*HEADER    TRANSCRIPTION                           16-MAY-11   2LD7              
*TITLE     SOLUTION STRUCTURE OF THE MSIN3A PAH3-SAP30 SID COMPLEX               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HISTONE DEACETYLASE COMPLEX SUBUNIT SAP30;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: INTERACTION WITH SIN3A REGION RESIDUES 130-220;            
*COMPND   5 SYNONYM: 30 KDA SIN3-ASSOCIATED POLYPEPTIDE, SIN3 COREPRESSOR COMPLEX
*COMPND   6 SUBUNIT SAP30, SIN3-ASSOCIATED POLYPEPTIDE P30;                      
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: PAIRED AMPHIPATHIC HELIX PROTEIN SIN3A;                    
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 FRAGMENT: PAH 3 DOMAIN RESIDUES 456-528;                             
*COMPND  12 SYNONYM: HISTONE DEACETYLASE COMPLEX SUBUNIT SIN3A, TRANSCRIPTIONAL  
*COMPND  13 COREPRESSOR SIN3A;                                                   
*COMPND  14 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: SAP30;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PMCSG23;                                   
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE  11 ORGANISM_COMMON: MOUSE;                                              
*SOURCE  12 ORGANISM_TAXID: 10090;                                               
*SOURCE  13 GENE: SIN3A, KIAA4126;                                               
*SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE  16 EXPRESSION_SYSTEM_VECTOR: PMCSG7                                     
*KEYWDS    TRANSCRIPTION                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.XIE, Y.HE, H.KORKEAMAKI, Y.ZHANG, R.IMHOFF, O.LOHI, I.RADHAKRISHNAN 
*REVDAT   1   15-JUN-11 2LD7    0                                                


! PAH3 helical hb restraints
assign (resid 463 and name O and segid PAH3) (resid 467 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 463 and name O and segid PAH3) (resid 467 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 464 and name O and segid PAH3) (resid 468 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 464 and name O and segid PAH3) (resid 468 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 465 and name O and segid PAH3) (resid 469 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 465 and name O and segid PAH3) (resid 469 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 466 and name O and segid PAH3) (resid 470 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 466 and name O and segid PAH3) (resid 470 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 467 and name O and segid PAH3) (resid 471 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 467 and name O and segid PAH3) (resid 471 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 468 and name O and segid PAH3) (resid 472 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 468 and name O and segid PAH3) (resid 472 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 469 and name O and segid PAH3) (resid 473 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 469 and name O and segid PAH3) (resid 473 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 470 and name O and segid PAH3) (resid 474 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 470 and name O and segid PAH3) (resid 474 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 471 and name O and segid PAH3) (resid 475 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 471 and name O and segid PAH3) (resid 475 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 478 and name O and segid PAH3) (resid 482 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 478 and name O and segid PAH3) (resid 482 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 479 and name O and segid PAH3) (resid 483 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 479 and name O and segid PAH3) (resid 483 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 480 and name O and segid PAH3) (resid 484 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 480 and name O and segid PAH3) (resid 484 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 481 and name O and segid PAH3) (resid 485 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 481 and name O and segid PAH3) (resid 485 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 482 and name O and segid PAH3) (resid 486 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 482 and name O and segid PAH3) (resid 486 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 483 and name O and segid PAH3) (resid 487 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 483 and name O and segid PAH3) (resid 487 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 484 and name O and segid PAH3) (resid 488 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 484 and name O and segid PAH3) (resid 488 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 485 and name O and segid PAH3) (resid 489 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 485 and name O and segid PAH3) (resid 489 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 486 and name O and segid PAH3) (resid 490 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 486 and name O and segid PAH3) (resid 490 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 487 and name O and segid PAH3) (resid 491 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 487 and name O and segid PAH3) (resid 491 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 488 and name O and segid PAH3) (resid 492 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 488 and name O and segid PAH3) (resid 492 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 498 and name O and segid PAH3) (resid 502 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 498 and name O and segid PAH3) (resid 502 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 499 and name O and segid PAH3) (resid 503 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 499 and name O and segid PAH3) (resid 503 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 500 and name O and segid PAH3) (resid 504 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 500 and name O and segid PAH3) (resid 504 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 513 and name O and segid PAH3) (resid 517 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 513 and name O and segid PAH3) (resid 517 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 514 and name O and segid PAH3) (resid 518 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 514 and name O and segid PAH3) (resid 518 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 515 and name O and segid PAH3) (resid 519 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 515 and name O and segid PAH3) (resid 519 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 516 and name O and segid PAH3) (resid 520 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 516 and name O and segid PAH3) (resid 520 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 517 and name O and segid PAH3) (resid 521 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 517 and name O and segid PAH3) (resid 521 and name N  and segid PAH3) 2.90 0.20 0.20
assign (resid 518 and name O and segid PAH3) (resid 522 and name HN and segid PAH3) 1.90 0.20 0.20
assign (resid 518 and name O and segid PAH3) (resid 522 and name N  and segid PAH3) 2.90 0.20 0.20
! SAP30 helical hb restraints
assign (resid 155 and name O and segid SAP ) (resid 159 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 155 and name O and segid SAP ) (resid 159 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 156 and name O and segid SAP ) (resid 160 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 156 and name O and segid SAP ) (resid 160 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 157 and name O and segid SAP ) (resid 161 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 157 and name O and segid SAP ) (resid 161 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 158 and name O and segid SAP ) (resid 162 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 158 and name O and segid SAP ) (resid 162 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 159 and name O and segid SAP ) (resid 163 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 159 and name O and segid SAP ) (resid 163 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 160 and name O and segid SAP ) (resid 164 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 160 and name O and segid SAP ) (resid 164 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 161 and name O and segid SAP ) (resid 165 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 161 and name O and segid SAP ) (resid 165 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 175 and name O and segid SAP ) (resid 179 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 175 and name O and segid SAP ) (resid 179 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 176 and name O and segid SAP ) (resid 180 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 176 and name O and segid SAP ) (resid 180 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 177 and name O and segid SAP ) (resid 181 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 177 and name O and segid SAP ) (resid 181 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 178 and name O and segid SAP ) (resid 182 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 178 and name O and segid SAP ) (resid 182 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 179 and name O and segid SAP ) (resid 183 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 179 and name O and segid SAP ) (resid 183 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 180 and name O and segid SAP ) (resid 184 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 180 and name O and segid SAP ) (resid 184 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 181 and name O and segid SAP ) (resid 185 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 181 and name O and segid SAP ) (resid 185 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 182 and name O and segid SAP ) (resid 186 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 182 and name O and segid SAP ) (resid 186 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 193 and name O and segid SAP ) (resid 197 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 193 and name O and segid SAP ) (resid 197 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 194 and name O and segid SAP ) (resid 198 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 194 and name O and segid SAP ) (resid 198 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 195 and name O and segid SAP ) (resid 199 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 195 and name O and segid SAP ) (resid 199 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 196 and name O and segid SAP ) (resid 200 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 196 and name O and segid SAP ) (resid 200 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 197 and name O and segid SAP ) (resid 201 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 197 and name O and segid SAP ) (resid 201 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 198 and name O and segid SAP ) (resid 202 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 198 and name O and segid SAP ) (resid 202 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 199 and name O and segid SAP ) (resid 203 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 199 and name O and segid SAP ) (resid 203 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 200 and name O and segid SAP ) (resid 204 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 200 and name O and segid SAP ) (resid 204 and name N  and segid SAP ) 2.90 0.20 0.20
assign (resid 201 and name O and segid SAP ) (resid 205 and name HN and segid SAP ) 1.90 0.20 0.20
assign (resid 201 and name O and segid SAP ) (resid 205 and name N  and segid SAP ) 2.90 0.20 0.20
 ASSI {    2}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "SAP" and resid 145  and name HB  ))
      3.900     1.900     1.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.24250E-03 ppm1      4.092 ppm2      1.653 CV     1
 OR {    2}
   (( segid "PAH3" and resid 476  and name HG2 ))
   (( segid "SAP" and resid 145  and name HB  ))
 ASSI {    9}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "SAP" and resid 145  and name HG2%)
      3.000     3.000     3.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.94725E-03 ppm1      1.234 ppm2      7.224 CV     1
 OR {    9}
   (( segid "PAH3" and resid 483  and name HD22))
   (  segid "SAP" and resid 145  and name HG2%)
 ASSI {   28}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "SAP" and resid 148  and name HA  ))
      4.500     2.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.52287E-03 ppm1      3.917 ppm2      7.161 CV     1
 OR {   28}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "SAP" and resid 148  and name HA  ))
 ASSI {   29}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "SAP" and resid 148  and name HB  ))
      3.800     1.800     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1      1.833 ppm2      0.824 CV     1
 OR {   29}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "SAP" and resid 148  and name HB  ))
 OR {   29}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "SAP" and resid 148  and name HB  ))
 ASSI {   31}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (  segid "SAP" and resid 148  and name HG1%)
      4.300     2.300     1.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.10344E-02 ppm1      0.981 ppm2      3.641 CV     1
 OR {   31}
   (( segid "PAH3" and resid 484  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {   32}
   (( segid "PAH3" and resid 483  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
      4.000     2.000     2.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.15687E-02 ppm1      0.978 ppm2      4.488 CV     1
 OR {   32}
   (( segid "PAH3" and resid 480  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {   33}
   (( segid "PAH3" and resid 487  and name HG  ))
   (  segid "SAP" and resid 148  and name HG1%)
      3.300     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.43952E-02 ppm1      0.978 ppm2      3.103 CV     1
 OR {   33}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {   35}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
      4.700     2.800     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.65549E-03 ppm1      0.978 ppm2      4.250 CV     1
 OR {   35}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG1%)
 OR {   35}
   (( segid "PAH3" and resid 507  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {   41}
   (( segid "PAH3" and resid 487  and name HG  ))
   (  segid "SAP" and resid 148  and name HG2%)
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      0.678 ppm2      3.111 CV     1
 OR {   41}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG2%)
 ASSI {   44}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG2%)
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.52666E-02 ppm1      0.677 ppm2      1.980 CV     1
 OR {   44}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (  segid "SAP" and resid 148  and name HG2%)
 OR {   44}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "SAP" and resid 148  and name HG2%)
 ASSI {   56}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "SAP" and resid 152  and name HG1 ))
      4.300     2.300     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.48119E-03 ppm1      2.322 ppm2      0.837 CV     1
 OR {   56}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "SAP" and resid 152  and name HG1 ))
 ASSI {   59}
   (( segid "PAH3" and resid 500  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
      4.400     2.400     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15194E-02 ppm1      0.892 ppm2      4.002 CV     1
 OR {   59}
   (( segid "PAH3" and resid 501  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {   63}
   (  segid "PAH3" and resid 495  and name HG1%)
   (  segid "SAP" and resid 157  and name HG2%)
      3.200     1.300     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.43952E-02 ppm1      1.451 ppm2      0.947 CV     1
 OR {   63}
   (  segid "PAH3" and resid 496  and name HD1%)
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {   79}
   (( segid "PAH3" and resid 489  and name HB  ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.800     2.900     1.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.37283E-03 ppm1      0.695 ppm2      2.435 CV     1
 OR {   79}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {   80}
   (  segid "PAH3" and resid 490  and name HD1%)
   (  segid "SAP" and resid 189  and name HD1%)
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.21370E-02 ppm1      0.691 ppm2      1.090 CV     1
 OR {   80}
   (  segid "PAH3" and resid 489  and name HG1%)
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {   82}
   (( segid "PAH3" and resid 490  and name HA  ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.400     2.400     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.55318E-03 ppm1      0.688 ppm2      4.095 CV     1
 OR {   82}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {   91}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (( segid "SAP" and resid 191  and name HB  ))
      4.500     2.600     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.61381E-03 ppm1      1.795 ppm2      2.454 CV     1
 OR {   91}
   (( segid "PAH3" and resid 489  and name HB  ))
   (( segid "SAP" and resid 191  and name HB  ))
 ASSI {   96}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.200     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.38269E-02 ppm1      0.743 ppm2      1.938 CV     1
 OR {   96}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  103}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "SAP" and resid 191  and name HG2%)
      4.400     2.400     1.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.76161E-03 ppm1      0.673 ppm2      6.927 CV     1
 OR {  103}
   (( segid "PAH3" and resid 488  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  106}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.700     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.20498E-02 ppm1      0.671 ppm2      2.456 CV     1
 OR {  106}
   (( segid "PAH3" and resid 489  and name HB  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  108}
   (( segid "PAH3" and resid 486  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.20726E-02 ppm1      0.674 ppm2      3.470 CV     1
 OR {  108}
   (( segid "PAH3" and resid 485  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  135}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "SAP" and resid 197  and name HD1%)
      3.600     1.600     1.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.76535E-03 ppm1      0.604 ppm2      0.215 CV     1
 OR {  135}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI {  142}
   (  segid "PAH3" and resid 488  and name HD2%)
   (  segid "SAP" and resid 197  and name HD2%)
      3.200     1.300     1.300 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13261E-02 ppm1     -0.044 ppm2      0.017 CV     1
 OR {  142}
   (  segid "PAH3" and resid 471  and name HG2%)
   (  segid "SAP" and resid 197  and name HD2%)
 ASSI {  169}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.100     1.200     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.54182E-02 ppm1      0.320 ppm2      7.261 CV     1
 OR {  169}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "SAP" and resid 204  and name HG1%)
 ASSI {  172}
   (  segid "PAH3" and resid 522  and name HE% )
   (  segid "SAP" and resid 204  and name HG2%)
      2.700     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.44331E-02 ppm1     -0.012 ppm2      7.105 CV     1
 OR {  172}
   (  segid "PAH3" and resid 491  and name HE% )
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {  173}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "SAP" and resid 204  and name HG2%)
      3.200     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.34669E-02 ppm1     -0.010 ppm2      7.244 CV     1
 OR {  173}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {  180}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "SAP" and resid 148  and name HB  ))
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20422E-02 ppm1      1.831 ppm2      7.152 CV     1
 OR {  180}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "SAP" and resid 148  and name HB  ))
 ASSI {  188}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "SAP" and resid 147  and name HB2 ))
      3.600     1.700     1.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.85630E-03 ppm1      1.753 ppm2      7.156 CV     1
 OR {  188}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "SAP" and resid 208  and name HB2 ))
 ASSI {  197}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "SAP" and resid 146  and name HB1 ))
      4.000     2.000     2.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.15004E-02 ppm1      1.759 ppm2      4.257 CV     1
 OR {  197}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "SAP" and resid 146  and name HB1 ))
 ASSI {  199}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "SAP" and resid 146  and name HB2 ))
      4.500     2.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.93208E-03 ppm1      1.059 ppm2      4.252 CV     1
 OR {  199}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "SAP" and resid 146  and name HB2 ))
 ASSI {  239}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG2 ))
      4.500     2.600     1.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.52287E-03 ppm1      1.877 ppm2      1.495 CV     1
 OR {  239}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "SAP" and resid 146  and name HG1 ))
 OR {  239}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {  253}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD1%)
      4.300     2.300     1.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.77297E-03 ppm1      0.601 ppm2      0.981 CV     1
 OR {  253}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI {  256}
   (( segid "PAH3" and resid 465  and name HA  ))
   (  segid "SAP" and resid 197  and name HD1%)
      4.000     2.000     2.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.70096E-03 ppm1      0.605 ppm2      4.307 CV     1
 OR {  256}
   (( segid "PAH3" and resid 469  and name HA  ))
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI {  258}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "SAP" and resid 153  and name HD2%)
      4.800     2.800     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.33797E-03 ppm1      0.754 ppm2      2.280 CV     1
 OR {  258}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (  segid "SAP" and resid 153  and name HD2%)
 ASSI {  265}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (  segid "SAP" and resid 157  and name HG2%)
      4.300     2.300     1.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.74642E-03 ppm1      1.444 ppm2      1.746 CV     1
 OR {  265}
   (( segid "PAH3" and resid 496  and name HG11))
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  267}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "SAP" and resid 157  and name HG2%)
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.68201E-03 ppm1      1.450 ppm2      2.277 CV     1
 OR {  267}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  268}
   (( segid "PAH3" and resid 500  and name HA  ))
   (  segid "SAP" and resid 157  and name HG2%)
      5.100     3.300     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.34101E-03 ppm1      1.454 ppm2      4.022 CV     1
 OR {  268}
   (( segid "PAH3" and resid 497  and name HB2 ))
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  296}
   (( segid "PAH3" and resid 488  and name HN  ))
   (  segid "SAP" and resid 196  and name HG2%)
      4.600     2.600     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.89037E-03 ppm1      1.047 ppm2      6.938 CV     1
 OR {  296}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "SAP" and resid 196  and name HG2%)
 ASSI {  297}
   (( segid "PAH3" and resid 491  and name HN  ))
   (  segid "SAP" and resid 196  and name HG2%)
      4.000     2.000     2.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      1.046 ppm2      7.804 CV     1
 OR {  297}
   (( segid "PAH3" and resid 484  and name HN  ))
   (  segid "SAP" and resid 196  and name HG2%)
 ASSI {  301}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "SAP" and resid 204  and name HG1%)
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      0.324 ppm2      7.461 CV     1
 OR {  301}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "SAP" and resid 204  and name HG1%)
 ASSI {  306}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "SAP" and resid 191  and name HG2%)
      3.200     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.83358E-03 ppm1      0.677 ppm2      0.216 CV     1
 OR {  306}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  308}
   (( segid "PAH3" and resid 486  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.400     1.400     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.23605E-02 ppm1      0.676 ppm2      8.165 CV     1
 OR {  308}
   (( segid "PAH3" and resid 485  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  337}
   (( segid "PAH3" and resid 500  and name HN  ))
   (  segid "SAP" and resid 153  and name HD1%)
      5.100     3.300     0.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.51529E-03 ppm1      0.892 ppm2      7.822 CV     1
 OR {  337}
   (( segid "PAH3" and resid 483  and name HD21))
   (  segid "SAP" and resid 153  and name HD1%)
 OR {  337}
   (( segid "PAH3" and resid 491  and name HN  ))
   (  segid "SAP" and resid 153  and name HD1%)
 OR {  337}
   (( segid "PAH3" and resid 502  and name HN  ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  339}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "SAP" and resid 153  and name HD1%)
      3.600     1.600     1.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.22961E-02 ppm1      0.896 ppm2      2.279 CV     1
 OR {  339}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  341}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (  segid "SAP" and resid 153  and name HD1%)
      4.500     2.600     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15080E-02 ppm1      0.888 ppm2      1.727 CV     1
 OR {  341}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  342}
   (  segid "PAH3" and resid 504  and name HD1%)
   (  segid "SAP" and resid 153  and name HD1%)
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.55318E-02 ppm1      0.897 ppm2      0.831 CV     1
 OR {  342}
   (  segid "PAH3" and resid 496  and name HG2%)
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  345}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG1%)
      4.800     2.900     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.64412E-03 ppm1      0.976 ppm2      2.218 CV     1
 OR {  345}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG1%)
 OR {  345}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {  346}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 148  and name HG1%)
      3.900     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14853E-02 ppm1      0.978 ppm2      1.968 CV     1
 OR {  346}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (  segid "SAP" and resid 148  and name HG1%)
 OR {  346}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (  segid "SAP" and resid 148  and name HG1%)
 ASSI {  354}
   (( segid "PAH3" and resid 483  and name HN  ))
   (  segid "SAP" and resid 191  and name HG1%)
      4.600     2.700     1.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.39405E-03 ppm1      0.743 ppm2      7.832 CV     1
 OR {  354}
   (( segid "PAH3" and resid 484  and name HN  ))
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  356}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "SAP" and resid 191  and name HG1%)
      4.100     2.100     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.78814E-03 ppm1      0.747 ppm2      6.916 CV     1
 OR {  356}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  357}
   (( segid "PAH3" and resid 481  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
      4.800     2.800     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.60244E-03 ppm1      0.748 ppm2      4.091 CV     1
 OR {  357}
   (( segid "PAH3" and resid 479  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  360}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "SAP" and resid 191  and name HG1%)
      3.900     1.900     1.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.37890E-03 ppm1      0.741 ppm2      0.217 CV     1
 OR {  360}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  371}
   (( segid "PAH3" and resid 462  and name HA1 ))
   (  segid "SAP" and resid 201  and name HG2%)
      4.700     2.700     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.35124E-03 ppm1      1.026 ppm2      4.273 CV     1
 OR {  371}
   (( segid "PAH3" and resid 461  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
 OR {  371}
   (( segid "PAH3" and resid 463  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
 ASSI {  386}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 148  and name HA  ))
      4.800     2.900     1.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.41679E-03 ppm1      3.917 ppm2      7.206 CV     1
 OR {  386}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "SAP" and resid 148  and name HA  ))
 ASSI {  403}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "SAP" and resid 143  and name HD1%)
      4.900     3.000     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28341E-03 ppm1      0.860 ppm2      7.204 CV     1
 OR {  403}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "SAP" and resid 143  and name HD1%)
 ASSI {  407}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "SAP" and resid 193  and name HA  ))
      5.000     3.200     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.14474E-03 ppm1      3.532 ppm2      0.231 CV     1
 OR {  407}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "SAP" and resid 193  and name HA  ))
 ASSI {  413}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 162  and name HA  ))
      3.700     1.700     1.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.28189E-03 ppm1      3.958 ppm2      0.908 CV     1
 OR {  413}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 164  and name HA  ))
 ASSI {  417}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "SAP" and resid 197  and name HA  ))
      4.300     2.400     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.13489E-03 ppm1      3.845 ppm2      0.015 CV     1
 OR {  417}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "SAP" and resid 197  and name HA  ))
 ASSI {  430}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "SAP" and resid 197  and name HD1%)
      5.300     3.500     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.31827E-03 ppm1      0.601 ppm2      6.932 CV     1
 OR {  430}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI {  436}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.200     2.200     1.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15876E-03 ppm1      0.905 ppm2      3.785 CV     1
 OR {  436}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  443}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "SAP" and resid 152  and name HB1 ))
      3.700     1.700     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.90555E-03 ppm1      2.139 ppm2      2.444 CV     1
 OR {  443}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (( segid "SAP" and resid 154  and name HB2 ))
 ASSI {  448}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "SAP" and resid 143  and name HG2%)
      3.900     1.900     1.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.45847E-03 ppm1      0.906 ppm2      7.278 CV     1
 OR {  448}
   (( segid "PAH3" and resid 508  and name HN  ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  450}
   (( segid "PAH3" and resid 483  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
      4.600     2.700     1.400 peak   450 spectrum    1 weight  0.10000E+01 volume  0.43952E-03 ppm1      0.679 ppm2      7.829 CV     1
 OR {  450}
   (( segid "PAH3" and resid 484  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
 OR {  450}
   (( segid "PAH3" and resid 481  and name HN  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  452}
   (( segid "PAH3" and resid 483  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      5.500     3.800     0.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.61381E-03 ppm1      0.680 ppm2      4.490 CV     1
 OR {  452}
   (( segid "PAH3" and resid 480  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
 ASSI {  454}
   (( segid "PAH3" and resid 479  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
      4.600     2.700     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.48877E-03 ppm1      0.676 ppm2      4.099 CV     1
 OR {  454}
   (( segid "PAH3" and resid 481  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
 OR {  454}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  457}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "SAP" and resid 199  and name HB1 ))
      5.000     3.100     1.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.38269E-03 ppm1      3.159 ppm2      1.034 CV     1
 OR {  457}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "SAP" and resid 199  and name HB1 ))
 ASSI {  458}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      4.400     2.400     1.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.73127E-03 ppm1      0.679 ppm2      4.097 CV     1
 OR {  458}
   (( segid "PAH3" and resid 503  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
 ASSI {  459}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.400     2.400     1.600 peak   459 spectrum    1 weight  0.10000E+01 volume  0.78433E-03 ppm1     -0.029 ppm2      1.790 CV     1
 OR {  459}
   (( segid "PAH3" and resid 471  and name HB  ))
   (  segid "SAP" and resid 197  and name HD2%)
 OR {  459}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {  473}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "SAP" and resid 209  and name HB2 ))
      4.400     2.500     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.13829E-03 ppm1      2.679 ppm2      3.920 CV     1
 OR {  473}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "SAP" and resid 161  and name HB2 ))
 ASSI {  476}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.800     2.800     3.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      0.746 ppm2      1.822 CV     1
 OR {  476}
   (( segid "PAH3" and resid 475  and name HG  ))
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  283}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "SAP" and resid 148  and name HN  ))
      3.400     1.500     1.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13906E-02 ppm1      8.602 ppm2      7.160 CV     1
 OR {  283}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "SAP" and resid 148  and name HN  ))
 ASSI {  286}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 204  and name HN  ))
      4.000     2.000     2.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.11556E-02 ppm1      7.836 ppm2      7.106 CV     1
 OR {  286}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "SAP" and resid 204  and name HN  ))
 ASSI {  313}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "SAP" and resid 152  and name HE22))
      5.000     3.100     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.24477E-03 ppm1      6.644 ppm2      1.971 CV     1
 OR {  313}
   (( segid "PAH3" and resid 504  and name HG  ))
   (( segid "SAP" and resid 152  and name HE22))
 OR {  313}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "SAP" and resid 152  and name HE22))
 ASSI {  315}
   (( segid "PAH3" and resid 503  and name HB2 ))
   (( segid "SAP" and resid 152  and name HE22))
      4.700     2.700     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.34859E-03 ppm1      6.642 ppm2      2.229 CV     1
 OR {  315}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 152  and name HE22))
 ASSI {  317}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 165  and name HN  ))
      3.400     1.500     1.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.62139E-03 ppm1      7.795 ppm2      0.930 CV     1
 OR {  317}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "SAP" and resid 152  and name HE21))
 ASSI {  469}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 162  and name HN  ))
      3.000     3.000     3.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.94725E-03 ppm1      8.221 ppm2      0.924 CV     1
 OR {  469}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {  477}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 162  and name HN  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17732E-03 ppm1      8.215 ppm2      0.282 CV     1
 OR {  477}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {   38}
   (( segid "SAP" and resid 210  and name HG2 ))
   (( segid "SAP" and resid 210  and name HA  ))
      2.600     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.49210E-02 ppm1      4.271 ppm2      1.381 CV     1
 OR {   38}
   (( segid "SAP" and resid 214  and name HG2 ))
   (( segid "SAP" and resid 214  and name HA  ))
 OR {   38}
   (( segid "SAP" and resid 210  and name HG1 ))
   (( segid "SAP" and resid 210  and name HA  ))
 OR {   38}
   (( segid "SAP" and resid 214  and name HG1 ))
   (( segid "SAP" and resid 214  and name HA  ))
 ASSI {   39}
   (( segid "SAP" and resid 214  and name HB1 ))
   (( segid "SAP" and resid 214  and name HA  ))
      2.300     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.88514E-02 ppm1      4.271 ppm2      1.847 CV     1
 OR {   39}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 210  and name HA  ))
 ASSI {   42}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 177  and name HA  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      4.083 ppm2      2.404 CV     1
 OR {   42}
   (( segid "SAP" and resid 180  and name HG1 ))
   (( segid "SAP" and resid 177  and name HA  ))
 ASSI {   47}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 162  and name HE2 ))
      2.600     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.52726E-02 ppm1      2.932 ppm2      0.819 CV     1
 OR {   47}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 162  and name HE2 ))
 OR {   47}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 162  and name HE1 ))
 OR {   47}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 162  and name HE1 ))
 ASSI {  126}
   (( segid "SAP" and resid 208  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG2%)
      3.300     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.22113E-02 ppm1     -0.038 ppm2      1.823 CV     1
 OR {  126}
   (( segid "SAP" and resid 205  and name HG1 ))
   (  segid "SAP" and resid 204  and name HG2%)
 OR {  126}
   (( segid "SAP" and resid 205  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG2%)
 OR {  126}
   (( segid "SAP" and resid 205  and name HB2 ))
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {  129}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HB1 ))
      3.900     1.900     1.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.67425E-03 ppm1      1.834 ppm2      2.946 CV     1
 OR {  129}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HB1 ))
 OR {  129}
   (( segid "SAP" and resid 210  and name HE1 ))
   (( segid "SAP" and resid 210  and name HB1 ))
 OR {  129}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HB1 ))
 OR {  129}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 208  and name HB1 ))
 ASSI {  132}
   (( segid "SAP" and resid 194  and name HA  ))
   (  segid "SAP" and resid 197  and name HD2%)
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1     -0.045 ppm2      3.953 CV     1
 OR {  132}
   (( segid "SAP" and resid 203  and name HB2 ))
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {  139}
   (( segid "SAP" and resid 208  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.600     1.600     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      0.316 ppm2      1.826 CV     1
 OR {  139}
   (( segid "SAP" and resid 205  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG1%)
 OR {  139}
   (( segid "SAP" and resid 205  and name HG1 ))
   (  segid "SAP" and resid 204  and name HG1%)
 OR {  139}
   (( segid "SAP" and resid 205  and name HB2 ))
   (  segid "SAP" and resid 204  and name HG1%)
 ASSI {  168}
   (( segid "SAP" and resid 198  and name HA  ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.20611E-02 ppm1      1.035 ppm2      3.859 CV     1
 OR {  168}
   (( segid "SAP" and resid 197  and name HA  ))
   (  segid "SAP" and resid 201  and name HD1%)
 ASSI {  170}
   (( segid "SAP" and resid 210  and name HA  ))
   (( segid "SAP" and resid 210  and name HB2 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.66466E-02 ppm1      1.736 ppm2      4.273 CV     1
 OR {  170}
   (( segid "SAP" and resid 214  and name HA  ))
   (( segid "SAP" and resid 214  and name HB2 ))
 ASSI {  190}
   (( segid "SAP" and resid 171  and name HB1 ))
   (( segid "SAP" and resid 171  and name HA  ))
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.12654E-01 ppm1      4.467 ppm2      2.269 CV     1
 OR {  190}
   (( segid "SAP" and resid 139  and name HB1 ))
   (( segid "SAP" and resid 139  and name HA  ))
 ASSI {  191}
   (( segid "SAP" and resid 139  and name HB2 ))
   (( segid "SAP" and resid 139  and name HA  ))
      2.700     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.57838E-02 ppm1      4.472 ppm2      1.876 CV     1
 OR {  191}
   (( segid "SAP" and resid 171  and name HB2 ))
   (( segid "SAP" and resid 171  and name HA  ))
 ASSI {  207}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 141  and name HG1 ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.71260E-03 ppm1      2.308 ppm2      0.900 CV     1
 OR {  207}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 141  and name HG1 ))
 OR {  207}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 141  and name HG2 ))
 OR {  207}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 141  and name HG2 ))
 OR {  207}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 152  and name HG1 ))
 ASSI {  208}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 144  and name HB2 ))
      5.100     3.200     0.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.14507E-03 ppm1      2.547 ppm2      0.892 CV     1
 OR {  208}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 142  and name HB2 ))
 ASSI {  220}
   (( segid "SAP" and resid 175  and name HB1 ))
   (( segid "SAP" and resid 175  and name HG1 ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23040E-02 ppm1      1.156 ppm2      1.860 CV     1
 OR {  220}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 143  and name HG12))
 OR {  220}
   (( segid "SAP" and resid 175  and name HB2 ))
   (( segid "SAP" and resid 175  and name HG1 ))
 ASSI {  221}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 143  and name HG12))
      4.500     2.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      1.154 ppm2      2.042 CV     1
 OR {  221}
   (( segid "SAP" and resid 155  and name HB  ))
   (( segid "SAP" and resid 175  and name HG1 ))
 OR {  221}
   (( segid "SAP" and resid 158  and name HB1 ))
   (( segid "SAP" and resid 175  and name HG1 ))
 ASSI {  229}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HB2 ))
      3.800     1.800     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.75414E-03 ppm1      1.734 ppm2      2.942 CV     1
 OR {  229}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 OR {  229}
   (( segid "SAP" and resid 210  and name HE1 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 OR {  229}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HB2 ))
 OR {  229}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 208  and name HB2 ))
 ASSI {  235}
   (( segid "SAP" and resid 143  and name HB  ))
   (  segid "SAP" and resid 143  and name HG2%)
      2.500     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47933E-02 ppm1      0.895 ppm2      1.870 CV     1
 OR {  235}
   (( segid "SAP" and resid 146  and name HG1 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  257}
   (( segid "SAP" and resid 144  and name HB1 ))
   (  segid "SAP" and resid 145  and name HG2%)
      4.300     2.300     1.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.47613E-03 ppm1      1.213 ppm2      2.640 CV     1
 OR {  257}
   (( segid "SAP" and resid 195  and name HB1 ))
   (  segid "SAP" and resid 198  and name HG2%)
 ASSI {  258}
   (( segid "SAP" and resid 144  and name HB2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      4.300     2.300     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.62312E-03 ppm1      1.216 ppm2      2.542 CV     1
 OR {  258}
   (( segid "SAP" and resid 195  and name HB2 ))
   (  segid "SAP" and resid 198  and name HG2%)
 ASSI {  259}
   (( segid "SAP" and resid 199  and name HB1 ))
   (( segid "SAP" and resid 199  and name HA  ))
      2.400     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.78926E-02 ppm1      4.213 ppm2      3.159 CV     1
 OR {  259}
   (( segid "SAP" and resid 202  and name HB2 ))
   (( segid "SAP" and resid 199  and name HA  ))
 ASSI {  270}
   (( segid "SAP" and resid 145  and name HA  ))
   (( segid "SAP" and resid 146  and name HD2 ))
      2.100     0.600     0.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11248E-01 ppm1      3.688 ppm2      4.572 CV     1
 OR {  270}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 168  and name HD2 ))
 ASSI {  279}
   (( segid "SAP" and resid 139  and name HG1 ))
   (( segid "SAP" and resid 139  and name HD1 ))
      2.300     0.700     0.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.81168E-02 ppm1      3.769 ppm2      1.983 CV     1
 OR {  279}
   (( segid "SAP" and resid 171  and name HG2 ))
   (( segid "SAP" and resid 171  and name HD1 ))
 OR {  279}
   (( segid "SAP" and resid 139  and name HG2 ))
   (( segid "SAP" and resid 139  and name HD1 ))
 OR {  279}
   (( segid "SAP" and resid 171  and name HG1 ))
   (( segid "SAP" and resid 171  and name HD1 ))
 ASSI {  302}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 148  and name HB  ))
      4.000     2.000     2.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.26842E-03 ppm1      1.817 ppm2      0.441 CV     1
 OR {  302}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 175  and name HB1 ))
 OR {  302}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 175  and name HB2 ))
 ASSI {  311}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 178  and name HB2 ))
      2.400     0.700     0.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.70301E-02 ppm1      1.576 ppm2      0.812 CV     1
 OR {  311}
   (  segid "SAP" and resid 213  and name HD2%)
   (( segid "SAP" and resid 213  and name HB2 ))
 OR {  311}
   (  segid "SAP" and resid 213  and name HD2%)
   (( segid "SAP" and resid 213  and name HB1 ))
 ASSI {  314}
   (  segid "SAP" and resid 201  and name HD1%)
   (  segid "SAP" and resid 197  and name HD2%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.45057E-02 ppm1     -0.050 ppm2      1.041 CV     1
 OR {  314}
   (  segid "SAP" and resid 196  and name HG2%)
   (  segid "SAP" and resid 197  and name HD2%)
 ASSI {  317}
   (( segid "SAP" and resid 201  and name HG11))
   (  segid "SAP" and resid 197  and name HD2%)
      3.700     1.700     1.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.73816E-03 ppm1     -0.049 ppm2      2.219 CV     1
 OR {  317}
   (( segid "SAP" and resid 193  and name HG1 ))
   (  segid "SAP" and resid 197  and name HD2%)
 ASSI {  322}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 164  and name HA  ))
      2.600     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.60075E-02 ppm1      3.949 ppm2      2.941 CV     1
 OR {  322}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HA  ))
 OR {  322}
   (( segid "SAP" and resid 194  and name HE2 ))
   (( segid "SAP" and resid 194  and name HA  ))
 ASSI {  357}
   (( segid "SAP" and resid 186  and name HB1 ))
   (  segid "SAP" and resid 150  and name HD1%)
      3.500     1.500     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.13965E-02 ppm1      0.443 ppm2      3.344 CV     1
 OR {  357}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 150  and name HD1%)
 ASSI {  369}
   (( segid "SAP" and resid 183  and name HA1 ))
   (  segid "SAP" and resid 150  and name HD2%)
      4.100     2.100     1.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.80525E-03 ppm1      0.193 ppm2      3.935 CV     1
 OR {  369}
   (( segid "SAP" and resid 148  and name HA  ))
   (  segid "SAP" and resid 150  and name HD2%)
 ASSI {  376}
   (  segid "SAP" and resid 148  and name HG2%)
   (  segid "SAP" and resid 150  and name HD2%)
      2.400     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.84359E-02 ppm1      0.195 ppm2      0.658 CV     1
 OR {  376}
   (  segid "SAP" and resid 158  and name HD2%)
   (  segid "SAP" and resid 150  and name HD2%)
 ASSI {  378}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 197  and name HA  ))
      3.400     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.89792E-03 ppm1      3.827 ppm2      1.039 CV     1
 OR {  378}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 197  and name HA  ))
 ASSI {  394}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 180  and name HB2 ))
      2.100     0.500     0.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.16009E-01 ppm1      2.146 ppm2      4.011 CV     1
 OR {  394}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 160  and name HB2 ))
 OR {  394}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 180  and name HB1 ))
 ASSI {  398}
   (( segid "SAP" and resid 157  and name HB  ))
   (  segid "SAP" and resid 153  and name HD1%)
      2.700     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.89157E-02 ppm1      0.888 ppm2      4.445 CV     1
 OR {  398}
   (( segid "SAP" and resid 153  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  407}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "SAP" and resid 153  and name HD1%)
      2.400     0.700     0.700 peak   407 spectrum    1 weight  0.10000E+01 volume  0.46335E-02 ppm1      0.886 ppm2      1.446 CV     1
 OR {  407}
   (  segid "SAP" and resid 157  and name HG2%)
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  411}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "SAP" and resid 153  and name HD2%)
      3.400     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.24733E-02 ppm1      0.752 ppm2      0.454 CV     1
 OR {  411}
   (  segid "SAP" and resid 179  and name HG2%)
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI {  415}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 154  and name HA  ))
      4.800     2.800     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.35151E-03 ppm1      4.263 ppm2      1.052 CV     1
 OR {  415}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 154  and name HA  ))
 OR {  415}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 173  and name HA  ))
 ASSI {  421}
   (( segid "SAP" and resid 154  and name HA  ))
   (( segid "SAP" and resid 154  and name HG1 ))
      2.500     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.58158E-02 ppm1      2.611 ppm2      4.262 CV     1
 OR {  421}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 177  and name HG1 ))
 OR {  421}
   (( segid "SAP" and resid 154  and name HA  ))
   (( segid "SAP" and resid 154  and name HG2 ))
 ASSI {  423}
   (( segid "SAP" and resid 175  and name HD1 ))
   (( segid "SAP" and resid 155  and name HA  ))
      3.200     1.300     1.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.14156E-02 ppm1      3.619 ppm2      1.558 CV     1
 OR {  423}
   (( segid "SAP" and resid 175  and name HD2 ))
   (( segid "SAP" and resid 155  and name HA  ))
 OR {  423}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 155  and name HA  ))
 OR {  423}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 155  and name HA  ))
 ASSI {  433}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 155  and name HB  ))
      4.000     2.000     2.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.89157E-03 ppm1      2.083 ppm2      0.683 CV     1
 OR {  433}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 190  and name HB1 ))
 ASSI {  441}
   (( segid "SAP" and resid 175  and name HE2 ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.600     1.600     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.19077E-02 ppm1      1.042 ppm2      2.533 CV     1
 OR {  441}
   (( segid "SAP" and resid 195  and name HB2 ))
   (  segid "SAP" and resid 196  and name HG2%)
 ASSI {  445}
   (( segid "SAP" and resid 175  and name HD1 ))
   (  segid "SAP" and resid 155  and name HG1%)
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.10354E-01 ppm1      1.042 ppm2      1.556 CV     1
 OR {  445}
   (( segid "SAP" and resid 175  and name HD2 ))
   (  segid "SAP" and resid 155  and name HG1%)
 OR {  445}
   (( segid "SAP" and resid 159  and name HG2 ))
   (  segid "SAP" and resid 155  and name HG1%)
 ASSI {  453}
   (( segid "SAP" and resid 156  and name HA  ))
   (  segid "SAP" and resid 155  and name HG2%)
      3.200     1.300     1.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.23359E-02 ppm1      0.949 ppm2      4.446 CV     1
 OR {  453}
   (( segid "SAP" and resid 139  and name HA  ))
   (  segid "SAP" and resid 140  and name HG2%)
 ASSI {  464}
   (( segid "SAP" and resid 139  and name HB2 ))
   (  segid "SAP" and resid 140  and name HG2%)
      2.600     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.67744E-02 ppm1      0.948 ppm2      1.870 CV     1
 OR {  464}
   (( segid "SAP" and resid 159  and name HG1 ))
   (  segid "SAP" and resid 155  and name HG2%)
 ASSI {  465}
   (( segid "SAP" and resid 175  and name HD1 ))
   (  segid "SAP" and resid 155  and name HG2%)
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.58477E-02 ppm1      0.948 ppm2      1.554 CV     1
 OR {  465}
   (( segid "SAP" and resid 175  and name HD2 ))
   (  segid "SAP" and resid 155  and name HG2%)
 OR {  465}
   (( segid "SAP" and resid 178  and name HB2 ))
   (  segid "SAP" and resid 155  and name HG2%)
 ASSI {  475}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 157  and name HA  ))
      4.400     2.400     1.600 peak   475 spectrum    1 weight  0.10000E+01 volume  0.48252E-03 ppm1      4.146 ppm2      1.570 CV     1
 OR {  475}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 157  and name HA  ))
 ASSI {  492}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 158  and name HA  ))
      3.100     1.200     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.30102E-02 ppm1      3.930 ppm2      0.781 CV     1
 OR {  492}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 158  and name HA  ))
 OR {  492}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 158  and name HA  ))
 ASSI {  494}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 158  and name HB1 ))
      3.800     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.86280E-03 ppm1      2.078 ppm2      1.564 CV     1
 OR {  494}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 158  and name HB1 ))
 ASSI {  496}
   (( segid "SAP" and resid 194  and name HB1 ))
   (( segid "SAP" and resid 194  and name HA  ))
      1.900     0.500     0.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.27577E-01 ppm1      3.944 ppm2      1.898 CV     1
 OR {  496}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 159  and name HA  ))
 OR {  496}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 159  and name HA  ))
 OR {  496}
   (( segid "SAP" and resid 194  and name HB2 ))
   (( segid "SAP" and resid 194  and name HA  ))
 ASSI {  498}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 159  and name HA  ))
      2.700     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.36749E-02 ppm1      3.943 ppm2      0.781 CV     1
 OR {  498}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 162  and name HA  ))
 ASSI {  499}
   (( segid "SAP" and resid 162  and name HG2 ))
   (( segid "SAP" and resid 162  and name HA  ))
      2.300     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.89471E-02 ppm1      3.944 ppm2      1.493 CV     1
 OR {  499}
   (( segid "SAP" and resid 194  and name HG1 ))
   (( segid "SAP" and resid 194  and name HA  ))
 ASSI {  522}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 163  and name HG1 ))
      2.800     1.000     1.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      1.836 ppm2      4.162 CV     1
 OR {  522}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 205  and name HG1 ))
 ASSI {  525}
   (( segid "SAP" and resid 163  and name HG2 ))
   (( segid "SAP" and resid 163  and name HG1 ))
      1.600     0.300     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.36109E-01 ppm1      1.833 ppm2      1.600 CV     1
 OR {  525}
   (( segid "SAP" and resid 205  and name HG2 ))
   (( segid "SAP" and resid 205  and name HG1 ))
 ASSI {  541}
   (( segid "SAP" and resid 185  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD1%)
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      0.872 ppm2      3.321 CV     1
 OR {  541}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI {  553}
   (( segid "SAP" and resid 170  and name HB2 ))
   (( segid "SAP" and resid 169  and name HB  ))
      3.800     1.900     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.97460E-03 ppm1      4.156 ppm2      1.702 CV     1
 OR {  553}
   (( segid "SAP" and resid 162  and name HD1 ))
   (( segid "SAP" and resid 169  and name HB  ))
 OR {  553}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 169  and name HB  ))
 ASSI {  555}
   (( segid "SAP" and resid 170  and name HG2 ))
   (( segid "SAP" and resid 169  and name HB  ))
      4.300     2.300     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.47613E-03 ppm1      4.154 ppm2      1.582 CV     1
 OR {  555}
   (( segid "SAP" and resid 170  and name HG1 ))
   (( segid "SAP" and resid 169  and name HB  ))
 OR {  555}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 169  and name HB  ))
 ASSI {  567}
   (( segid "SAP" and resid 169  and name HA  ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.800     1.800     1.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      0.843 ppm2      4.485 CV     1
 OR {  567}
   (( segid "SAP" and resid 171  and name HA  ))
   (  segid "SAP" and resid 173  and name HD1%)
 ASSI {  574}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
      3.000     1.100     1.100 peak   574 spectrum    1 weight  0.10000E+01 volume  0.24126E-02 ppm1      0.725 ppm2      3.167 CV     1
 OR {  574}
   (( segid "SAP" and resid 170  and name HD1 ))
   (  segid "SAP" and resid 173  and name HD2%)
 ASSI {  579}
   (( segid "SAP" and resid 174  and name HA  ))
   (( segid "SAP" and resid 174  and name HB2 ))
      2.500     0.800     0.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.57838E-02 ppm1      2.904 ppm2      4.759 CV     1
 OR {  579}
   (( segid "SAP" and resid 192  and name HA  ))
   (( segid "SAP" and resid 192  and name HB1 ))
 ASSI {  581}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 175  and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.35151E-02 ppm1      3.743 ppm2      1.038 CV     1
 OR {  581}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 175  and name HA  ))
 ASSI {  597}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 177  and name HG1 ))
      1.700     0.400     0.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.25341E-01 ppm1      2.641 ppm2      2.404 CV     1
 OR {  597}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 154  and name HG1 ))
 ASSI {  600}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 177  and name HG1 ))
      4.000     2.000     2.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12143E-02 ppm1      2.648 ppm2      1.509 CV     1
 OR {  600}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 177  and name HG1 ))
 ASSI {  601}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 177  and name HG2 ))
      3.500     1.600     1.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.10577E-02 ppm1      2.402 ppm2      1.479 CV     1
 OR {  601}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 177  and name HG2 ))
 ASSI {  607}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 178  and name HB1 ))
      3.900     1.900     1.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12079E-02 ppm1      1.769 ppm2      3.737 CV     1
 OR {  607}
   (( segid "SAP" and resid 172  and name HA2 ))
   (( segid "SAP" and resid 173  and name HB1 ))
 ASSI {  609}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 178  and name HB1 ))
      2.100     0.600     0.600 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11216E-01 ppm1      1.770 ppm2      0.817 CV     1
 OR {  609}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 173  and name HB1 ))
 OR {  609}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 178  and name HB1 ))
 ASSI {  610}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 158  and name HG  ))
      2.800     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.18214E-02 ppm1      1.552 ppm2      1.194 CV     1
 OR {  610}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 158  and name HG  ))
 ASSI {  614}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 178  and name HD1%)
      4.300     2.300     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.55602E-03 ppm1      0.815 ppm2      2.942 CV     1
 OR {  614}
   (( segid "SAP" and resid 174  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD1%)
 OR {  614}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 178  and name HD1%)
 ASSI {  626}
   (( segid "SAP" and resid 175  and name HE2 ))
   (  segid "SAP" and resid 179  and name HG1%)
      3.400     1.500     1.500 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16393E-02 ppm1      0.588 ppm2      2.530 CV     1
 OR {  626}
   (( segid "SAP" and resid 149  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG1%)
 ASSI {  632}
   (( segid "SAP" and resid 180  and name HG1 ))
   (  segid "SAP" and resid 179  and name HG2%)
      4.200     2.200     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.22305E-03 ppm1      0.482 ppm2      2.401 CV     1
 OR {  632}
   (( segid "SAP" and resid 177  and name HG2 ))
   (  segid "SAP" and resid 179  and name HG2%)
 ASSI {  633}
   (( segid "SAP" and resid 180  and name HB1 ))
   (  segid "SAP" and resid 179  and name HG2%)
      3.500     3.500     2.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.56880E-03 ppm1      0.477 ppm2      2.162 CV     1
 OR {  633}
   (( segid "SAP" and resid 180  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG2%)
 OR {  633}
   (( segid "SAP" and resid 154  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG2%)
 ASSI {  635}
   (( segid "SAP" and resid 182  and name HB  ))
   (  segid "SAP" and resid 179  and name HG2%)
      3.200     3.200     2.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.88836E-03 ppm1      0.479 ppm2      1.711 CV     1
 OR {  635}
   (( segid "SAP" and resid 162  and name HG1 ))
   (  segid "SAP" and resid 179  and name HG2%)
 OR {  635}
   (( segid "SAP" and resid 173  and name HB1 ))
   (  segid "SAP" and resid 179  and name HG2%)
 ASSI {  636}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "SAP" and resid 179  and name HG2%)
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.44098E-02 ppm1      0.481 ppm2      1.499 CV     1
 OR {  636}
   (  segid "SAP" and resid 176  and name HB% )
   (  segid "SAP" and resid 179  and name HG2%)
 ASSI {  644}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 154  and name HB2 ))
      1.700     0.300     0.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.31412E-01 ppm1      2.150 ppm2      2.396 CV     1
 OR {  644}
   (( segid "SAP" and resid 180  and name HG1 ))
   (( segid "SAP" and resid 180  and name HB2 ))
 ASSI {  654}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.13069E-02 ppm1      0.955 ppm2      4.042 CV     1
 OR {  654}
   (( segid "SAP" and resid 185  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
 ASSI {  656}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
      3.400     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.95547E-03 ppm1      0.959 ppm2      3.324 CV     1
 OR {  656}
   (( segid "SAP" and resid 185  and name HB1 ))
   (  segid "SAP" and resid 181  and name HG2%)
 ASSI {  660}
   (( segid "SAP" and resid 169  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
      4.500     2.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.31220E-03 ppm1      0.950 ppm2      4.513 CV     1
 OR {  660}
   (( segid "SAP" and resid 167  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
 ASSI {  666}
   (( segid "SAP" and resid 177  and name HG2 ))
   (  segid "SAP" and resid 181  and name HD1%)
      4.300     2.300     1.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.56880E-03 ppm1      0.873 ppm2      2.401 CV     1
 OR {  666}
   (( segid "SAP" and resid 180  and name HG1 ))
   (  segid "SAP" and resid 181  and name HD1%)
 ASSI {  667}
   (( segid "SAP" and resid 180  and name HB1 ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.600     1.600     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      0.874 ppm2      2.149 CV     1
 OR {  667}
   (( segid "SAP" and resid 162  and name HB1 ))
   (  segid "SAP" and resid 181  and name HD1%)
 OR {  667}
   (( segid "SAP" and resid 180  and name HB2 ))
   (  segid "SAP" and resid 181  and name HD1%)
 ASSI {  675}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
      2.400     0.700     0.700 peak   675 spectrum    1 weight  0.10000E+01 volume  0.81482E-02 ppm1      0.761 ppm2      3.322 CV     1
 OR {  675}
   (( segid "SAP" and resid 186  and name HB1 ))
   (  segid "SAP" and resid 182  and name HG1%)
 ASSI {  679}
   (( segid "SAP" and resid 150  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
      4.300     2.300     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.68703E-03 ppm1     -0.195 ppm2      3.789 CV     1
 OR {  679}
   (( segid "SAP" and resid 151  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
 ASSI {  682}
   (  segid "SAP" and resid 167  and name HD1%)
   (  segid "SAP" and resid 182  and name HG2%)
      3.000     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.29271E-02 ppm1     -0.194 ppm2      0.873 CV     1
 OR {  682}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "SAP" and resid 182  and name HG2%)
 ASSI {  685}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "SAP" and resid 182  and name HG2%)
      3.000     1.100     1.100 peak   685 spectrum    1 weight  0.10000E+01 volume  0.63271E-02 ppm1     -0.193 ppm2      0.452 CV     1
 OR {  685}
   (  segid "SAP" and resid 179  and name HG2%)
   (  segid "SAP" and resid 182  and name HG2%)
 ASSI {  697}
   (( segid "SAP" and resid 186  and name HB1 ))
   (( segid "SAP" and resid 186  and name HA  ))
      2.600     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.52087E-02 ppm1      4.044 ppm2      3.365 CV     1
 OR {  697}
   (( segid "SAP" and resid 185  and name HB1 ))
   (( segid "SAP" and resid 185  and name HA  ))
 ASSI {  715}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 189  and name HG12))
      4.700     2.700     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.44737E-03 ppm1      0.440 ppm2      4.058 CV     1
 OR {  715}
   (( segid "SAP" and resid 190  and name HD1 ))
   (( segid "SAP" and resid 189  and name HG12))
 ASSI {  720}
   (( segid "SAP" and resid 190  and name HD1 ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.800     1.800     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      0.715 ppm2      4.062 CV     1
 OR {  720}
   (( segid "SAP" and resid 186  and name HA  ))
   (  segid "SAP" and resid 189  and name HG2%)
 ASSI {  724}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 190  and name HA  ))
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      4.507 ppm2      0.726 CV     1
 OR {  724}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "SAP" and resid 190  and name HA  ))
 ASSI {  735}
   (( segid "SAP" and resid 185  and name HB1 ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.300     2.400     1.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.75414E-03 ppm1      0.683 ppm2      3.369 CV     1
 OR {  735}
   (( segid "SAP" and resid 186  and name HB1 ))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {  740}
   (( segid "SAP" and resid 180  and name HG2 ))
   (( segid "SAP" and resid 180  and name HA  ))
      2.400     0.700     0.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.73816E-02 ppm1      4.006 ppm2      2.243 CV     1
 OR {  740}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HA  ))
 ASSI {  744}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 152  and name HG1 ))
      2.300     0.700     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.10417E-01 ppm1      2.317 ppm2      1.939 CV     1
 OR {  744}
   (( segid "SAP" and resid 141  and name HB2 ))
   (( segid "SAP" and resid 141  and name HG1 ))
 OR {  744}
   (( segid "SAP" and resid 141  and name HB2 ))
   (( segid "SAP" and resid 141  and name HG2 ))
 OR {  744}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 152  and name HG2 ))
 ASSI {  808}
   (( segid "SAP" and resid 163  and name HD2 ))
   (( segid "SAP" and resid 163  and name HA  ))
      4.600     2.600     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.21953E-03 ppm1      4.168 ppm2      2.933 CV     1
 OR {  808}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 163  and name HA  ))
 ASSI {  831}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 180  and name HA  ))
      3.700     1.700     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      4.000 ppm2      0.478 CV     1
 OR {  831}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 180  and name HA  ))
 ASSI {  934}
   (( segid "SAP" and resid 210  and name HA  ))
   (( segid "SAP" and resid 210  and name HD1 ))
      3.200     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.23838E-02 ppm1      1.639 ppm2      4.277 CV     1
 OR {  934}
   (( segid "SAP" and resid 210  and name HA  ))
   (( segid "SAP" and resid 210  and name HD2 ))
 OR {  934}
   (( segid "SAP" and resid 214  and name HA  ))
   (( segid "SAP" and resid 214  and name HD2 ))
 OR {  934}
   (( segid "SAP" and resid 214  and name HA  ))
   (( segid "SAP" and resid 214  and name HD1 ))
 ASSI {  949}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HD1 ))
      3.900     1.900     1.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.44737E-03 ppm1      1.681 ppm2      3.949 CV     1
 OR {  949}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HD1 ))
 ASSI {  950}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HD2 ))
      3.400     1.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      1.591 ppm2      3.944 CV     1
 OR {  950}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HD2 ))
 ASSI {  951}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 170  and name HB2 ))
      4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.69342E-03 ppm1      1.674 ppm2      4.166 CV     1
 OR {  951}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 162  and name HD1 ))
 ASSI {  952}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 162  and name HD2 ))
      4.400     2.400     1.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.49530E-03 ppm1      1.588 ppm2      4.169 CV     1
 OR {  952}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 162  and name HD2 ))
 ASSI {  955}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 162  and name HD1 ))
      2.500     0.800     0.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.60715E-02 ppm1      1.678 ppm2      0.803 CV     1
 OR {  955}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 162  and name HD1 ))
 ASSI {  961}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 162  and name HD2 ))
      2.600     2.600     3.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.44737E-02 ppm1      1.591 ppm2      1.939 CV     1
 OR {  961}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 162  and name HD2 ))
 OR {  961}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 162  and name HD2 ))
 ASSI {  971}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 171  and name HD2 ))
      2.600     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.56561E-02 ppm1      3.608 ppm2      1.872 CV     1
 OR {  971}
   (( segid "SAP" and resid 171  and name HB2 ))
   (( segid "SAP" and resid 171  and name HD2 ))
 ASSI {  973}
   (( segid "SAP" and resid 146  and name HG1 ))
   (( segid "SAP" and resid 146  and name HD1 ))
      2.400     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.64869E-02 ppm1      3.777 ppm2      1.870 CV     1
 OR {  973}
   (( segid "SAP" and resid 146  and name HG2 ))
   (( segid "SAP" and resid 146  and name HD1 ))
 OR {  973}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 171  and name HD1 ))
 OR {  973}
   (( segid "SAP" and resid 171  and name HB2 ))
   (( segid "SAP" and resid 171  and name HD1 ))
 ASSI {  978}
   (( segid "SAP" and resid 183  and name HA1 ))
   (  segid "SAP" and resid 182  and name HG1%)
      3.000     1.100     1.100 peak   978 spectrum    1 weight  0.10000E+01 volume  0.46016E-02 ppm1      0.762 ppm2      3.931 CV     1
 OR {  978}
   (( segid "SAP" and resid 158  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
 OR {  978}
   (( segid "SAP" and resid 162  and name HA  ))
   (  segid "SAP" and resid 167  and name HD2%)
 ASSI {  981}
   (( segid "SAP" and resid 168  and name HD1 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.900     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.65827E-02 ppm1      0.768 ppm2      4.024 CV     1
 OR {  981}
   (( segid "SAP" and resid 186  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
 ASSI {  983}
   (( segid "SAP" and resid 185  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.700     0.900     0.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.41541E-02 ppm1      0.764 ppm2      3.178 CV     1
 OR {  983}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
 ASSI {  984}
   (( segid "SAP" and resid 165  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.900     1.100     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      0.770 ppm2      2.072 CV     1
 OR {  984}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 182  and name HG1%)
 OR {  984}
   (( segid "SAP" and resid 168  and name HG2 ))
   (  segid "SAP" and resid 167  and name HD2%)
 OR {  984}
   (( segid "SAP" and resid 162  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD2%)
 ASSI {  987}
   (( segid "SAP" and resid 182  and name HB  ))
   (  segid "SAP" and resid 182  and name HG1%)
      2.100     0.600     0.600 peak   987 spectrum    1 weight  0.10000E+01 volume  0.11025E-01 ppm1      0.757 ppm2      1.712 CV     1
 OR {  987}
   (( segid "SAP" and resid 173  and name HB1 ))
   (  segid "SAP" and resid 173  and name HD2%)
 ASSI {  999}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HG1 ))
      3.000     1.100     1.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.20067E-02 ppm1      1.742 ppm2      3.948 CV     1
 OR {  999}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HG1 ))
 ASSI { 1009}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 175  and name HD1 ))
      2.400     0.700     0.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.62312E-02 ppm1      1.556 ppm2      1.041 CV     1
 OR { 1009}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 175  and name HD2 ))
 OR { 1009}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1010}
   (( segid "SAP" and resid 142  and name HA  ))
   (( segid "SAP" and resid 142  and name HB2 ))
      2.200     0.600     0.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.13229E-01 ppm1      2.561 ppm2      4.622 CV     1
 OR { 1010}
   (( segid "SAP" and resid 137  and name HA  ))
   (( segid "SAP" and resid 137  and name HB2 ))
 OR { 1010}
   (( segid "SAP" and resid 144  and name HA  ))
   (( segid "SAP" and resid 144  and name HB2 ))
 ASSI { 1012}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 168  and name HA  ))
      3.900     1.900     1.900 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.46016E-03 ppm1      4.504 ppm2      4.013 CV     1
 OR { 1012}
   (( segid "SAP" and resid 140  and name HA  ))
   (( segid "SAP" and resid 139  and name HA  ))
 ASSI { 1026}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 179  and name HB  ))
      4.400     2.400     1.600 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.28344E-03 ppm1      1.927 ppm2     -1.304 CV     1
 OR { 1026}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 163  and name HB1 ))
 OR { 1026}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 163  and name HB2 ))
 ASSI { 1034}
   (( segid "SAP" and resid 169  and name HB  ))
   (  segid "SAP" and resid 181  and name HG2%)
      4.300     2.300     1.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.46335E-03 ppm1      0.955 ppm2      4.161 CV     1
 OR { 1034}
   (( segid "SAP" and resid 184  and name HA  ))
   (  segid "SAP" and resid 181  and name HG2%)
 ASSI { 1047}
   (( segid "SAP" and resid 162  and name HG2 ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.300     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.24477E-02 ppm1      0.880 ppm2      1.495 CV     1
 OR { 1047}
   (( segid "SAP" and resid 173  and name HB2 ))
   (  segid "SAP" and resid 181  and name HD1%)
 ASSI { 1061}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 159  and name HB2 ))
      2.400     0.700     0.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.70940E-02 ppm1      1.879 ppm2      3.173 CV     1
 OR { 1061}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 159  and name HB1 ))
 OR { 1061}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 159  and name HB2 ))
 OR { 1061}
   (( segid "SAP" and resid 170  and name HD1 ))
   (( segid "SAP" and resid 170  and name HB1 ))
 OR { 1061}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 159  and name HB1 ))
 ASSI { 1062}
   (  segid "SAP" and resid 153  and name HD2%)
   (( segid "SAP" and resid 153  and name HG  ))
      2.100     0.500     0.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.11951E-01 ppm1      1.624 ppm2      0.745 CV     1
 OR { 1062}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 167  and name HG  ))
 ASSI { 1063}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 170  and name HG1 ))
      1.900     0.500     0.500 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.26171E-01 ppm1      1.614 ppm2      1.865 CV     1
 OR { 1063}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 170  and name HG2 ))
 OR { 1063}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 153  and name HG  ))
 ASSI { 1112}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 173  and name HB2 ))
      3.400     1.400     1.400 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.24542E-02 ppm1      1.476 ppm2      0.732 CV     1
 OR { 1112}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 150  and name HB1 ))
 ASSI { 1114}
   (( segid "SAP" and resid 153  and name HA  ))
   (( segid "SAP" and resid 153  and name HB2 ))
      3.700     1.700     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.92991E-03 ppm1      1.181 ppm2      4.441 CV     1
 OR { 1114}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 153  and name HB2 ))
 ASSI { 1122}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 158  and name HB2 ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      1.199 ppm2      1.574 CV     1
 OR { 1122}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 153  and name HB2 ))
 OR { 1122}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 158  and name HB2 ))
 ASSI { 1123}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 158  and name HB2 ))
      2.500     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.41861E-02 ppm1      1.188 ppm2      0.657 CV     1
 OR { 1123}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 153  and name HB2 ))
 OR { 1123}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 158  and name HB2 ))
 ASSI { 1127}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HE1 ))
      1.800     0.400     0.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.33233E-01 ppm1      2.932 ppm2      1.639 CV     1
 OR { 1127}
   (( segid "SAP" and resid 210  and name HD1 ))
   (( segid "SAP" and resid 210  and name HE1 ))
 OR { 1127}
   (( segid "SAP" and resid 208  and name HD1 ))
   (( segid "SAP" and resid 208  and name HE2 ))
 OR { 1127}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HE2 ))
 OR { 1127}
   (( segid "SAP" and resid 208  and name HD2 ))
   (( segid "SAP" and resid 208  and name HE1 ))
 OR { 1127}
   (( segid "SAP" and resid 210  and name HD1 ))
   (( segid "SAP" and resid 210  and name HE2 ))
 OR { 1127}
   (( segid "SAP" and resid 208  and name HD1 ))
   (( segid "SAP" and resid 208  and name HE1 ))
 OR { 1127}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HE1 ))
 OR { 1127}
   (( segid "SAP" and resid 208  and name HD2 ))
   (( segid "SAP" and resid 208  and name HE2 ))
 OR { 1127}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HE2 ))
 OR { 1127}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HE1 ))
 OR { 1127}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HE2 ))
 ASSI { 1129}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HE1 ))
      2.800     1.000     1.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.46974E-02 ppm1      2.933 ppm2      3.954 CV     1
 OR { 1129}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HE2 ))
 OR { 1129}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HE2 ))
 OR { 1129}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HE1 ))
 OR { 1129}
   (( segid "SAP" and resid 164  and name HA  ))
   (( segid "SAP" and resid 166  and name HE1 ))
 ASSI { 1130}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 162  and name HE2 ))
      3.100     1.200     1.200 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.36749E-02 ppm1      2.935 ppm2      4.166 CV     1
 OR { 1130}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 162  and name HE1 ))
 OR { 1130}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HE2 ))
 OR { 1130}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HE1 ))
 ASSI { 1131}
   (( segid "SAP" and resid 144  and name HA  ))
   (( segid "SAP" and resid 144  and name HB1 ))
      2.400     0.700     0.700 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.85002E-02 ppm1      2.639 ppm2      4.633 CV     1
 OR { 1131}
   (( segid "SAP" and resid 137  and name HA  ))
   (( segid "SAP" and resid 137  and name HB1 ))
 OR { 1131}
   (( segid "SAP" and resid 216  and name HA  ))
   (( segid "SAP" and resid 216  and name HB2 ))
 OR { 1131}
   (( segid "SAP" and resid 216  and name HA  ))
   (( segid "SAP" and resid 216  and name HB1 ))
 ASSI { 1132}
   (( segid "SAP" and resid 142  and name HA  ))
   (( segid "SAP" and resid 142  and name HB1 ))
      2.100     0.600     0.600 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.17096E-01 ppm1      2.681 ppm2      4.591 CV     1
 OR { 1132}
   (( segid "SAP" and resid 134  and name HA  ))
   (( segid "SAP" and resid 134  and name HB1 ))
 OR { 1132}
   (( segid "SAP" and resid 212  and name HA  ))
   (( segid "SAP" and resid 212  and name HB1 ))
 OR { 1132}
   (( segid "SAP" and resid 216  and name HA  ))
   (( segid "SAP" and resid 216  and name HB1 ))
 ASSI { 1133}
   (( segid "SAP" and resid 134  and name HA  ))
   (( segid "SAP" and resid 134  and name HB2 ))
      2.400     0.700     0.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.78612E-02 ppm1      2.597 ppm2      4.587 CV     1
 OR { 1133}
   (( segid "SAP" and resid 212  and name HA  ))
   (( segid "SAP" and resid 212  and name HB2 ))
 OR { 1133}
   (( segid "SAP" and resid 137  and name HA  ))
   (( segid "SAP" and resid 137  and name HB2 ))
 ASSI { 1158}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 209  and name HB2 ))
      3.500     1.500     1.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      2.664 ppm2      1.848 CV     1
 OR { 1158}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 206  and name HB1 ))
 OR { 1158}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 206  and name HB1 ))
 OR { 1158}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 161  and name HB2 ))
 OR { 1158}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 161  and name HB1 ))
 OR { 1158}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 161  and name HB1 ))
 OR { 1158}
   (( segid "SAP" and resid 205  and name HG1 ))
   (( segid "SAP" and resid 206  and name HB1 ))
 ASSI { 1173}
   (( segid "SAP" and resid 159  and name HG1 ))
   (( segid "SAP" and resid 155  and name HA  ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.33233E-03 ppm1      3.618 ppm2      1.847 CV     1
 OR { 1173}
   (( segid "SAP" and resid 175  and name HB2 ))
   (( segid "SAP" and resid 155  and name HA  ))
 OR { 1173}
   (( segid "SAP" and resid 175  and name HB1 ))
   (( segid "SAP" and resid 155  and name HA  ))
 ASSI { 1181}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 204  and name HA  ))
      4.200     2.200     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.44098E-03 ppm1      3.564 ppm2      2.685 CV     1
 OR { 1181}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 204  and name HA  ))
 ASSI { 1182}
   (( segid "SAP" and resid 153  and name HA  ))
   (( segid "SAP" and resid 154  and name HG1 ))
      3.400     1.500     1.500 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      2.600 ppm2      4.407 CV     1
 OR { 1182}
   (( segid "SAP" and resid 153  and name HA  ))
   (( segid "SAP" and resid 154  and name HG2 ))
 OR { 1182}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 154  and name HG2 ))
 OR { 1182}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 154  and name HG1 ))
 ASSI { 1186}
   (( segid "SAP" and resid 175  and name HE1 ))
   (( segid "SAP" and resid 175  and name HB2 ))
      3.900     1.900     1.900 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      1.835 ppm2      2.701 CV     1
 OR { 1186}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 208  and name HB1 ))
 OR { 1186}
   (( segid "SAP" and resid 175  and name HE1 ))
   (( segid "SAP" and resid 175  and name HB1 ))
 ASSI { 1187}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 208  and name HB2 ))
      3.500     1.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.90749E-03 ppm1      1.737 ppm2      2.692 CV     1
 OR { 1187}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 OR { 1187}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 208  and name HB2 ))
 OR { 1187}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 ASSI { 1188}
   (( segid "SAP" and resid 214  and name HG1 ))
   (( segid "SAP" and resid 214  and name HB2 ))
      2.100     0.500     0.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.17415E-01 ppm1      1.732 ppm2      1.399 CV     1
 OR { 1188}
   (( segid "SAP" and resid 210  and name HG2 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 OR { 1188}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 208  and name HB2 ))
 OR { 1188}
   (( segid "SAP" and resid 208  and name HG1 ))
   (( segid "SAP" and resid 208  and name HB2 ))
 OR { 1188}
   (( segid "SAP" and resid 210  and name HG1 ))
   (( segid "SAP" and resid 210  and name HB2 ))
 ASSI { 1189}
   (( segid "SAP" and resid 214  and name HG2 ))
   (( segid "SAP" and resid 214  and name HB1 ))
      2.000     0.500     0.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.19365E-01 ppm1      1.825 ppm2      1.399 CV     1
 OR { 1189}
   (( segid "SAP" and resid 210  and name HG1 ))
   (( segid "SAP" and resid 210  and name HB1 ))
 OR { 1189}
   (( segid "SAP" and resid 208  and name HG1 ))
   (( segid "SAP" and resid 208  and name HB1 ))
 OR { 1189}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 208  and name HB1 ))
 OR { 1189}
   (( segid "SAP" and resid 210  and name HG2 ))
   (( segid "SAP" and resid 210  and name HB1 ))
 ASSI { 1197}
   (( segid "SAP" and resid 171  and name HD2 ))
   (( segid "SAP" and resid 171  and name HA  ))
      3.300     1.400     1.400 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.15594E-02 ppm1      4.494 ppm2      3.637 CV     1
 OR { 1197}
   (( segid "SAP" and resid 168  and name HD2 ))
   (( segid "SAP" and resid 168  and name HA  ))
 ASSI { 1203}
   (( segid "SAP" and resid 190  and name HA  ))
   (( segid "SAP" and resid 190  and name HB1 ))
      2.100     0.600     0.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.10609E-01 ppm1      2.151 ppm2      4.507 CV     1
 OR { 1203}
   (( segid "SAP" and resid 168  and name HA  ))
   (( segid "SAP" and resid 168  and name HB1 ))
 ASSI { 1206}
   (( segid "SAP" and resid 176  and name HA  ))
   (( segid "SAP" and resid 179  and name HB  ))
      2.300     0.600     0.600 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.97146E-02 ppm1      1.932 ppm2      4.014 CV     1
 OR { 1206}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 163  and name HB2 ))
 OR { 1206}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 163  and name HB1 ))
 ASSI { 1209}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 175  and name HB2 ))
      2.500     0.800     0.800 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.53045E-02 ppm1      1.869 ppm2      3.769 CV     1
 OR { 1209}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 175  and name HB1 ))
 OR { 1209}
   (( segid "SAP" and resid 171  and name HD1 ))
   (( segid "SAP" and resid 171  and name HB2 ))
 ASSI { 1211}
   (( segid "SAP" and resid 171  and name HD1 ))
   (( segid "SAP" and resid 171  and name HB1 ))
      3.100     1.200     1.200 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      2.267 ppm2      3.768 CV     1
 OR { 1211}
   (( segid "SAP" and resid 139  and name HD1 ))
   (( segid "SAP" and resid 139  and name HB1 ))
 ASSI { 1214}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 162  and name HB1 ))
      2.600     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.59117E-02 ppm1      2.093 ppm2      1.566 CV     1
 OR { 1214}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 162  and name HB2 ))
 OR { 1214}
   (( segid "SAP" and resid 175  and name HD1 ))
   (( segid "SAP" and resid 155  and name HB  ))
 ASSI { 1236}
   (( segid "SAP" and resid 168  and name HB1 ))
   (( segid "SAP" and resid 169  and name HA  ))
      4.400     2.400     1.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      4.498 ppm2      2.141 CV     1
 OR { 1236}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 169  and name HA  ))
 ASSI { 1241}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HA  ))
      2.200     0.600     0.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.10481E-01 ppm1      3.947 ppm2      2.109 CV     1
 OR { 1241}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HA  ))
 OR { 1241}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 162  and name HA  ))
 OR { 1241}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 159  and name HA  ))
 ASSI { 1242}
   (( segid "SAP" and resid 194  and name HD1 ))
   (( segid "SAP" and resid 194  and name HA  ))
      2.200     0.600     0.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      3.946 ppm2      1.680 CV     1
 OR { 1242}
   (( segid "SAP" and resid 194  and name HD2 ))
   (( segid "SAP" and resid 194  and name HA  ))
 OR { 1242}
   (( segid "SAP" and resid 162  and name HD1 ))
   (( segid "SAP" and resid 159  and name HA  ))
 ASSI { 1243}
   (( segid "SAP" and resid 159  and name HG2 ))
   (( segid "SAP" and resid 159  and name HA  ))
      2.200     0.600     0.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.12143E-01 ppm1      3.946 ppm2      1.582 CV     1
 OR { 1243}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 162  and name HA  ))
 OR { 1243}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 159  and name HA  ))
 ASSI { 1250}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 152  and name HB1 ))
      2.200     0.600     0.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.94269E-02 ppm1      2.123 ppm2      4.086 CV     1
 OR { 1250}
   (( segid "SAP" and resid 177  and name HA  ))
   (( segid "SAP" and resid 180  and name HB2 ))
 ASSI { 1253}
   (( segid "SAP" and resid 210  and name HE1 ))
   (( segid "SAP" and resid 210  and name HD1 ))
      2.200     0.600     0.600 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.12111E-01 ppm1      1.601 ppm2      2.945 CV     1
 OR { 1253}
   (( segid "SAP" and resid 166  and name HE1 ))
   (( segid "SAP" and resid 166  and name HD2 ))
 OR { 1253}
   (( segid "SAP" and resid 208  and name HE1 ))
   (( segid "SAP" and resid 208  and name HD2 ))
 OR { 1253}
   (( segid "SAP" and resid 166  and name HE2 ))
   (( segid "SAP" and resid 166  and name HD2 ))
 OR { 1253}
   (( segid "SAP" and resid 208  and name HE1 ))
   (( segid "SAP" and resid 208  and name HD1 ))
 OR { 1253}
   (( segid "SAP" and resid 210  and name HE1 ))
   (( segid "SAP" and resid 210  and name HD2 ))
 OR { 1253}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 208  and name HD2 ))
 OR { 1253}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HD2 ))
 ASSI { 1254}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 159  and name HG2 ))
      3.100     1.200     1.200 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.15466E-02 ppm1      1.567 ppm2      0.800 CV     1
 OR { 1254}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 159  and name HG2 ))
 OR { 1254}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 175  and name HD2 ))
 ASSI { 1257}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 175  and name HD2 ))
      4.200     2.200     1.800 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.67425E-03 ppm1      1.547 ppm2      0.601 CV     1
 OR { 1257}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 175  and name HD2 ))
 OR { 1257}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1264}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 166  and name HD1 ))
      3.400     1.500     1.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.93626E-03 ppm1      1.697 ppm2      4.121 CV     1
 OR { 1264}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 187  and name HD2 ))
 OR { 1264}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 187  and name HD1 ))
 ASSI { 1267}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HD1 ))
      2.200     0.600     0.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.13038E-01 ppm1      1.686 ppm2      2.967 CV     1
 OR { 1267}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HD2 ))
 OR { 1267}
   (( segid "SAP" and resid 166  and name HE1 ))
   (( segid "SAP" and resid 166  and name HD1 ))
 OR { 1267}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HD1 ))
 OR { 1267}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HD2 ))
 OR { 1267}
   (( segid "SAP" and resid 194  and name HE2 ))
   (( segid "SAP" and resid 194  and name HD2 ))
 OR { 1267}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HD2 ))
 OR { 1267}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HD1 ))
 ASSI { 1268}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 181  and name HG12))
      5.100     3.300     0.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.26651E-03 ppm1      1.306 ppm2      4.037 CV     1
 OR { 1268}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 181  and name HG12))
 ASSI { 1273}
   (( segid "SAP" and resid 162  and name HG2 ))
   (( segid "SAP" and resid 158  and name HA  ))
      4.000     2.000     2.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.94269E-03 ppm1      3.931 ppm2      1.504 CV     1
 OR { 1273}
   (( segid "SAP" and resid 150  and name HB1 ))
   (( segid "SAP" and resid 158  and name HA  ))
 ASSI { 1277}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 160  and name HA  ))
      1.900     0.500     0.500 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.20036E-01 ppm1      4.001 ppm2      1.906 CV     1
 OR { 1277}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 160  and name HA  ))
 OR { 1277}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 160  and name HA  ))
 ASSI { 1288}
   (( segid "SAP" and resid 209  and name HA  ))
   (( segid "SAP" and resid 210  and name HD1 ))
      3.900     1.900     1.900 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.46974E-03 ppm1      1.620 ppm2      4.576 CV     1
 OR { 1288}
   (( segid "SAP" and resid 209  and name HA  ))
   (( segid "SAP" and resid 210  and name HD2 ))
 OR { 1288}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 166  and name HD2 ))
 OR { 1288}
   (( segid "SAP" and resid 212  and name HA  ))
   (( segid "SAP" and resid 214  and name HD1 ))
 OR { 1288}
   (( segid "SAP" and resid 206  and name HA  ))
   (( segid "SAP" and resid 208  and name HD2 ))
 OR { 1288}
   (( segid "SAP" and resid 206  and name HA  ))
   (( segid "SAP" and resid 208  and name HD1 ))
 OR { 1288}
   (( segid "SAP" and resid 212  and name HA  ))
   (( segid "SAP" and resid 214  and name HD2 ))
 ASSI { 1289}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 208  and name HD2 ))
      3.200     1.300     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.17415E-02 ppm1      1.628 ppm2      2.718 CV     1
 OR { 1289}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 208  and name HD1 ))
 OR { 1289}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 210  and name HD1 ))
 OR { 1289}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 210  and name HD2 ))
 OR { 1289}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 210  and name HD1 ))
 OR { 1289}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 210  and name HD2 ))
 ASSI { 1293}
   (( segid "SAP" and resid 168  and name HA  ))
   (( segid "SAP" and resid 168  and name HG1 ))
      3.400     1.400     1.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.26107E-02 ppm1      2.125 ppm2      4.505 CV     1
 OR { 1293}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 168  and name HG1 ))
 ASSI { 1295}
   (( segid "SAP" and resid 139  and name HA  ))
   (( segid "SAP" and resid 139  and name HG2 ))
      3.000     1.200     1.200 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.41861E-02 ppm1      1.977 ppm2      4.479 CV     1
 OR { 1295}
   (( segid "SAP" and resid 190  and name HA  ))
   (( segid "SAP" and resid 190  and name HG2 ))
 OR { 1295}
   (( segid "SAP" and resid 139  and name HA  ))
   (( segid "SAP" and resid 139  and name HG1 ))
 OR { 1295}
   (( segid "SAP" and resid 190  and name HA  ))
   (( segid "SAP" and resid 190  and name HG1 ))
 ASSI { 1296}
   (( segid "SAP" and resid 171  and name HA  ))
   (( segid "SAP" and resid 171  and name HG2 ))
      2.900     1.100     1.100 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.44737E-02 ppm1      2.037 ppm2      4.500 CV     1
 OR { 1296}
   (( segid "SAP" and resid 171  and name HA  ))
   (( segid "SAP" and resid 171  and name HG1 ))
 OR { 1296}
   (( segid "SAP" and resid 168  and name HA  ))
   (( segid "SAP" and resid 168  and name HG2 ))
 ASSI { 1310}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 178  and name HG  ))
      2.200     0.600     0.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.90435E-02 ppm1      1.548 ppm2      0.798 CV     1
 OR { 1310}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 178  and name HG  ))
 OR { 1310}
   (  segid "SAP" and resid 213  and name HD2%)
   (( segid "SAP" and resid 213  and name HG  ))
 ASSI { 1313}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 158  and name HD1%)
      4.700     2.800     1.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.34511E-03 ppm1      0.679 ppm2      4.014 CV     1
 OR { 1313}
   (( segid "SAP" and resid 176  and name HA  ))
   (  segid "SAP" and resid 158  and name HD1%)
 ASSI { 1315}
   (( segid "SAP" and resid 153  and name HB1 ))
   (  segid "SAP" and resid 158  and name HD1%)
      3.700     1.700     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      0.679 ppm2      1.901 CV     1
 OR { 1315}
   (( segid "SAP" and resid 179  and name HB  ))
   (  segid "SAP" and resid 158  and name HD1%)
 ASSI { 1316}
   (( segid "SAP" and resid 178  and name HB2 ))
   (  segid "SAP" and resid 158  and name HD1%)
      2.200     0.600     0.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.65508E-02 ppm1      0.683 ppm2      1.557 CV     1
 OR { 1316}
   (( segid "SAP" and resid 158  and name HG  ))
   (  segid "SAP" and resid 158  and name HD1%)
 OR { 1316}
   (( segid "SAP" and resid 175  and name HD2 ))
   (  segid "SAP" and resid 158  and name HD1%)
 ASSI { 1317}
   (( segid "SAP" and resid 158  and name HB2 ))
   (  segid "SAP" and resid 158  and name HD1%)
      2.400     0.700     0.700 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.47613E-02 ppm1      0.684 ppm2      1.193 CV     1
 OR { 1317}
   (( segid "SAP" and resid 153  and name HB2 ))
   (  segid "SAP" and resid 158  and name HD1%)
 ASSI { 1319}
   (  segid "SAP" and resid 155  and name HG1%)
   (  segid "SAP" and resid 158  and name HD1%)
      3.200     1.300     1.300 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.31156E-02 ppm1      0.684 ppm2      1.047 CV     1
 OR { 1319}
   (( segid "SAP" and resid 175  and name HG2 ))
   (  segid "SAP" and resid 158  and name HD1%)
 ASSI { 1323}
   (( segid "SAP" and resid 153  and name HB2 ))
   (  segid "SAP" and resid 158  and name HD2%)
      2.400     0.700     0.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.69982E-02 ppm1      0.644 ppm2      1.193 CV     1
 OR { 1323}
   (( segid "SAP" and resid 158  and name HB2 ))
   (  segid "SAP" and resid 158  and name HD2%)
 ASSI { 1326}
   (( segid "SAP" and resid 157  and name HB  ))
   (  segid "SAP" and resid 158  and name HD2%)
      4.000     2.000     2.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.78291E-03 ppm1      0.646 ppm2      4.435 CV     1
 OR { 1326}
   (( segid "SAP" and resid 153  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
 ASSI { 1327}
   (( segid "SAP" and resid 150  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
      3.100     1.200     1.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.26171E-02 ppm1      0.642 ppm2      3.810 CV     1
 OR { 1327}
   (( segid "SAP" and resid 151  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
 ASSI { 1328}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
      3.100     3.100     2.900 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.31444E-02 ppm1      0.644 ppm2      4.021 CV     1
 OR { 1328}
   (( segid "SAP" and resid 176  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
 ASSI { 1329}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 158  and name HG  ))
      3.900     1.900     1.900 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.54963E-03 ppm1      1.549 ppm2      3.630 CV     1
 OR { 1329}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 178  and name HG  ))
 ASSI { 1331}
   (( segid "SAP" and resid 139  and name HD1 ))
   (( segid "SAP" and resid 138  and name HA  ))
      2.400     0.700     0.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.68384E-02 ppm1      4.719 ppm2      3.771 CV     1
 OR { 1331}
   (( segid "SAP" and resid 138  and name HB2 ))
   (( segid "SAP" and resid 138  and name HA  ))
 ASSI { 1332}
   (( segid "SAP" and resid 159  and name HA  ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.700     1.700     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.10289E-02 ppm1      0.847 ppm2      3.947 CV     1
 OR { 1332}
   (( segid "SAP" and resid 172  and name HA1 ))
   (  segid "SAP" and resid 173  and name HD1%)
 ASSI { 1333}
   (( segid "SAP" and resid 159  and name HD1 ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.700     1.700     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.57519E-03 ppm1      0.851 ppm2      3.163 CV     1
 OR { 1333}
   (( segid "SAP" and resid 159  and name HD2 ))
   (  segid "SAP" and resid 173  and name HD1%)
 OR { 1333}
   (( segid "SAP" and resid 170  and name HD1 ))
   (  segid "SAP" and resid 173  and name HD1%)
 ASSI { 1338}
   (  segid "SAP" and resid 158  and name HD2%)
   (  segid "SAP" and resid 150  and name HD1%)
      2.900     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.40583E-02 ppm1      0.442 ppm2      0.666 CV     1
 OR { 1338}
   (  segid "SAP" and resid 148  and name HG2%)
   (  segid "SAP" and resid 150  and name HD1%)
 ASSI { 1344}
   (( segid "SAP" and resid 181  and name HB  ))
   (  segid "SAP" and resid 167  and name HD1%)
      3.700     1.800     1.800 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.85323E-03 ppm1      0.873 ppm2      1.931 CV     1
 OR { 1344}
   (( segid "SAP" and resid 163  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI { 1353}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.900     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      0.793 ppm2      2.084 CV     1
 OR { 1353}
   (( segid "SAP" and resid 162  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1354}
   (( segid "SAP" and resid 178  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.200     0.600     0.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.83403E-02 ppm1      0.793 ppm2      1.770 CV     1
 OR { 1354}
   (( segid "SAP" and resid 173  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1355}
   (( segid "SAP" and resid 178  and name HG  ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.000     0.500     0.500 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.18949E-01 ppm1      0.792 ppm2      1.570 CV     1
 OR { 1355}
   (( segid "SAP" and resid 162  and name HD2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 OR { 1355}
   (( segid "SAP" and resid 178  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1356}
   (( segid "SAP" and resid 159  and name HG1 ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.600     0.800     0.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.67425E-02 ppm1      0.793 ppm2      1.904 CV     1
 OR { 1356}
   (( segid "SAP" and resid 159  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD2%)
 OR { 1356}
   (( segid "SAP" and resid 181  and name HB  ))
   (  segid "SAP" and resid 178  and name HD2%)
 OR { 1356}
   (( segid "SAP" and resid 159  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1358}
   (  segid "SAP" and resid 169  and name HG2%)
   (  segid "SAP" and resid 178  and name HD2%)
      2.800     1.000     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      0.793 ppm2      1.050 CV     1
 OR { 1358}
   (  segid "SAP" and resid 155  and name HG1%)
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1359}
   (( segid "SAP" and resid 154  and name HG2 ))
   (  segid "SAP" and resid 153  and name HD2%)
      4.300     2.300     1.700 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.43139E-03 ppm1      0.759 ppm2      2.613 CV     1
 OR { 1359}
   (( segid "SAP" and resid 154  and name HG1 ))
   (  segid "SAP" and resid 153  and name HD2%)
 OR { 1359}
   (( segid "SAP" and resid 177  and name HG1 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1360}
   (( segid "SAP" and resid 153  and name HB1 ))
   (  segid "SAP" and resid 153  and name HD2%)
      2.400     0.700     0.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.56561E-02 ppm1      0.753 ppm2      1.876 CV     1
 OR { 1360}
   (( segid "SAP" and resid 159  and name HG1 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1361}
   (  segid "SAP" and resid 157  and name HG2%)
   (  segid "SAP" and resid 153  and name HD2%)
      2.400     0.700     0.700 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.66786E-02 ppm1      0.754 ppm2      1.451 CV     1
 OR { 1361}
   (( segid "SAP" and resid 173  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1362}
   (( segid "SAP" and resid 153  and name HG  ))
   (  segid "SAP" and resid 153  and name HD2%)
      2.100     0.600     0.600 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.88836E-02 ppm1      0.753 ppm2      1.626 CV     1
 OR { 1362}
   (( segid "SAP" and resid 162  and name HD2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1363}
   (( segid "SAP" and resid 153  and name HB2 ))
   (  segid "SAP" and resid 153  and name HD2%)
      2.900     1.100     1.100 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.49530E-02 ppm1      0.753 ppm2      1.204 CV     1
 OR { 1363}
   (( segid "SAP" and resid 158  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI { 1364}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HG1 ))
      2.600     0.900     0.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.44418E-02 ppm1      1.483 ppm2      2.958 CV     1
 OR { 1364}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 162  and name HG2 ))
 OR { 1364}
   (( segid "SAP" and resid 194  and name HE2 ))
   (( segid "SAP" and resid 194  and name HG1 ))
 ASSI { 1365}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HG2 ))
      2.500     0.800     0.800 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.65189E-02 ppm1      1.410 ppm2      2.956 CV     1
 OR { 1365}
   (( segid "SAP" and resid 208  and name HE1 ))
   (( segid "SAP" and resid 208  and name HG1 ))
 OR { 1365}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 OR { 1365}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 OR { 1365}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 208  and name HG1 ))
 OR { 1365}
   (( segid "SAP" and resid 194  and name HE2 ))
   (( segid "SAP" and resid 194  and name HG2 ))
 OR { 1365}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1365}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1365}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HG1 ))
 OR { 1365}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 ASSI { 1366}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HG1 ))
      2.700     0.900     0.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.45376E-02 ppm1      1.368 ppm2      2.941 CV     1
 OR { 1366}
   (( segid "SAP" and resid 208  and name HE1 ))
   (( segid "SAP" and resid 208  and name HG2 ))
 OR { 1366}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 OR { 1366}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 208  and name HG2 ))
 OR { 1366}
   (( segid "SAP" and resid 214  and name HE2 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1366}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1366}
   (( segid "SAP" and resid 210  and name HE2 ))
   (( segid "SAP" and resid 210  and name HG1 ))
 OR { 1366}
   (( segid "SAP" and resid 214  and name HE1 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 ASSI { 1367}
   (( segid "SAP" and resid 194  and name HD2 ))
   (( segid "SAP" and resid 194  and name HG1 ))
      1.900     0.500     0.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.28472E-01 ppm1      1.484 ppm2      1.686 CV     1
 OR { 1367}
   (( segid "SAP" and resid 162  and name HD1 ))
   (( segid "SAP" and resid 162  and name HG2 ))
 OR { 1367}
   (( segid "SAP" and resid 194  and name HD1 ))
   (( segid "SAP" and resid 194  and name HG1 ))
 ASSI { 1370}
   (( segid "SAP" and resid 214  and name HB1 ))
   (( segid "SAP" and resid 214  and name HG2 ))
      2.000     0.500     0.500 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.23966E-01 ppm1      1.412 ppm2      1.826 CV     1
 OR { 1370}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 210  and name HG1 ))
 OR { 1370}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 208  and name HG1 ))
 OR { 1370}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 ASSI { 1371}
   (( segid "SAP" and resid 208  and name HD2 ))
   (( segid "SAP" and resid 208  and name HG1 ))
      1.600     0.300     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.85002E-01 ppm1      1.413 ppm2      1.637 CV     1
 OR { 1371}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HG1 ))
 OR { 1371}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1371}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 OR { 1371}
   (( segid "SAP" and resid 210  and name HD1 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 OR { 1371}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1371}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 OR { 1371}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 ASSI { 1372}
   (( segid "SAP" and resid 208  and name HD1 ))
   (( segid "SAP" and resid 208  and name HG2 ))
      1.600     0.300     0.600 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.70301E-01 ppm1      1.366 ppm2      1.631 CV     1
 OR { 1372}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HG1 ))
 OR { 1372}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1372}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 OR { 1372}
   (( segid "SAP" and resid 210  and name HD1 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 OR { 1372}
   (( segid "SAP" and resid 214  and name HD2 ))
   (( segid "SAP" and resid 214  and name HG2 ))
 OR { 1372}
   (( segid "SAP" and resid 214  and name HD1 ))
   (( segid "SAP" and resid 214  and name HG1 ))
 OR { 1372}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HG2 ))
 ASSI { 1377}
   (( segid "SAP" and resid 176  and name HA  ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.900     1.100     1.100 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.36749E-02 ppm1      0.589 ppm2      4.031 CV     1
 OR { 1377}
   (( segid "SAP" and resid 196  and name HB  ))
   (  segid "SAP" and resid 197  and name HD1%)
 OR { 1377}
   (( segid "SAP" and resid 180  and name HA  ))
   (  segid "SAP" and resid 179  and name HG1%)
 ASSI { 1378}
   (( segid "SAP" and resid 151  and name HA  ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.68703E-02 ppm1      0.592 ppm2      3.831 CV     1
 OR { 1378}
   (( segid "SAP" and resid 197  and name HA  ))
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI { 1386}
   (( segid "SAP" and resid 197  and name HG  ))
   (  segid "SAP" and resid 197  and name HD1%)
      2.300     0.700     0.700 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.93947E-02 ppm1      0.594 ppm2      1.445 CV     1
 OR { 1386}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "SAP" and resid 179  and name HG1%)
 ASSI { 1388}
   (  segid "SAP" and resid 201  and name HD1%)
   (  segid "SAP" and resid 197  and name HD1%)
      2.700     0.900     0.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.67425E-02 ppm1      0.591 ppm2      1.043 CV     1
 OR { 1388}
   (  segid "SAP" and resid 196  and name HG2%)
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI { 1389}
   (( segid "SAP" and resid 175  and name HD2 ))
   (  segid "SAP" and resid 179  and name HG1%)
      3.000     1.100     1.100 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.59756E-02 ppm1      0.591 ppm2      1.556 CV     1
 OR { 1389}
   (( segid "SAP" and resid 178  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG1%)
 OR { 1389}
   (( segid "SAP" and resid 158  and name HG  ))
   (  segid "SAP" and resid 179  and name HG1%)
 ASSI { 1391}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 144  and name HA  ))
      3.700     1.700     1.700 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.77648E-03 ppm1      4.601 ppm2      0.900 CV     1
 OR { 1391}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 142  and name HA  ))
 OR { 1391}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 142  and name HA  ))
 ASSI { 1393}
   (( segid "SAP" and resid 159  and name HA  ))
   (  segid "SAP" and resid 178  and name HD1%)
      3.200     1.300     1.300 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.21570E-02 ppm1      0.817 ppm2      3.943 CV     1
 OR { 1393}
   (( segid "SAP" and resid 158  and name HA  ))
   (  segid "SAP" and resid 178  and name HD1%)
 ASSI { 1403}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 206  and name HA  ))
      2.100     0.500     0.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.15849E-01 ppm1      4.594 ppm2      2.669 CV     1
 OR { 1403}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 209  and name HA  ))
 ASSI { 1405}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 206  and name HA  ))
      3.400     1.500     1.500 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.12558E-02 ppm1      4.589 ppm2      1.826 CV     1
 OR { 1405}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 206  and name HA  ))
 OR { 1405}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 209  and name HA  ))
 OR { 1405}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 209  and name HA  ))
 ASSI { 1406}
   (( segid "SAP" and resid 210  and name HB2 ))
   (( segid "SAP" and resid 209  and name HA  ))
      4.200     2.200     1.800 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      4.592 ppm2      1.735 CV     1
 OR { 1406}
   (( segid "SAP" and resid 208  and name HB2 ))
   (( segid "SAP" and resid 209  and name HA  ))
 ASSI { 1410}
   (( segid "SAP" and resid 186  and name HA  ))
   (  segid "SAP" and resid 182  and name HG1%)
      3.300     1.400     1.400 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.20643E-02 ppm1      0.724 ppm2      4.078 CV     1
 OR { 1410}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 173  and name HD2%)
 OR { 1410}
   (( segid "SAP" and resid 177  and name HA  ))
   (  segid "SAP" and resid 173  and name HD2%)
 ASSI { 1412}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 173  and name HD2%)
      4.000     2.000     2.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.56880E-03 ppm1      0.725 ppm2      2.936 CV     1
 OR { 1412}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 173  and name HD2%)
 OR { 1412}
   (( segid "SAP" and resid 174  and name HB2 ))
   (  segid "SAP" and resid 173  and name HD2%)
 ASSI { 1416}
   (( segid "SAP" and resid 199  and name HB2 ))
   (  segid "SAP" and resid 196  and name HG2%)
      3.400     1.500     1.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      1.044 ppm2      2.900 CV     1
 OR { 1416}
   (( segid "SAP" and resid 156  and name HB1 ))
   (  segid "SAP" and resid 155  and name HG1%)
 ASSI { 1417}
   (( segid "SAP" and resid 177  and name HB1 ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.200     3.200     2.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      1.042 ppm2      2.266 CV     1
 OR { 1417}
   (( segid "SAP" and resid 160  and name HB1 ))
   (  segid "SAP" and resid 155  and name HG1%)
 ASSI { 1425}
   (( segid "SAP" and resid 161  and name HB1 ))
   (  segid "SAP" and resid 182  and name HG1%)
      3.300     1.300     1.300 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      0.758 ppm2      2.656 CV     1
 OR { 1425}
   (( segid "SAP" and resid 177  and name HG1 ))
   (  segid "SAP" and resid 173  and name HD2%)
 OR { 1425}
   (( segid "SAP" and resid 161  and name HB2 ))
   (  segid "SAP" and resid 182  and name HG1%)
 ASSI { 1440}
   (( segid "SAP" and resid 147  and name HG2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.200     3.200     2.800 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.12495E-02 ppm1      1.215 ppm2      2.196 CV     1
 OR { 1440}
   (( segid "SAP" and resid 201  and name HG11))
   (  segid "SAP" and resid 198  and name HG2%)
 ASSI { 1444}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 169  and name HG2%)
      3.300     1.400     1.400 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.16042E-02 ppm1      1.071 ppm2      4.042 CV     1
 OR { 1444}
   (( segid "SAP" and resid 168  and name HD1 ))
   (  segid "SAP" and resid 169  and name HG2%)
 ASSI { 1446}
   (( segid "SAP" and resid 162  and name HG2 ))
   (  segid "SAP" and resid 169  and name HG2%)
      3.500     1.600     1.600 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.20675E-02 ppm1      1.069 ppm2      1.495 CV     1
 OR { 1446}
   (( segid "SAP" and resid 173  and name HB2 ))
   (  segid "SAP" and resid 169  and name HG2%)
 ASSI { 1461}
   (( segid "SAP" and resid 186  and name HB2 ))
   (  segid "SAP" and resid 182  and name HG2%)
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.47294E-03 ppm1     -0.191 ppm2      3.007 CV     1
 OR { 1461}
   (( segid "SAP" and resid 151  and name HB2 ))
   (  segid "SAP" and resid 182  and name HG2%)
 ASSI { 1464}
   (( segid "SAP" and resid 177  and name HG2 ))
   (  segid "SAP" and resid 176  and name HB% )
      3.400     1.500     1.500 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.84680E-03 ppm1      1.512 ppm2      2.398 CV     1
 OR { 1464}
   (( segid "SAP" and resid 180  and name HG1 ))
   (  segid "SAP" and resid 176  and name HB% )
 ASSI { 1467}
   (( segid "SAP" and resid 145  and name HA  ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.500     2.500     1.500 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.36109E-03 ppm1      0.892 ppm2      4.618 CV     1
 OR { 1467}
   (( segid "SAP" and resid 144  and name HA  ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI { 1477}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 146  and name HD1 ))
      1.400     0.200     0.800 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.78926E-01 ppm1      3.765 ppm2      3.678 CV     1
 OR { 1477}
   (( segid "SAP" and resid 139  and name HD2 ))
   (( segid "SAP" and resid 139  and name HD1 ))
 ASSI {   25}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 482  and name HG2 ))
      3.400     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.37146E-02 ppm1      2.061 ppm2      0.679 CV     1
 OR {   25}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 490  and name HB  ))
 ASSI {   44}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 486  and name HA  ))
      2.800     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.37893E-02 ppm1      3.505 ppm2      0.678 CV     1
 OR {   44}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HA  ))
 ASSI {   57}
   (  segid "SAP" and resid 191  and name HG1%)
   (  segid "PAH3" and resid 489  and name HG1%)
      2.900     1.100     1.100 peak    57 spectrum    1 weight  0.10000E+01 volume  0.75869E-02 ppm1      1.111 ppm2      0.746 CV     1
 OR {   57}
   (  segid "SAP" and resid 189  and name HG2%)
   (  segid "PAH3" and resid 489  and name HG1%)
 ASSI {   59}
   (  segid "SAP" and resid 189  and name HG2%)
   (  segid "PAH3" and resid 489  and name HG2%)
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.93073E-02 ppm1      1.008 ppm2      0.714 CV     1
 OR {   59}
   (  segid "SAP" and resid 189  and name HD1%)
   (  segid "PAH3" and resid 489  and name HG2%)
 OR {   59}
   (  segid "SAP" and resid 191  and name HG2%)
   (  segid "PAH3" and resid 489  and name HG2%)
 ASSI {   62}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "PAH3" and resid 490  and name HD1%)
      2.600     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.64485E-02 ppm1      1.063 ppm2      6.727 CV     1
 OR {   62}
   (  segid "SAP" and resid 165  and name HE% )
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {   64}
   (  segid "SAP" and resid 165  and name HE% )
   (  segid "PAH3" and resid 490  and name HG2%)
      2.300     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.71133E-02 ppm1      1.332 ppm2      6.722 CV     1
 OR {   64}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "PAH3" and resid 490  and name HG2%)
 ASSI {   74}
   (  segid "SAP" and resid 165  and name HE% )
   (  segid "PAH3" and resid 495  and name HG2%)
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.19944E-02 ppm1      0.273 ppm2      6.733 CV     1
 OR {   74}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "PAH3" and resid 495  and name HG2%)
 ASSI {   83}
   (  segid "SAP" and resid 148  and name HG2%)
   (  segid "PAH3" and resid 504  and name HD1%)
      3.300     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.37727E-02 ppm1      0.819 ppm2      0.670 CV     1
 OR {   83}
   (  segid "SAP" and resid 158  and name HD2%)
   (  segid "PAH3" and resid 504  and name HD1%)
 ASSI {  103}
   (( segid "SAP" and resid 204  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD1%)
      4.900     3.000     1.100 peak   103 spectrum    1 weight  0.10000E+01 volume  0.66729E-03 ppm1      0.487 ppm2      3.607 CV     1
 OR {  103}
   (( segid "SAP" and resid 200  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI {  112}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 489  and name HB  ))
      3.700     1.700     1.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.21440E-02 ppm1      2.419 ppm2      0.716 CV     1
 OR {  112}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 489  and name HB  ))
 OR {  112}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 489  and name HB  ))
 ASSI {  135}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.700     2.800     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.70800E-03 ppm1      0.735 ppm2      1.459 CV     1
 OR {  135}
   (  segid "SAP" and resid 157  and name HG2%)
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {  138}
   (( segid "SAP" and resid 152  and name HN  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.12880E-02 ppm1      0.718 ppm2      7.113 CV     1
 OR {  138}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {  140}
   (( segid "SAP" and resid 149  and name HN  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.600     2.700     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.51854E-03 ppm1      0.723 ppm2      9.129 CV     1
 OR {  140}
   (( segid "SAP" and resid 154  and name HN  ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {  146}
   (( segid "SAP" and resid 197  and name HN  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      4.200     2.200     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.82020E-03 ppm1      0.532 ppm2      8.500 CV     1
 OR {  146}
   (( segid "SAP" and resid 192  and name HN  ))
   (  segid "PAH3" and resid 485  and name HD1%)
 ASSI {  158}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HD2 ))
      3.300     1.400     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.21024E-02 ppm1      2.758 ppm2      0.729 CV     1
 OR {  158}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HD1 ))
 OR {  158}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HD2 ))
 OR {  158}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HD1 ))
 OR {  158}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 486  and name HD1 ))
 ASSI {  164}
   (  segid "SAP" and resid 189  and name HD1%)
   (  segid "PAH3" and resid 490  and name HD1%)
      3.400     1.500     1.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.27838E-02 ppm1      1.066 ppm2      0.714 CV     1
 OR {  164}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "PAH3" and resid 490  and name HD1%)
 OR {  164}
   (  segid "SAP" and resid 189  and name HG2%)
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {  172}
   (( segid "SAP" and resid 163  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      4.200     2.200     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      0.928 ppm2      1.912 CV     1
 OR {  172}
   (( segid "SAP" and resid 153  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG1%)
 OR {  172}
   (( segid "SAP" and resid 163  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG1%)
 OR {  172}
   (( segid "SAP" and resid 159  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
 ASSI {  175}
   (  segid "SAP" and resid 197  and name HD2%)
   (  segid "PAH3" and resid 488  and name HD2%)
      4.600     2.600     1.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.56756E-03 ppm1      0.029 ppm2     -0.019 CV     1
 OR {  175}
   (  segid "SAP" and resid 204  and name HG2%)
   (  segid "PAH3" and resid 488  and name HD2%)
 ASSI {  176}
   (( segid "SAP" and resid 160  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      5.000     3.200     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.58834E-03 ppm1      0.923 ppm2      2.131 CV     1
 OR {  176}
   (( segid "SAP" and resid 162  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
 ASSI {  185}
   (( segid "SAP" and resid 146  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG2 ))
      4.500     2.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.63155E-03 ppm1      1.944 ppm2      1.778 CV     1
 OR {  185}
   (( segid "SAP" and resid 146  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG1 ))
 OR {  185}
   (( segid "SAP" and resid 147  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HG2 ))
 ASSI {  188}
   (( segid "SAP" and resid 146  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
      4.400     2.500     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.41467E-03 ppm1      2.872 ppm2      1.901 CV     1
 OR {  188}
   (( segid "SAP" and resid 146  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
 OR {  188}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "PAH3" and resid 511  and name HE1 ))
 OR {  188}
   (( segid "SAP" and resid 146  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 OR {  188}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  189}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HB2 ))
      4.100     2.100     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.98887E-03 ppm1      0.936 ppm2      0.723 CV     1
 OR {  189}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HB2 ))
 OR {  189}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 486  and name HB2 ))
 ASSI {  190}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 486  and name HB1 ))
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.25179E-02 ppm1      1.750 ppm2      0.696 CV     1
 OR {  190}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HB1 ))
 OR {  190}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HB1 ))
 ASSI {  193}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 486  and name HA  ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.34985E-02 ppm1      3.504 ppm2      0.745 CV     1
 OR {  193}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HA  ))
 ASSI {  196}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "PAH3" and resid 490  and name HD1%)
      3.200     1.300     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.38308E-02 ppm1      1.061 ppm2      7.242 CV     1
 OR {  196}
   (  segid "SAP" and resid 161  and name HE% )
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {  101}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "SAP" and resid 201  and name HG2%)
      3.000     1.100     1.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.18365E-02 ppm1      7.244 ppm2      1.036 CV     1
 OR {  101}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HB2 ))
 ASSI {  168}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 486  and name HE  ))
      3.900     1.900     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      7.446 ppm2      0.680 CV     1
 OR {  168}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "PAH3" and resid 486  and name HE  ))
 ASSI {  195}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "PAH3" and resid 486  and name HE  ))
      3.400     1.400     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.17949E-02 ppm1      7.448 ppm2      0.743 CV     1
 OR {  195}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 486  and name HE  ))
 ASSI {   32}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 478  and name HA  ))
      2.000     0.500     0.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.24279E-01 ppm1      4.212 ppm2      1.519 CV     1
 OR {   32}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HA  ))
 ASSI {   45}
   (( segid "PAH3" and resid 498  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD2%)
      3.800     1.800     1.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.54285E-03 ppm1      0.350 ppm2      4.021 CV     1
 OR {   45}
   (( segid "PAH3" and resid 499  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD2%)
 ASSI {   50}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      4.200     2.200     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.57836E-03 ppm1      0.494 ppm2      1.830 CV     1
 OR {   50}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI {   52}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      3.900     1.900     1.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.68708E-03 ppm1      0.493 ppm2      2.253 CV     1
 OR {   52}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI {   76}
   (( segid "PAH3" and resid 465  and name HA  ))
   (( segid "PAH3" and resid 468  and name HB2 ))
      2.600     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.39862E-02 ppm1      3.017 ppm2      4.326 CV     1
 OR {   76}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 517  and name HB1 ))
 ASSI {   87}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (  segid "PAH3" and resid 515  and name HD2%)
      2.500     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.52473E-02 ppm1      0.447 ppm2      1.519 CV     1
 OR {   87}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (  segid "PAH3" and resid 515  and name HD2%)
 ASSI {   88}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (  segid "PAH3" and resid 515  and name HD2%)
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.31237E-02 ppm1      0.446 ppm2      1.786 CV     1
 OR {   88}
   (( segid "PAH3" and resid 471  and name HB  ))
   (  segid "PAH3" and resid 515  and name HD2%)
 ASSI {   96}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (  segid "PAH3" and resid 515  and name HD1%)
      2.200     0.600     0.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.10799E-01 ppm1      0.720 ppm2      1.521 CV     1
 OR {   96}
   (( segid "PAH3" and resid 470  and name HD1 ))
   (  segid "PAH3" and resid 515  and name HD1%)
 OR {   96}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (  segid "PAH3" and resid 515  and name HD1%)
 ASSI {  101}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 515  and name HB1 ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.26961E-02 ppm1      2.312 ppm2      0.451 CV     1
 OR {  101}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 515  and name HB1 ))
 ASSI {  122}
   (( segid "PAH3" and resid 513  and name HA  ))
   (( segid "PAH3" and resid 513  and name HG2 ))
      3.800     1.800     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      2.070 ppm2      4.322 CV     1
 OR {  122}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 513  and name HG2 ))
 ASSI {  166}
   (( segid "PAH3" and resid 516  and name HA  ))
   (  segid "PAH3" and resid 509  and name HD2%)
      3.800     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.37616E-03 ppm1      0.488 ppm2      4.883 CV     1
 OR {  166}
   (( segid "PAH3" and resid 505  and name HA  ))
   (  segid "PAH3" and resid 509  and name HD2%)
 ASSI {  198}
   (  segid "PAH3" and resid 461  and name HG2%)
   (  segid "PAH3" and resid 463  and name HG2%)
      3.100     1.200     1.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31310E-02 ppm1      1.298 ppm2      0.945 CV     1
 OR {  198}
   (  segid "PAH3" and resid 466  and name HD1%)
   (  segid "PAH3" and resid 463  and name HG2%)
 OR {  198}
   (  segid "PAH3" and resid 461  and name HG1%)
   (  segid "PAH3" and resid 463  and name HG2%)
 ASSI {  209}
   (( segid "PAH3" and resid 475  and name HA  ))
   (( segid "PAH3" and resid 475  and name HB1 ))
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.58779E-02 ppm1      1.750 ppm2      4.144 CV     1
 OR {  209}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 466  and name HB1 ))
 ASSI {  213}
   (( segid "PAH3" and resid 463  and name HB  ))
   (  segid "PAH3" and resid 466  and name HD1%)
      4.000     2.000     2.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.65011E-03 ppm1      0.942 ppm2      4.454 CV     1
 OR {  213}
   (( segid "PAH3" and resid 509  and name HA  ))
   (( segid "PAH3" and resid 511  and name HG1 ))
 ASSI {  214}
   (( segid "PAH3" and resid 463  and name HA  ))
   (  segid "PAH3" and resid 466  and name HD1%)
      3.600     1.600     1.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      0.941 ppm2      4.298 CV     1
 OR {  214}
   (( segid "PAH3" and resid 469  and name HA  ))
   (  segid "PAH3" and resid 466  and name HD1%)
 ASSI {  220}
   (( segid "PAH3" and resid 463  and name HB  ))
   (  segid "PAH3" and resid 466  and name HD2%)
      4.000     2.000     2.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.49066E-03 ppm1      0.882 ppm2      4.455 CV     1
 OR {  220}
   (( segid "PAH3" and resid 491  and name HA  ))
   (  segid "PAH3" and resid 501  and name HD1%)
 ASSI {  225}
   (( segid "PAH3" and resid 501  and name HG  ))
   (  segid "PAH3" and resid 501  and name HD1%)
      2.000     0.500     0.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.17032E-01 ppm1      0.885 ppm2      1.612 CV     1
 OR {  225}
   (( segid "PAH3" and resid 466  and name HG  ))
   (  segid "PAH3" and resid 466  and name HD2%)
 OR {  225}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (  segid "PAH3" and resid 466  and name HD2%)
 ASSI {  226}
   (  segid "PAH3" and resid 463  and name HG2%)
   (  segid "PAH3" and resid 466  and name HD2%)
      3.500     1.500     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1      0.885 ppm2      1.296 CV     1
 OR {  226}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (  segid "PAH3" and resid 466  and name HD2%)
 ASSI {  229}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (( segid "PAH3" and resid 486  and name HA  ))
      2.600     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.36673E-02 ppm1      3.528 ppm2      1.791 CV     1
 OR {  229}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 467  and name HA  ))
 ASSI {  259}
   (( segid "PAH3" and resid 472  and name HA  ))
   (  segid "PAH3" and resid 471  and name HG1%)
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.96391E-03 ppm1      0.206 ppm2      3.108 CV     1
 OR {  259}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (  segid "PAH3" and resid 471  and name HG1%)
 ASSI {  260}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG1%)
      4.000     2.000     2.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.71389E-03 ppm1      0.203 ppm2      2.977 CV     1
 OR {  260}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG1%)
 ASSI {  262}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG1%)
      3.800     1.800     1.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.62909E-03 ppm1      0.202 ppm2      1.507 CV     1
 OR {  262}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG1%)
 ASSI {  265}
   (  segid "PAH3" and resid 509  and name HD2%)
   (  segid "PAH3" and resid 471  and name HG1%)
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.57619E-02 ppm1      0.203 ppm2      0.479 CV     1
 OR {  265}
   (  segid "PAH3" and resid 515  and name HD2%)
   (  segid "PAH3" and resid 471  and name HG1%)
 ASSI {  271}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG2%)
      3.500     1.600     1.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1     -0.011 ppm2      1.512 CV     1
 OR {  271}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (  segid "PAH3" and resid 471  and name HG2%)
 OR {  271}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (  segid "PAH3" and resid 471  and name HG2%)
 ASSI {  274}
   (  segid "PAH3" and resid 515  and name HD2%)
   (  segid "PAH3" and resid 471  and name HG2%)
      2.200     0.600     0.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.88425E-02 ppm1     -0.015 ppm2      0.464 CV     1
 OR {  274}
   (  segid "PAH3" and resid 509  and name HD2%)
   (  segid "PAH3" and resid 471  and name HG2%)
 ASSI {  323}
   (( segid "PAH3" and resid 475  and name HA  ))
   (  segid "PAH3" and resid 475  and name HD2%)
      2.700     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.34716E-02 ppm1      0.677 ppm2      4.132 CV     1
 OR {  323}
   (( segid "PAH3" and resid 481  and name HA  ))
   (  segid "PAH3" and resid 475  and name HD2%)
 ASSI {  329}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (  segid "PAH3" and resid 505  and name HG2%)
      4.100     2.100     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.71824E-03 ppm1      1.044 ppm2      3.297 CV     1
 OR {  329}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (  segid "PAH3" and resid 489  and name HG2%)
 ASSI {  353}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HB1 ))
      3.600     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.22540E-02 ppm1      4.223 ppm2      1.533 CV     1
 OR {  353}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 477  and name HB1 ))
 ASSI {  359}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 479  and name HA  ))
      2.300     0.700     0.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10074E-01 ppm1      4.078 ppm2      1.942 CV     1
 OR {  359}
   (( segid "PAH3" and resid 479  and name HB2 ))
   (( segid "PAH3" and resid 479  and name HA  ))
 ASSI {  368}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 479  and name HG2 ))
      3.700     1.800     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.75376E-03 ppm1      2.351 ppm2      1.509 CV     1
 OR {  368}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 479  and name HG1 ))
 OR {  368}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (( segid "PAH3" and resid 514  and name HG2 ))
 ASSI {  370}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 480  and name HA  ))
      3.000     1.100     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14495E-02 ppm1      4.482 ppm2      3.103 CV     1
 OR {  370}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (( segid "PAH3" and resid 509  and name HA  ))
 ASSI {  375}
   (( segid "PAH3" and resid 481  and name HA  ))
   (  segid "PAH3" and resid 480  and name HB% )
      3.700     1.700     1.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      1.659 ppm2      4.112 CV     1
 OR {  375}
   (( segid "PAH3" and resid 475  and name HA  ))
   (  segid "PAH3" and resid 480  and name HB% )
 ASSI {  393}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (( segid "PAH3" and resid 482  and name HB1 ))
      2.200     0.600     0.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.15075E-01 ppm1      2.166 ppm2      2.470 CV     1
 OR {  393}
   (( segid "PAH3" and resid 514  and name HG1 ))
   (( segid "PAH3" and resid 514  and name HB2 ))
 OR {  393}
   (( segid "PAH3" and resid 514  and name HG1 ))
   (( segid "PAH3" and resid 514  and name HB1 ))
 ASSI {  401}
   (( segid "PAH3" and resid 495  and name HB  ))
   (( segid "PAH3" and resid 490  and name HB  ))
      1.900     0.500     0.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.18192E-01 ppm1      2.071 ppm2      1.942 CV     1
 OR {  401}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 482  and name HG2 ))
 ASSI {  420}
   (( segid "PAH3" and resid 506  and name HA  ))
   (  segid "PAH3" and resid 505  and name HG1%)
      3.800     1.800     1.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.58489E-03 ppm1      1.101 ppm2      3.839 CV     1
 OR {  420}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (  segid "PAH3" and resid 505  and name HG1%)
 ASSI {  423}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "PAH3" and resid 485  and name HD1%)
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.84800E-02 ppm1      0.545 ppm2      0.215 CV     1
 OR {  423}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 485  and name HD1%)
 ASSI {  424}
   (( segid "PAH3" and resid 482  and name HA  ))
   (  segid "PAH3" and resid 485  and name HD2%)
      3.800     1.800     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.15293E-02 ppm1      0.463 ppm2      3.650 CV     1
 OR {  424}
   (( segid "PAH3" and resid 484  and name HA  ))
   (  segid "PAH3" and resid 485  and name HD2%)
 ASSI {  440}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      3.900     1.900     1.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.71679E-03 ppm1      0.733 ppm2      4.107 CV     1
 OR {  440}
   (( segid "PAH3" and resid 503  and name HA  ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {  452}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (  segid "PAH3" and resid 504  and name HD1%)
      4.100     2.100     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.76826E-03 ppm1      0.829 ppm2      2.216 CV     1
 OR {  452}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 504  and name HD1%)
 ASSI {  516}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 495  and name HB  ))
      2.400     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.40804E-02 ppm1      1.944 ppm2      0.939 CV     1
 OR {  516}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HB1 ))
 ASSI {  519}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (  segid "PAH3" and resid 502  and name HG2%)
      3.300     1.300     1.300 peak   519 spectrum    1 weight  0.10000E+01 volume  0.12611E-02 ppm1      0.612 ppm2      1.763 CV     1
 OR {  519}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI {  527}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (  segid "PAH3" and resid 502  and name HG1%)
      4.100     2.100     1.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.62257E-03 ppm1      0.718 ppm2      1.579 CV     1
 OR {  527}
   (( segid "PAH3" and resid 501  and name HG  ))
   (  segid "PAH3" and resid 502  and name HG1%)
 OR {  527}
   (  segid "PAH3" and resid 499  and name HB% )
   (  segid "PAH3" and resid 502  and name HG1%)
 ASSI {  543}
   (( segid "PAH3" and resid 496  and name HG11))
   (  segid "PAH3" and resid 496  and name HG2%)
      3.900     1.900     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.99291E-03 ppm1      0.815 ppm2      1.769 CV     1
 OR {  543}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (  segid "PAH3" and resid 496  and name HG2%)
 ASSI {  546}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "PAH3" and resid 496  and name HD1%)
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.26164E-02 ppm1      0.977 ppm2      2.283 CV     1
 OR {  546}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 496  and name HD1%)
 ASSI {  562}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (( segid "PAH3" and resid 500  and name HA  ))
      2.800     1.000     1.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.37616E-02 ppm1      4.005 ppm2      2.464 CV     1
 OR {  562}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 500  and name HA  ))
 OR {  562}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 500  and name HA  ))
 ASSI {  563}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (( segid "PAH3" and resid 501  and name HA  ))
      2.500     0.800     0.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.88425E-02 ppm1      4.006 ppm2      2.272 CV     1
 OR {  563}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (( segid "PAH3" and resid 500  and name HA  ))
 OR {  563}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (( segid "PAH3" and resid 500  and name HA  ))
 ASSI {  567}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (  segid "PAH3" and resid 501  and name HD1%)
      2.900     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.39427E-02 ppm1      0.895 ppm2      2.232 CV     1
 OR {  567}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 501  and name HD1%)
 ASSI {  641}
   (( segid "PAH3" and resid 484  and name HB1 ))
   (( segid "PAH3" and resid 481  and name HA  ))
      2.500     0.800     0.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.60155E-02 ppm1      4.123 ppm2      3.172 CV     1
 OR {  641}
   (( segid "PAH3" and resid 481  and name HB1 ))
   (( segid "PAH3" and resid 481  and name HA  ))
 ASSI {  724}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (  segid "PAH3" and resid 502  and name HG2%)
      3.000     1.100     1.100 peak   724 spectrum    1 weight  0.10000E+01 volume  0.21888E-02 ppm1      0.613 ppm2     -0.532 CV     1
 OR {  724}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 502  and name HG2%)
 OR {  724}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI {  756}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG1 ))
      3.300     1.300     1.300 peak   756 spectrum    1 weight  0.10000E+01 volume  0.30078E-02 ppm1      1.953 ppm2      4.264 CV     1
 OR {  756}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG1 ))
 OR {  756}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG2 ))
 OR {  756}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG2 ))
 ASSI {  764}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 509  and name HD2%)
      3.500     1.500     1.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10799E-02 ppm1      0.485 ppm2     -1.050 CV     1
 OR {  764}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 509  and name HD2%)
 ASSI {  825}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HA  ))
      2.800     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      4.654 ppm2      1.519 CV     1
 OR {  825}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 477  and name HA  ))
 ASSI {  828}
   (( segid "PAH3" and resid 513  and name HB1 ))
   (( segid "PAH3" and resid 513  and name HG1 ))
      2.100     0.500     0.500 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10799E-01 ppm1      2.218 ppm2      2.496 CV     1
 OR {  828}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HB1 ))
 ASSI {  850}
   (  segid "PAH3" and resid 496  and name HD1%)
   (  segid "PAH3" and resid 496  and name HG2%)
      2.400     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.49719E-02 ppm1      0.811 ppm2      0.945 CV     1
 OR {  850}
   (  segid "PAH3" and resid 495  and name HG1%)
   (  segid "PAH3" and resid 496  and name HG2%)
 ASSI {  852}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (  segid "PAH3" and resid 474  and name HB% )
      3.500     1.500     1.500 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      0.308 ppm2      1.812 CV     1
 OR {  852}
   (( segid "PAH3" and resid 475  and name HG  ))
   (  segid "PAH3" and resid 474  and name HB% )
 ASSI {  853}
   (  segid "PAH3" and resid 475  and name HD2%)
   (  segid "PAH3" and resid 474  and name HB% )
      3.600     1.600     1.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      0.306 ppm2      0.696 CV     1
 OR {  853}
   (  segid "PAH3" and resid 515  and name HD1%)
   (  segid "PAH3" and resid 474  and name HB% )
 ASSI {  860}
   (( segid "PAH3" and resid 501  and name HA  ))
   (  segid "PAH3" and resid 496  and name HD1%)
      2.700     0.900     0.900 peak   860 spectrum    1 weight  0.10000E+01 volume  0.27758E-02 ppm1      0.974 ppm2      4.052 CV     1
 OR {  860}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "PAH3" and resid 496  and name HD1%)
 ASSI {  887}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HE2 ))
      3.400     1.500     1.500 peak   887 spectrum    1 weight  0.10000E+01 volume  0.24279E-02 ppm1      2.789 ppm2      1.776 CV     1
 OR {  887}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 OR {  887}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 ASSI {  889}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HE1 ))
      3.200     1.300     1.300 peak   889 spectrum    1 weight  0.10000E+01 volume  0.22105E-02 ppm1      2.864 ppm2      1.674 CV     1
 OR {  889}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HE2 ))
 OR {  889}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HE1 ))
 OR {  889}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HE2 ))
 ASSI {  890}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
      2.000     0.500     0.500 peak   890 spectrum    1 weight  0.10000E+01 volume  0.18917E-01 ppm1      2.865 ppm2      1.495 CV     1
 OR {  890}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
 OR {  890}
   (( segid "PAH3" and resid 473  and name HD2 ))
   (( segid "PAH3" and resid 473  and name HE1 ))
 OR {  890}
   (( segid "PAH3" and resid 473  and name HD1 ))
   (( segid "PAH3" and resid 473  and name HE2 ))
 OR {  890}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
 OR {  890}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 OR {  890}
   (( segid "PAH3" and resid 473  and name HD2 ))
   (( segid "PAH3" and resid 473  and name HE2 ))
 ASSI {  891}
   (( segid "PAH3" and resid 473  and name HA  ))
   (( segid "PAH3" and resid 473  and name HE2 ))
      4.100     2.100     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.53850E-03 ppm1      2.864 ppm2      3.805 CV     1
 OR {  891}
   (( segid "PAH3" and resid 473  and name HA  ))
   (( segid "PAH3" and resid 473  and name HE1 ))
 OR {  891}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  895}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 475  and name HB2 ))
      2.800     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.20438E-02 ppm1      1.515 ppm2      0.700 CV     1
 OR {  895}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 515  and name HB2 ))
 ASSI {  913}
   (( segid "PAH3" and resid 496  and name HG11))
   (( segid "PAH3" and resid 496  and name HB  ))
      2.800     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.15075E-02 ppm1      2.277 ppm2      1.777 CV     1
 OR {  913}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 496  and name HB  ))
 ASSI {  916}
   (( segid "PAH3" and resid 498  and name HA  ))
   (( segid "PAH3" and resid 501  and name HB1 ))
      3.300     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      2.253 ppm2      4.029 CV     1
 OR {  916}
   (( segid "PAH3" and resid 501  and name HA  ))
   (( segid "PAH3" and resid 501  and name HB1 ))
 ASSI {  917}
   (( segid "PAH3" and resid 501  and name HA  ))
   (( segid "PAH3" and resid 501  and name HB2 ))
      3.100     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      1.456 ppm2      4.041 CV     1
 OR {  917}
   (( segid "PAH3" and resid 498  and name HA  ))
   (( segid "PAH3" and resid 501  and name HB2 ))
 ASSI {  928}
   (( segid "PAH3" and resid 520  and name HA  ))
   (( segid "PAH3" and resid 525  and name HB2 ))
      4.200     2.200     1.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.34498E-03 ppm1      2.548 ppm2      3.590 CV     1
 OR {  928}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HB1 ))
 ASSI {  932}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 508  and name HB2 ))
      3.600     1.600     1.600 peak   932 spectrum    1 weight  0.10000E+01 volume  0.49284E-03 ppm1      2.967 ppm2      1.019 CV     1
 OR {  932}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 508  and name HB2 ))
 ASSI {  936}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 520  and name HE2 ))
      3.500     1.600     1.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      1.662 ppm2      0.614 CV     1
 OR {  936}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 520  and name HE2 ))
 ASSI {  945}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 520  and name HD1 ))
      3.800     1.800     1.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      1.298 ppm2      0.614 CV     1
 OR {  945}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 520  and name HD1 ))
 ASSI {  950}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 520  and name HE1 ))
      3.500     1.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      1.762 ppm2      0.616 CV     1
 OR {  950}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 520  and name HE1 ))
 ASSI {  956}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 483  and name HB2 ))
      2.800     1.000     1.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.22323E-02 ppm1      2.750 ppm2      4.497 CV     1
 OR {  956}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "PAH3" and resid 483  and name HB2 ))
 ASSI {  966}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 484  and name HB1 ))
      4.000     2.000     2.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.52835E-03 ppm1      3.203 ppm2      0.194 CV     1
 OR {  966}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 481  and name HB1 ))
 ASSI {  981}
   (( segid "PAH3" and resid 470  and name HD2 ))
   (( segid "PAH3" and resid 470  and name HA  ))
      3.500     1.600     1.600 peak   981 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      3.697 ppm2      1.423 CV     1
 OR {  981}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HA  ))
 ASSI {  992}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HG2 ))
      1.600     0.300     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.43776E-01 ppm1      1.277 ppm2      1.534 CV     1
 OR {  992}
   (( segid "PAH3" and resid 473  and name HD1 ))
   (( segid "PAH3" and resid 473  and name HG2 ))
 OR {  992}
   (( segid "PAH3" and resid 473  and name HD2 ))
   (( segid "PAH3" and resid 473  and name HG2 ))
 OR {  992}
   (( segid "PAH3" and resid 470  and name HD1 ))
   (( segid "PAH3" and resid 470  and name HG2 ))
 ASSI {  996}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HD1 ))
      1.900     0.400     0.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.24859E-01 ppm1      1.512 ppm2      1.274 CV     1
 OR {  996}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HD2 ))
 OR {  996}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HD1 ))
 ASSI { 1025}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 507  and name HA  ))
      3.200     1.300     1.300 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.11959E-02 ppm1      4.263 ppm2      3.818 CV     1
 OR { 1025}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 507  and name HA  ))
 ASSI { 1042}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 506  and name HB1 ))
      2.000     0.500     0.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.12031E-01 ppm1      4.255 ppm2      3.824 CV     1
 OR { 1042}
   (( segid "PAH3" and resid 506  and name HA  ))
   (( segid "PAH3" and resid 506  and name HB2 ))
 OR { 1042}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 506  and name HB2 ))
 ASSI { 1047}
   (( segid "PAH3" and resid 458  and name HG1 ))
   (( segid "PAH3" and resid 458  and name HB2 ))
      2.300     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      1.686 ppm2      1.398 CV     1
 OR { 1047}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HB1 ))
 ASSI { 1049}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HB1 ))
      2.300     0.700     0.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.79726E-02 ppm1      1.687 ppm2      1.307 CV     1
 OR { 1049}
   (( segid "PAH3" and resid 458  and name HG2 ))
   (( segid "PAH3" and resid 458  and name HB2 ))
 ASSI { 1077}
   (( segid "PAH3" and resid 520  and name HD1 ))
   (( segid "PAH3" and resid 520  and name HA  ))
      3.400     1.500     1.500 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.84800E-03 ppm1      3.581 ppm2      1.298 CV     1
 OR { 1077}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 520  and name HA  ))
 ASSI { 1085}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HA  ))
      2.600     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.33194E-02 ppm1      4.021 ppm2      2.249 CV     1
 OR { 1085}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 498  and name HA  ))
 ASSI { 1107}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HB1 ))
      1.900     0.500     0.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.13190E-01 ppm1      1.478 ppm2      0.975 CV     1
 OR { 1107}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI { 1108}
   (( segid "PAH3" and resid 511  and name HE2 ))
   (( segid "PAH3" and resid 511  and name HD2 ))
      2.100     0.500     0.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.16090E-01 ppm1      1.484 ppm2      2.862 CV     1
 OR { 1108}
   (( segid "PAH3" and resid 511  and name HE1 ))
   (( segid "PAH3" and resid 511  and name HD1 ))
 OR { 1108}
   (( segid "PAH3" and resid 473  and name HE1 ))
   (( segid "PAH3" and resid 473  and name HD2 ))
 OR { 1108}
   (( segid "PAH3" and resid 473  and name HE2 ))
   (( segid "PAH3" and resid 473  and name HD1 ))
 OR { 1108}
   (( segid "PAH3" and resid 511  and name HE1 ))
   (( segid "PAH3" and resid 511  and name HD2 ))
 OR { 1108}
   (( segid "PAH3" and resid 511  and name HE2 ))
   (( segid "PAH3" and resid 511  and name HD1 ))
 OR { 1108}
   (( segid "PAH3" and resid 473  and name HE2 ))
   (( segid "PAH3" and resid 473  and name HD2 ))
 OR { 1108}
   (( segid "PAH3" and resid 473  and name HE1 ))
   (( segid "PAH3" and resid 473  and name HD1 ))
 ASSI { 1109}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (( segid "PAH3" and resid 501  and name HA  ))
      3.100     1.200     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.14713E-02 ppm1      4.012 ppm2      1.746 CV     1
 OR { 1109}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 500  and name HA  ))
 ASSI { 1114}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HB1 ))
      1.900     0.400     0.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.27396E-01 ppm1      2.214 ppm2      2.469 CV     1
 OR { 1114}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 503  and name HB2 ))
 OR { 1114}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 503  and name HB2 ))
 ASSI { 1120}
   (( segid "PAH3" and resid 500  and name HA  ))
   (( segid "PAH3" and resid 503  and name HB1 ))
      3.400     1.400     1.400 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.20656E-02 ppm1      2.284 ppm2      4.010 CV     1
 OR { 1120}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (( segid "PAH3" and resid 464  and name HB1 ))
 ASSI { 1132}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 501  and name HG  ))
      2.200     0.600     0.600 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.10292E-01 ppm1      1.636 ppm2      0.900 CV     1
 OR { 1132}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 466  and name HG  ))
 ASSI { 1138}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 475  and name HG  ))
      3.900     1.900     1.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10292E-02 ppm1      1.828 ppm2      0.200 CV     1
 OR { 1138}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 515  and name HG  ))
 ASSI { 1141}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 475  and name HG  ))
      4.600     2.600     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.37253E-03 ppm1      1.840 ppm2      0.310 CV     1
 OR { 1141}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 515  and name HG  ))
 ASSI { 1142}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HG  ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.35006E-02 ppm1      1.840 ppm2      1.513 CV     1
 OR { 1142}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 475  and name HG  ))
 ASSI { 1145}
   (  segid "PAH3" and resid 523  and name HD1%)
   (( segid "PAH3" and resid 523  and name HG  ))
      2.300     0.700     0.700 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.71389E-02 ppm1      1.372 ppm2      0.487 CV     1
 OR { 1145}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 509  and name HG  ))
 ASSI { 1149}
   (( segid "PAH3" and resid 520  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD2%)
      3.400     1.400     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.14350E-02 ppm1      0.357 ppm2      3.588 CV     1
 OR { 1149}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD2%)
 OR { 1149}
   (( segid "PAH3" and resid 502  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD2%)
 ASSI { 1152}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD2%)
      4.000     2.000     2.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.43051E-03 ppm1      0.358 ppm2      2.256 CV     1
 OR { 1152}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (  segid "PAH3" and resid 523  and name HD2%)
 ASSI { 1155}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 487  and name HB2 ))
      3.900     1.900     1.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.94941E-03 ppm1      2.222 ppm2      1.043 CV     1
 OR { 1155}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "PAH3" and resid 487  and name HB2 ))
 ASSI { 1160}
   (( segid "PAH3" and resid 498  and name HA  ))
   (  segid "PAH3" and resid 501  and name HD2%)
      3.800     1.800     1.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.76826E-03 ppm1      0.550 ppm2      4.029 CV     1
 OR { 1160}
   (( segid "PAH3" and resid 501  and name HA  ))
   (  segid "PAH3" and resid 501  and name HD2%)
 ASSI { 1162}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 490  and name HG12))
      4.200     2.200     1.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.55082E-03 ppm1      1.696 ppm2      0.975 CV     1
 OR { 1162}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 490  and name HG12))
 ASSI { 1172}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (  segid "PAH3" and resid 475  and name HD2%)
      3.800     1.800     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.88425E-03 ppm1      0.684 ppm2      2.971 CV     1
 OR { 1172}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (  segid "PAH3" and resid 475  and name HD2%)
 ASSI { 1191}
   (( segid "PAH3" and resid 498  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD1%)
      4.700     2.800     1.300 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.21670E-03 ppm1      0.496 ppm2      4.022 CV     1
 OR { 1191}
   (( segid "PAH3" and resid 499  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD1%)
 OR { 1191}
   (( segid "PAH3" and resid 501  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI { 1200}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.100     2.100     1.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.57691E-03 ppm1      0.733 ppm2      2.295 CV     1
 OR { 1200}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "PAH3" and resid 504  and name HD2%)
 OR { 1200}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI { 1201}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.000     2.000     2.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.56604E-03 ppm1      0.735 ppm2      2.210 CV     1
 OR { 1201}
   (( segid "PAH3" and resid 503  and name HB2 ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI { 1204}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (  segid "PAH3" and resid 509  and name HD2%)
      3.700     1.700     1.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.52980E-03 ppm1      0.482 ppm2      3.124 CV     1
 OR { 1204}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (  segid "PAH3" and resid 509  and name HD2%)
 ASSI { 1216}
   (( segid "PAH3" and resid 467  and name HB1 ))
   (  segid "PAH3" and resid 515  and name HD1%)
      4.800     2.900     1.200 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.39427E-03 ppm1      0.709 ppm2      2.171 CV     1
 OR { 1216}
   (( segid "PAH3" and resid 514  and name HB1 ))
   (  segid "PAH3" and resid 515  and name HD1%)
 ASSI { 1221}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (  segid "PAH3" and resid 502  and name HG2%)
      4.300     2.300     1.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.45080E-03 ppm1      0.606 ppm2      4.266 CV     1
 OR { 1221}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (  segid "PAH3" and resid 502  and name HG2%)
 OR { 1221}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI { 1225}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (  segid "PAH3" and resid 502  and name HG2%)
      4.400     2.400     1.600 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.36601E-03 ppm1      0.608 ppm2      1.392 CV     1
 OR { 1225}
   (( segid "PAH3" and resid 523  and name HG  ))
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI { 1226}
   (( segid "PAH3" and resid 490  and name HA  ))
   (  segid "PAH3" and resid 489  and name HG2%)
      3.900     1.900     1.900 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.67838E-03 ppm1      1.012 ppm2      4.097 CV     1
 OR { 1226}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "PAH3" and resid 489  and name HG2%)
 ASSI { 1227}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "PAH3" and resid 489  and name HG2%)
      3.500     1.500     1.500 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      1.010 ppm2      0.254 CV     1
 OR { 1227}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "PAH3" and resid 505  and name HG2%)
 ASSI { 1237}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (  segid "PAH3" and resid 499  and name HB% )
      3.700     1.700     1.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.67983E-03 ppm1      1.568 ppm2      2.455 CV     1
 OR { 1237}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (  segid "PAH3" and resid 499  and name HB% )
 ASSI {    1}
   (  segid "SAP" and resid 165  and name HE% )
   (  segid "SAP" and resid 189  and name HG2%)
      3.800     1.800     1.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.61556E-03 ppm1      6.720 ppm2      0.691 CV     1
 OR {    1}
   (  segid "SAP" and resid 165  and name HE% )
   (  segid "SAP" and resid 189  and name HD1%)
 OR {    1}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {    4}
   (  segid "SAP" and resid 161  and name HE% )
   (  segid "SAP" and resid 189  and name HD1%)
      2.900     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      7.225 ppm2      0.700 CV     1
 OR {    4}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {    8}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 148  and name HB  ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.97198E-03 ppm1      7.113 ppm2      1.821 CV     1
 OR {    8}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HB1 ))
 ASSI {   10}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 182  and name HA  ))
      2.700     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.39364E-02 ppm1      6.722 ppm2      3.318 CV     1
 OR {   10}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 185  and name HB1 ))
 ASSI {   11}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 162  and name HA  ))
      2.700     0.900     0.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.28592E-02 ppm1      6.720 ppm2      3.953 CV     1
 OR {   11}
   (( segid "SAP" and resid 164  and name HD2 ))
   (( segid "SAP" and resid 164  and name HA  ))
 ASSI {   16}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 183  and name HA1 ))
      3.500     1.600     1.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.15794E-02 ppm1      7.226 ppm2      3.888 CV     1
 OR {   16}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 187  and name HA  ))
 OR {   16}
   (  segid "SAP" and resid 161  and name HE% )
   (( segid "SAP" and resid 161  and name HA  ))
 ASSI {   25}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 150  and name HD1%)
      4.100     2.100     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.44061E-03 ppm1      7.226 ppm2      0.451 CV     1
 OR {   25}
   (  segid "SAP" and resid 161  and name HE% )
   (( segid "SAP" and resid 189  and name HG12))
 OR {   25}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 189  and name HG12))
 ASSI {   28}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HB1 ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.21140E-02 ppm1      7.228 ppm2      3.359 CV     1
 OR {   28}
   (  segid "SAP" and resid 161  and name HE% )
   (( segid "SAP" and resid 185  and name HB1 ))
 ASSI {   33}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 148  and name HG2%)
      2.800     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.32236E-02 ppm1      7.120 ppm2      0.672 CV     1
 OR {   33}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {   37}
   (( segid "SAP" and resid 186  and name HZ  ))
   (  segid "SAP" and resid 148  and name HG2%)
      3.200     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17009E-02 ppm1      7.467 ppm2      0.670 CV     1
 OR {   37}
   (( segid "SAP" and resid 186  and name HZ  ))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {   40}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 197  and name HD2%)
      3.800     1.800     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.48030E-03 ppm1      7.660 ppm2     -0.041 CV     1
 OR {   40}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 204  and name HG2%)
 ASSI {   61}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 179  and name HB  ))
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.83425E-03 ppm1      6.713 ppm2      1.932 CV     1
 OR {   61}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 181  and name HB  ))
 OR {   61}
   (  segid "SAP" and resid 165  and name HE% )
   (( segid "SAP" and resid 190  and name HG1 ))
 OR {   61}
   (  segid "SAP" and resid 165  and name HE% )
   (( segid "SAP" and resid 190  and name HG2 ))
 OR {   61}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 163  and name HB2 ))
 ASSI {   62}
   (  segid "SAP" and resid 151  and name HE% )
   (  segid "SAP" and resid 176  and name HB% )
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.27863E-02 ppm1      6.711 ppm2      1.521 CV     1
 OR {   62}
   (  segid "SAP" and resid 165  and name HE% )
   (( segid "SAP" and resid 189  and name HG11))
 ASSI {   67}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 175  and name HD2 ))
      3.600     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.14418E-02 ppm1      6.713 ppm2      1.559 CV     1
 OR {   67}
   (( segid "SAP" and resid 164  and name HD2 ))
   (( segid "SAP" and resid 160  and name HG2 ))
 OR {   67}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 175  and name HD1 ))
 OR {   67}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 160  and name HG2 ))
 OR {   67}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 158  and name HG  ))
 ASSI {   81}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 152  and name HA  ))
      3.300     1.400     1.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      7.123 ppm2      4.059 CV     1
 OR {   81}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 186  and name HA  ))
 ASSI {    3}
   (( segid "PAH3" and resid 479  and name HA  ))
   (  segid "SAP" and resid 145  and name HG2%)
      4.900     3.000     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.57213E-03 ppm1      1.229 ppm2      4.086 CV     1
 ASSI {    4}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.700     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.93589E-03 ppm1      1.232 ppm2      2.106 CV     1
 ASSI {    5}
   (( segid "PAH3" and resid 479  and name HB2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.300     1.400     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.12238E-02 ppm1      1.231 ppm2      1.943 CV     1
 ASSI {    6}
   (( segid "PAH3" and resid 479  and name HG2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.700     1.800     1.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15345E-02 ppm1      1.231 ppm2      2.344 CV     1
 OR {    6}
   (( segid "PAH3" and resid 479  and name HG1 ))
   (  segid "SAP" and resid 145  and name HG2%)
 ASSI {    7}
   (( segid "PAH3" and resid 480  and name HA  ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.500     1.600     1.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10609E-02 ppm1      1.230 ppm2      4.486 CV     1
 ASSI {    8}
   (  segid "PAH3" and resid 480  and name HB% )
   (  segid "SAP" and resid 145  and name HG2%)
      3.100     1.200     1.200 peak     8 spectrum    1 weight  0.10000E+01 volume  0.29933E-02 ppm1      1.227 ppm2      1.663 CV     1
 ASSI {   10}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "SAP" and resid 145  and name HG2%)
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.58350E-03 ppm1      1.234 ppm2      7.433 CV     1
 ASSI {   11}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.100     3.100     2.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.73506E-03 ppm1      1.234 ppm2      7.148 CV     1
 ASSI {   12}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HB1 ))
      4.100     2.100     1.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      1.757 ppm2      7.214 CV     1
 ASSI {   13}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 146  and name HB1 ))
      4.600     2.600     1.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.82603E-03 ppm1      1.760 ppm2      7.424 CV     1
 ASSI {   15}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HB2 ))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10154E-02 ppm1      1.059 ppm2      7.206 CV     1
 ASSI {   16}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 146  and name HB2 ))
      3.200     1.300     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.67443E-03 ppm1      1.065 ppm2      7.426 CV     1
 ASSI {   18}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "SAP" and resid 146  and name HD2 ))
      5.500     3.800     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.35238E-03 ppm1      3.697 ppm2      0.994 CV     1
 ASSI {   19}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "SAP" and resid 146  and name HD2 ))
      2.600     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      3.699 ppm2      1.654 CV     1
 ASSI {   20}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "SAP" and resid 146  and name HG2 ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      1.873 ppm2      0.987 CV     1
 OR {   20}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {   21}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "SAP" and resid 146  and name HG2 ))
      3.300     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      1.876 ppm2      1.640 CV     1
 OR {   21}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {   22}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 146  and name HG1 ))
      5.200     3.400     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.35540E-03 ppm1      1.867 ppm2      2.223 CV     1
 OR {   22}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI {   23}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG2 ))
      4.000     2.000     2.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      1.873 ppm2      1.090 CV     1
 OR {   23}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {   24}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HG2 ))
      2.500     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.44331E-02 ppm1      1.864 ppm2      7.224 CV     1
 OR {   24}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {   25}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 146  and name HG2 ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.26902E-02 ppm1      1.872 ppm2      7.430 CV     1
 ASSI {   27}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 148  and name HA  ))
      3.600     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.48498E-03 ppm1      3.908 ppm2      7.430 CV     1
 ASSI {   34}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG1%)
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.21180E-02 ppm1      0.978 ppm2      2.742 CV     1
 ASSI {   36}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG1%)
      4.300     2.300     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      0.975 ppm2      1.717 CV     1
 ASSI {   38}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "SAP" and resid 148  and name HG1%)
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.35767E-02 ppm1      0.977 ppm2      7.235 CV     1
 ASSI {   39}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "SAP" and resid 148  and name HG1%)
      3.200     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.58729E-02 ppm1      0.978 ppm2      7.431 CV     1
 ASSI {   40}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (  segid "SAP" and resid 148  and name HG1%)
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.74642E-02 ppm1      0.976 ppm2      7.144 CV     1
 ASSI {   42}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG2%)
      4.600     2.600     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.71232E-03 ppm1      0.672 ppm2      2.756 CV     1
 ASSI {   43}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      3.400     1.400     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15687E-02 ppm1      0.671 ppm2      4.253 CV     1
 ASSI {   45}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (  segid "SAP" and resid 148  and name HG2%)
      3.800     1.800     1.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.27432E-02 ppm1      0.672 ppm2      1.711 CV     1
 ASSI {   46}
   (  segid "PAH3" and resid 504  and name HD1%)
   (  segid "SAP" and resid 148  and name HG2%)
      3.200     1.300     1.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.36261E-02 ppm1      0.671 ppm2      0.828 CV     1
 ASSI {   47}
   (  segid "PAH3" and resid 504  and name HD2%)
   (  segid "SAP" and resid 148  and name HG2%)
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.60244E-02 ppm1      0.675 ppm2      0.715 CV     1
 ASSI {   49}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "SAP" and resid 148  and name HG2%)
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.34480E-02 ppm1      0.678 ppm2      7.425 CV     1
 ASSI {   50}
   (( segid "PAH3" and resid 483  and name HD22))
   (  segid "SAP" and resid 148  and name HG2%)
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.26296E-02 ppm1      0.677 ppm2      7.159 CV     1
 ASSI {   51}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "SAP" and resid 150  and name HA  ))
      5.000     3.200     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.40163E-03 ppm1      3.807 ppm2      0.821 CV     1
 ASSI {   53}
   (  segid "PAH3" and resid 490  and name HD1%)
   (  segid "SAP" and resid 150  and name HD2%)
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11215E-02 ppm1      0.200 ppm2      1.061 CV     1
 ASSI {   54}
   (  segid "PAH3" and resid 504  and name HD1%)
   (  segid "SAP" and resid 150  and name HD2%)
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.40542E-02 ppm1      0.198 ppm2      0.817 CV     1
 ASSI {   55}
   (  segid "PAH3" and resid 504  and name HD2%)
   (  segid "SAP" and resid 150  and name HD2%)
      2.500     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.45847E-02 ppm1      0.197 ppm2      0.718 CV     1
 ASSI {   57}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HG1 ))
      3.400     1.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.90555E-03 ppm1      2.333 ppm2      0.712 CV     1
 ASSI {   60}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
      6.000     4.600     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.46604E-03 ppm1      0.894 ppm2      4.237 CV     1
 ASSI {   61}
   (  segid "PAH3" and resid 504  and name HD2%)
   (  segid "SAP" and resid 153  and name HD1%)
      2.500     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.57213E-02 ppm1      0.896 ppm2      0.712 CV     1
 ASSI {   64}
   (( segid "PAH3" and resid 496  and name HA  ))
   (  segid "SAP" and resid 157  and name HG2%)
      2.900     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      1.454 ppm2      5.070 CV     1
 ASSI {   65}
   (  segid "PAH3" and resid 496  and name HG2%)
   (  segid "SAP" and resid 157  and name HG2%)
      2.300     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.79950E-02 ppm1      1.451 ppm2      0.789 CV     1
 ASSI {   66}
   (( segid "PAH3" and resid 495  and name HA  ))
   (( segid "SAP" and resid 160  and name HG1 ))
      5.300     3.500     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.48877E-03 ppm1      1.881 ppm2      3.464 CV     1
 ASSI {   67}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HG1 ))
      3.400     1.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.42437E-03 ppm1      1.884 ppm2      0.922 CV     1
 ASSI {   68}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 160  and name HG1 ))
      3.700     1.700     1.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.26826E-03 ppm1      1.861 ppm2      0.275 CV     1
 ASSI {   69}
   (( segid "PAH3" and resid 495  and name HA  ))
   (( segid "SAP" and resid 160  and name HG2 ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.91690E-03 ppm1      1.565 ppm2      3.477 CV     1
 ASSI {   72}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HD1 ))
      3.200     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.16255E-02 ppm1      3.464 ppm2      0.930 CV     1
 OR {   72}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HD2 ))
 ASSI {   73}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 160  and name HD2 ))
      3.600     1.600     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11329E-02 ppm1      3.466 ppm2      0.278 CV     1
 ASSI {   78}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 164  and name HB2 ))
      3.600     1.700     1.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.73506E-03 ppm1      2.608 ppm2      0.265 CV     1
 ASSI {   81}
   (  segid "PAH3" and resid 489  and name HG2%)
   (  segid "SAP" and resid 189  and name HD1%)
      2.900     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.29743E-02 ppm1      0.693 ppm2      1.003 CV     1
 ASSI {   83}
   (  segid "PAH3" and resid 490  and name HG2%)
   (  segid "SAP" and resid 189  and name HD1%)
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34063E-02 ppm1      0.694 ppm2      1.329 CV     1
 ASSI {   84}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (  segid "SAP" and resid 189  and name HG2%)
      4.500     2.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.58350E-03 ppm1      0.725 ppm2      1.796 CV     1
 ASSI {   85}
   (( segid "PAH3" and resid 486  and name HA  ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10344E-02 ppm1      0.725 ppm2      3.504 CV     1
 ASSI {   86}
   (( segid "PAH3" and resid 489  and name HA  ))
   (  segid "SAP" and resid 189  and name HG2%)
      5.200     3.300     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.52287E-03 ppm1      0.727 ppm2      3.765 CV     1
 ASSI {   87}
   (( segid "PAH3" and resid 489  and name HB  ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.900     1.900     1.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      0.724 ppm2      2.425 CV     1
 ASSI {   88}
   (  segid "PAH3" and resid 489  and name HG1%)
   (  segid "SAP" and resid 189  and name HG2%)
      3.000     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.47740E-02 ppm1      0.727 ppm2      1.096 CV     1
 ASSI {   89}
   (  segid "PAH3" and resid 489  and name HG2%)
   (  segid "SAP" and resid 189  and name HG2%)
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.57592E-02 ppm1      0.728 ppm2      1.002 CV     1
 ASSI {   90}
   (  segid "PAH3" and resid 490  and name HG2%)
   (  segid "SAP" and resid 189  and name HG2%)
      3.300     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.57971E-03 ppm1      0.731 ppm2      1.333 CV     1
 ASSI {   92}
   (( segid "PAH3" and resid 482  and name HG2 ))
   (( segid "SAP" and resid 191  and name HB  ))
      4.200     2.200     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.89800E-03 ppm1      1.803 ppm2      2.063 CV     1
 ASSI {   94}
   (( segid "PAH3" and resid 482  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.200     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.27811E-02 ppm1      0.743 ppm2      3.636 CV     1
 ASSI {   97}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.30463E-02 ppm1      0.743 ppm2      2.452 CV     1
 ASSI {   98}
   (( segid "PAH3" and resid 482  and name HG2 ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.800     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.49256E-02 ppm1      0.742 ppm2      2.062 CV     1
 ASSI {   99}
   (( segid "PAH3" and resid 483  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.900     1.900     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      0.742 ppm2      4.498 CV     1
 ASSI {  100}
   (( segid "PAH3" and resid 485  and name HG  ))
   (  segid "SAP" and resid 191  and name HG1%)
      4.000     2.000     2.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.17012E-02 ppm1      0.744 ppm2      1.215 CV     1
 ASSI {  101}
   (  segid "PAH3" and resid 485  and name HD2%)
   (  segid "SAP" and resid 191  and name HG1%)
      3.600     1.600     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.39027E-02 ppm1      0.745 ppm2      0.463 CV     1
 ASSI {  102}
   (  segid "PAH3" and resid 489  and name HG1%)
   (  segid "SAP" and resid 191  and name HG1%)
      2.400     2.400     3.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      0.744 ppm2      1.106 CV     1
 ASSI {  104}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "SAP" and resid 191  and name HG2%)
      5.600     3.900     0.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.61002E-03 ppm1      0.674 ppm2      6.716 CV     1
 ASSI {  105}
   (( segid "PAH3" and resid 482  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.400     1.400     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.31978E-02 ppm1      0.677 ppm2      3.643 CV     1
 ASSI {  107}
   (( segid "PAH3" and resid 482  and name HG2 ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.300     1.300     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.38269E-02 ppm1      0.676 ppm2      2.076 CV     1
 ASSI {  109}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "SAP" and resid 191  and name HG2%)
      2.300     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.56076E-02 ppm1      0.675 ppm2      1.969 CV     1
 ASSI {  110}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "SAP" and resid 191  and name HG2%)
      2.600     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.48498E-02 ppm1      0.672 ppm2      0.948 CV     1
 ASSI {  111}
   (  segid "PAH3" and resid 485  and name HD2%)
   (  segid "SAP" and resid 191  and name HG2%)
      3.100     1.200     1.200 peak   111 spectrum    1 weight  0.10000E+01 volume  0.82222E-02 ppm1      0.679 ppm2      0.459 CV     1
 ASSI {  112}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "SAP" and resid 193  and name HA  ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.17695E-02 ppm1      3.529 ppm2      0.543 CV     1
 ASSI {  113}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 193  and name HA  ))
      3.000     1.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.34859E-02 ppm1      3.531 ppm2      0.457 CV     1
 ASSI {  114}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 193  and name HG1 ))
      3.100     1.200     1.200 peak   114 spectrum    1 weight  0.10000E+01 volume  0.21559E-02 ppm1      2.209 ppm2      0.468 CV     1
 ASSI {  115}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 193  and name HG2 ))
      2.600     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      2.094 ppm2      0.469 CV     1
 ASSI {  116}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 193  and name HB1 ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.24780E-02 ppm1      2.044 ppm2      0.466 CV     1
 OR {  116}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 193  and name HB2 ))
 ASSI {  117}
   (( segid "PAH3" and resid 485  and name HA  ))
   (  segid "SAP" and resid 196  and name HG2%)
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.18945E-02 ppm1      1.046 ppm2      3.445 CV     1
 ASSI {  118}
   (  segid "PAH3" and resid 485  and name HD1%)
   (  segid "SAP" and resid 196  and name HG2%)
      3.300     1.400     1.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.47362E-02 ppm1      1.045 ppm2      0.550 CV     1
 ASSI {  119}
   (  segid "PAH3" and resid 485  and name HD2%)
   (  segid "SAP" and resid 196  and name HG2%)
      2.800     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.37586E-02 ppm1      1.045 ppm2      0.456 CV     1
 ASSI {  120}
   (( segid "PAH3" and resid 488  and name HA  ))
   (  segid "SAP" and resid 196  and name HG2%)
      4.300     2.300     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.13906E-02 ppm1      1.048 ppm2      3.851 CV     1
 ASSI {  122}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "SAP" and resid 196  and name HG2%)
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.35351E-02 ppm1      1.045 ppm2      0.223 CV     1
 ASSI {  124}
   (( segid "PAH3" and resid 489  and name HA  ))
   (  segid "SAP" and resid 196  and name HG2%)
      3.200     1.300     1.300 peak   124 spectrum    1 weight  0.10000E+01 volume  0.21900E-02 ppm1      1.044 ppm2      3.764 CV     1
 ASSI {  127}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 197  and name HG  ))
      3.400     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.74263E-03 ppm1      1.463 ppm2      0.463 CV     1
 ASSI {  129}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "SAP" and resid 197  and name HD1%)
      3.300     1.300     1.300 peak   129 spectrum    1 weight  0.10000E+01 volume  0.21635E-02 ppm1      0.603 ppm2      7.582 CV     1
 ASSI {  130}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "SAP" and resid 197  and name HD1%)
      3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.15724E-02 ppm1      0.600 ppm2      7.442 CV     1
 ASSI {  132}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "SAP" and resid 197  and name HD1%)
      4.500     2.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.48498E-03 ppm1      0.604 ppm2      6.708 CV     1
 ASSI {  134}
   (  segid "PAH3" and resid 485  and name HD2%)
   (  segid "SAP" and resid 197  and name HD1%)
      3.600     1.600     1.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      0.602 ppm2      0.455 CV     1
 ASSI {  136}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "SAP" and resid 197  and name HD2%)
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.30236E-02 ppm1     -0.046 ppm2      7.569 CV     1
 OR {  136}
   (( segid "PAH3" and resid 468  and name HZ  ))
   (  segid "SAP" and resid 197  and name HD2%)
 ASSI {  137}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "SAP" and resid 197  and name HD2%)
      2.600     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.42816E-02 ppm1     -0.039 ppm2      7.449 CV     1
 ASSI {  138}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "SAP" and resid 197  and name HD2%)
      3.300     1.300     1.300 peak   138 spectrum    1 weight  0.10000E+01 volume  0.14777E-02 ppm1     -0.043 ppm2      6.935 CV     1
 ASSI {  139}
   (  segid "PAH3" and resid 485  and name HD1%)
   (  segid "SAP" and resid 197  and name HD2%)
      3.000     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.70853E-02 ppm1     -0.042 ppm2      0.540 CV     1
 ASSI {  141}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "SAP" and resid 197  and name HD2%)
      2.600     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.50772E-02 ppm1     -0.046 ppm2      0.217 CV     1
 ASSI {  145}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 201  and name HA  ))
      5.800     4.100     0.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.25235E-03 ppm1      3.648 ppm2      6.813 CV     1
 ASSI {  146}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 201  and name HA  ))
      2.900     1.100     1.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.28683E-02 ppm1      3.648 ppm2      7.096 CV     1
 ASSI {  147}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 201  and name HA  ))
      2.600     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.34101E-02 ppm1      3.649 ppm2      7.241 CV     1
 ASSI {  148}
   (( segid "PAH3" and resid 464  and name HA  ))
   (  segid "SAP" and resid 201  and name HD1%)
      4.400     2.500     1.600 peak   148 spectrum    1 weight  0.10000E+01 volume  0.93962E-03 ppm1      1.046 ppm2      4.078 CV     1
 ASSI {  149}
   (( segid "PAH3" and resid 464  and name HB1 ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.200     1.200     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      1.046 ppm2      2.294 CV     1
 ASSI {  150}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.900     1.900     1.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10685E-02 ppm1      1.042 ppm2      2.056 CV     1
 ASSI {  151}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (  segid "SAP" and resid 201  and name HD1%)
      4.200     2.200     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      1.043 ppm2      2.629 CV     1
 ASSI {  152}
   (( segid "PAH3" and resid 464  and name HG2 ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.600     1.600     1.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      1.041 ppm2      2.405 CV     1
 ASSI {  153}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "SAP" and resid 201  and name HD1%)
      3.500     1.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.25007E-02 ppm1      1.043 ppm2      7.591 CV     1
 ASSI {  154}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "SAP" and resid 201  and name HD1%)
      2.600     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.33153E-02 ppm1      1.044 ppm2      7.442 CV     1
 ASSI {  155}
   (  segid "PAH3" and resid 522  and name HD% )
   (  segid "SAP" and resid 201  and name HD1%)
      3.500     3.500     2.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.37890E-03 ppm1      1.040 ppm2      6.829 CV     1
 ASSI {  156}
   (  segid "PAH3" and resid 522  and name HE% )
   (  segid "SAP" and resid 201  and name HD1%)
      2.800     2.800     3.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      1.043 ppm2      7.088 CV     1
 ASSI {  157}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "SAP" and resid 201  and name HD1%)
      2.900     2.900     3.100 peak   157 spectrum    1 weight  0.10000E+01 volume  0.13185E-02 ppm1      1.045 ppm2      7.239 CV     1
 ASSI {  158}
   (( segid "PAH3" and resid 464  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
      5.500     3.800     0.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.25841E-03 ppm1      1.029 ppm2      4.065 CV     1
 ASSI {  159}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (  segid "SAP" and resid 201  and name HG2%)
      4.500     2.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.53045E-03 ppm1      1.029 ppm2      2.060 CV     1
 ASSI {  160}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (  segid "SAP" and resid 201  and name HG2%)
      4.100     2.100     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.81459E-03 ppm1      1.031 ppm2      2.625 CV     1
 ASSI {  161}
   (( segid "PAH3" and resid 464  and name HG2 ))
   (  segid "SAP" and resid 201  and name HG2%)
      3.700     1.700     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.56455E-03 ppm1      1.031 ppm2      2.417 CV     1
 ASSI {  162}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "SAP" and resid 201  and name HG2%)
      5.400     3.600     0.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.46226E-03 ppm1      1.035 ppm2      7.442 CV     1
 ASSI {  163}
   (  segid "PAH3" and resid 522  and name HE% )
   (  segid "SAP" and resid 201  and name HG2%)
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.15687E-02 ppm1      1.031 ppm2      7.083 CV     1
 ASSI {  164}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "SAP" and resid 201  and name HG2%)
      2.900     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.27432E-02 ppm1      1.031 ppm2      7.245 CV     1
 ASSI {  165}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 204  and name HB  ))
      2.900     1.000     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.24780E-02 ppm1      1.550 ppm2      7.096 CV     1
 ASSI {  166}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 204  and name HB  ))
      3.100     1.200     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      1.543 ppm2      7.243 CV     1
 ASSI {  167}
   (  segid "PAH3" and resid 522  and name HD% )
   (  segid "SAP" and resid 204  and name HG1%)
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.21559E-02 ppm1      0.321 ppm2      6.817 CV     1
 ASSI {  168}
   (  segid "PAH3" and resid 522  and name HE% )
   (  segid "SAP" and resid 204  and name HG1%)
      2.900     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.64791E-02 ppm1      0.319 ppm2      7.103 CV     1
 ASSI {  170}
   (  segid "PAH3" and resid 523  and name HD1%)
   (  segid "SAP" and resid 204  and name HG1%)
      2.800     1.000     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.54940E-02 ppm1      0.324 ppm2      0.494 CV     1
 ASSI {  171}
   (  segid "PAH3" and resid 522  and name HD% )
   (  segid "SAP" and resid 204  and name HG2%)
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.23946E-02 ppm1     -0.014 ppm2      6.815 CV     1
 ASSI {  174}
   (( segid "PAH3" and resid 523  and name HA  ))
   (  segid "SAP" and resid 204  and name HG2%)
      3.100     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.42816E-02 ppm1     -0.012 ppm2      3.698 CV     1
 ASSI {  175}
   (  segid "PAH3" and resid 523  and name HD1%)
   (  segid "SAP" and resid 204  and name HG2%)
      2.900     1.000     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.43194E-02 ppm1     -0.011 ppm2      0.484 CV     1
 ASSI {  176}
   (  segid "PAH3" and resid 523  and name HD2%)
   (  segid "SAP" and resid 204  and name HG2%)
      3.200     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20915E-02 ppm1     -0.010 ppm2      0.351 CV     1
 ASSI {  177}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 205  and name HD1 ))
      5.100     3.200     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.25121E-03 ppm1      3.136 ppm2      6.837 CV     1
 OR {  177}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  178}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 205  and name HD1 ))
      3.700     1.800     1.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.81841E-03 ppm1      3.130 ppm2      7.094 CV     1
 OR {  178}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  179}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 205  and name HD1 ))
      4.000     2.000     2.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.62896E-03 ppm1      3.132 ppm2      7.237 CV     1
 OR {  179}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  181}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 148  and name HB  ))
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14625E-02 ppm1      1.833 ppm2      7.423 CV     1
 ASSI {  182}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 204  and name HB  ))
      4.700     2.700     1.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.35351E-03 ppm1      1.550 ppm2      6.837 CV     1
 ASSI {  183}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 147  and name HB2 ))
      2.700     2.700     3.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17846E-02 ppm1      1.750 ppm2      7.430 CV     1
 ASSI {  185}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "SAP" and resid 208  and name HB2 ))
      4.700     2.800     1.300 peak   185 spectrum    1 weight  0.10000E+01 volume  0.33267E-03 ppm1      1.750 ppm2      2.095 CV     1
 ASSI {  186}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "SAP" and resid 208  and name HB2 ))
      3.900     1.900     1.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.67064E-03 ppm1      1.756 ppm2      2.244 CV     1
 ASSI {  198}
   (( segid "PAH3" and resid 508  and name HA  ))
   (( segid "SAP" and resid 146  and name HB2 ))
      3.600     1.600     1.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      1.061 ppm2      4.357 CV     1
 ASSI {  200}
   (( segid "PAH3" and resid 508  and name HA  ))
   (( segid "SAP" and resid 146  and name HB1 ))
      3.200     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.14550E-02 ppm1      1.764 ppm2      4.355 CV     1
 ASSI {  201}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 146  and name HB1 ))
      3.900     1.900     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.88664E-03 ppm1      1.758 ppm2      2.212 CV     1
 ASSI {  202}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "SAP" and resid 146  and name HB1 ))
      4.600     2.600     1.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.64791E-03 ppm1      1.761 ppm2      1.946 CV     1
 OR {  202}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "SAP" and resid 146  and name HB1 ))
 ASSI {  203}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "SAP" and resid 146  and name HB2 ))
      4.800     2.900     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.51151E-03 ppm1      1.059 ppm2      1.932 CV     1
 OR {  203}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "SAP" and resid 146  and name HB2 ))
 ASSI {  204}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 146  and name HB2 ))
      4.600     2.600     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.66685E-03 ppm1      1.071 ppm2      2.214 CV     1
 ASSI {  205}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "SAP" and resid 146  and name HB1 ))
      5.600     4.000     0.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.33722E-03 ppm1      1.758 ppm2      1.663 CV     1
 ASSI {  206}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "SAP" and resid 146  and name HB1 ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.20688E-02 ppm1      1.761 ppm2      1.048 CV     1
 ASSI {  211}
   (( segid "PAH3" and resid 508  and name HA  ))
   (( segid "SAP" and resid 146  and name HG2 ))
      2.900     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.34214E-02 ppm1      1.868 ppm2      4.350 CV     1
 OR {  211}
   (( segid "PAH3" and resid 508  and name HA  ))
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {  212}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "SAP" and resid 146  and name HG2 ))
      4.300     2.300     1.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.10647E-02 ppm1      1.870 ppm2      4.479 CV     1
 OR {  212}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {  213}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "SAP" and resid 146  and name HG2 ))
      4.300     2.300     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.76161E-03 ppm1      1.875 ppm2      0.672 CV     1
 OR {  213}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {  214}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 146  and name HD2 ))
      4.600     2.600     1.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.48498E-03 ppm1      3.708 ppm2      7.206 CV     1
 ASSI {  215}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 146  and name HD2 ))
      4.100     2.100     1.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.46604E-03 ppm1      3.695 ppm2      7.432 CV     1
 ASSI {  219}
   (( segid "PAH3" and resid 518  and name HH2 ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.700     1.700     1.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.29743E-03 ppm1      1.046 ppm2      5.949 CV     1
 ASSI {  224}
   (( segid "PAH3" and resid 503  and name HE22))
   (( segid "SAP" and resid 152  and name HG2 ))
      3.600     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.35238E-03 ppm1      2.324 ppm2      6.678 CV     1
 OR {  224}
   (( segid "PAH3" and resid 503  and name HE22))
   (( segid "SAP" and resid 152  and name HG1 ))
 ASSI {  225}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "SAP" and resid 146  and name HB1 ))
      5.900     4.300     0.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.33267E-03 ppm1      1.770 ppm2      4.493 CV     1
 ASSI {  226}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 164  and name HB2 ))
      4.700     2.800     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.25348E-03 ppm1      2.611 ppm2      0.914 CV     1
 ASSI {  228}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 201  and name HG12))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.52287E-03 ppm1      1.346 ppm2      7.244 CV     1
 ASSI {  229}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 201  and name HG11))
      5.000     3.100     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.49256E-03 ppm1      2.201 ppm2      7.250 CV     1
 ASSI {  230}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 201  and name HG12))
      4.200     2.200     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.40921E-03 ppm1      1.345 ppm2      7.107 CV     1
 ASSI {  231}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "SAP" and resid 201  and name HG12))
      4.500     2.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.28304E-03 ppm1      1.353 ppm2      2.624 CV     1
 ASSI {  232}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "SAP" and resid 193  and name HB2 ))
      4.300     2.400     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.37208E-03 ppm1      2.062 ppm2      6.703 CV     1
 ASSI {  233}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HB2 ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.69338E-03 ppm1      2.142 ppm2      0.928 CV     1
 ASSI {  234}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "SAP" and resid 201  and name HG11))
      4.100     2.100     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.78052E-03 ppm1      2.204 ppm2      7.426 CV     1
 ASSI {  235}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HB1 ))
      3.500     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.55318E-03 ppm1      2.234 ppm2      0.930 CV     1
 ASSI {  236}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HB2 ))
      3.700     1.700     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.65928E-03 ppm1      1.962 ppm2      0.719 CV     1
 ASSI {  237}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HB1 ))
      3.400     1.400     1.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.53803E-03 ppm1      2.123 ppm2      0.715 CV     1
 ASSI {  240}
   (( segid "PAH3" and resid 511  and name HE2 ))
   (( segid "SAP" and resid 146  and name HG1 ))
      3.600     1.600     1.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.50393E-03 ppm1      1.879 ppm2      2.879 CV     1
 OR {  240}
   (( segid "PAH3" and resid 511  and name HE1 ))
   (( segid "SAP" and resid 146  and name HG1 ))
 OR {  240}
   (( segid "PAH3" and resid 511  and name HE2 ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI {  241}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 205  and name HG2 ))
      3.800     1.800     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.70096E-03 ppm1      1.610 ppm2      7.093 CV     1
 ASSI {  242}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 205  and name HG2 ))
      3.700     1.700     1.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.81086E-03 ppm1      1.613 ppm2      7.240 CV     1
 ASSI {  243}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 205  and name HG2 ))
      5.200     3.300     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.21142E-03 ppm1      1.607 ppm2      6.817 CV     1
 ASSI {  244}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 205  and name HG1 ))
      3.800     1.800     1.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.79188E-03 ppm1      1.829 ppm2      7.090 CV     1
 ASSI {  249}
   (  segid "PAH3" and resid 504  and name HD1%)
   (  segid "SAP" and resid 153  and name HD2%)
      2.400     0.700     0.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.52666E-02 ppm1      0.757 ppm2      0.804 CV     1
 ASSI {  250}
   (  segid "PAH3" and resid 471  and name HG2%)
   (  segid "SAP" and resid 197  and name HD1%)
      4.700     2.800     1.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.28304E-03 ppm1      0.605 ppm2      0.003 CV     1
 ASSI {  251}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (  segid "SAP" and resid 197  and name HD1%)
      3.900     1.900     1.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.64033E-03 ppm1      0.604 ppm2      0.793 CV     1
 ASSI {  252}
   (( segid "PAH3" and resid 485  and name HG  ))
   (  segid "SAP" and resid 197  and name HD1%)
      5.400     3.600     0.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.31259E-03 ppm1      0.602 ppm2      1.221 CV     1
 ASSI {  254}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD1%)
      3.200     1.300     1.300 peak   254 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      0.602 ppm2      3.612 CV     1
 ASSI {  255}
   (( segid "PAH3" and resid 465  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD1%)
      4.500     2.500     1.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.40163E-03 ppm1      0.601 ppm2      3.988 CV     1
 OR {  255}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD1%)
 ASSI {  257}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "SAP" and resid 153  and name HD2%)
      4.100     2.100     1.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.31032E-03 ppm1      0.764 ppm2      1.986 CV     1
 OR {  257}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 153  and name HD2%)
 ASSI {  263}
   (  segid "PAH3" and resid 495  and name HG2%)
   (  segid "SAP" and resid 157  and name HG2%)
      5.400     3.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.35919E-03 ppm1      1.457 ppm2      0.272 CV     1
 ASSI {  266}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "SAP" and resid 157  and name HG2%)
      3.100     3.100     2.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.82977E-03 ppm1      1.457 ppm2      1.986 CV     1
 OR {  266}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  269}
   (( segid "PAH3" and resid 495  and name HA  ))
   (  segid "SAP" and resid 157  and name HG2%)
      5.100     3.300     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.22431E-03 ppm1      1.450 ppm2      3.476 CV     1
 ASSI {  270}
   (( segid "PAH3" and resid 497  and name HN  ))
   (  segid "SAP" and resid 157  and name HG2%)
      4.600     2.700     1.400 peak   270 spectrum    1 weight  0.10000E+01 volume  0.37208E-03 ppm1      1.456 ppm2      9.676 CV     1
 ASSI {  298}
   (( segid "PAH3" and resid 489  and name HB  ))
   (  segid "SAP" and resid 196  and name HG2%)
      5.300     3.500     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.44331E-03 ppm1      1.046 ppm2      2.437 CV     1
 ASSI {  299}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "SAP" and resid 196  and name HG2%)
      3.200     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.52666E-03 ppm1      1.049 ppm2      1.973 CV     1
 ASSI {  302}
   (( segid "PAH3" and resid 523  and name HA  ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.14057E-02 ppm1      0.320 ppm2      3.696 CV     1
 ASSI {  303}
   (  segid "PAH3" and resid 523  and name HD2%)
   (  segid "SAP" and resid 204  and name HG1%)
      2.900     1.100     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      0.318 ppm2      0.343 CV     1
 ASSI {  304}
   (  segid "PAH3" and resid 488  and name HD2%)
   (  segid "SAP" and resid 204  and name HG1%)
      4.400     2.500     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.58350E-03 ppm1      0.319 ppm2      0.010 CV     1
 ASSI {  305}
   (( segid "PAH3" and resid 523  and name HG  ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.69338E-03 ppm1      0.323 ppm2      1.349 CV     1
 ASSI {  307}
   (  segid "PAH3" and resid 489  and name HG1%)
   (  segid "SAP" and resid 191  and name HG2%)
      2.500     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.57592E-02 ppm1      0.675 ppm2      1.099 CV     1
 ASSI {  323}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (( segid "SAP" and resid 191  and name HB  ))
      5.000     3.200     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.26068E-03 ppm1      1.803 ppm2      0.953 CV     1
 ASSI {  324}
   (( segid "PAH3" and resid 492  and name HA  ))
   (( segid "SAP" and resid 199  and name HB2 ))
      5.500     3.800     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.32168E-03 ppm1      2.937 ppm2      4.361 CV     1
 ASSI {  325}
   (( segid "PAH3" and resid 489  and name HA  ))
   (( segid "SAP" and resid 199  and name HB2 ))
      5.100     3.200     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.13489E-03 ppm1      2.939 ppm2      3.779 CV     1
 ASSI {  326}
   (( segid "PAH3" and resid 489  and name HA  ))
   (( segid "SAP" and resid 199  and name HB1 ))
      4.900     2.900     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.16823E-03 ppm1      3.176 ppm2      3.758 CV     1
 ASSI {  327}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "SAP" and resid 199  and name HB2 ))
      5.800     4.200     0.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.15497E-03 ppm1      2.941 ppm2      0.047 CV     1
 ASSI {  328}
   (( segid "PAH3" and resid 501  and name HN  ))
   (  segid "SAP" and resid 157  and name HG2%)
      4.000     2.000     2.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.16482E-03 ppm1      1.454 ppm2      8.571 CV     1
 ASSI {  330}
   (( segid "PAH3" and resid 522  and name HA  ))
   (  segid "SAP" and resid 204  and name HG1%)
      4.300     2.300     1.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.49256E-03 ppm1      0.319 ppm2      3.828 CV     1
 ASSI {  331}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG1%)
      4.900     3.000     1.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1      0.328 ppm2      1.570 CV     1
 ASSI {  334}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (  segid "SAP" and resid 191  and name HG2%)
      3.400     1.400     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.59107E-03 ppm1      0.670 ppm2      2.768 CV     1
 OR {  334}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (  segid "SAP" and resid 191  and name HG2%)
 ASSI {  336}
   (  segid "PAH3" and resid 488  and name HD2%)
   (  segid "SAP" and resid 191  and name HG2%)
      5.500     3.700     0.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.34707E-03 ppm1      0.672 ppm2      0.003 CV     1
 ASSI {  338}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (  segid "SAP" and resid 153  and name HD1%)
      4.000     2.000     2.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.16255E-02 ppm1      0.894 ppm2      2.474 CV     1
 ASSI {  340}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "SAP" and resid 153  and name HD1%)
      4.000     2.000     2.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      0.892 ppm2      1.985 CV     1
 OR {  340}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 153  and name HD1%)
 ASSI {  344}
   (( segid "PAH3" and resid 483  and name HD21))
   (  segid "SAP" and resid 148  and name HG1%)
      3.900     1.900     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.17543E-02 ppm1      0.976 ppm2      7.812 CV     1
 ASSI {  347}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "SAP" and resid 197  and name HD2%)
      4.000     2.000     2.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.78433E-03 ppm1     -0.056 ppm2      6.705 CV     1
 ASSI {  348}
   (  segid "PAH3" and resid 467  and name HD% )
   (  segid "SAP" and resid 197  and name HD2%)
      4.600     2.600     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.33759E-03 ppm1     -0.044 ppm2      5.904 CV     1
 ASSI {  349}
   (( segid "PAH3" and resid 465  and name HA  ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.700     2.700     1.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.76535E-03 ppm1     -0.050 ppm2      4.314 CV     1
 ASSI {  350}
   (( segid "PAH3" and resid 485  and name HA  ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.600     2.700     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.95106E-03 ppm1     -0.041 ppm2      3.440 CV     1
 ASSI {  351}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD2%)
      3.100     1.200     1.200 peak   351 spectrum    1 weight  0.10000E+01 volume  0.18603E-02 ppm1     -0.047 ppm2      3.585 CV     1
 ASSI {  352}
   (( segid "PAH3" and resid 468  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.300     2.300     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.75780E-03 ppm1     -0.043 ppm2      2.948 CV     1
 ASSI {  353}
   (( segid "PAH3" and resid 486  and name HN  ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.200     1.300     1.300 peak   353 spectrum    1 weight  0.10000E+01 volume  0.21105E-02 ppm1      0.745 ppm2      8.143 CV     1
 ASSI {  355}
   (( segid "PAH3" and resid 486  and name HE  ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.18831E-02 ppm1      0.745 ppm2      7.447 CV     1
 ASSI {  358}
   (( segid "PAH3" and resid 486  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.100     1.200     1.200 peak   358 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1      0.745 ppm2      3.483 CV     1
 ASSI {  359}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (  segid "SAP" and resid 191  and name HG1%)
      3.700     1.700     1.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.89800E-03 ppm1      0.744 ppm2      2.765 CV     1
 OR {  359}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (  segid "SAP" and resid 191  and name HG1%)
 ASSI {  361}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (  segid "SAP" and resid 145  and name HG2%)
      3.900     1.900     1.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.10647E-02 ppm1      1.233 ppm2      4.232 CV     1
 ASSI {  362}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      4.200     2.300     1.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.89800E-03 ppm1      1.223 ppm2      3.773 CV     1
 ASSI {  363}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "SAP" and resid 205  and name HD1 ))
      2.800     2.800     3.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.15080E-02 ppm1      3.134 ppm2      0.973 CV     1
 OR {  363}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "SAP" and resid 205  and name HD2 ))
 OR {  363}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "SAP" and resid 205  and name HD1 ))
 OR {  363}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  364}
   (  segid "PAH3" and resid 489  and name HG1%)
   (( segid "SAP" and resid 196  and name HA  ))
      4.100     2.100     1.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.54940E-03 ppm1      3.763 ppm2      1.112 CV     1
 ASSI {  365}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "SAP" and resid 196  and name HA  ))
      4.500     2.600     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.57213E-03 ppm1      3.766 ppm2      1.020 CV     1
 ASSI {  368}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "SAP" and resid 201  and name HA  ))
      5.700     4.100     0.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.24211E-03 ppm1      3.648 ppm2      7.451 CV     1
 ASSI {  369}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "SAP" and resid 201  and name HA  ))
      5.100     3.300     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.33873E-03 ppm1      3.651 ppm2      2.635 CV     1
 ASSI {  370}
   (  segid "PAH3" and resid 522  and name HD% )
   (  segid "SAP" and resid 201  and name HG2%)
      5.100     3.200     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.43952E-03 ppm1      1.038 ppm2      6.815 CV     1
 ASSI {  372}
   (( segid "PAH3" and resid 464  and name HB1 ))
   (  segid "SAP" and resid 201  and name HG2%)
      4.500     2.500     1.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.38648E-03 ppm1      1.023 ppm2      2.293 CV     1
 ASSI {  373}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "SAP" and resid 200  and name HB2 ))
      4.000     2.000     2.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.24742E-03 ppm1      3.278 ppm2      0.225 CV     1
 ASSI {  374}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "SAP" and resid 200  and name HB2 ))
      5.500     3.800     0.500 peak   374 spectrum    1 weight  0.10000E+01 volume  0.23871E-03 ppm1      3.272 ppm2      1.037 CV     1
 ASSI {  375}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "SAP" and resid 200  and name HB1 ))
      5.300     3.600     0.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.19778E-03 ppm1      3.624 ppm2      0.020 CV     1
 ASSI {  376}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "SAP" and resid 200  and name HB1 ))
      4.200     2.300     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.19703E-03 ppm1      3.619 ppm2      0.215 CV     1
 ASSI {  377}
   (( segid "PAH3" and resid 486  and name HE  ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.200     1.300     1.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.66685E-03 ppm1      0.725 ppm2      7.447 CV     1
 ASSI {  379}
   (( segid "PAH3" and resid 493  and name HE22))
   (  segid "SAP" and resid 189  and name HG2%)
      3.900     1.900     1.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.19172E-03 ppm1      0.725 ppm2      7.016 CV     1
 ASSI {  380}
   (( segid "PAH3" and resid 489  and name HN  ))
   (  segid "SAP" and resid 189  and name HG2%)
      6.000     6.000     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.15156E-03 ppm1      0.718 ppm2      8.257 CV     1
 ASSI {  381}
   (( segid "PAH3" and resid 490  and name HN  ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.800     1.800     1.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.24287E-03 ppm1      0.733 ppm2      7.642 CV     1
 ASSI {  382}
   (( segid "PAH3" and resid 490  and name HG12))
   (  segid "SAP" and resid 189  and name HG2%)
      3.700     3.700     2.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.26219E-03 ppm1      0.718 ppm2      1.701 CV     1
 ASSI {  385}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "SAP" and resid 203  and name HB2 ))
      3.600     1.600     1.600 peak   385 spectrum    1 weight  0.10000E+01 volume  0.33305E-03 ppm1      4.001 ppm2      7.240 CV     1
 ASSI {  387}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 148  and name HA  ))
      3.500     1.500     1.500 peak   387 spectrum    1 weight  0.10000E+01 volume  0.39027E-03 ppm1      3.912 ppm2      0.724 CV     1
 ASSI {  388}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "SAP" and resid 209  and name HB2 ))
      4.300     2.300     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.29062E-03 ppm1      2.687 ppm2      7.243 CV     1
 ASSI {  389}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "SAP" and resid 209  and name HB1 ))
      5.100     3.200     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.20271E-03 ppm1      2.874 ppm2      7.236 CV     1
 ASSI {  390}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 201  and name HB  ))
      4.800     2.900     1.200 peak   390 spectrum    1 weight  0.10000E+01 volume  0.64791E-03 ppm1      2.055 ppm2      7.242 CV     1
 ASSI {  392}
   (( segid "PAH3" and resid 465  and name HN  ))
   (  segid "SAP" and resid 201  and name HD1%)
      5.500     3.800     0.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.22544E-03 ppm1      1.045 ppm2      8.360 CV     1
 ASSI {  393}
   (( segid "PAH3" and resid 465  and name HA  ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.700     1.700     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.15535E-02 ppm1      1.047 ppm2      4.306 CV     1
 ASSI {  394}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (  segid "SAP" and resid 201  and name HD1%)
      4.000     2.000     2.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      1.045 ppm2      3.979 CV     1
 OR {  394}
   (( segid "PAH3" and resid 465  and name HB2 ))
   (  segid "SAP" and resid 201  and name HD1%)
 ASSI {  395}
   (( segid "PAH3" and resid 489  and name HN  ))
   (  segid "SAP" and resid 189  and name HD1%)
      5.700     4.000     0.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.29668E-03 ppm1      0.695 ppm2      8.272 CV     1
 ASSI {  396}
   (( segid "PAH3" and resid 486  and name HE  ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.500     2.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.53803E-03 ppm1      0.693 ppm2      7.475 CV     1
 ASSI {  397}
   (( segid "PAH3" and resid 483  and name HA  ))
   (  segid "SAP" and resid 189  and name HD1%)
      5.700     4.100     0.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.21180E-03 ppm1      0.699 ppm2      4.482 CV     1
 ASSI {  398}
   (( segid "PAH3" and resid 486  and name HA  ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.200     2.200     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.46604E-03 ppm1      0.686 ppm2      3.499 CV     1
 ASSI {  399}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (  segid "SAP" and resid 189  and name HD1%)
      4.300     2.300     1.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.33532E-03 ppm1      0.695 ppm2      2.757 CV     1
 OR {  399}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {  400}
   (( segid "PAH3" and resid 490  and name HB  ))
   (  segid "SAP" and resid 189  and name HD1%)
      5.100     3.300     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.27394E-03 ppm1      0.694 ppm2      2.048 CV     1
 OR {  400}
   (( segid "PAH3" and resid 490  and name HG11))
   (  segid "SAP" and resid 189  and name HD1%)
 ASSI {  401}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (  segid "SAP" and resid 189  and name HD1%)
      3.700     1.700     1.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.46983E-03 ppm1      0.695 ppm2      1.773 CV     1
 ASSI {  402}
   (( segid "PAH3" and resid 490  and name HG12))
   (  segid "SAP" and resid 189  and name HD1%)
      4.300     2.300     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.40163E-03 ppm1      0.690 ppm2      1.686 CV     1
 ASSI {  404}
   (  segid "PAH3" and resid 480  and name HB% )
   (  segid "SAP" and resid 143  and name HD1%)
      4.100     2.100     1.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.68580E-03 ppm1      0.859 ppm2      1.649 CV     1
 ASSI {  405}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.400     2.400     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.38269E-03 ppm1      0.859 ppm2      1.457 CV     1
 OR {  405}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (  segid "SAP" and resid 143  and name HD1%)
 ASSI {  406}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (  segid "SAP" and resid 143  and name HD1%)
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.79569E-03 ppm1      0.861 ppm2      2.025 CV     1
 OR {  406}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (  segid "SAP" and resid 143  and name HD1%)
 ASSI {  408}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "SAP" and resid 193  and name HA  ))
      5.900     4.400     0.100 peak   408 spectrum    1 weight  0.10000E+01 volume  0.15952E-03 ppm1      3.538 ppm2      6.705 CV     1
 ASSI {  409}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "SAP" and resid 193  and name HG2 ))
      5.800     4.100     0.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.25613E-03 ppm1      2.091 ppm2      6.704 CV     1
 ASSI {  411}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "SAP" and resid 193  and name HG1 ))
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.49635E-03 ppm1      2.195 ppm2      6.700 CV     1
 ASSI {  412}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 164  and name HA  ))
      3.300     1.400     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.52666E-03 ppm1      3.958 ppm2      0.274 CV     1
 ASSI {  414}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HA  ))
      3.700     1.700     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.29554E-03 ppm1      4.008 ppm2      0.909 CV     1
 ASSI {  418}
   (  segid "PAH3" and resid 489  and name HG1%)
   (( segid "SAP" and resid 191  and name HB  ))
      4.300     2.300     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.45847E-03 ppm1      1.797 ppm2      1.108 CV     1
 ASSI {  420}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "SAP" and resid 191  and name HB  ))
      4.300     2.400     1.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.24211E-03 ppm1      1.795 ppm2      3.463 CV     1
 ASSI {  421}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "SAP" and resid 191  and name HB  ))
      5.400     3.600     0.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.27129E-03 ppm1      1.794 ppm2      3.639 CV     1
 ASSI {  427}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.800     2.800     1.200 peak   427 spectrum    1 weight  0.10000E+01 volume  0.31789E-03 ppm1      0.900 ppm2      1.465 CV     1
 OR {  427}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  428}
   (  segid "PAH3" and resid 480  and name HB% )
   (  segid "SAP" and resid 143  and name HG2%)
      5.700     4.100     0.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.32812E-03 ppm1      0.906 ppm2      1.648 CV     1
 ASSI {  429}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "SAP" and resid 143  and name HG2%)
      5.100     3.200     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.40921E-03 ppm1      0.906 ppm2      7.202 CV     1
 ASSI {  431}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (  segid "SAP" and resid 191  and name HG1%)
      4.000     2.000     2.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.16103E-02 ppm1      0.745 ppm2      1.763 CV     1
 ASSI {  432}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (( segid "SAP" and resid 187  and name HA  ))
      5.300     3.600     0.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.14701E-03 ppm1      3.896 ppm2      2.780 CV     1
 OR {  432}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (( segid "SAP" and resid 187  and name HA  ))
 ASSI {  433}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (  segid "SAP" and resid 143  and name HG2%)
      3.400     1.500     1.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.42816E-03 ppm1      0.905 ppm2      2.031 CV     1
 OR {  433}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  435}
   (( segid "PAH3" and resid 476  and name HD2 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.000     2.000     2.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.16293E-03 ppm1      0.905 ppm2      3.226 CV     1
 OR {  435}
   (( segid "PAH3" and resid 476  and name HD1 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  437}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.200     2.200     1.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.13754E-03 ppm1      0.907 ppm2      4.219 CV     1
 ASSI {  438}
   (( segid "PAH3" and resid 511  and name HE1 ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.400     2.500     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.25045E-03 ppm1      0.860 ppm2      2.903 CV     1
 OR {  438}
   (( segid "PAH3" and resid 511  and name HE2 ))
   (  segid "SAP" and resid 143  and name HD1%)
 ASSI {  439}
   (( segid "PAH3" and resid 476  and name HD1 ))
   (  segid "SAP" and resid 143  and name HD1%)
      3.900     1.900     1.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.23226E-03 ppm1      0.860 ppm2      3.241 CV     1
 OR {  439}
   (( segid "PAH3" and resid 476  and name HD2 ))
   (  segid "SAP" and resid 143  and name HD1%)
 ASSI {  440}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.000     2.000     2.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.16861E-03 ppm1      0.852 ppm2      4.203 CV     1
 ASSI {  441}
   (( segid "PAH3" and resid 508  and name HA  ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.400     2.400     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.34669E-03 ppm1      0.859 ppm2      4.357 CV     1
 ASSI {  442}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.900     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.20763E-02 ppm1      0.746 ppm2      0.965 CV     1
 ASSI {  444}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "SAP" and resid 152  and name HB2 ))
      4.600     2.600     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.47362E-03 ppm1      1.980 ppm2      2.438 CV     1
 ASSI {  445}
   (( segid "PAH3" and resid 485  and name HN  ))
   (  segid "SAP" and resid 196  and name HG2%)
      4.100     2.100     1.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.26106E-02 ppm1      1.047 ppm2      8.212 CV     1
 ASSI {  446}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "SAP" and resid 143  and name HD1%)
      4.400     2.400     1.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.32472E-03 ppm1      0.859 ppm2      7.284 CV     1
 ASSI {  447}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "SAP" and resid 143  and name HB  ))
      4.900     2.900     1.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.22886E-03 ppm1      1.865 ppm2      4.220 CV     1
 ASSI {  449}
   (( segid "PAH3" and resid 475  and name HA  ))
   (  segid "SAP" and resid 143  and name HG2%)
      5.400     3.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.12200E-03 ppm1      0.906 ppm2      4.154 CV     1
 ASSI {  451}
   (( segid "PAH3" and resid 482  and name HN  ))
   (  segid "SAP" and resid 191  and name HG1%)
      4.800     2.900     1.200 peak   451 spectrum    1 weight  0.10000E+01 volume  0.86011E-03 ppm1      0.746 ppm2      8.516 CV     1
 ASSI {  453}
   (( segid "PAH3" and resid 483  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
      4.800     2.900     1.200 peak   453 spectrum    1 weight  0.10000E+01 volume  0.38269E-03 ppm1      0.673 ppm2      4.489 CV     1
 ASSI {  455}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (  segid "SAP" and resid 191  and name HG2%)
      4.100     2.100     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.19740E-02 ppm1      0.674 ppm2      2.176 CV     1
 ASSI {  456}
   (( segid "PAH3" and resid 485  and name HG  ))
   (  segid "SAP" and resid 191  and name HG2%)
      4.000     2.000     2.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.21180E-02 ppm1      0.678 ppm2      1.214 CV     1
 ASSI {  460}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "SAP" and resid 150  and name HD2%)
      4.500     2.600     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.78433E-03 ppm1      0.198 ppm2      1.987 CV     1
 OR {  460}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "SAP" and resid 150  and name HD2%)
 ASSI {  461}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD2%)
      5.400     3.700     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.31107E-03 ppm1     -0.034 ppm2      1.996 CV     1
 ASSI {  462}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "SAP" and resid 150  and name HD2%)
      5.700     4.000     0.300 peak   462 spectrum    1 weight  0.10000E+01 volume  0.41679E-03 ppm1      0.212 ppm2      4.242 CV     1
 ASSI {  463}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      5.400     3.700     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.51529E-03 ppm1     -0.044 ppm2      0.942 CV     1
 ASSI {  464}
   (( segid "PAH3" and resid 505  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
      5.700     4.100     0.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16785E-03 ppm1      0.983 ppm2      4.883 CV     1
 ASSI {  465}
   (( segid "PAH3" and resid 505  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      4.600     2.600     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.26219E-03 ppm1      0.681 ppm2      4.883 CV     1
 ASSI {  467}
   (( segid "PAH3" and resid 496  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
      5.100     3.300     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.50393E-03 ppm1      0.898 ppm2      5.049 CV     1
 ASSI {  468}
   (( segid "PAH3" and resid 497  and name HN  ))
   (  segid "SAP" and resid 153  and name HD1%)
      5.100     3.200     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.51151E-03 ppm1      0.906 ppm2      9.672 CV     1
 ASSI {  474}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "SAP" and resid 209  and name HB1 ))
      4.900     3.000     1.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.20044E-03 ppm1      2.872 ppm2      7.145 CV     1
 ASSI {  475}
   (( segid "PAH3" and resid 497  and name HA  ))
   (( segid "SAP" and resid 209  and name HB2 ))
      4.400     2.400     1.600 peak   475 spectrum    1 weight  0.10000E+01 volume  0.10496E-03 ppm1      2.679 ppm2      4.819 CV     1
 ASSI {  478}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.500     2.500     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.75025E-03 ppm1     -0.044 ppm2      1.016 CV     1
 ASSI {  479}
   (( segid "PAH3" and resid 523  and name HG  ))
   (  segid "SAP" and resid 204  and name HG2%)
      3.400     1.400     1.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.93962E-03 ppm1     -0.015 ppm2      1.342 CV     1
 ASSI {  190}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "PAH3" and resid 519  and name HD% )
      3.600     1.700     1.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.14929E-02 ppm1      6.905 ppm2      7.285 CV     1
 ASSI {  222}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 161  and name HN  ))
      3.300     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.19930E-02 ppm1      8.499 ppm2      0.923 CV     1
 ASSI {  246}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 149  and name HN  ))
      3.800     1.800     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.25310E-03 ppm1      9.136 ppm2      7.424 CV     1
 ASSI {  247}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "SAP" and resid 149  and name HN  ))
      3.800     1.800     1.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      9.143 ppm2      1.952 CV     1
 OR {  247}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "SAP" and resid 149  and name HN  ))
 ASSI {  248}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 149  and name HN  ))
      3.300     1.400     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      9.142 ppm2      0.737 CV     1
 ASSI {  260}
   (( segid "PAH3" and resid 486  and name HE  ))
   (( segid "SAP" and resid 189  and name HN  ))
      3.700     1.700     1.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.55318E-03 ppm1      7.148 ppm2      7.451 CV     1
 ASSI {  261}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (( segid "SAP" and resid 189  and name HN  ))
      4.100     2.100     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.54561E-03 ppm1      7.152 ppm2      2.780 CV     1
 OR {  261}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (( segid "SAP" and resid 189  and name HN  ))
 ASSI {  262}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "SAP" and resid 189  and name HN  ))
      3.500     3.500     2.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.40542E-03 ppm1      7.130 ppm2      1.017 CV     1
 ASSI {  271}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 161  and name HN  ))
      3.300     3.300     2.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.57213E-03 ppm1      8.488 ppm2      0.267 CV     1
 ASSI {  272}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "SAP" and resid 197  and name HN  ))
      4.500     2.600     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.54182E-03 ppm1      8.490 ppm2      0.531 CV     1
 ASSI {  273}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "SAP" and resid 161  and name HN  ))
      4.500     2.500     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.68959E-03 ppm1      8.489 ppm2      1.069 CV     1
 ASSI {  274}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 164  and name HN  ))
      3.400     1.400     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.45847E-03 ppm1      8.834 ppm2      0.272 CV     1
 ASSI {  275}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 164  and name HN  ))
      3.600     1.600     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.33191E-03 ppm1      8.847 ppm2      0.908 CV     1
 ASSI {  277}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      3.400     1.400     1.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.86392E-03 ppm1      7.760 ppm2      1.067 CV     1
 ASSI {  278}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      4.400     2.400     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.48498E-03 ppm1      7.764 ppm2      1.970 CV     1
 OR {  278}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "SAP" and resid 147  and name HN  ))
 ASSI {  279}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "SAP" and resid 147  and name HN  ))
      4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.57592E-03 ppm1      7.766 ppm2      2.200 CV     1
 ASSI {  280}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "SAP" and resid 147  and name HN  ))
      4.700     2.800     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.63275E-03 ppm1      7.762 ppm2      4.272 CV     1
 ASSI {  281}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 147  and name HN  ))
      4.400     2.400     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.39027E-03 ppm1      7.767 ppm2      7.445 CV     1
 ASSI {  282}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "SAP" and resid 147  and name HN  ))
      3.900     1.900     1.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.82222E-03 ppm1      7.760 ppm2      7.181 CV     1
 OR {  282}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "SAP" and resid 147  and name HN  ))
 ASSI {  284}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "SAP" and resid 148  and name HN  ))
      4.300     2.300     1.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      8.597 ppm2      7.431 CV     1
 ASSI {  285}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "SAP" and resid 204  and name HN  ))
      5.900     4.300     0.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.31107E-03 ppm1      7.835 ppm2      6.829 CV     1
 ASSI {  287}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 204  and name HN  ))
      3.900     1.900     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.99650E-03 ppm1      7.835 ppm2      7.239 CV     1
 ASSI {  294}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "SAP" and resid 200  and name HN  ))
      4.100     2.100     1.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.15383E-03 ppm1      8.499 ppm2      0.022 CV     1
 ASSI {  295}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "SAP" and resid 160  and name HN  ))
      3.300     1.400     1.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.54561E-03 ppm1      7.848 ppm2      0.932 CV     1
 ASSI {  309}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HE22))
      3.800     1.800     1.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      6.642 ppm2      0.732 CV     1
 ASSI {  310}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HE21))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.16520E-02 ppm1      7.772 ppm2      0.726 CV     1
 ASSI {  311}
   (( segid "PAH3" and resid 504  and name HA  ))
   (( segid "SAP" and resid 152  and name HE22))
      3.100     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14019E-02 ppm1      6.643 ppm2      4.245 CV     1
 ASSI {  312}
   (( segid "PAH3" and resid 504  and name HA  ))
   (( segid "SAP" and resid 152  and name HE21))
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.93589E-03 ppm1      7.767 ppm2      4.236 CV     1
 ASSI {  314}
   (( segid "PAH3" and resid 504  and name HG  ))
   (( segid "SAP" and resid 152  and name HE21))
      4.900     2.900     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.32130E-03 ppm1      7.765 ppm2      1.991 CV     1
 OR {  314}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "SAP" and resid 152  and name HE21))
 ASSI {  316}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "SAP" and resid 165  and name HN  ))
      3.300     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.51151E-03 ppm1      7.801 ppm2      0.271 CV     1
 ASSI {  319}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 152  and name HN  ))
      3.500     1.600     1.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.36298E-03 ppm1      7.119 ppm2      0.719 CV     1
 ASSI {  321}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 150  and name HN  ))
      3.300     1.400     1.400 peak   321 spectrum    1 weight  0.10000E+01 volume  0.50772E-03 ppm1      8.388 ppm2      0.722 CV     1
 ASSI {  422}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 197  and name HN  ))
      4.100     2.100     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.51908E-03 ppm1      8.490 ppm2      0.454 CV     1
 ASSI {  424}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "SAP" and resid 153  and name HN  ))
      5.700     4.100     0.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.38269E-03 ppm1      7.183 ppm2      0.820 CV     1
 ASSI {  425}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "SAP" and resid 196  and name HN  ))
      4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.18187E-03 ppm1      8.215 ppm2      0.466 CV     1
 ASSI {  426}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "SAP" and resid 196  and name HN  ))
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21370E-03 ppm1      8.216 ppm2      0.529 CV     1
 ASSI {  470}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "SAP" and resid 154  and name HN  ))
      3.500     3.500     2.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.37473E-03 ppm1      9.192 ppm2      0.752 CV     1
 ASSI {  471}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "SAP" and resid 205  and name HN  ))
      4.400     2.400     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.62139E-03 ppm1      7.984 ppm2      7.101 CV     1
 ASSI {  472}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (( segid "SAP" and resid 205  and name HN  ))
      3.900     1.900     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.59107E-03 ppm1      7.985 ppm2      7.237 CV     1
 ASSI {   34}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 173  and name HA  ))
      2.200     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.88836E-02 ppm1      4.303 ppm2      0.721 CV     1
 ASSI {   35}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 173  and name HA  ))
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.26523E-02 ppm1      4.312 ppm2      0.849 CV     1
 ASSI {   36}
   (( segid "SAP" and resid 174  and name HB1 ))
   (( segid "SAP" and resid 174  and name HA  ))
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.61673E-02 ppm1      4.761 ppm2      3.274 CV     1
 ASSI {   41}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 177  and name HA  ))
      3.100     1.200     1.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.31540E-02 ppm1      4.078 ppm2      2.650 CV     1
 ASSI {   43}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 177  and name HA  ))
      2.600     0.800     0.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.59756E-02 ppm1      4.083 ppm2      1.975 CV     1
 ASSI {   44}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 178  and name HA  ))
      2.100     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.12622E-01 ppm1      4.047 ppm2      0.822 CV     1
 ASSI {   45}
   (( segid "SAP" and resid 209  and name HA  ))
   (( segid "SAP" and resid 209  and name HB1 ))
      2.600     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.50169E-02 ppm1      2.859 ppm2      4.600 CV     1
 ASSI {   48}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 162  and name HE2 ))
      2.800     1.000     1.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.23934E-02 ppm1      2.931 ppm2      1.069 CV     1
 OR {   48}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 162  and name HE1 ))
 ASSI {   49}
   (( segid "SAP" and resid 179  and name HB  ))
   (( segid "SAP" and resid 179  and name HA  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.29463E-02 ppm1      3.157 ppm2      1.930 CV     1
 ASSI {   50}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HD2 ))
      3.000     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.30325E-02 ppm1      1.615 ppm2      4.172 CV     1
 OR {   50}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HD1 ))
 ASSI {   51}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 180  and name HG1 ))
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.51448E-02 ppm1      2.390 ppm2      4.026 CV     1
 ASSI {   52}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 180  and name HG2 ))
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.52087E-02 ppm1      2.229 ppm2      4.009 CV     1
 ASSI {   54}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 180  and name HA  ))
      2.100     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.16009E-01 ppm1      4.007 ppm2      2.140 CV     1
 OR {   54}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 180  and name HA  ))
 ASSI {   55}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 181  and name HA  ))
      2.900     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.27833E-02 ppm1      3.849 ppm2      1.739 CV     1
 ASSI {   56}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 181  and name HA  ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.29015E-02 ppm1      3.848 ppm2      1.304 CV     1
 ASSI {   57}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 181  and name HA  ))
      2.600     0.900     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.38666E-02 ppm1      3.844 ppm2      0.964 CV     1
 ASSI {   59}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 181  and name HB  ))
      2.500     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      1.927 ppm2      1.740 CV     1
 ASSI {   64}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 181  and name HG12))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.39944E-02 ppm1      1.300 ppm2      0.965 CV     1
 ASSI {   65}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 182  and name HA  ))
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.60395E-02 ppm1      3.310 ppm2      0.755 CV     1
 ASSI {   66}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HB2 ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.47613E-02 ppm1      1.734 ppm2      4.172 CV     1
 ASSI {   67}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 182  and name HB  ))
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      1.709 ppm2      0.763 CV     1
 ASSI {   68}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 208  and name HA  ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.39624E-02 ppm1      4.183 ppm2      1.389 CV     1
 OR {   68}
   (( segid "SAP" and resid 208  and name HG1 ))
   (( segid "SAP" and resid 208  and name HA  ))
 ASSI {   70}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 208  and name HA  ))
      2.300     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.73177E-02 ppm1      4.179 ppm2      1.825 CV     1
 ASSI {   71}
   (( segid "SAP" and resid 184  and name HB1 ))
   (( segid "SAP" and resid 184  and name HA  ))
      2.700     0.900     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.63910E-02 ppm1      4.130 ppm2      3.086 CV     1
 ASSI {   73}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 184  and name HB2 ))
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.56880E-02 ppm1      2.978 ppm2      4.133 CV     1
 ASSI {   74}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 186  and name HB1 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.23104E-02 ppm1      3.360 ppm2      3.019 CV     1
 ASSI {   78}
   (( segid "SAP" and resid 207  and name HB2 ))
   (( segid "SAP" and resid 207  and name HA  ))
      2.200     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.12782E-01 ppm1      4.453 ppm2      2.664 CV     1
 OR {   78}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 207  and name HA  ))
 ASSI {   79}
   (( segid "SAP" and resid 208  and name HE2 ))
   (( segid "SAP" and resid 207  and name HA  ))
      4.200     2.300     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.44098E-03 ppm1      4.452 ppm2      2.945 CV     1
 OR {   79}
   (( segid "SAP" and resid 208  and name HE1 ))
   (( segid "SAP" and resid 207  and name HA  ))
 ASSI {   80}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 206  and name HB2 ))
      1.700     0.400     0.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.26778E-01 ppm1      2.421 ppm2      2.660 CV     1
 ASSI {   83}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "SAP" and resid 191  and name HB  ))
      2.300     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.85323E-02 ppm1      1.790 ppm2      0.666 CV     1
 ASSI {   86}
   (( segid "SAP" and resid 192  and name HB2 ))
   (( segid "SAP" and resid 192  and name HA  ))
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.70621E-02 ppm1      4.754 ppm2      2.624 CV     1
 ASSI {   89}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 206  and name HB2 ))
      3.900     1.900     1.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.35790E-03 ppm1      2.420 ppm2      4.143 CV     1
 ASSI {   91}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 206  and name HA  ))
      2.800     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.46655E-02 ppm1      4.579 ppm2      2.416 CV     1
 ASSI {   93}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 196  and name HA  ))
      2.600     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.42500E-02 ppm1      3.755 ppm2      1.040 CV     1
 ASSI {   95}
   (( segid "SAP" and resid 197  and name HB1 ))
   (( segid "SAP" and resid 197  and name HB2 ))
      1.900     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      1.144 ppm2      1.714 CV     1
 ASSI {   99}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 205  and name HD1 ))
      4.800     2.900     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28056E-03 ppm1      3.121 ppm2     -0.023 CV     1
 OR {   99}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  100}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 205  and name HD2 ))
      2.800     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.30837E-02 ppm1      3.124 ppm2      1.037 CV     1
 OR {  100}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 205  and name HD1 ))
 ASSI {  101}
   (  segid "SAP" and resid 197  and name HD1%)
   (( segid "SAP" and resid 197  and name HA  ))
      4.200     2.200     1.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      3.831 ppm2      0.596 CV     1
 ASSI {  102}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 198  and name HB  ))
      2.300     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.97781E-02 ppm1      4.277 ppm2      1.245 CV     1
 ASSI {  103}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 205  and name HD2 ))
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      3.124 ppm2      4.162 CV     1
 OR {  103}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 205  and name HD1 ))
 ASSI {  104}
   (( segid "SAP" and resid 199  and name HB2 ))
   (( segid "SAP" and resid 199  and name HB1 ))
      1.800     0.400     0.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.20483E-01 ppm1      3.159 ppm2      2.913 CV     1
 ASSI {  106}
   (( segid "SAP" and resid 199  and name HA  ))
   (( segid "SAP" and resid 199  and name HB2 ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      2.913 ppm2      4.214 CV     1
 ASSI {  107}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HD1 ))
      3.100     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.30357E-02 ppm1      3.121 ppm2      3.976 CV     1
 OR {  107}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI {  108}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 200  and name HB2 ))
      2.600     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.14891E-02 ppm1      3.278 ppm2      3.624 CV     1
 ASSI {  109}
   (( segid "SAP" and resid 201  and name HG12))
   (( segid "SAP" and resid 201  and name HA  ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      3.640 ppm2      1.348 CV     1
 ASSI {  110}
   (( segid "SAP" and resid 201  and name HG12))
   (( segid "SAP" and resid 201  and name HG11))
      2.100     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.51128E-02 ppm1      2.205 ppm2      1.350 CV     1
 ASSI {  111}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HG2 ))
      2.400     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.72538E-02 ppm1      1.606 ppm2      3.979 CV     1
 ASSI {  112}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HG1 ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.37388E-02 ppm1      1.826 ppm2      3.985 CV     1
 ASSI {  113}
   (( segid "SAP" and resid 204  and name HB  ))
   (( segid "SAP" and resid 204  and name HA  ))
      3.000     1.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.22241E-02 ppm1      3.560 ppm2      1.551 CV     1
 ASSI {  116}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 205  and name HA  ))
      4.300     2.300     1.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.63591E-03 ppm1      3.975 ppm2     -0.027 CV     1
 ASSI {  117}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HB2 ))
      2.600     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.47933E-02 ppm1      1.817 ppm2      3.981 CV     1
 OR {  117}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HB1 ))
 ASSI {  118}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 205  and name HA  ))
      2.300     0.700     0.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.10800E-01 ppm1      3.975 ppm2      1.819 CV     1
 OR {  118}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 205  and name HA  ))
 OR {  118}
   (( segid "SAP" and resid 205  and name HG1 ))
   (( segid "SAP" and resid 205  and name HA  ))
 ASSI {  120}
   (( segid "SAP" and resid 205  and name HD1 ))
   (( segid "SAP" and resid 205  and name HG1 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.46655E-02 ppm1      1.820 ppm2      3.117 CV     1
 OR {  120}
   (( segid "SAP" and resid 205  and name HD2 ))
   (( segid "SAP" and resid 205  and name HG1 ))
 ASSI {  122}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 207  and name HB2 ))
      2.600     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.56880E-02 ppm1      2.625 ppm2      4.457 CV     1
 ASSI {  123}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 207  and name HB1 ))
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.61034E-02 ppm1      2.698 ppm2      4.458 CV     1
 ASSI {  127}
   (( segid "SAP" and resid 210  and name HB2 ))
   (( segid "SAP" and resid 210  and name HA  ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.43459E-02 ppm1      4.271 ppm2      1.731 CV     1
 ASSI {  128}
   (( segid "SAP" and resid 210  and name HD1 ))
   (( segid "SAP" and resid 210  and name HA  ))
      3.400     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.17319E-02 ppm1      4.270 ppm2      1.620 CV     1
 OR {  128}
   (( segid "SAP" and resid 210  and name HD2 ))
   (( segid "SAP" and resid 210  and name HA  ))
 ASSI {  131}
   (( segid "SAP" and resid 204  and name HB  ))
   (  segid "SAP" and resid 204  and name HG2%)
      2.200     0.600     0.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.96825E-02 ppm1     -0.029 ppm2      1.544 CV     1
 ASSI {  133}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 169  and name HA  ))
      2.500     0.800     0.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.65189E-02 ppm1      4.489 ppm2      1.069 CV     1
 ASSI {  135}
   (  segid "SAP" and resid 201  and name HG2%)
   (  segid "SAP" and resid 204  and name HG1%)
      4.200     2.200     1.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.63271E-03 ppm1      0.316 ppm2      1.029 CV     1
 OR {  135}
   (  segid "SAP" and resid 201  and name HD1%)
   (  segid "SAP" and resid 204  and name HG1%)
 ASSI {  137}
   (( segid "SAP" and resid 204  and name HB  ))
   (  segid "SAP" and resid 204  and name HG1%)
      2.300     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.78612E-02 ppm1      0.313 ppm2      1.547 CV     1
 ASSI {  142}
   (( segid "SAP" and resid 204  and name HA  ))
   (  segid "SAP" and resid 204  and name HG1%)
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.56241E-02 ppm1      0.314 ppm2      3.548 CV     1
 ASSI {  143}
   (( segid "SAP" and resid 205  and name HA  ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.700     1.700     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.64550E-03 ppm1      0.311 ppm2      3.985 CV     1
 ASSI {  144}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 158  and name HB1 ))
      3.400     1.400     1.400 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17895E-02 ppm1      2.074 ppm2      0.801 CV     1
 OR {  144}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 158  and name HB1 ))
 ASSI {  145}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 158  and name HB1 ))
      2.700     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.22336E-02 ppm1      2.073 ppm2      0.657 CV     1
 OR {  145}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 158  and name HB1 ))
 ASSI {  146}
   (( segid "SAP" and resid 203  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG1%)
      4.400     2.400     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.50489E-03 ppm1      0.317 ppm2      4.255 CV     1
 ASSI {  148}
   (( segid "SAP" and resid 167  and name HB1 ))
   (( segid "SAP" and resid 167  and name HA  ))
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.21953E-02 ppm1      4.541 ppm2      1.638 CV     1
 OR {  148}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 167  and name HA  ))
 ASSI {  149}
   (( segid "SAP" and resid 203  and name HB1 ))
   (( segid "SAP" and resid 203  and name HB2 ))
      1.900     0.400     0.400 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13453E-01 ppm1      3.980 ppm2      4.260 CV     1
 ASSI {  150}
   (( segid "SAP" and resid 160  and name HD1 ))
   (( segid "SAP" and resid 160  and name HG1 ))
      2.600     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      1.872 ppm2      3.460 CV     1
 OR {  150}
   (( segid "SAP" and resid 160  and name HD2 ))
   (( segid "SAP" and resid 160  and name HG1 ))
 ASSI {  151}
   (( segid "SAP" and resid 160  and name HD1 ))
   (( segid "SAP" and resid 160  and name HG2 ))
      2.300     0.700     0.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.62312E-02 ppm1      1.551 ppm2      3.463 CV     1
 OR {  151}
   (( segid "SAP" and resid 160  and name HD2 ))
   (( segid "SAP" and resid 160  and name HG2 ))
 ASSI {  153}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 173  and name HG  ))
      2.200     0.600     0.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.10960E-01 ppm1      1.821 ppm2      0.855 CV     1
 ASSI {  156}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 176  and name HA  ))
      2.300     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10737E-01 ppm1      4.024 ppm2      1.512 CV     1
 ASSI {  157}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HB2 ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.34831E-02 ppm1      3.162 ppm2     -0.827 CV     1
 OR {  157}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HB1 ))
 ASSI {  158}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 189  and name HG12))
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      0.435 ppm2      0.694 CV     1
 OR {  158}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 189  and name HG12))
 ASSI {  159}
   (( segid "SAP" and resid 189  and name HG12))
   (( segid "SAP" and resid 189  and name HG11))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.27673E-02 ppm1      1.502 ppm2      0.442 CV     1
 ASSI {  160}
   (  segid "SAP" and resid 202  and name HE% )
   (( segid "SAP" and resid 202  and name HA  ))
      4.200     2.300     1.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.12654E-03 ppm1      4.159 ppm2     -1.211 CV     1
 ASSI {  162}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 202  and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      4.155 ppm2      1.815 CV     1
 OR {  162}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 202  and name HA  ))
 ASSI {  163}
   (( segid "SAP" and resid 202  and name HB2 ))
   (( segid "SAP" and resid 202  and name HA  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.81168E-02 ppm1      4.159 ppm2      3.156 CV     1
 OR {  163}
   (( segid "SAP" and resid 202  and name HB1 ))
   (( segid "SAP" and resid 202  and name HA  ))
 ASSI {  165}
   (  segid "SAP" and resid 197  and name HD1%)
   (  segid "SAP" and resid 201  and name HD1%)
      4.000     2.000     2.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.58477E-03 ppm1      1.035 ppm2      0.595 CV     1
 ASSI {  166}
   (( segid "SAP" and resid 201  and name HG12))
   (  segid "SAP" and resid 201  and name HD1%)
      2.300     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.77648E-02 ppm1      1.037 ppm2      1.345 CV     1
 ASSI {  167}
   (( segid "SAP" and resid 201  and name HA  ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.600     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.18214E-02 ppm1      1.035 ppm2      3.644 CV     1
 ASSI {  173}
   (( segid "SAP" and resid 198  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
      4.300     2.300     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.54324E-03 ppm1      1.025 ppm2      3.858 CV     1
 ASSI {  174}
   (( segid "SAP" and resid 202  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
      3.800     1.800     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      1.026 ppm2      4.161 CV     1
 ASSI {  175}
   (( segid "SAP" and resid 201  and name HA  ))
   (  segid "SAP" and resid 201  and name HG2%)
      3.100     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.14252E-02 ppm1      1.026 ppm2      3.639 CV     1
 ASSI {  176}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HG11))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.55283E-02 ppm1      2.201 ppm2      1.034 CV     1
 OR {  176}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HG11))
 ASSI {  177}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HG12))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.45376E-02 ppm1      1.346 ppm2      1.037 CV     1
 OR {  177}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HG12))
 ASSI {  179}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HB  ))
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10673E-01 ppm1      2.028 ppm2      1.032 CV     1
 OR {  179}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HB  ))
 ASSI {  180}
   (( segid "SAP" and resid 201  and name HG11))
   (( segid "SAP" and resid 201  and name HB  ))
      2.800     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20355E-02 ppm1      2.027 ppm2      2.214 CV     1
 ASSI {  184}
   (  segid "SAP" and resid 204  and name HG1%)
   (( segid "SAP" and resid 201  and name HA  ))
      3.900     1.900     1.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      3.640 ppm2      0.316 CV     1
 ASSI {  185}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HA  ))
      2.600     0.800     0.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.49530E-02 ppm1      3.640 ppm2      1.032 CV     1
 OR {  185}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HA  ))
 ASSI {  186}
   (( segid "SAP" and resid 201  and name HG11))
   (( segid "SAP" and resid 201  and name HA  ))
      3.200     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      3.644 ppm2      2.198 CV     1
 ASSI {  187}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 182  and name HA  ))
      3.200     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.12015E-02 ppm1      3.312 ppm2     -1.283 CV     1
 ASSI {  188}
   (( segid "SAP" and resid 185  and name HD2 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.600     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.45696E-02 ppm1      0.773 ppm2     -0.999 CV     1
 ASSI {  189}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "SAP" and resid 167  and name HD1%)
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.67105E-02 ppm1      0.872 ppm2     -1.280 CV     1
 ASSI {  192}
   (( segid "SAP" and resid 139  and name HG2 ))
   (( segid "SAP" and resid 139  and name HA  ))
      3.100     1.200     1.200 peak   192 spectrum    1 weight  0.10000E+01 volume  0.39944E-02 ppm1      4.473 ppm2      1.980 CV     1
 OR {  192}
   (( segid "SAP" and resid 139  and name HG1 ))
   (( segid "SAP" and resid 139  and name HA  ))
 ASSI {  193}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 139  and name HA  ))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.19556E-03 ppm1      4.465 ppm2      0.922 CV     1
 OR {  193}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 139  and name HA  ))
 ASSI {  194}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 140  and name HA  ))
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.36109E-02 ppm1      4.048 ppm2      0.926 CV     1
 OR {  194}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 140  and name HA  ))
 ASSI {  195}
   (  segid "SAP" and resid 219  and name HG1%)
   (( segid "SAP" and resid 219  and name HA  ))
      3.400     1.500     1.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      4.042 ppm2      0.839 CV     1
 OR {  195}
   (  segid "SAP" and resid 219  and name HG2%)
   (( segid "SAP" and resid 219  and name HA  ))
 ASSI {  196}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 141  and name HA  ))
      3.000     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.21154E-02 ppm1      4.355 ppm2      2.319 CV     1
 OR {  196}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 141  and name HA  ))
 ASSI {  197}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 141  and name HA  ))
      2.700     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.35790E-02 ppm1      4.358 ppm2      2.057 CV     1
 ASSI {  199}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 141  and name HA  ))
      4.300     2.300     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.30549E-03 ppm1      4.359 ppm2      0.914 CV     1
 OR {  199}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 141  and name HA  ))
 ASSI {  201}
   (( segid "SAP" and resid 141  and name HA  ))
   (( segid "SAP" and resid 141  and name HB2 ))
      2.800     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      1.933 ppm2      4.356 CV     1
 ASSI {  202}
   (( segid "SAP" and resid 196  and name HA  ))
   (( segid "SAP" and resid 199  and name HB2 ))
      3.700     1.700     1.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      2.915 ppm2      3.756 CV     1
 ASSI {  205}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 199  and name HA  ))
      3.700     1.700     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.68703E-03 ppm1      4.216 ppm2      1.256 CV     1
 ASSI {  209}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 143  and name HA  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.42180E-02 ppm1      4.198 ppm2      1.876 CV     1
 ASSI {  210}
   (( segid "SAP" and resid 143  and name HG11))
   (( segid "SAP" and resid 143  and name HA  ))
      3.600     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.81168E-03 ppm1      4.200 ppm2      1.416 CV     1
 ASSI {  211}
   (( segid "SAP" and resid 143  and name HG12))
   (( segid "SAP" and resid 143  and name HA  ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11919E-02 ppm1      4.198 ppm2      1.150 CV     1
 ASSI {  212}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 143  and name HA  ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.46655E-02 ppm1      4.198 ppm2      0.885 CV     1
 ASSI {  215}
   (( segid "SAP" and resid 143  and name HG12))
   (( segid "SAP" and resid 143  and name HB  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      1.871 ppm2      1.161 CV     1
 ASSI {  216}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 143  and name HB  ))
      2.200     0.600     0.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12335E-01 ppm1      1.872 ppm2      0.876 CV     1
 OR {  216}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "SAP" and resid 143  and name HB  ))
 ASSI {  222}
   (( segid "SAP" and resid 143  and name HG11))
   (( segid "SAP" and resid 143  and name HG12))
      1.700     0.400     0.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.24190E-01 ppm1      1.152 ppm2      1.413 CV     1
 ASSI {  223}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "SAP" and resid 143  and name HG12))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.84045E-02 ppm1      1.152 ppm2      0.866 CV     1
 OR {  223}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 143  and name HG12))
 ASSI {  224}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 143  and name HG11))
      2.500     0.800     0.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      1.413 ppm2      1.871 CV     1
 ASSI {  226}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "SAP" and resid 143  and name HG11))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.61673E-02 ppm1      1.414 ppm2      0.863 CV     1
 OR {  226}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 143  and name HG11))
 ASSI {  227}
   (( segid "SAP" and resid 141  and name HA  ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.60715E-03 ppm1      0.898 ppm2      4.324 CV     1
 ASSI {  231}
   (( segid "SAP" and resid 144  and name HB2 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.500     2.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.40583E-03 ppm1      0.891 ppm2      2.553 CV     1
 ASSI {  232}
   (( segid "SAP" and resid 144  and name HB1 ))
   (  segid "SAP" and resid 143  and name HG2%)
      5.100     3.300     0.900 peak   232 spectrum    1 weight  0.10000E+01 volume  0.19397E-03 ppm1      0.899 ppm2      2.639 CV     1
 ASSI {  233}
   (( segid "SAP" and resid 141  and name HG1 ))
   (  segid "SAP" and resid 143  and name HG2%)
      4.600     2.600     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.23232E-03 ppm1      0.896 ppm2      2.308 CV     1
 OR {  233}
   (( segid "SAP" and resid 141  and name HG2 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  234}
   (( segid "SAP" and resid 147  and name HG2 ))
   (  segid "SAP" and resid 143  and name HG2%)
      3.900     3.900     2.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.19588E-03 ppm1      0.899 ppm2      2.177 CV     1
 OR {  234}
   (( segid "SAP" and resid 147  and name HG1 ))
   (  segid "SAP" and resid 143  and name HG2%)
 ASSI {  236}
   (( segid "SAP" and resid 143  and name HG11))
   (  segid "SAP" and resid 143  and name HG2%)
      3.600     1.700     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.15338E-02 ppm1      0.896 ppm2      1.418 CV     1
 ASSI {  237}
   (( segid "SAP" and resid 143  and name HA  ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.100     2.100     1.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.95225E-03 ppm1      0.850 ppm2      4.201 CV     1
 ASSI {  238}
   (( segid "SAP" and resid 142  and name HB1 ))
   (  segid "SAP" and resid 143  and name HD1%)
      4.700     2.700     1.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.25852E-03 ppm1      0.850 ppm2      2.676 CV     1
 ASSI {  240}
   (( segid "SAP" and resid 143  and name HB  ))
   (  segid "SAP" and resid 143  and name HD1%)
      2.800     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.31955E-02 ppm1      0.850 ppm2      1.873 CV     1
 ASSI {  241}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 208  and name HE2 ))
      4.600     2.600     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.22305E-03 ppm1      2.930 ppm2     -0.032 CV     1
 OR {  241}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 208  and name HE1 ))
 ASSI {  242}
   (( segid "SAP" and resid 143  and name HG11))
   (  segid "SAP" and resid 143  and name HD1%)
      2.400     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.66466E-02 ppm1      0.850 ppm2      1.412 CV     1
 ASSI {  244}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 145  and name HA  ))
      2.300     0.600     0.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.74136E-02 ppm1      4.576 ppm2      3.807 CV     1
 ASSI {  245}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 145  and name HA  ))
      2.200     0.600     0.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.90114E-02 ppm1      4.575 ppm2      3.678 CV     1
 ASSI {  247}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 211  and name HA  ))
      4.500     2.500     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.22880E-03 ppm1      4.392 ppm2      1.840 CV     1
 ASSI {  249}
   (( segid "SAP" and resid 145  and name HA  ))
   (( segid "SAP" and resid 145  and name HB  ))
      2.500     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      4.077 ppm2      4.578 CV     1
 ASSI {  250}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 145  and name HB  ))
      3.600     1.600     1.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      4.077 ppm2      3.691 CV     1
 ASSI {  251}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 145  and name HB  ))
      3.800     1.800     1.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      4.078 ppm2      3.794 CV     1
 ASSI {  253}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 145  and name HB  ))
      2.300     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.10386E-01 ppm1      4.079 ppm2      1.216 CV     1
 ASSI {  254}
   (( segid "SAP" and resid 145  and name HA  ))
   (  segid "SAP" and resid 145  and name HG2%)
      2.500     0.800     0.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      1.214 ppm2      4.580 CV     1
 ASSI {  256}
   (( segid "SAP" and resid 146  and name HD2 ))
   (  segid "SAP" and resid 145  and name HG2%)
      2.800     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.35151E-02 ppm1      1.216 ppm2      3.700 CV     1
 ASSI {  260}
   (( segid "SAP" and resid 202  and name HB1 ))
   (  segid "SAP" and resid 198  and name HG2%)
      3.200     1.300     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.15594E-02 ppm1      1.244 ppm2      3.166 CV     1
 OR {  260}
   (( segid "SAP" and resid 202  and name HB2 ))
   (  segid "SAP" and resid 198  and name HG2%)
 ASSI {  261}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 146  and name HB1 ))
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.53045E-02 ppm1      1.748 ppm2      4.273 CV     1
 ASSI {  263}
   (( segid "SAP" and resid 198  and name HA  ))
   (  segid "SAP" and resid 198  and name HG2%)
      2.400     0.700     0.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.69662E-02 ppm1      1.247 ppm2      3.876 CV     1
 ASSI {  264}
   (( segid "SAP" and resid 146  and name HB1 ))
   (( segid "SAP" and resid 146  and name HB2 ))
      1.800     0.400     0.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.13773E-01 ppm1      1.046 ppm2      1.748 CV     1
 ASSI {  267}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 146  and name HG1 ))
      2.300     0.700     0.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.64550E-02 ppm1      1.861 ppm2      3.791 CV     1
 OR {  267}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI {  268}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 146  and name HG2 ))
      2.300     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.64550E-02 ppm1      1.862 ppm2      3.690 CV     1
 OR {  268}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 146  and name HG1 ))
 ASSI {  272}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 146  and name HD1 ))
      4.200     2.200     1.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.82446E-03 ppm1      3.789 ppm2      1.211 CV     1
 ASSI {  274}
   (( segid "SAP" and resid 139  and name HD1 ))
   (( segid "SAP" and resid 139  and name HG1 ))
      2.200     0.600     0.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.10098E-01 ppm1      1.980 ppm2      3.773 CV     1
 OR {  274}
   (( segid "SAP" and resid 139  and name HD1 ))
   (( segid "SAP" and resid 139  and name HG2 ))
 ASSI {  275}
   (( segid "SAP" and resid 139  and name HD2 ))
   (( segid "SAP" and resid 139  and name HG2 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.67744E-02 ppm1      1.979 ppm2      3.669 CV     1
 OR {  275}
   (( segid "SAP" and resid 139  and name HD2 ))
   (( segid "SAP" and resid 139  and name HG1 ))
 ASSI {  276}
   (( segid "SAP" and resid 139  and name HB1 ))
   (( segid "SAP" and resid 139  and name HG2 ))
      2.000     0.500     0.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17544E-01 ppm1      1.980 ppm2      2.256 CV     1
 OR {  276}
   (( segid "SAP" and resid 139  and name HB1 ))
   (( segid "SAP" and resid 139  and name HG1 ))
 ASSI {  277}
   (( segid "SAP" and resid 138  and name HA  ))
   (( segid "SAP" and resid 139  and name HD1 ))
      2.300     0.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.87236E-02 ppm1      3.768 ppm2      4.725 CV     1
 ASSI {  278}
   (( segid "SAP" and resid 138  and name HA  ))
   (( segid "SAP" and resid 139  and name HD2 ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.59756E-02 ppm1      3.679 ppm2      4.725 CV     1
 ASSI {  281}
   (( segid "SAP" and resid 139  and name HB1 ))
   (( segid "SAP" and resid 139  and name HD1 ))
      3.500     1.600     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.95225E-03 ppm1      3.767 ppm2      2.256 CV     1
 ASSI {  282}
   (( segid "SAP" and resid 147  and name HG2 ))
   (( segid "SAP" and resid 147  and name HA  ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      4.534 ppm2      2.197 CV     1
 OR {  282}
   (( segid "SAP" and resid 147  and name HG1 ))
   (( segid "SAP" and resid 147  and name HA  ))
 ASSI {  283}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 147  and name HA  ))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.61673E-02 ppm1      4.537 ppm2      1.953 CV     1
 ASSI {  284}
   (( segid "SAP" and resid 147  and name HB2 ))
   (( segid "SAP" and resid 147  and name HA  ))
      2.600     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.48252E-02 ppm1      4.535 ppm2      1.740 CV     1
 ASSI {  285}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 147  and name HA  ))
      4.300     2.300     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.81803E-03 ppm1      4.534 ppm2      0.968 CV     1
 ASSI {  288}
   (( segid "SAP" and resid 147  and name HG2 ))
   (( segid "SAP" and resid 147  and name HB2 ))
      2.200     0.600     0.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.13038E-01 ppm1      1.741 ppm2      2.203 CV     1
 OR {  288}
   (( segid "SAP" and resid 147  and name HG1 ))
   (( segid "SAP" and resid 147  and name HB2 ))
 ASSI {  290}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 147  and name HG1 ))
      2.000     0.500     0.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.21282E-01 ppm1      2.200 ppm2      1.951 CV     1
 OR {  290}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 147  and name HG2 ))
 ASSI {  292}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 147  and name HG2 ))
      4.200     2.200     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.33872E-03 ppm1      2.214 ppm2      1.214 CV     1
 OR {  292}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 147  and name HG1 ))
 ASSI {  293}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 147  and name HG1 ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.27225E-03 ppm1      2.215 ppm2      0.966 CV     1
 OR {  293}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 147  and name HG2 ))
 ASSI {  294}
   (( segid "SAP" and resid 148  and name HB  ))
   (( segid "SAP" and resid 148  and name HA  ))
      2.800     1.000     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.18885E-02 ppm1      3.899 ppm2      1.820 CV     1
 ASSI {  298}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 148  and name HA  ))
      5.100     3.300     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.29079E-03 ppm1      3.897 ppm2     -0.867 CV     1
 ASSI {  299}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 148  and name HB  ))
      2.200     0.600     0.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.92991E-02 ppm1      1.824 ppm2      0.967 CV     1
 ASSI {  300}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 148  and name HB  ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.72858E-02 ppm1      1.818 ppm2      0.668 CV     1
 ASSI {  303}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 198  and name HB  ))
      3.100     1.200     1.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.17671E-02 ppm1      4.276 ppm2      3.865 CV     1
 ASSI {  304}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 198  and name HA  ))
      3.300     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.11951E-02 ppm1      3.869 ppm2      1.037 CV     1
 OR {  304}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 198  and name HA  ))
 ASSI {  305}
   (( segid "SAP" and resid 201  and name HB  ))
   (( segid "SAP" and resid 198  and name HA  ))
      3.300     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.98103E-03 ppm1      3.864 ppm2      2.040 CV     1
 ASSI {  309}
   (  segid "SAP" and resid 197  and name HD1%)
   (  segid "SAP" and resid 197  and name HD2%)
      2.200     0.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12590E-01 ppm1     -0.048 ppm2      0.608 CV     1
 ASSI {  310}
   (( segid "SAP" and resid 165  and name HB1 ))
   (( segid "SAP" and resid 165  and name HA  ))
      2.700     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.29494E-02 ppm1      4.320 ppm2      2.899 CV     1
 ASSI {  312}
   (( segid "SAP" and resid 148  and name HA  ))
   (  segid "SAP" and resid 148  and name HG1%)
      2.800     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.50169E-02 ppm1      0.969 ppm2      3.899 CV     1
 ASSI {  313}
   (( segid "SAP" and resid 148  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.60715E-02 ppm1      0.664 ppm2      3.897 CV     1
 ASSI {  315}
   (( segid "SAP" and resid 197  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD2%)
      2.700     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.25692E-02 ppm1     -0.049 ppm2      1.712 CV     1
 ASSI {  316}
   (( segid "SAP" and resid 197  and name HG  ))
   (  segid "SAP" and resid 197  and name HD2%)
      2.300     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.61993E-02 ppm1     -0.050 ppm2      1.445 CV     1
 ASSI {  318}
   (( segid "SAP" and resid 164  and name HB2 ))
   (( segid "SAP" and resid 164  and name HA  ))
      2.800     1.000     1.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.29654E-02 ppm1      3.945 ppm2      2.617 CV     1
 ASSI {  319}
   (( segid "SAP" and resid 197  and name HA  ))
   (  segid "SAP" and resid 197  and name HD2%)
      2.400     0.700     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.53365E-02 ppm1     -0.044 ppm2      3.835 CV     1
 ASSI {  321}
   (( segid "SAP" and resid 147  and name HG1 ))
   (  segid "SAP" and resid 148  and name HG2%)
      4.200     2.200     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.49850E-03 ppm1      0.667 ppm2      2.210 CV     1
 OR {  321}
   (( segid "SAP" and resid 147  and name HG2 ))
   (  segid "SAP" and resid 148  and name HG2%)
 ASSI {  325}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 179  and name HG1%)
      3.200     3.200     2.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.71580E-03 ppm1      0.591 ppm2     -0.184 CV     1
 ASSI {  326}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "SAP" and resid 148  and name HG2%)
      2.500     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.44418E-02 ppm1      0.666 ppm2      1.246 CV     1
 ASSI {  327}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "SAP" and resid 148  and name HG1%)
      2.600     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.40902E-02 ppm1      0.970 ppm2      1.243 CV     1
 ASSI {  328}
   (  segid "SAP" and resid 148  and name HG1%)
   (  segid "SAP" and resid 148  and name HG2%)
      2.200     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.13229E-01 ppm1      0.664 ppm2      0.972 CV     1
 ASSI {  331}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 148  and name HG1%)
      3.100     1.200     1.200 peak   331 spectrum    1 weight  0.10000E+01 volume  0.15754E-02 ppm1      0.971 ppm2      0.199 CV     1
 ASSI {  332}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 148  and name HG2%)
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      0.665 ppm2      0.195 CV     1
 ASSI {  335}
   (( segid "SAP" and resid 149  and name HB1 ))
   (( segid "SAP" and resid 149  and name HA  ))
      2.800     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.27769E-02 ppm1      4.856 ppm2      2.881 CV     1
 ASSI {  336}
   (( segid "SAP" and resid 149  and name HB2 ))
   (( segid "SAP" and resid 149  and name HA  ))
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      4.857 ppm2      2.493 CV     1
 ASSI {  339}
   (( segid "SAP" and resid 149  and name HB1 ))
   (( segid "SAP" and resid 149  and name HB2 ))
      2.100     0.500     0.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.94904E-02 ppm1      2.492 ppm2      2.883 CV     1
 ASSI {  341}
   (( segid "SAP" and resid 150  and name HB1 ))
   (( segid "SAP" and resid 150  and name HA  ))
      2.900     1.000     1.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      3.804 ppm2      1.486 CV     1
 ASSI {  342}
   (( segid "SAP" and resid 150  and name HB2 ))
   (( segid "SAP" and resid 150  and name HA  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.22017E-02 ppm1      3.805 ppm2      1.096 CV     1
 ASSI {  343}
   (( segid "SAP" and resid 150  and name HG  ))
   (( segid "SAP" and resid 150  and name HA  ))
      3.000     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.20515E-02 ppm1      3.800 ppm2      1.240 CV     1
 ASSI {  344}
   (  segid "SAP" and resid 197  and name HD1%)
   (( segid "SAP" and resid 197  and name HG  ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.24861E-02 ppm1      1.445 ppm2      0.600 CV     1
 ASSI {  346}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 150  and name HA  ))
      3.900     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.10960E-02 ppm1      3.802 ppm2      0.457 CV     1
 ASSI {  347}
   (( segid "SAP" and resid 150  and name HB2 ))
   (( segid "SAP" and resid 150  and name HB1 ))
      2.300     0.700     0.700 peak   347 spectrum    1 weight  0.10000E+01 volume  0.27130E-02 ppm1      1.478 ppm2      1.102 CV     1
 ASSI {  354}
   (( segid "SAP" and resid 183  and name HA1 ))
   (  segid "SAP" and resid 150  and name HD1%)
      2.900     1.100     1.100 peak   354 spectrum    1 weight  0.10000E+01 volume  0.27290E-02 ppm1      0.442 ppm2      3.918 CV     1
 ASSI {  356}
   (( segid "SAP" and resid 183  and name HA2 ))
   (  segid "SAP" and resid 150  and name HD1%)
      2.600     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31508E-02 ppm1      0.441 ppm2      3.588 CV     1
 ASSI {  358}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 150  and name HD1%)
      4.300     2.300     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.27673E-03 ppm1      0.443 ppm2      3.185 CV     1
 ASSI {  359}
   (( segid "SAP" and resid 186  and name HB2 ))
   (  segid "SAP" and resid 150  and name HD1%)
      3.300     1.400     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      0.442 ppm2      3.012 CV     1
 ASSI {  360}
   (( segid "SAP" and resid 182  and name HB  ))
   (  segid "SAP" and resid 150  and name HD1%)
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.15466E-02 ppm1      0.441 ppm2      1.691 CV     1
 ASSI {  361}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "SAP" and resid 150  and name HD1%)
      2.600     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.39624E-02 ppm1      0.445 ppm2      1.483 CV     1
 ASSI {  362}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "SAP" and resid 150  and name HD1%)
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.48572E-02 ppm1      0.443 ppm2      1.255 CV     1
 ASSI {  363}
   (( segid "SAP" and resid 150  and name HB2 ))
   (  segid "SAP" and resid 150  and name HD1%)
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.33553E-02 ppm1      0.443 ppm2      1.093 CV     1
 ASSI {  365}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 150  and name HD1%)
      3.200     1.300     1.300 peak   365 spectrum    1 weight  0.10000E+01 volume  0.43459E-02 ppm1      0.443 ppm2     -0.194 CV     1
 ASSI {  367}
   (( segid "SAP" and resid 163  and name HG2 ))
   (( segid "SAP" and resid 163  and name HA  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      4.160 ppm2      1.596 CV     1
 ASSI {  368}
   (( segid "SAP" and resid 150  and name HA  ))
   (  segid "SAP" and resid 150  and name HD2%)
      2.400     0.700     0.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.53685E-02 ppm1      0.196 ppm2      3.802 CV     1
 ASSI {  370}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 163  and name HA  ))
      2.300     0.700     0.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.81803E-02 ppm1      4.166 ppm2      1.950 CV     1
 OR {  370}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 163  and name HA  ))
 ASSI {  371}
   (( segid "SAP" and resid 148  and name HB  ))
   (  segid "SAP" and resid 150  and name HD2%)
      3.600     1.600     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.14092E-02 ppm1      0.195 ppm2      1.807 CV     1
 ASSI {  372}
   (( segid "SAP" and resid 153  and name HG  ))
   (  segid "SAP" and resid 150  and name HD2%)
      3.500     1.500     1.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14092E-02 ppm1      0.196 ppm2      1.632 CV     1
 ASSI {  373}
   (( segid "SAP" and resid 150  and name HB1 ))
   (  segid "SAP" and resid 150  and name HD2%)
      2.600     0.800     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      0.194 ppm2      1.485 CV     1
 ASSI {  375}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "SAP" and resid 150  and name HD2%)
      2.200     0.600     0.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.89792E-02 ppm1      0.194 ppm2      1.245 CV     1
 ASSI {  377}
   (( segid "SAP" and resid 197  and name HB2 ))
   (( segid "SAP" and resid 197  and name HA  ))
      3.100     1.200     1.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.21953E-02 ppm1      3.831 ppm2      1.149 CV     1
 ASSI {  379}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "SAP" and resid 150  and name HD2%)
      2.200     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.11919E-01 ppm1      0.194 ppm2      0.449 CV     1
 ASSI {  380}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 150  and name HD2%)
      3.300     1.300     1.300 peak   380 spectrum    1 weight  0.10000E+01 volume  0.24829E-02 ppm1      0.197 ppm2     -0.194 CV     1
 ASSI {  381}
   (( segid "SAP" and resid 197  and name HB1 ))
   (( segid "SAP" and resid 197  and name HA  ))
      2.800     1.000     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.17927E-02 ppm1      3.834 ppm2      1.707 CV     1
 ASSI {  382}
   (( segid "SAP" and resid 200  and name HB2 ))
   (( segid "SAP" and resid 197  and name HA  ))
      3.500     1.600     1.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.15754E-02 ppm1      3.828 ppm2      3.273 CV     1
 ASSI {  384}
   (( segid "SAP" and resid 175  and name HE2 ))
   (( segid "SAP" and resid 151  and name HA  ))
      3.000     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.14188E-02 ppm1      3.825 ppm2      2.523 CV     1
 ASSI {  385}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 151  and name HA  ))
      3.800     1.800     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.67105E-03 ppm1      3.822 ppm2      0.694 CV     1
 ASSI {  386}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 151  and name HA  ))
      2.600     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.47933E-02 ppm1      3.824 ppm2      0.587 CV     1
 ASSI {  387}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 151  and name HA  ))
      3.000     1.100     1.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      3.820 ppm2      0.476 CV     1
 ASSI {  388}
   (( segid "SAP" and resid 151  and name HA  ))
   (( segid "SAP" and resid 151  and name HB1 ))
      2.900     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      3.192 ppm2      3.827 CV     1
 ASSI {  389}
   (( segid "SAP" and resid 151  and name HA  ))
   (( segid "SAP" and resid 151  and name HB2 ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.36109E-02 ppm1      3.041 ppm2      3.829 CV     1
 ASSI {  395}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 153  and name HA  ))
      3.000     1.100     1.100 peak   395 spectrum    1 weight  0.10000E+01 volume  0.24957E-02 ppm1      4.445 ppm2      1.196 CV     1
 ASSI {  396}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 153  and name HB1 ))
      2.300     0.700     0.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28280E-02 ppm1      1.875 ppm2      1.191 CV     1
 ASSI {  397}
   (( segid "SAP" and resid 170  and name HD1 ))
   (( segid "SAP" and resid 170  and name HG1 ))
      2.300     0.600     0.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.91713E-02 ppm1      1.626 ppm2      3.167 CV     1
 OR {  397}
   (( segid "SAP" and resid 170  and name HD2 ))
   (( segid "SAP" and resid 170  and name HG2 ))
 OR {  397}
   (( segid "SAP" and resid 170  and name HD1 ))
   (( segid "SAP" and resid 170  and name HG2 ))
 OR {  397}
   (( segid "SAP" and resid 170  and name HD2 ))
   (( segid "SAP" and resid 170  and name HG1 ))
 ASSI {  399}
   (( segid "SAP" and resid 157  and name HA  ))
   (  segid "SAP" and resid 153  and name HD1%)
      5.000     3.200     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.23359E-03 ppm1      0.886 ppm2      4.134 CV     1
 ASSI {  400}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 197  and name HA  ))
      2.900     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.14060E-02 ppm1      3.828 ppm2      3.607 CV     1
 ASSI {  402}
   (( segid "SAP" and resid 161  and name HB2 ))
   (( segid "SAP" and resid 161  and name HA  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.31316E-02 ppm1      3.866 ppm2      2.652 CV     1
 OR {  402}
   (( segid "SAP" and resid 161  and name HB1 ))
   (( segid "SAP" and resid 161  and name HA  ))
 ASSI {  403}
   (( segid "SAP" and resid 213  and name HA  ))
   (( segid "SAP" and resid 213  and name HG  ))
      3.300     1.400     1.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      1.577 ppm2      4.267 CV     1
 ASSI {  405}
   (( segid "SAP" and resid 213  and name HA  ))
   (  segid "SAP" and resid 213  and name HD1%)
      3.700     1.700     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.63910E-03 ppm1      0.874 ppm2      4.253 CV     1
 ASSI {  406}
   (( segid "SAP" and resid 153  and name HG  ))
   (  segid "SAP" and resid 153  and name HD1%)
      2.300     0.700     0.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      0.886 ppm2      1.626 CV     1
 ASSI {  408}
   (( segid "SAP" and resid 153  and name HA  ))
   (  segid "SAP" and resid 153  and name HD2%)
      2.900     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      0.753 ppm2      4.429 CV     1
 ASSI {  409}
   (( segid "SAP" and resid 150  and name HA  ))
   (  segid "SAP" and resid 153  and name HD2%)
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.17607E-02 ppm1      0.749 ppm2      3.806 CV     1
 ASSI {  410}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 153  and name HD2%)
      3.200     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.43139E-02 ppm1      0.754 ppm2      0.195 CV     1
 ASSI {  412}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 178  and name HD2%)
      3.400     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      0.751 ppm2     -0.193 CV     1
 ASSI {  413}
   (( segid "SAP" and resid 213  and name HB2 ))
   (( segid "SAP" and resid 213  and name HA  ))
      2.400     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.84680E-02 ppm1      4.258 ppm2      1.581 CV     1
 OR {  413}
   (( segid "SAP" and resid 213  and name HB1 ))
   (( segid "SAP" and resid 213  and name HA  ))
 OR {  413}
   (( segid "SAP" and resid 213  and name HG  ))
   (( segid "SAP" and resid 213  and name HA  ))
 ASSI {  414}
   (  segid "SAP" and resid 213  and name HD2%)
   (( segid "SAP" and resid 213  and name HA  ))
      2.700     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.43139E-02 ppm1      4.259 ppm2      0.821 CV     1
 ASSI {  418}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HB2 ))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.96503E-02 ppm1      2.157 ppm2      2.613 CV     1
 OR {  418}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HB2 ))
 ASSI {  419}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HB1 ))
      2.400     0.700     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.73497E-02 ppm1      2.398 ppm2      2.613 CV     1
 OR {  419}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HB1 ))
 ASSI {  420}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 154  and name HB1 ))
      1.900     0.400     0.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.12079E-01 ppm1      2.395 ppm2      2.161 CV     1
 ASSI {  424}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 155  and name HA  ))
      3.000     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.12111E-02 ppm1      3.619 ppm2      1.185 CV     1
 ASSI {  425}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 155  and name HA  ))
      3.000     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.14252E-02 ppm1      3.616 ppm2      0.807 CV     1
 ASSI {  426}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 155  and name HA  ))
      2.400     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.53365E-02 ppm1      3.620 ppm2      0.664 CV     1
 ASSI {  427}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 155  and name HB  ))
      2.500     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.46974E-02 ppm1      2.085 ppm2      3.621 CV     1
 ASSI {  434}
   (( segid "SAP" and resid 196  and name HB  ))
   (  segid "SAP" and resid 196  and name HG2%)
      2.200     0.600     0.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.86280E-02 ppm1      1.041 ppm2      4.049 CV     1
 ASSI {  435}
   (( segid "SAP" and resid 155  and name HA  ))
   (  segid "SAP" and resid 155  and name HG1%)
      2.400     0.700     0.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.78612E-02 ppm1      1.044 ppm2      3.623 CV     1
 ASSI {  437}
   (( segid "SAP" and resid 159  and name HD1 ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      1.040 ppm2      3.179 CV     1
 OR {  437}
   (( segid "SAP" and resid 159  and name HD2 ))
   (  segid "SAP" and resid 155  and name HG1%)
 ASSI {  438}
   (( segid "SAP" and resid 156  and name HA  ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.800     1.800     1.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.55602E-03 ppm1      1.041 ppm2      4.443 CV     1
 ASSI {  440}
   (( segid "SAP" and resid 175  and name HE1 ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.000     3.000     3.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.27577E-02 ppm1      1.042 ppm2      2.709 CV     1
 ASSI {  443}
   (( segid "SAP" and resid 155  and name HB  ))
   (  segid "SAP" and resid 155  and name HG1%)
      2.300     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.98424E-02 ppm1      1.043 ppm2      2.090 CV     1
 ASSI {  446}
   (  segid "SAP" and resid 178  and name HD1%)
   (  segid "SAP" and resid 155  and name HG1%)
      2.400     0.700     0.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.80204E-02 ppm1      1.042 ppm2      0.806 CV     1
 ASSI {  447}
   (  segid "SAP" and resid 191  and name HG2%)
   (  segid "SAP" and resid 196  and name HG2%)
      2.600     0.800     0.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.73816E-02 ppm1      1.042 ppm2      0.678 CV     1
 ASSI {  448}
   (( segid "SAP" and resid 199  and name HB1 ))
   (( segid "SAP" and resid 196  and name HA  ))
      4.400     2.400     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      3.750 ppm2      3.161 CV     1
 ASSI {  449}
   (( segid "SAP" and resid 196  and name HB  ))
   (( segid "SAP" and resid 196  and name HA  ))
      3.600     1.600     1.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.62312E-03 ppm1      3.750 ppm2      4.041 CV     1
 ASSI {  451}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 195  and name HA  ))
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.74136E-03 ppm1      4.362 ppm2      1.246 CV     1
 ASSI {  452}
   (  segid "SAP" and resid 197  and name HD2%)
   (  segid "SAP" and resid 196  and name HG2%)
      3.500     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      1.036 ppm2     -0.046 CV     1
 ASSI {  455}
   (( segid "SAP" and resid 140  and name HA  ))
   (  segid "SAP" and resid 140  and name HG1%)
      3.000     1.200     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20547E-02 ppm1      0.912 ppm2      4.048 CV     1
 ASSI {  456}
   (( segid "SAP" and resid 175  and name HA  ))
   (  segid "SAP" and resid 155  and name HG2%)
      3.400     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11248E-02 ppm1      0.944 ppm2      3.752 CV     1
 ASSI {  457}
   (( segid "SAP" and resid 155  and name HA  ))
   (  segid "SAP" and resid 155  and name HG2%)
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      0.951 ppm2      3.623 CV     1
 ASSI {  458}
   (( segid "SAP" and resid 159  and name HD1 ))
   (  segid "SAP" and resid 155  and name HG2%)
      2.700     2.700     3.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.40583E-02 ppm1      0.949 ppm2      3.183 CV     1
 OR {  458}
   (( segid "SAP" and resid 159  and name HD2 ))
   (  segid "SAP" and resid 155  and name HG2%)
 ASSI {  467}
   (( segid "SAP" and resid 194  and name HG2 ))
   (( segid "SAP" and resid 195  and name HA  ))
      4.600     2.700     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.25116E-03 ppm1      4.364 ppm2      1.411 CV     1
 ASSI {  468}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 156  and name HA  ))
      2.500     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.60075E-02 ppm1      4.439 ppm2      1.905 CV     1
 OR {  468}
   (( segid "SAP" and resid 159  and name HG1 ))
   (( segid "SAP" and resid 156  and name HA  ))
 OR {  468}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 156  and name HA  ))
 ASSI {  469}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 156  and name HA  ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.96503E-03 ppm1      4.437 ppm2      0.950 CV     1
 ASSI {  470}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 156  and name HB2 ))
      2.600     0.800     0.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.55283E-02 ppm1      2.806 ppm2      4.445 CV     1
 ASSI {  471}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 156  and name HB1 ))
      2.400     0.700     0.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.70621E-02 ppm1      2.883 ppm2      4.446 CV     1
 ASSI {  473}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 157  and name HA  ))
      3.100     1.200     1.200 peak   473 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.152 ppm2      2.119 CV     1
 ASSI {  474}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 157  and name HA  ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.20643E-02 ppm1      4.153 ppm2      2.234 CV     1
 ASSI {  476}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 157  and name HB  ))
      3.100     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.16840E-02 ppm1      4.403 ppm2      4.149 CV     1
 ASSI {  477}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 157  and name HB  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.64230E-03 ppm1      4.403 ppm2      0.887 CV     1
 ASSI {  478}
   (  segid "SAP" and resid 153  and name HD2%)
   (( segid "SAP" and resid 157  and name HB  ))
      3.500     1.500     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      4.409 ppm2      0.764 CV     1
 ASSI {  479}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 157  and name HB  ))
      4.400     2.400     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.38985E-03 ppm1      4.404 ppm2      0.663 CV     1
 OR {  479}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 157  and name HB  ))
 ASSI {  480}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 157  and name HB  ))
      3.400     1.500     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.43459E-03 ppm1      4.402 ppm2      1.878 CV     1
 ASSI {  481}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "SAP" and resid 193  and name HA  ))
      3.600     1.600     1.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      3.522 ppm2      0.679 CV     1
 ASSI {  482}
   (( segid "SAP" and resid 157  and name HB  ))
   (  segid "SAP" and resid 157  and name HG2%)
      2.200     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.99702E-02 ppm1      1.444 ppm2      4.421 CV     1
 ASSI {  483}
   (( segid "SAP" and resid 157  and name HA  ))
   (  segid "SAP" and resid 157  and name HG2%)
      2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.60715E-02 ppm1      1.444 ppm2      4.154 CV     1
 ASSI {  484}
   (( segid "SAP" and resid 160  and name HD2 ))
   (  segid "SAP" and resid 157  and name HG2%)
      3.600     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.75735E-03 ppm1      1.449 ppm2      3.453 CV     1
 OR {  484}
   (( segid "SAP" and resid 160  and name HD1 ))
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  487}
   (  segid "SAP" and resid 158  and name HD2%)
   (  segid "SAP" and resid 157  and name HG2%)
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23966E-02 ppm1      1.443 ppm2      0.659 CV     1
 OR {  487}
   (  segid "SAP" and resid 158  and name HD1%)
   (  segid "SAP" and resid 157  and name HG2%)
 ASSI {  488}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 193  and name HA  ))
      4.300     2.300     1.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.43139E-03 ppm1      3.522 ppm2      1.040 CV     1
 ASSI {  489}
   (( segid "SAP" and resid 193  and name HB1 ))
   (( segid "SAP" and resid 193  and name HA  ))
      2.300     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.79569E-02 ppm1      3.522 ppm2      2.041 CV     1
 OR {  489}
   (( segid "SAP" and resid 193  and name HG2 ))
   (( segid "SAP" and resid 193  and name HA  ))
 OR {  489}
   (( segid "SAP" and resid 193  and name HB2 ))
   (( segid "SAP" and resid 193  and name HA  ))
 ASSI {  490}
   (( segid "SAP" and resid 161  and name HB1 ))
   (( segid "SAP" and resid 158  and name HA  ))
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.44737E-03 ppm1      3.930 ppm2      2.663 CV     1
 OR {  490}
   (( segid "SAP" and resid 161  and name HB2 ))
   (( segid "SAP" and resid 158  and name HA  ))
 ASSI {  491}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 158  and name HA  ))
      3.300     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      3.926 ppm2      1.175 CV     1
 ASSI {  493}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 158  and name HB1 ))
      2.200     0.600     0.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      2.074 ppm2      1.193 CV     1
 ASSI {  501}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 160  and name HG1 ))
      2.800     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.20164E-02 ppm1      1.874 ppm2      4.001 CV     1
 ASSI {  503}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 160  and name HG1 ))
      1.900     0.400     0.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.10865E-01 ppm1      1.872 ppm2      1.554 CV     1
 ASSI {  505}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HG2 ))
      2.900     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.10928E-02 ppm1      1.550 ppm2      2.223 CV     1
 ASSI {  506}
   (( segid "SAP" and resid 193  and name HG1 ))
   (( segid "SAP" and resid 193  and name HA  ))
      2.600     0.800     0.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.31700E-02 ppm1      3.525 ppm2      2.217 CV     1
 ASSI {  507}
   (( segid "SAP" and resid 196  and name HB  ))
   (( segid "SAP" and resid 193  and name HA  ))
      3.000     1.100     1.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.14476E-02 ppm1      3.519 ppm2      4.049 CV     1
 ASSI {  508}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 192  and name HB2 ))
      1.700     0.400     0.500 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23487E-01 ppm1      2.615 ppm2      2.903 CV     1
 ASSI {  509}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "SAP" and resid 192  and name HA  ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.69982E-03 ppm1      4.745 ppm2      0.677 CV     1
 ASSI {  510}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 192  and name HA  ))
      2.500     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.45057E-02 ppm1      4.753 ppm2      2.899 CV     1
 ASSI {  512}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 154  and name HA  ))
      2.900     1.000     1.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      4.260 ppm2      2.159 CV     1
 ASSI {  513}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 154  and name HA  ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.60395E-02 ppm1      4.259 ppm2      2.399 CV     1
 ASSI {  514}
   (( segid "SAP" and resid 191  and name HA  ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.600     0.800     0.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.68384E-02 ppm1      0.737 ppm2      3.976 CV     1
 ASSI {  515}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HA  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.69662E-02 ppm1      4.259 ppm2      2.621 CV     1
 OR {  515}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HA  ))
 ASSI {  516}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 153  and name HA  ))
      3.000     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.62952E-02 ppm1      4.442 ppm2      0.887 CV     1
 ASSI {  517}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HB2 ))
      2.600     0.800     0.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      2.109 ppm2      3.943 CV     1
 OR {  517}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HB1 ))
 ASSI {  518}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 163  and name HA  ))
      3.500     1.600     1.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.67105E-03 ppm1      4.163 ppm2      3.846 CV     1
 ASSI {  519}
   (( segid "SAP" and resid 163  and name HG1 ))
   (( segid "SAP" and resid 163  and name HA  ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.30485E-02 ppm1      4.161 ppm2      1.829 CV     1
 ASSI {  521}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HB2 ))
      2.400     0.700     0.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.73497E-02 ppm1      1.935 ppm2      3.212 CV     1
 OR {  521}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HB1 ))
 ASSI {  524}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HG2 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      1.598 ppm2      3.230 CV     1
 ASSI {  526}
   (( segid "SAP" and resid 195  and name HB2 ))
   (( segid "SAP" and resid 194  and name HA  ))
      4.100     2.100     1.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.73816E-03 ppm1      3.944 ppm2      2.497 CV     1
 ASSI {  528}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 152  and name HA  ))
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.45696E-02 ppm1      4.079 ppm2      2.319 CV     1
 OR {  528}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 152  and name HA  ))
 ASSI {  529}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 165  and name HA  ))
      3.300     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.13805E-02 ppm1      4.322 ppm2      2.074 CV     1
 ASSI {  531}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 165  and name HB1 ))
      2.200     0.600     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.47294E-02 ppm1      2.890 ppm2      2.077 CV     1
 ASSI {  533}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 166  and name HB1 ))
      1.900     0.500     0.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.12079E-01 ppm1      2.012 ppm2      1.788 CV     1
 ASSI {  537}
   (( segid "SAP" and resid 166  and name HB1 ))
   (( segid "SAP" and resid 166  and name HG2 ))
      2.600     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.49850E-02 ppm1      1.265 ppm2      2.012 CV     1
 OR {  537}
   (( segid "SAP" and resid 166  and name HB1 ))
   (( segid "SAP" and resid 166  and name HG1 ))
 ASSI {  538}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 167  and name HA  ))
      2.400     0.700     0.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.48891E-02 ppm1      4.539 ppm2      4.017 CV     1
 ASSI {  540}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 167  and name HA  ))
      3.800     1.800     1.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.13325E-02 ppm1      4.540 ppm2      0.874 CV     1
 ASSI {  542}
   (( segid "SAP" and resid 167  and name HA  ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.300     0.600     0.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.79890E-02 ppm1      0.774 ppm2      4.545 CV     1
 ASSI {  543}
   (( segid "SAP" and resid 168  and name HD2 ))
   (  segid "SAP" and resid 167  and name HD2%)
      3.200     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.22305E-02 ppm1      0.776 ppm2      3.664 CV     1
 ASSI {  544}
   (( segid "SAP" and resid 168  and name HB1 ))
   (( segid "SAP" and resid 168  and name HA  ))
      2.200     0.600     0.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.85958E-02 ppm1      4.504 ppm2      2.167 CV     1
 ASSI {  545}
   (( segid "SAP" and resid 168  and name HB2 ))
   (( segid "SAP" and resid 168  and name HA  ))
      2.600     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.58797E-02 ppm1      4.502 ppm2      1.940 CV     1
 ASSI {  546}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 169  and name HA  ))
      2.400     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.64869E-02 ppm1      4.491 ppm2      4.160 CV     1
 ASSI {  547}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 169  and name HA  ))
      4.600     2.600     1.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.46974E-03 ppm1      4.491 ppm2      2.928 CV     1
 OR {  547}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 169  and name HA  ))
 ASSI {  548}
   (( segid "SAP" and resid 170  and name HG2 ))
   (( segid "SAP" and resid 169  and name HA  ))
      4.400     2.400     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.34192E-03 ppm1      4.486 ppm2      1.603 CV     1
 OR {  548}
   (( segid "SAP" and resid 170  and name HG1 ))
   (( segid "SAP" and resid 169  and name HA  ))
 ASSI {  549}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 169  and name HA  ))
      3.200     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.24350E-02 ppm1      4.489 ppm2      0.860 CV     1
 ASSI {  550}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 169  and name HA  ))
      4.600     2.600     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.27737E-03 ppm1      4.488 ppm2      0.736 CV     1
 ASSI {  552}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 169  and name HB  ))
      4.300     2.300     1.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.48252E-03 ppm1      4.149 ppm2      2.931 CV     1
 OR {  552}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 169  and name HB  ))
 ASSI {  554}
   (( segid "SAP" and resid 173  and name HG  ))
   (( segid "SAP" and resid 169  and name HB  ))
      4.200     2.200     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.45376E-03 ppm1      4.157 ppm2      1.832 CV     1
 ASSI {  556}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 169  and name HB  ))
      2.200     0.600     0.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.11344E-01 ppm1      4.159 ppm2      1.069 CV     1
 ASSI {  557}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 169  and name HB  ))
      2.500     0.800     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.52087E-02 ppm1      4.159 ppm2      0.851 CV     1
 ASSI {  562}
   (( segid "SAP" and resid 173  and name HB1 ))
   (( segid "SAP" and resid 173  and name HA  ))
      2.300     0.600     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.80204E-02 ppm1      4.304 ppm2      1.782 CV     1
 OR {  562}
   (( segid "SAP" and resid 173  and name HG  ))
   (( segid "SAP" and resid 173  and name HA  ))
 ASSI {  563}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 173  and name HA  ))
      2.900     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.33872E-02 ppm1      4.302 ppm2      1.460 CV     1
 ASSI {  565}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 173  and name HG  ))
      3.000     1.100     1.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      1.818 ppm2      1.492 CV     1
 ASSI {  569}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.300     1.400     1.400 peak   569 spectrum    1 weight  0.10000E+01 volume  0.19621E-02 ppm1      0.848 ppm2      4.056 CV     1
 ASSI {  570}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.500     1.500     1.500 peak   570 spectrum    1 weight  0.10000E+01 volume  0.85323E-03 ppm1      0.847 ppm2      2.932 CV     1
 OR {  570}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 173  and name HD1%)
 ASSI {  571}
   (( segid "SAP" and resid 177  and name HB1 ))
   (  segid "SAP" and resid 173  and name HD1%)
      3.600     1.600     1.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11984E-02 ppm1      0.847 ppm2      2.264 CV     1
 ASSI {  572}
   (( segid "SAP" and resid 173  and name HG  ))
   (  segid "SAP" and resid 173  and name HD1%)
      2.000     0.500     0.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.19653E-01 ppm1      0.847 ppm2      1.789 CV     1
 OR {  572}
   (( segid "SAP" and resid 173  and name HB1 ))
   (  segid "SAP" and resid 173  and name HD1%)
 ASSI {  575}
   (( segid "SAP" and resid 177  and name HG1 ))
   (  segid "SAP" and resid 173  and name HD2%)
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.15306E-02 ppm1      0.721 ppm2      2.656 CV     1
 ASSI {  576}
   (( segid "SAP" and resid 177  and name HG2 ))
   (  segid "SAP" and resid 173  and name HD2%)
      3.600     1.600     1.600 peak   576 spectrum    1 weight  0.10000E+01 volume  0.20515E-02 ppm1      0.725 ppm2      2.419 CV     1
 ASSI {  577}
   (( segid "SAP" and resid 177  and name HB1 ))
   (  segid "SAP" and resid 173  and name HD2%)
      2.600     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.37707E-02 ppm1      0.725 ppm2      2.279 CV     1
 ASSI {  578}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 174  and name HA  ))
      2.600     0.800     0.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.57519E-02 ppm1      4.761 ppm2      2.911 CV     1
 ASSI {  580}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 174  and name HB1 ))
      2.100     0.500     0.500 peak   580 spectrum    1 weight  0.10000E+01 volume  0.80525E-02 ppm1      3.272 ppm2      2.911 CV     1
 ASSI {  582}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 175  and name HA  ))
      2.800     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.20452E-02 ppm1      3.740 ppm2      0.813 CV     1
 ASSI {  583}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 176  and name HA  ))
      3.600     1.600     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.13965E-02 ppm1      4.025 ppm2      0.585 CV     1
 ASSI {  585}
   (( segid "SAP" and resid 179  and name HB  ))
   (( segid "SAP" and resid 176  and name HA  ))
      2.600     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      4.025 ppm2      1.927 CV     1
 ASSI {  586}
   (  segid "SAP" and resid 179  and name HG1%)
   (  segid "SAP" and resid 176  and name HB% )
      4.400     2.400     1.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.41541E-03 ppm1      1.509 ppm2      0.585 CV     1
 ASSI {  587}
   (  segid "SAP" and resid 179  and name HG2%)
   (  segid "SAP" and resid 176  and name HB% )
      4.200     2.200     1.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.61034E-03 ppm1      1.512 ppm2      0.494 CV     1
 ASSI {  588}
   (  segid "SAP" and resid 151  and name HD% )
   (  segid "SAP" and resid 176  and name HB% )
      3.900     1.900     1.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.62952E-03 ppm1      1.509 ppm2     -0.885 CV     1
 ASSI {  589}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 176  and name HA  ))
      4.600     2.600     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.16840E-03 ppm1      4.017 ppm2     -0.888 CV     1
 ASSI {  590}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 176  and name HA  ))
      3.000     1.200     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.19493E-02 ppm1      4.026 ppm2     -1.305 CV     1
 ASSI {  591}
   (  segid "SAP" and resid 151  and name HE% )
   (  segid "SAP" and resid 176  and name HB% )
      3.000     1.100     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      1.511 ppm2     -1.303 CV     1
 ASSI {  592}
   (( segid "SAP" and resid 177  and name HB1 ))
   (( segid "SAP" and resid 177  and name HA  ))
      2.600     0.800     0.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      4.083 ppm2      2.275 CV     1
 ASSI {  593}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 177  and name HA  ))
      2.600     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.41222E-02 ppm1      4.081 ppm2      2.143 CV     1
 OR {  593}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 177  and name HA  ))
 ASSI {  596}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 177  and name HG2 ))
      1.800     0.400     0.400 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16137E-01 ppm1      2.409 ppm2      2.649 CV     1
 ASSI {  598}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 177  and name HG1 ))
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.50169E-02 ppm1      2.645 ppm2      1.973 CV     1
 ASSI {  599}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 177  and name HG2 ))
      2.700     0.900     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.31189E-02 ppm1      2.404 ppm2      1.964 CV     1
 ASSI {  604}
   (( segid "SAP" and resid 178  and name HB1 ))
   (( segid "SAP" and resid 178  and name HA  ))
      2.300     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.50808E-02 ppm1      4.047 ppm2      1.769 CV     1
 ASSI {  605}
   (( segid "SAP" and resid 178  and name HG  ))
   (( segid "SAP" and resid 178  and name HA  ))
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      4.046 ppm2      1.566 CV     1
 OR {  605}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 178  and name HA  ))
 ASSI {  606}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 178  and name HA  ))
      4.400     2.400     1.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.72858E-03 ppm1      4.040 ppm2      1.297 CV     1
 ASSI {  608}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 178  and name HB2 ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.88193E-03 ppm1      1.573 ppm2      3.738 CV     1
 ASSI {  611}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 178  and name HD1%)
      3.100     1.200     1.200 peak   611 spectrum    1 weight  0.10000E+01 volume  0.51767E-02 ppm1      0.816 ppm2      4.046 CV     1
 ASSI {  615}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD1%)
      3.300     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.24765E-02 ppm1      0.816 ppm2      2.104 CV     1
 ASSI {  616}
   (( segid "SAP" and resid 159  and name HD1 ))
   (  segid "SAP" and resid 178  and name HD2%)
      3.700     1.700     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.97460E-03 ppm1      0.792 ppm2      3.178 CV     1
 OR {  616}
   (( segid "SAP" and resid 159  and name HD2 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI {  617}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 178  and name HD2%)
      3.200     1.200     1.200 peak   617 spectrum    1 weight  0.10000E+01 volume  0.16105E-02 ppm1      0.793 ppm2      2.921 CV     1
 OR {  617}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 178  and name HD2%)
 ASSI {  618}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 179  and name HA  ))
      2.600     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      3.158 ppm2      1.711 CV     1
 ASSI {  619}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 179  and name HA  ))
      3.400     1.400     1.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.21314E-02 ppm1      3.154 ppm2      0.767 CV     1
 ASSI {  620}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 179  and name HA  ))
      2.300     0.700     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.73177E-02 ppm1      3.157 ppm2      0.621 CV     1
 ASSI {  622}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 179  and name HA  ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.50808E-02 ppm1      3.158 ppm2      0.472 CV     1
 ASSI {  624}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      0.585 ppm2      3.170 CV     1
 ASSI {  625}
   (( segid "SAP" and resid 175  and name HE1 ))
   (  segid "SAP" and resid 179  and name HG1%)
      3.700     1.700     1.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      0.585 ppm2      2.705 CV     1
 ASSI {  627}
   (( segid "SAP" and resid 179  and name HB  ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.200     0.600     0.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.10066E-01 ppm1      0.587 ppm2      1.925 CV     1
 ASSI {  628}
   (( segid "SAP" and resid 176  and name HA  ))
   (  segid "SAP" and resid 179  and name HG2%)
      2.900     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.23359E-02 ppm1      0.481 ppm2      4.017 CV     1
 ASSI {  631}
   (( segid "SAP" and resid 151  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG2%)
      3.500     1.500     1.500 peak   631 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      0.478 ppm2      3.036 CV     1
 ASSI {  634}
   (( segid "SAP" and resid 179  and name HB  ))
   (  segid "SAP" and resid 179  and name HG2%)
      2.200     0.600     0.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.90435E-02 ppm1      0.481 ppm2      1.923 CV     1
 ASSI {  637}
   (( segid "SAP" and resid 197  and name HB1 ))
   (  segid "SAP" and resid 197  and name HD1%)
      2.500     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.56880E-02 ppm1      0.594 ppm2      1.713 CV     1
 ASSI {  638}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "SAP" and resid 179  and name HG2%)
      3.800     3.800     2.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.13996E-02 ppm1      0.484 ppm2      1.232 CV     1
 ASSI {  639}
   (( segid "SAP" and resid 150  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG2%)
      3.100     1.200     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      0.482 ppm2      1.103 CV     1
 ASSI {  640}
   (  segid "SAP" and resid 151  and name HD% )
   (  segid "SAP" and resid 179  and name HG2%)
      3.200     1.300     1.300 peak   640 spectrum    1 weight  0.10000E+01 volume  0.10258E-02 ppm1      0.479 ppm2     -0.888 CV     1
 ASSI {  641}
   (  segid "SAP" and resid 151  and name HE% )
   (  segid "SAP" and resid 179  and name HG2%)
      3.900     1.900     1.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.82767E-03 ppm1      0.479 ppm2     -1.303 CV     1
 ASSI {  642}
   (  segid "SAP" and resid 151  and name HE% )
   (  segid "SAP" and resid 179  and name HG1%)
      4.000     2.000     2.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.83724E-03 ppm1      0.581 ppm2     -1.300 CV     1
 ASSI {  643}
   (  segid "SAP" and resid 151  and name HD% )
   (  segid "SAP" and resid 179  and name HG1%)
      3.100     1.200     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.20387E-02 ppm1      0.587 ppm2     -0.886 CV     1
 ASSI {  645}
   (( segid "SAP" and resid 184  and name HB1 ))
   (( segid "SAP" and resid 181  and name HA  ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      3.846 ppm2      3.092 CV     1
 ASSI {  647}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 181  and name HA  ))
      3.000     1.100     1.100 peak   647 spectrum    1 weight  0.10000E+01 volume  0.18151E-02 ppm1      3.836 ppm2      1.933 CV     1
 ASSI {  650}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 181  and name HB  ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.23934E-02 ppm1      1.929 ppm2      1.289 CV     1
 ASSI {  651}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 181  and name HB  ))
      2.300     0.600     0.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.79890E-02 ppm1      1.926 ppm2      0.966 CV     1
 ASSI {  657}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 181  and name HG2%)
      3.500     1.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.74136E-03 ppm1      0.955 ppm2      2.940 CV     1
 OR {  657}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 181  and name HG2%)
 ASSI {  659}
   (( segid "SAP" and resid 181  and name HG11))
   (  segid "SAP" and resid 181  and name HG2%)
      3.200     1.300     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.34831E-02 ppm1      0.954 ppm2      1.734 CV     1
 ASSI {  661}
   (( segid "SAP" and resid 169  and name HA  ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.400     1.400     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      0.873 ppm2      4.495 CV     1
 ASSI {  662}
   (( segid "SAP" and resid 169  and name HB  ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.15882E-02 ppm1      0.875 ppm2      4.156 CV     1
 ASSI {  663}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 181  and name HD1%)
      2.700     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.31572E-02 ppm1      0.873 ppm2      4.042 CV     1
 ASSI {  664}
   (( segid "SAP" and resid 181  and name HA  ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.600     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.23711E-02 ppm1      0.876 ppm2      3.851 CV     1
 ASSI {  665}
   (( segid "SAP" and resid 162  and name HE2 ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.200     1.300     1.300 peak   665 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      0.875 ppm2      2.945 CV     1
 OR {  665}
   (( segid "SAP" and resid 162  and name HE1 ))
   (  segid "SAP" and resid 181  and name HD1%)
 ASSI {  668}
   (( segid "SAP" and resid 181  and name HB  ))
   (  segid "SAP" and resid 181  and name HD1%)
      2.300     0.600     0.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.94904E-02 ppm1      0.875 ppm2      1.938 CV     1
 ASSI {  669}
   (( segid "SAP" and resid 181  and name HG11))
   (  segid "SAP" and resid 181  and name HD1%)
      2.000     0.500     0.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14923E-01 ppm1      0.874 ppm2      1.741 CV     1
 ASSI {  670}
   (( segid "SAP" and resid 181  and name HG12))
   (  segid "SAP" and resid 181  and name HD1%)
      2.100     0.600     0.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12143E-01 ppm1      0.875 ppm2      1.303 CV     1
 ASSI {  672}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 182  and name HA  ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.12974E-02 ppm1      3.315 ppm2      1.705 CV     1
 ASSI {  673}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 182  and name HA  ))
      2.900     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.25628E-02 ppm1      3.315 ppm2      0.869 CV     1
 ASSI {  674}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 182  and name HA  ))
      3.300     1.400     1.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.98103E-03 ppm1      3.307 ppm2      0.961 CV     1
 ASSI {  676}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "SAP" and resid 182  and name HG1%)
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      0.758 ppm2     -1.279 CV     1
 ASSI {  677}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
      2.600     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.33872E-02 ppm1     -0.194 ppm2      3.328 CV     1
 ASSI {  678}
   (( segid "SAP" and resid 158  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
      3.300     1.400     1.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1     -0.194 ppm2      3.914 CV     1
 ASSI {  680}
   (( segid "SAP" and resid 178  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
      3.700     1.700     1.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.55922E-03 ppm1     -0.194 ppm2      4.047 CV     1
 ASSI {  681}
   (( segid "SAP" and resid 182  and name HB  ))
   (  segid "SAP" and resid 182  and name HG2%)
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.74778E-02 ppm1     -0.194 ppm2      1.711 CV     1
 ASSI {  683}
   (  segid "SAP" and resid 182  and name HG1%)
   (  segid "SAP" and resid 182  and name HG2%)
      2.200     0.600     0.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.10833E-01 ppm1     -0.193 ppm2      0.758 CV     1
 ASSI {  684}
   (  segid "SAP" and resid 158  and name HD2%)
   (  segid "SAP" and resid 182  and name HG2%)
      2.300     0.700     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.66466E-02 ppm1     -0.193 ppm2      0.631 CV     1
 ASSI {  690}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 184  and name HA  ))
      4.600     2.600     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.17384E-03 ppm1      4.125 ppm2      1.887 CV     1
 OR {  690}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 184  and name HA  ))
 ASSI {  691}
   (( segid "SAP" and resid 187  and name HG1 ))
   (( segid "SAP" and resid 184  and name HA  ))
      3.200     1.300     1.300 peak   691 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      4.127 ppm2      1.704 CV     1
 OR {  691}
   (( segid "SAP" and resid 187  and name HD2 ))
   (( segid "SAP" and resid 184  and name HA  ))
 OR {  691}
   (( segid "SAP" and resid 187  and name HD1 ))
   (( segid "SAP" and resid 184  and name HA  ))
 OR {  691}
   (( segid "SAP" and resid 187  and name HG2 ))
   (( segid "SAP" and resid 184  and name HA  ))
 ASSI {  693}
   (( segid "SAP" and resid 181  and name HA  ))
   (( segid "SAP" and resid 184  and name HB2 ))
      3.000     1.100     1.100 peak   693 spectrum    1 weight  0.10000E+01 volume  0.20259E-02 ppm1      2.982 ppm2      3.851 CV     1
 ASSI {  694}
   (( segid "SAP" and resid 185  and name HB2 ))
   (( segid "SAP" and resid 185  and name HA  ))
      2.600     0.800     0.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.39944E-02 ppm1      4.041 ppm2      3.197 CV     1
 ASSI {  695}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 186  and name HA  ))
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      4.039 ppm2      2.986 CV     1
 ASSI {  696}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 186  and name HA  ))
      2.500     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.42180E-02 ppm1      4.046 ppm2      0.692 CV     1
 ASSI {  698}
   (( segid "SAP" and resid 185  and name HA  ))
   (( segid "SAP" and resid 185  and name HB1 ))
      4.000     2.000     2.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.51767E-03 ppm1      3.333 ppm2      4.043 CV     1
 ASSI {  700}
   (( segid "SAP" and resid 189  and name HG11))
   (( segid "SAP" and resid 186  and name HA  ))
      3.300     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.61034E-03 ppm1      4.051 ppm2      1.503 CV     1
 ASSI {  701}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 186  and name HB1 ))
      3.300     1.400     1.400 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11472E-02 ppm1      3.358 ppm2      4.055 CV     1
 ASSI {  703}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HB1 ))
      3.200     1.300     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.84359E-03 ppm1      3.355 ppm2     -0.768 CV     1
 ASSI {  704}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 187  and name HA  ))
      2.500     0.800     0.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.59117E-02 ppm1      3.878 ppm2      1.881 CV     1
 OR {  704}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 187  and name HA  ))
 ASSI {  705}
   (( segid "SAP" and resid 187  and name HG2 ))
   (( segid "SAP" and resid 187  and name HA  ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      3.880 ppm2      1.693 CV     1
 OR {  705}
   (( segid "SAP" and resid 187  and name HG1 ))
   (( segid "SAP" and resid 187  and name HA  ))
 ASSI {  706}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 187  and name HA  ))
      3.800     1.800     1.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.59756E-03 ppm1      3.876 ppm2     -0.775 CV     1
 ASSI {  707}
   (( segid "SAP" and resid 187  and name HE2 ))
   (( segid "SAP" and resid 187  and name HG2 ))
      3.100     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.19716E-02 ppm1      1.682 ppm2      3.020 CV     1
 OR {  707}
   (( segid "SAP" and resid 187  and name HE2 ))
   (( segid "SAP" and resid 187  and name HG1 ))
 OR {  707}
   (( segid "SAP" and resid 187  and name HE1 ))
   (( segid "SAP" and resid 187  and name HG2 ))
 OR {  707}
   (( segid "SAP" and resid 187  and name HE1 ))
   (( segid "SAP" and resid 187  and name HG1 ))
 ASSI {  708}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 187  and name HG2 ))
      2.100     0.500     0.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.16776E-01 ppm1      1.684 ppm2      1.898 CV     1
 OR {  708}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 187  and name HG1 ))
 OR {  708}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 187  and name HG2 ))
 OR {  708}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 187  and name HG1 ))
 ASSI {  710}
   (( segid "SAP" and resid 187  and name HE1 ))
   (( segid "SAP" and resid 187  and name HD1 ))
      2.400     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.65189E-02 ppm1      1.741 ppm2      3.019 CV     1
 OR {  710}
   (( segid "SAP" and resid 187  and name HE2 ))
   (( segid "SAP" and resid 187  and name HD2 ))
 OR {  710}
   (( segid "SAP" and resid 187  and name HE1 ))
   (( segid "SAP" and resid 187  and name HD2 ))
 OR {  710}
   (( segid "SAP" and resid 187  and name HE2 ))
   (( segid "SAP" and resid 187  and name HD1 ))
 ASSI {  711}
   (( segid "SAP" and resid 188  and name HB1 ))
   (( segid "SAP" and resid 188  and name HA  ))
      2.400     0.700     0.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.73177E-02 ppm1      4.359 ppm2      3.861 CV     1
 ASSI {  712}
   (( segid "SAP" and resid 188  and name HB2 ))
   (( segid "SAP" and resid 188  and name HA  ))
      2.600     0.800     0.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.56880E-02 ppm1      4.360 ppm2      3.733 CV     1
 ASSI {  713}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 189  and name HB  ))
      2.200     0.600     0.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.89157E-02 ppm1      1.227 ppm2      0.704 CV     1
 OR {  713}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 189  and name HB  ))
 ASSI {  717}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 189  and name HG11))
      2.700     0.900     0.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.32274E-02 ppm1      1.506 ppm2      0.686 CV     1
 OR {  717}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 189  and name HG11))
 ASSI {  718}
   (( segid "SAP" and resid 213  and name HG  ))
   (  segid "SAP" and resid 213  and name HD2%)
      2.600     0.800     0.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.48572E-02 ppm1      0.817 ppm2      1.569 CV     1
 OR {  718}
   (( segid "SAP" and resid 213  and name HB2 ))
   (  segid "SAP" and resid 213  and name HD2%)
 OR {  718}
   (( segid "SAP" and resid 213  and name HB1 ))
   (  segid "SAP" and resid 213  and name HD2%)
 ASSI {  719}
   (( segid "SAP" and resid 191  and name HA  ))
   (  segid "SAP" and resid 189  and name HG2%)
      3.500     1.500     1.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.80847E-03 ppm1      0.716 ppm2      3.965 CV     1
 ASSI {  721}
   (( segid "SAP" and resid 189  and name HA  ))
   (  segid "SAP" and resid 189  and name HG2%)
      2.800     1.000     1.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.27450E-02 ppm1      0.716 ppm2      3.745 CV     1
 ASSI {  722}
   (( segid "SAP" and resid 191  and name HB  ))
   (( segid "SAP" and resid 191  and name HA  ))
      2.800     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.24254E-02 ppm1      3.972 ppm2      1.794 CV     1
 ASSI {  725}
   (( segid "SAP" and resid 189  and name HG11))
   (  segid "SAP" and resid 189  and name HG2%)
      3.700     1.700     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.15977E-02 ppm1      0.716 ppm2      1.499 CV     1
 ASSI {  727}
   (( segid "SAP" and resid 189  and name HB  ))
   (  segid "SAP" and resid 189  and name HG2%)
      2.500     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.43139E-02 ppm1      0.717 ppm2      1.227 CV     1
 ASSI {  728}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 189  and name HD1%)
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12526E-02 ppm1      0.684 ppm2     -0.873 CV     1
 ASSI {  729}
   (( segid "SAP" and resid 189  and name HG12))
   (  segid "SAP" and resid 189  and name HD1%)
      2.400     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.58477E-02 ppm1      0.682 ppm2      0.438 CV     1
 ASSI {  730}
   (( segid "SAP" and resid 189  and name HG12))
   (  segid "SAP" and resid 189  and name HG2%)
      2.600     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.31348E-02 ppm1      0.717 ppm2      0.441 CV     1
 ASSI {  732}
   (( segid "SAP" and resid 189  and name HB  ))
   (  segid "SAP" and resid 189  and name HD1%)
      2.700     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.32274E-02 ppm1      0.683 ppm2      1.222 CV     1
 ASSI {  734}
   (( segid "SAP" and resid 217  and name HA  ))
   (( segid "SAP" and resid 217  and name HB2 ))
      2.900     1.100     1.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      3.922 ppm2      4.394 CV     1
 OR {  734}
   (( segid "SAP" and resid 217  and name HA  ))
   (( segid "SAP" and resid 217  and name HB1 ))
 ASSI {  737}
   (( segid "SAP" and resid 189  and name HG11))
   (  segid "SAP" and resid 189  and name HD1%)
      2.400     0.700     0.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.53365E-02 ppm1      0.684 ppm2      1.507 CV     1
 ASSI {  738}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 200  and name HA  ))
      3.300     1.400     1.400 peak   738 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      4.985 ppm2      3.638 CV     1
 ASSI {  742}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 141  and name HB2 ))
      2.100     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.17000E-01 ppm1      1.936 ppm2      2.314 CV     1
 OR {  742}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 141  and name HB2 ))
 ASSI {  743}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 141  and name HG2 ))
      2.000     0.500     0.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.19972E-01 ppm1      2.316 ppm2      2.063 CV     1
 OR {  743}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 141  and name HG1 ))
 ASSI {  751}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 148  and name HG1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.61354E-02 ppm1      0.971 ppm2     -0.877 CV     1
 ASSI {  761}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 148  and name HG2%)
      3.200     1.300     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.16457E-02 ppm1      0.665 ppm2     -0.882 CV     1
 ASSI {  762}
   (( segid "SAP" and resid 186  and name HZ  ))
   (  segid "SAP" and resid 148  and name HG2%)
      3.600     1.600     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.75414E-03 ppm1      0.667 ppm2     -0.519 CV     1
 ASSI {  773}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 150  and name HD1%)
      3.700     1.800     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.54324E-03 ppm1      0.441 ppm2     -0.772 CV     1
 ASSI {  774}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 150  and name HD1%)
      4.300     2.300     1.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.13708E-03 ppm1      0.439 ppm2     -0.868 CV     1
 ASSI {  776}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "SAP" and resid 150  and name HD2%)
      4.500     2.600     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.14220E-03 ppm1      0.193 ppm2     -0.864 CV     1
 ASSI {  782}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 151  and name HB1 ))
      2.600     0.800     0.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.40583E-02 ppm1      3.195 ppm2     -0.887 CV     1
 ASSI {  783}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 151  and name HB2 ))
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.34831E-02 ppm1      3.036 ppm2     -0.887 CV     1
 ASSI {  784}
   (( segid "SAP" and resid 152  and name HB1 ))
   (( segid "SAP" and resid 152  and name HA  ))
      2.400     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      4.079 ppm2      2.112 CV     1
 ASSI {  790}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "SAP" and resid 157  and name HG2%)
      2.400     0.700     0.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.64869E-02 ppm1      1.443 ppm2      0.891 CV     1
 ASSI {  792}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "SAP" and resid 157  and name HG2%)
      2.200     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.85002E-02 ppm1      1.444 ppm2      0.779 CV     1
 ASSI {  793}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 158  and name HA  ))
      2.400     0.700     0.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.62632E-02 ppm1      3.925 ppm2      0.649 CV     1
 ASSI {  794}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HD1 ))
      3.400     1.500     1.500 peak   794 spectrum    1 weight  0.10000E+01 volume  0.14827E-02 ppm1      3.491 ppm2      2.234 CV     1
 ASSI {  795}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 160  and name HD1 ))
      3.400     1.500     1.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.14923E-02 ppm1      3.488 ppm2      2.112 CV     1
 ASSI {  796}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 160  and name HD1 ))
      2.600     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.42180E-02 ppm1      3.488 ppm2      1.880 CV     1
 ASSI {  797}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 160  and name HD1 ))
      2.500     0.800     0.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      3.488 ppm2      1.556 CV     1
 ASSI {  798}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HD2 ))
      2.900     1.000     1.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.21282E-02 ppm1      3.425 ppm2      2.228 CV     1
 ASSI {  799}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 160  and name HD2 ))
      2.800     1.000     1.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      3.431 ppm2      2.111 CV     1
 ASSI {  800}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 160  and name HD2 ))
      2.700     0.900     0.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.43778E-02 ppm1      3.423 ppm2      1.880 CV     1
 ASSI {  801}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 160  and name HD2 ))
      2.600     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      3.429 ppm2      1.555 CV     1
 ASSI {  807}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HA  ))
      3.700     1.700     1.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.79890E-03 ppm1      4.167 ppm2      3.219 CV     1
 ASSI {  810}
   (( segid "SAP" and resid 164  and name HA  ))
   (( segid "SAP" and resid 164  and name HB1 ))
      3.600     1.600     1.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.76370E-03 ppm1      2.947 ppm2      3.954 CV     1
 ASSI {  814}
   (( segid "SAP" and resid 166  and name HB1 ))
   (( segid "SAP" and resid 166  and name HA  ))
      2.500     0.800     0.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.34831E-02 ppm1      3.841 ppm2      2.022 CV     1
 ASSI {  815}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 166  and name HA  ))
      2.700     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.53045E-02 ppm1      3.840 ppm2      1.796 CV     1
 ASSI {  818}
   (( segid "SAP" and resid 166  and name HG1 ))
   (( segid "SAP" and resid 166  and name HA  ))
      2.500     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.81803E-02 ppm1      3.842 ppm2      1.269 CV     1
 OR {  818}
   (( segid "SAP" and resid 166  and name HG2 ))
   (( segid "SAP" and resid 166  and name HA  ))
 ASSI {  819}
   (( segid "SAP" and resid 167  and name HB2 ))
   (( segid "SAP" and resid 167  and name HA  ))
      3.200     1.300     1.300 peak   819 spectrum    1 weight  0.10000E+01 volume  0.15211E-02 ppm1      4.541 ppm2      1.382 CV     1
 ASSI {  820}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 167  and name HB1 ))
      3.800     1.800     1.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.31955E-03 ppm1      1.631 ppm2      4.542 CV     1
 ASSI {  821}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 173  and name HB1 ))
      2.900     1.100     1.100 peak   821 spectrum    1 weight  0.10000E+01 volume  0.15498E-02 ppm1      1.751 ppm2      4.303 CV     1
 ASSI {  826}
   (( segid "SAP" and resid 177  and name HA  ))
   (( segid "SAP" and resid 177  and name HG2 ))
      2.800     1.000     1.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.26235E-02 ppm1      2.400 ppm2      4.087 CV     1
 ASSI {  828}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 178  and name HB2 ))
      3.200     1.300     1.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.14220E-02 ppm1      1.577 ppm2      4.050 CV     1
 ASSI {  835}
   (( segid "SAP" and resid 183  and name HA1 ))
   (( segid "SAP" and resid 183  and name HA2 ))
      2.300     0.600     0.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.40902E-02 ppm1      3.583 ppm2      3.917 CV     1
 ASSI {  849}
   (( segid "SAP" and resid 190  and name HB1 ))
   (( segid "SAP" and resid 190  and name HA  ))
      2.300     0.600     0.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.76691E-02 ppm1      4.506 ppm2      2.123 CV     1
 ASSI {  850}
   (( segid "SAP" and resid 190  and name HB2 ))
   (( segid "SAP" and resid 190  and name HA  ))
      2.900     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      4.503 ppm2      1.824 CV     1
 ASSI {  851}
   (( segid "SAP" and resid 190  and name HG2 ))
   (( segid "SAP" and resid 190  and name HA  ))
      3.800     1.800     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      4.504 ppm2      1.946 CV     1
 OR {  851}
   (( segid "SAP" and resid 190  and name HG1 ))
   (( segid "SAP" and resid 190  and name HA  ))
 ASSI {  868}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 193  and name HG2 ))
      3.800     1.800     1.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.64550E-03 ppm1      2.070 ppm2      3.525 CV     1
 ASSI {  870}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HG2 ))
      3.000     1.100     1.100 peak   870 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      1.410 ppm2      3.945 CV     1
 ASSI {  871}
   (( segid "SAP" and resid 195  and name HB1 ))
   (( segid "SAP" and resid 195  and name HA  ))
      2.600     0.900     0.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.59117E-02 ppm1      4.363 ppm2      2.641 CV     1
 ASSI {  872}
   (( segid "SAP" and resid 195  and name HB2 ))
   (( segid "SAP" and resid 195  and name HA  ))
      2.600     0.800     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.42500E-02 ppm1      4.362 ppm2      2.513 CV     1
 ASSI {  894}
   (  segid "SAP" and resid 202  and name HD% )
   (  segid "SAP" and resid 198  and name HG2%)
      3.300     1.400     1.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.11599E-02 ppm1      1.245 ppm2     -0.829 CV     1
 ASSI {  896}
   (( segid "SAP" and resid 199  and name HA  ))
   (( segid "SAP" and resid 199  and name HB1 ))
      2.600     0.800     0.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.48572E-02 ppm1      3.154 ppm2      4.211 CV     1
 ASSI {  897}
   (( segid "SAP" and resid 200  and name HB2 ))
   (( segid "SAP" and resid 200  and name HA  ))
      3.400     1.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.56561E-03 ppm1      4.984 ppm2      3.278 CV     1
 ASSI {  901}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 201  and name HD1%)
      4.300     2.300     1.700 peak   901 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      1.039 ppm2     -0.334 CV     1
 ASSI {  918}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 204  and name HA  ))
      2.600     0.800     0.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.48891E-02 ppm1      3.566 ppm2     -0.027 CV     1
 ASSI {  921}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 204  and name HG1%)
      4.000     2.000     2.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.84680E-03 ppm1      0.313 ppm2     -0.336 CV     1
 ASSI {  922}
   (  segid "SAP" and resid 204  and name HG2%)
   (  segid "SAP" and resid 204  and name HG1%)
      2.300     0.600     0.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.10673E-01 ppm1      0.315 ppm2     -0.028 CV     1
 ASSI {  929}
   (( segid "SAP" and resid 205  and name HD2 ))
   (( segid "SAP" and resid 205  and name HB2 ))
      2.700     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      1.814 ppm2      3.125 CV     1
 OR {  929}
   (( segid "SAP" and resid 205  and name HD2 ))
   (( segid "SAP" and resid 205  and name HB1 ))
 OR {  929}
   (( segid "SAP" and resid 205  and name HD1 ))
   (( segid "SAP" and resid 205  and name HB2 ))
 OR {  929}
   (( segid "SAP" and resid 205  and name HD1 ))
   (( segid "SAP" and resid 205  and name HB1 ))
 ASSI {  932}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HG1 ))
      3.000     1.200     1.200 peak   932 spectrum    1 weight  0.10000E+01 volume  0.20931E-02 ppm1      1.423 ppm2      4.177 CV     1
 ASSI {  933}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HG2 ))
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.23167E-02 ppm1      1.361 ppm2      4.178 CV     1
 ASSI {  935}
   (( segid "SAP" and resid 211  and name HB2 ))
   (( segid "SAP" and resid 211  and name HA  ))
      2.500     0.800     0.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.66466E-02 ppm1      4.388 ppm2      3.843 CV     1
 OR {  935}
   (( segid "SAP" and resid 211  and name HB1 ))
   (( segid "SAP" and resid 211  and name HA  ))
 ASSI {  937}
   (( segid "SAP" and resid 219  and name HA  ))
   (  segid "SAP" and resid 219  and name HG1%)
      4.100     2.100     1.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.37388E-03 ppm1      0.850 ppm2      4.040 CV     1
 ASSI {  938}
   (( segid "SAP" and resid 219  and name HA  ))
   (  segid "SAP" and resid 219  and name HG2%)
      4.300     2.300     1.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.28823E-03 ppm1      0.831 ppm2      4.047 CV     1
 ASSI {  939}
   (( segid "SAP" and resid 201  and name HB  ))
   (  segid "SAP" and resid 201  and name HG2%)
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.29334E-02 ppm1      1.030 ppm2      2.033 CV     1
 ASSI {  941}
   (( segid "SAP" and resid 171  and name HD2 ))
   (( segid "SAP" and resid 170  and name HB1 ))
      3.000     1.200     1.200 peak   941 spectrum    1 weight  0.10000E+01 volume  0.17639E-02 ppm1      1.876 ppm2      3.615 CV     1
 ASSI {  942}
   (( segid "SAP" and resid 171  and name HD1 ))
   (( segid "SAP" and resid 170  and name HB1 ))
      4.000     2.000     2.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.10258E-02 ppm1      1.870 ppm2      3.784 CV     1
 ASSI {  947}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 162  and name HD1 ))
      2.700     0.900     0.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.24957E-02 ppm1      1.673 ppm2      2.927 CV     1
 OR {  947}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 162  and name HD1 ))
 ASSI {  948}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 162  and name HD2 ))
      2.900     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.19556E-02 ppm1      1.587 ppm2      2.928 CV     1
 OR {  948}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 162  and name HD2 ))
 ASSI {  953}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 162  and name HD2 ))
      3.800     1.800     1.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      1.581 ppm2      1.072 CV     1
 ASSI {  954}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 162  and name HD1 ))
      3.300     1.400     1.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.14348E-02 ppm1      1.679 ppm2      1.071 CV     1
 ASSI {  956}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 162  and name HD2 ))
      2.500     0.800     0.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.46655E-02 ppm1      1.591 ppm2      0.805 CV     1
 ASSI {  957}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HD1 ))
      3.000     1.100     1.100 peak   957 spectrum    1 weight  0.10000E+01 volume  0.17447E-02 ppm1      1.675 ppm2      2.106 CV     1
 OR {  957}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HD1 ))
 ASSI {  958}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HD2 ))
      3.000     1.200     1.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.25404E-02 ppm1      1.588 ppm2      2.106 CV     1
 OR {  958}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HD2 ))
 ASSI {  959}
   (( segid "SAP" and resid 162  and name HG2 ))
   (( segid "SAP" and resid 162  and name HD2 ))
      2.300     0.700     0.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.60715E-02 ppm1      1.588 ppm2      1.489 CV     1
 ASSI {  960}
   (( segid "SAP" and resid 162  and name HG2 ))
   (( segid "SAP" and resid 162  and name HD1 ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.57838E-02 ppm1      1.673 ppm2      1.490 CV     1
 ASSI {  962}
   (( segid "SAP" and resid 201  and name HB  ))
   (( segid "SAP" and resid 201  and name HG12))
      3.800     1.800     1.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.60075E-03 ppm1      1.345 ppm2      2.025 CV     1
 ASSI {  963}
   (( segid "SAP" and resid 194  and name HB2 ))
   (( segid "SAP" and resid 195  and name HA  ))
      3.900     1.900     1.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.69982E-03 ppm1      4.363 ppm2      1.855 CV     1
 OR {  963}
   (( segid "SAP" and resid 194  and name HB1 ))
   (( segid "SAP" and resid 195  and name HA  ))
 ASSI {  964}
   (( segid "SAP" and resid 155  and name HB  ))
   (  segid "SAP" and resid 155  and name HG2%)
      2.200     0.600     0.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.11216E-01 ppm1      0.952 ppm2      2.081 CV     1
 ASSI {  965}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 168  and name HD1 ))
      4.000     2.000     2.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      4.020 ppm2      0.779 CV     1
 ASSI {  967}
   (( segid "SAP" and resid 190  and name HG2 ))
   (( segid "SAP" and resid 190  and name HD1 ))
      3.000     1.100     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      4.033 ppm2      1.942 CV     1
 OR {  967}
   (( segid "SAP" and resid 190  and name HG1 ))
   (( segid "SAP" and resid 190  and name HD1 ))
 ASSI {  970}
   (( segid "SAP" and resid 171  and name HG1 ))
   (( segid "SAP" and resid 171  and name HD2 ))
      2.500     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      3.611 ppm2      2.020 CV     1
 OR {  970}
   (( segid "SAP" and resid 171  and name HG2 ))
   (( segid "SAP" and resid 171  and name HD2 ))
 ASSI {  974}
   (( segid "SAP" and resid 170  and name HB2 ))
   (( segid "SAP" and resid 171  and name HD1 ))
      3.700     1.700     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.14923E-02 ppm1      3.774 ppm2      1.679 CV     1
 ASSI {  975}
   (( segid "SAP" and resid 167  and name HB1 ))
   (( segid "SAP" and resid 168  and name HD2 ))
      2.800     1.000     1.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.25532E-02 ppm1      3.653 ppm2      1.644 CV     1
 ASSI {  976}
   (( segid "SAP" and resid 170  and name HB2 ))
   (( segid "SAP" and resid 171  and name HD2 ))
      2.700     0.900     0.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1      3.612 ppm2      1.683 CV     1
 ASSI {  977}
   (( segid "SAP" and resid 168  and name HG1 ))
   (( segid "SAP" and resid 168  and name HD2 ))
      3.000     1.100     1.100 peak   977 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      3.668 ppm2      2.144 CV     1
 ASSI {  980}
   (( segid "SAP" and resid 191  and name HA  ))
   (  segid "SAP" and resid 191  and name HG2%)
      2.400     0.700     0.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.73816E-02 ppm1      0.670 ppm2      3.991 CV     1
 ASSI {  982}
   (( segid "SAP" and resid 165  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.800     1.000     1.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.29207E-02 ppm1      0.775 ppm2      2.901 CV     1
 ASSI {  985}
   (( segid "SAP" and resid 167  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.900     1.100     1.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.60395E-02 ppm1      0.776 ppm2      1.393 CV     1
 ASSI {  986}
   (( segid "SAP" and resid 167  and name HG  ))
   (  segid "SAP" and resid 167  and name HD2%)
      2.100     0.500     0.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.14156E-01 ppm1      0.773 ppm2      1.615 CV     1
 OR {  986}
   (( segid "SAP" and resid 167  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD2%)
 ASSI {  989}
   (( segid "SAP" and resid 173  and name HG  ))
   (  segid "SAP" and resid 173  and name HD2%)
      2.100     0.500     0.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.13294E-01 ppm1      0.723 ppm2      1.817 CV     1
 ASSI {  991}
   (( segid "SAP" and resid 153  and name HB2 ))
   (  segid "SAP" and resid 153  and name HD1%)
      2.500     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.53365E-02 ppm1      0.885 ppm2      1.205 CV     1
 ASSI {  992}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "SAP" and resid 153  and name HD1%)
      1.900     0.400     0.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.27865E-01 ppm1      0.885 ppm2      0.751 CV     1
 ASSI {  994}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 182  and name HG1%)
      3.700     1.700     1.700 peak   994 spectrum    1 weight  0.10000E+01 volume  0.59756E-03 ppm1      0.755 ppm2      0.198 CV     1
 ASSI {  995}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "SAP" and resid 182  and name HG1%)
      2.600     0.800     0.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      0.757 ppm2      0.459 CV     1
 ASSI {  998}
   (( segid "SAP" and resid 185  and name HE1 ))
   (  segid "SAP" and resid 189  and name HD1%)
      3.400     1.400     1.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.23104E-02 ppm1      0.682 ppm2      5.539 CV     1
 ASSI { 1000}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 162  and name HG1 ))
      3.200     1.300     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.20963E-02 ppm1      1.740 ppm2      2.927 CV     1
 OR { 1000}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 162  and name HG1 ))
 ASSI { 1001}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HG1 ))
      2.900     1.100     1.100 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.18885E-02 ppm1      1.741 ppm2      2.119 CV     1
 OR { 1001}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HG1 ))
 ASSI { 1003}
   (( segid "SAP" and resid 175  and name HB2 ))
   (( segid "SAP" and resid 175  and name HA  ))
      2.300     0.700     0.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.71260E-02 ppm1      3.741 ppm2      1.818 CV     1
 OR { 1003}
   (( segid "SAP" and resid 175  and name HB1 ))
   (( segid "SAP" and resid 175  and name HA  ))
 ASSI { 1004}
   (( segid "SAP" and resid 175  and name HD2 ))
   (( segid "SAP" and resid 175  and name HA  ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.51448E-02 ppm1      3.743 ppm2      1.557 CV     1
 OR { 1004}
   (( segid "SAP" and resid 175  and name HD1 ))
   (( segid "SAP" and resid 175  and name HA  ))
 ASSI { 1005}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 175  and name HA  ))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.22880E-02 ppm1      3.744 ppm2      1.180 CV     1
 ASSI { 1007}
   (( segid "SAP" and resid 175  and name HE2 ))
   (( segid "SAP" and resid 175  and name HD2 ))
      2.600     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.36749E-02 ppm1      1.559 ppm2      2.528 CV     1
 OR { 1007}
   (( segid "SAP" and resid 175  and name HE2 ))
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1008}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 175  and name HD2 ))
      2.500     0.800     0.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.45057E-02 ppm1      1.560 ppm2      1.167 CV     1
 OR { 1008}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1011}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 168  and name HA  ))
      4.000     2.000     2.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.47294E-03 ppm1      4.500 ppm2      1.069 CV     1
 ASSI { 1013}
   (( segid "SAP" and resid 168  and name HD2 ))
   (( segid "SAP" and resid 168  and name HB2 ))
      3.700     1.700     1.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      1.936 ppm2      3.667 CV     1
 ASSI { 1014}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 168  and name HB1 ))
      3.400     1.400     1.400 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.12270E-02 ppm1      2.171 ppm2      4.015 CV     1
 ASSI { 1016}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 168  and name HD2 ))
      2.400     0.700     0.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.68703E-02 ppm1      3.670 ppm2      4.530 CV     1
 ASSI { 1017}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 168  and name HD2 ))
      1.900     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.12175E-01 ppm1      3.672 ppm2      4.019 CV     1
 ASSI { 1020}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 168  and name HG2 ))
      3.000     1.100     1.100 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      2.043 ppm2      4.022 CV     1
 ASSI { 1021}
   (( segid "SAP" and resid 168  and name HG2 ))
   (( segid "SAP" and resid 167  and name HA  ))
      4.600     2.600     1.400 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.50808E-03 ppm1      4.534 ppm2      2.037 CV     1
 ASSI { 1022}
   (( segid "SAP" and resid 168  and name HB2 ))
   (( segid "SAP" and resid 167  and name HA  ))
      5.100     3.300     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      4.540 ppm2      1.937 CV     1
 ASSI { 1023}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 151  and name HB2 ))
      5.100     3.200     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.25692E-03 ppm1      3.039 ppm2     -1.312 CV     1
 ASSI { 1024}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 179  and name HB  ))
      4.800     2.900     1.200 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.18151E-03 ppm1      1.926 ppm2     -0.894 CV     1
 ASSI { 1027}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 175  and name HD2 ))
      5.000     3.100     1.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.21730E-03 ppm1      1.551 ppm2     -1.296 CV     1
 OR { 1027}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1028}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HD2 ))
      4.200     2.200     1.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.50489E-03 ppm1      1.552 ppm2     -0.888 CV     1
 OR { 1028}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1035}
   (( segid "SAP" and resid 201  and name HG11))
   (  segid "SAP" and resid 201  and name HG2%)
      3.900     1.900     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.10577E-02 ppm1      1.027 ppm2      2.190 CV     1
 ASSI { 1037}
   (( segid "SAP" and resid 201  and name HG12))
   (  segid "SAP" and resid 201  and name HG2%)
      3.100     1.200     1.200 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      1.023 ppm2      1.341 CV     1
 ASSI { 1039}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 183  and name HA1 ))
      4.400     2.400     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.98103E-03 ppm1      3.916 ppm2      3.013 CV     1
 ASSI { 1040}
   (  segid "SAP" and resid 182  and name HG2%)
   (( segid "SAP" and resid 183  and name HA1 ))
      5.500     3.800     0.500 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.21282E-03 ppm1      3.924 ppm2     -0.202 CV     1
 ASSI { 1041}
   (( segid "SAP" and resid 185  and name HE1 ))
   (  segid "SAP" and resid 189  and name HG2%)
      4.400     2.400     1.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.32594E-03 ppm1      0.713 ppm2      5.535 CV     1
 ASSI { 1045}
   (( segid "SAP" and resid 177  and name HB1 ))
   (  segid "SAP" and resid 181  and name HD1%)
      3.300     1.400     1.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.71260E-03 ppm1      0.876 ppm2      2.281 CV     1
 ASSI { 1046}
   (( segid "SAP" and resid 173  and name HA  ))
   (  segid "SAP" and resid 181  and name HD1%)
      4.500     2.600     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.48572E-03 ppm1      0.865 ppm2      4.302 CV     1
 ASSI { 1048}
   (  segid "SAP" and resid 169  and name HG2%)
   (  segid "SAP" and resid 181  and name HD1%)
      2.200     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.12558E-01 ppm1      0.877 ppm2      1.060 CV     1
 ASSI { 1049}
   (( segid "SAP" and resid 201  and name HG11))
   (  segid "SAP" and resid 201  and name HD1%)
      2.200     0.600     0.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.79890E-02 ppm1      1.038 ppm2      2.206 CV     1
 ASSI { 1050}
   (( segid "SAP" and resid 201  and name HB  ))
   (  segid "SAP" and resid 201  and name HD1%)
      2.300     0.700     0.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.74778E-02 ppm1      1.039 ppm2      2.034 CV     1
 ASSI { 1051}
   (( segid "SAP" and resid 197  and name HB1 ))
   (  segid "SAP" and resid 201  and name HD1%)
      3.000     1.200     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.11472E-02 ppm1      1.038 ppm2      1.699 CV     1
 ASSI { 1052}
   (( segid "SAP" and resid 170  and name HA  ))
   (( segid "SAP" and resid 170  and name HD1 ))
      3.600     1.600     1.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.13868E-02 ppm1      3.171 ppm2      4.676 CV     1
 OR { 1052}
   (( segid "SAP" and resid 170  and name HA  ))
   (( segid "SAP" and resid 170  and name HD2 ))
 ASSI { 1053}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 170  and name HD2 ))
      2.800     2.800     3.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      3.170 ppm2      0.724 CV     1
 OR { 1053}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 170  and name HD1 ))
 ASSI { 1054}
   (( segid "SAP" and resid 171  and name HD2 ))
   (( segid "SAP" and resid 170  and name HA  ))
      2.600     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.58477E-02 ppm1      4.673 ppm2      3.608 CV     1
 ASSI { 1055}
   (( segid "SAP" and resid 171  and name HD1 ))
   (( segid "SAP" and resid 170  and name HA  ))
      2.100     0.600     0.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.96182E-02 ppm1      4.673 ppm2      3.781 CV     1
 ASSI { 1057}
   (( segid "SAP" and resid 170  and name HB2 ))
   (( segid "SAP" and resid 170  and name HA  ))
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      4.672 ppm2      1.672 CV     1
 ASSI { 1058}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 170  and name HA  ))
      2.600     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.39624E-02 ppm1      4.672 ppm2      1.871 CV     1
 ASSI { 1059}
   (( segid "SAP" and resid 171  and name HG2 ))
   (( segid "SAP" and resid 170  and name HA  ))
      3.700     1.800     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.25980E-02 ppm1      4.672 ppm2      2.001 CV     1
 OR { 1059}
   (( segid "SAP" and resid 171  and name HG1 ))
   (( segid "SAP" and resid 170  and name HA  ))
 ASSI { 1060}
   (( segid "SAP" and resid 170  and name HD1 ))
   (( segid "SAP" and resid 170  and name HB2 ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.39305E-02 ppm1      1.693 ppm2      3.175 CV     1
 OR { 1060}
   (( segid "SAP" and resid 170  and name HD2 ))
   (( segid "SAP" and resid 170  and name HB2 ))
 ASSI { 1065}
   (( segid "SAP" and resid 171  and name HB1 ))
   (( segid "SAP" and resid 171  and name HA  ))
      2.100     0.500     0.500 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.11727E-01 ppm1      4.487 ppm2      2.301 CV     1
 ASSI { 1066}
   (( segid "SAP" and resid 171  and name HB1 ))
   (( segid "SAP" and resid 171  and name HD2 ))
      4.300     2.300     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.62952E-03 ppm1      3.606 ppm2      2.304 CV     1
 ASSI { 1068}
   (( segid "SAP" and resid 208  and name HB2 ))
   (( segid "SAP" and resid 207  and name HA  ))
      4.000     2.000     2.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      4.455 ppm2      1.742 CV     1
 ASSI { 1069}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 207  and name HA  ))
      4.300     2.300     1.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.70621E-03 ppm1      4.451 ppm2      1.830 CV     1
 ASSI { 1070}
   (( segid "SAP" and resid 208  and name HG1 ))
   (( segid "SAP" and resid 207  and name HA  ))
      4.200     2.200     1.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.64550E-03 ppm1      4.458 ppm2      1.397 CV     1
 OR { 1070}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 207  and name HA  ))
 ASSI { 1072}
   (( segid "SAP" and resid 205  and name HG1 ))
   (( segid "SAP" and resid 205  and name HD1 ))
      2.000     0.500     0.500 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.20611E-01 ppm1      3.121 ppm2      1.826 CV     1
 OR { 1072}
   (( segid "SAP" and resid 205  and name HG1 ))
   (( segid "SAP" and resid 205  and name HD2 ))
 OR { 1072}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 205  and name HD2 ))
 OR { 1072}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 205  and name HD1 ))
 OR { 1072}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 205  and name HD1 ))
 ASSI { 1073}
   (( segid "SAP" and resid 205  and name HG2 ))
   (( segid "SAP" and resid 205  and name HD1 ))
      2.100     0.600     0.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.13805E-01 ppm1      3.122 ppm2      1.606 CV     1
 OR { 1073}
   (( segid "SAP" and resid 205  and name HG2 ))
   (( segid "SAP" and resid 205  and name HD2 ))
 ASSI { 1075}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 159  and name HD2 ))
      2.500     0.800     0.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.49530E-02 ppm1      3.178 ppm2      4.446 CV     1
 OR { 1075}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 159  and name HD1 ))
 ASSI { 1076}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HD2 ))
      3.100     1.200     1.200 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.35790E-02 ppm1      3.181 ppm2      3.958 CV     1
 OR { 1076}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HD1 ))
 ASSI { 1078}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 159  and name HD1 ))
      3.200     1.300     1.300 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.12718E-02 ppm1      3.192 ppm2      0.812 CV     1
 OR { 1078}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 159  and name HD2 ))
 ASSI { 1079}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 160  and name HD2 ))
      3.700     1.700     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.48572E-03 ppm1      3.431 ppm2      4.146 CV     1
 ASSI { 1080}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 160  and name HD2 ))
      4.300     2.300     1.700 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.68384E-03 ppm1      3.428 ppm2      3.993 CV     1
 ASSI { 1081}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 160  and name HD1 ))
      4.300     2.300     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.89792E-03 ppm1      3.484 ppm2      4.007 CV     1
 ASSI { 1084}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 175  and name HE2 ))
      3.400     1.500     1.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      2.525 ppm2      0.588 CV     1
 ASSI { 1086}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 175  and name HE2 ))
      3.100     1.200     1.200 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.16265E-02 ppm1      2.526 ppm2      0.680 CV     1
 ASSI { 1087}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 175  and name HE2 ))
      2.800     1.000     1.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      2.527 ppm2      1.039 CV     1
 ASSI { 1088}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 175  and name HE2 ))
      2.900     1.100     1.100 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.16361E-02 ppm1      2.527 ppm2      1.175 CV     1
 ASSI { 1091}
   (( segid "SAP" and resid 175  and name HD2 ))
   (( segid "SAP" and resid 175  and name HE1 ))
      2.400     0.700     0.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.46016E-02 ppm1      2.711 ppm2      1.554 CV     1
 OR { 1091}
   (( segid "SAP" and resid 175  and name HD1 ))
   (( segid "SAP" and resid 175  and name HE1 ))
 ASSI { 1092}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 175  and name HE1 ))
      3.500     1.500     1.500 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      2.713 ppm2      1.176 CV     1
 ASSI { 1093}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 175  and name HE1 ))
      3.100     1.200     1.200 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.29559E-02 ppm1      2.713 ppm2      1.041 CV     1
 ASSI { 1096}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HE2 ))
      3.900     1.900     1.900 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.36109E-03 ppm1      2.531 ppm2     -0.891 CV     1
 ASSI { 1097}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HE1 ))
      4.900     3.000     1.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.24861E-03 ppm1      2.713 ppm2     -0.896 CV     1
 ASSI { 1098}
   (( segid "SAP" and resid 175  and name HE1 ))
   (( segid "SAP" and resid 151  and name HA  ))
      3.900     1.900     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.70301E-03 ppm1      3.833 ppm2      2.721 CV     1
 ASSI { 1100}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 175  and name HG2 ))
      4.400     2.400     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.45057E-03 ppm1      1.029 ppm2      3.739 CV     1
 ASSI { 1104}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HG1 ))
      3.200     1.300     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      1.179 ppm2     -0.873 CV     1
 ASSI { 1105}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 175  and name HG2 ))
      3.800     1.800     1.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.80204E-03 ppm1      1.065 ppm2     -0.876 CV     1
 ASSI { 1106}
   (( segid "SAP" and resid 213  and name HA  ))
   (( segid "SAP" and resid 213  and name HB2 ))
      2.600     0.800     0.800 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.47294E-02 ppm1      1.578 ppm2      4.262 CV     1
 OR { 1106}
   (( segid "SAP" and resid 213  and name HA  ))
   (( segid "SAP" and resid 213  and name HB1 ))
 ASSI { 1107}
   (( segid "SAP" and resid 173  and name HB1 ))
   (( segid "SAP" and resid 173  and name HB2 ))
      1.800     0.400     0.400 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.13389E-01 ppm1      1.479 ppm2      1.761 CV     1
 ASSI { 1108}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 178  and name HB1 ))
      1.700     0.400     0.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.15690E-01 ppm1      1.772 ppm2      1.571 CV     1
 OR { 1108}
   (( segid "SAP" and resid 178  and name HG  ))
   (( segid "SAP" and resid 178  and name HB1 ))
 ASSI { 1110}
   (  segid "SAP" and resid 213  and name HD1%)
   (( segid "SAP" and resid 213  and name HB1 ))
      2.700     0.900     0.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.41541E-02 ppm1      1.579 ppm2      0.880 CV     1
 OR { 1110}
   (  segid "SAP" and resid 213  and name HD1%)
   (( segid "SAP" and resid 213  and name HB2 ))
 ASSI { 1111}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 173  and name HB1 ))
      2.600     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.31156E-02 ppm1      1.752 ppm2      0.717 CV     1
 ASSI { 1125}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HE1 ))
      3.300     1.400     1.400 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10098E-02 ppm1      2.928 ppm2      2.111 CV     1
 OR { 1125}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HE2 ))
 OR { 1125}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HE1 ))
 OR { 1125}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HE2 ))
 ASSI { 1126}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 162  and name HE2 ))
      2.700     0.900     0.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.36429E-02 ppm1      2.931 ppm2      1.947 CV     1
 OR { 1126}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 162  and name HE1 ))
 ASSI { 1128}
   (( segid "SAP" and resid 166  and name HG2 ))
   (( segid "SAP" and resid 166  and name HE2 ))
      2.500     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.70940E-02 ppm1      2.935 ppm2      1.261 CV     1
 OR { 1128}
   (( segid "SAP" and resid 166  and name HG2 ))
   (( segid "SAP" and resid 166  and name HE1 ))
 OR { 1128}
   (( segid "SAP" and resid 166  and name HG1 ))
   (( segid "SAP" and resid 166  and name HE2 ))
 OR { 1128}
   (( segid "SAP" and resid 166  and name HG1 ))
   (( segid "SAP" and resid 166  and name HE1 ))
 ASSI { 1134}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 197  and name HB1 ))
      4.500     2.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.61993E-03 ppm1      1.710 ppm2      3.948 CV     1
 ASSI { 1136}
   (( segid "SAP" and resid 197  and name HG  ))
   (( segid "SAP" and resid 197  and name HB2 ))
      2.700     0.900     0.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      1.146 ppm2      1.458 CV     1
 ASSI { 1151}
   (( segid "SAP" and resid 189  and name HG12))
   (( segid "SAP" and resid 189  and name HB  ))
      3.600     1.600     1.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.82446E-03 ppm1      1.236 ppm2      0.448 CV     1
 ASSI { 1156}
   (( segid "SAP" and resid 209  and name HB1 ))
   (( segid "SAP" and resid 209  and name HB2 ))
      1.600     0.300     0.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.36749E-01 ppm1      2.669 ppm2      2.860 CV     1
 ASSI { 1157}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 206  and name HB1 ))
      4.500     2.600     1.500 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      2.663 ppm2      4.121 CV     1
 ASSI { 1161}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 165  and name HB2 ))
      4.000     2.000     2.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.72858E-03 ppm1      2.062 ppm2      0.773 CV     1
 ASSI { 1162}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 165  and name HB1 ))
      3.300     1.400     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.83081E-03 ppm1      2.900 ppm2      1.607 CV     1
 ASSI { 1165}
   (( segid "SAP" and resid 151  and name HB2 ))
   (( segid "SAP" and resid 151  and name HB1 ))
      1.700     0.300     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.27865E-01 ppm1      3.192 ppm2      3.034 CV     1
 ASSI { 1170}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 157  and name HB  ))
      4.000     2.000     2.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.12175E-02 ppm1      4.411 ppm2      1.196 CV     1
 ASSI { 1171}
   (( segid "SAP" and resid 175  and name HE1 ))
   (( segid "SAP" and resid 155  and name HA  ))
      4.300     2.300     1.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.18822E-03 ppm1      3.618 ppm2      2.719 CV     1
 ASSI { 1172}
   (( segid "SAP" and resid 175  and name HE2 ))
   (( segid "SAP" and resid 155  and name HA  ))
      5.000     3.100     1.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.21474E-03 ppm1      3.623 ppm2      2.518 CV     1
 ASSI { 1174}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 201  and name HA  ))
      3.600     1.600     1.600 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.86915E-03 ppm1      3.641 ppm2     -0.026 CV     1
 ASSI { 1175}
   (( segid "SAP" and resid 204  and name HB  ))
   (( segid "SAP" and resid 201  and name HA  ))
      3.200     1.300     1.300 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      3.640 ppm2      1.553 CV     1
 ASSI { 1176}
   (( segid "SAP" and resid 201  and name HB  ))
   (( segid "SAP" and resid 201  and name HA  ))
      3.000     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.19972E-02 ppm1      3.637 ppm2      2.039 CV     1
 ASSI { 1179}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 204  and name HA  ))
      4.300     2.300     1.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.26491E-03 ppm1      3.569 ppm2      1.355 CV     1
 ASSI { 1193}
   (( segid "SAP" and resid 147  and name HB2 ))
   (( segid "SAP" and resid 147  and name HB1 ))
      1.500     0.300     0.700 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.46335E-01 ppm1      1.951 ppm2      1.745 CV     1
 ASSI { 1198}
   (( segid "SAP" and resid 146  and name HB2 ))
   (( segid "SAP" and resid 146  and name HA  ))
      2.800     1.000     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.51767E-02 ppm1      4.272 ppm2      1.049 CV     1
 ASSI { 1199}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 148  and name HA  ))
      4.200     2.200     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      3.900 ppm2      1.948 CV     1
 ASSI { 1200}
   (( segid "SAP" and resid 139  and name HB2 ))
   (( segid "SAP" and resid 139  and name HB1 ))
      1.600     0.300     0.600 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.30581E-01 ppm1      2.257 ppm2      1.883 CV     1
 ASSI { 1208}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HB1 ))
      1.900     0.400     0.400 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.27865E-01 ppm1      1.879 ppm2      3.943 CV     1
 OR { 1208}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HB2 ))
 ASSI { 1212}
   (( segid "SAP" and resid 203  and name HB1 ))
   (( segid "SAP" and resid 200  and name HA  ))
      3.900     1.900     1.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.85958E-03 ppm1      4.976 ppm2      4.257 CV     1
 ASSI { 1213}
   (( segid "SAP" and resid 168  and name HD2 ))
   (( segid "SAP" and resid 168  and name HB1 ))
      4.300     2.300     1.700 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.61034E-03 ppm1      2.172 ppm2      3.659 CV     1
 ASSI { 1216}
   (( segid "SAP" and resid 168  and name HB1 ))
   (( segid "SAP" and resid 168  and name HB2 ))
      1.700     0.300     0.500 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.35470E-01 ppm1      1.938 ppm2      2.163 CV     1
 ASSI { 1218}
   (( segid "SAP" and resid 190  and name HB2 ))
   (( segid "SAP" and resid 190  and name HB1 ))
      1.800     0.400     0.400 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.21378E-01 ppm1      2.122 ppm2      1.828 CV     1
 ASSI { 1219}
   (( segid "SAP" and resid 194  and name HG1 ))
   (( segid "SAP" and resid 194  and name HB2 ))
      2.200     0.600     0.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.12175E-01 ppm1      1.881 ppm2      1.487 CV     1
 OR { 1219}
   (( segid "SAP" and resid 194  and name HG1 ))
   (( segid "SAP" and resid 194  and name HB1 ))
 ASSI { 1220}
   (( segid "SAP" and resid 194  and name HG2 ))
   (( segid "SAP" and resid 194  and name HB2 ))
      2.100     0.600     0.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.11824E-01 ppm1      1.882 ppm2      1.408 CV     1
 OR { 1220}
   (( segid "SAP" and resid 194  and name HG2 ))
   (( segid "SAP" and resid 194  and name HB1 ))
 ASSI { 1221}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 146  and name HB2 ))
      3.300     1.400     1.400 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.84680E-03 ppm1      1.042 ppm2      3.691 CV     1
 ASSI { 1222}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 146  and name HB2 ))
      4.100     2.100     1.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.71260E-03 ppm1      1.044 ppm2      3.779 CV     1
 ASSI { 1223}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 146  and name HB1 ))
      4.000     2.000     2.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.90749E-03 ppm1      1.748 ppm2      3.692 CV     1
 ASSI { 1224}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 146  and name HB1 ))
      4.100     2.100     1.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.73177E-03 ppm1      1.750 ppm2      3.786 CV     1
 ASSI { 1226}
   (( segid "SAP" and resid 185  and name HB2 ))
   (( segid "SAP" and resid 185  and name HB1 ))
      2.300     0.700     0.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.34511E-02 ppm1      3.330 ppm2      3.206 CV     1
 ASSI { 1228}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 185  and name HB2 ))
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.40583E-03 ppm1      3.210 ppm2      0.775 CV     1
 ASSI { 1229}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 185  and name HB1 ))
      4.400     2.400     1.600 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.18151E-03 ppm1      3.329 ppm2      0.889 CV     1
 ASSI { 1232}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 189  and name HA  ))
      2.700     0.900     0.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.35790E-02 ppm1      3.740 ppm2      0.708 CV     1
 OR { 1232}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 189  and name HA  ))
 ASSI { 1234}
   (( segid "SAP" and resid 189  and name HG12))
   (( segid "SAP" and resid 189  and name HA  ))
      3.200     1.300     1.300 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.82125E-03 ppm1      3.742 ppm2      0.457 CV     1
 ASSI { 1237}
   (( segid "SAP" and resid 170  and name HB2 ))
   (( segid "SAP" and resid 169  and name HA  ))
      4.400     2.400     1.600 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.47294E-03 ppm1      4.493 ppm2      1.697 CV     1
 ASSI { 1238}
   (( segid "SAP" and resid 170  and name HB1 ))
   (( segid "SAP" and resid 170  and name HB2 ))
      1.700     0.400     0.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.23646E-01 ppm1      1.689 ppm2      1.876 CV     1
 ASSI { 1245}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 141  and name HB2 ))
      1.400     0.200     0.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.88836E-01 ppm1      1.936 ppm2      2.055 CV     1
 ASSI { 1246}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 193  and name HB1 ))
      2.900     1.100     1.100 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      2.037 ppm2      3.520 CV     1
 OR { 1246}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 193  and name HB2 ))
 ASSI { 1247}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HB1 ))
      2.500     0.800     0.800 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.52726E-02 ppm1      1.884 ppm2      3.958 CV     1
 OR { 1247}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HB2 ))
 ASSI { 1249}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 152  and name HB2 ))
      2.600     0.800     0.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.71580E-02 ppm1      1.953 ppm2      4.084 CV     1
 ASSI { 1251}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 159  and name HG1 ))
      2.600     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.33553E-02 ppm1      1.870 ppm2      3.184 CV     1
 OR { 1251}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 159  and name HG1 ))
 ASSI { 1252}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 159  and name HG2 ))
      2.700     0.900     0.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.35151E-02 ppm1      1.563 ppm2      3.184 CV     1
 OR { 1252}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 159  and name HG2 ))
 ASSI { 1255}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 175  and name HD1 ))
      2.900     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.22656E-02 ppm1      1.562 ppm2      0.966 CV     1
 OR { 1255}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 175  and name HD2 ))
 ASSI { 1256}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 175  and name HD2 ))
      3.400     1.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.70621E-03 ppm1      1.555 ppm2      0.675 CV     1
 OR { 1256}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 175  and name HD1 ))
 ASSI { 1258}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 208  and name HD2 ))
      3.800     1.800     1.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.92034E-03 ppm1      1.629 ppm2      4.452 CV     1
 OR { 1258}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 208  and name HD1 ))
 ASSI { 1259}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 166  and name HD1 ))
      2.600     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      1.681 ppm2      3.856 CV     1
 ASSI { 1260}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HD1 ))
      2.800     1.000     1.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.24925E-02 ppm1      1.674 ppm2      3.943 CV     1
 OR { 1260}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HD2 ))
 ASSI { 1261}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HG2 ))
      2.900     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      1.586 ppm2      3.933 CV     1
 ASSI { 1262}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 166  and name HD2 ))
      3.000     1.100     1.100 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.20164E-02 ppm1      1.589 ppm2      3.845 CV     1
 ASSI { 1263}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HG1 ))
      3.000     1.200     1.200 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.21474E-02 ppm1      1.871 ppm2      3.955 CV     1
 ASSI { 1265}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 187  and name HD2 ))
      3.600     1.600     1.600 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.79569E-03 ppm1      1.740 ppm2      4.141 CV     1
 OR { 1265}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 187  and name HD1 ))
 ASSI { 1270}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 181  and name HG12))
      1.800     0.400     0.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.15946E-01 ppm1      1.304 ppm2      1.741 CV     1
 ASSI { 1271}
   (( segid "SAP" and resid 197  and name HG  ))
   (( segid "SAP" and resid 197  and name HA  ))
      3.600     1.600     1.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.72219E-03 ppm1      3.829 ppm2      1.444 CV     1
 ASSI { 1274}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 177  and name HA  ))
      3.500     1.600     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      4.088 ppm2      1.510 CV     1
 ASSI { 1275}
   (( segid "SAP" and resid 158  and name HB1 ))
   (( segid "SAP" and resid 158  and name HA  ))
      2.900     1.000     1.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.12335E-02 ppm1      3.916 ppm2      2.055 CV     1
 ASSI { 1276}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 178  and name HA  ))
      2.600     0.800     0.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      4.046 ppm2      1.927 CV     1
 ASSI { 1279}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 160  and name HA  ))
      2.900     1.100     1.100 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.38985E-02 ppm1      4.001 ppm2      1.569 CV     1
 ASSI { 1283}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HG1 ))
      3.200     1.300     1.300 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.21634E-02 ppm1      1.875 ppm2      2.212 CV     1
 ASSI { 1284}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 160  and name HG2 ))
      3.200     1.300     1.300 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.22368E-02 ppm1      1.550 ppm2      2.108 CV     1
 ASSI { 1287}
   (( segid "SAP" and resid 166  and name HD2 ))
   (( segid "SAP" and resid 166  and name HB1 ))
      2.800     1.000     1.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.20132E-02 ppm1      2.017 ppm2      1.571 CV     1
 ASSI { 1290}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HG1 ))
      2.400     0.700     0.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.74455E-02 ppm1      1.839 ppm2      3.226 CV     1
 ASSI { 1292}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 168  and name HG1 ))
      2.400     0.700     0.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.41861E-02 ppm1      2.130 ppm2      4.023 CV     1
 ASSI { 1294}
   (( segid "SAP" and resid 145  and name HA  ))
   (( segid "SAP" and resid 146  and name HG1 ))
      3.800     1.800     1.800 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.18470E-02 ppm1      1.857 ppm2      4.577 CV     1
 OR { 1294}
   (( segid "SAP" and resid 145  and name HA  ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI { 1300}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 146  and name HG1 ))
      3.000     1.100     1.100 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.29239E-02 ppm1      1.857 ppm2      4.275 CV     1
 OR { 1300}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI { 1302}
   (( segid "SAP" and resid 146  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG1 ))
      2.200     0.600     0.600 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.10130E-01 ppm1      1.855 ppm2      1.034 CV     1
 OR { 1302}
   (( segid "SAP" and resid 146  and name HB2 ))
   (( segid "SAP" and resid 146  and name HG2 ))
 ASSI { 1306}
   (( segid "SAP" and resid 175  and name HE1 ))
   (  segid "SAP" and resid 158  and name HD1%)
      2.700     0.900     0.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.22720E-02 ppm1      0.684 ppm2      2.714 CV     1
 ASSI { 1308}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 158  and name HD1%)
      2.700     0.900     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      0.682 ppm2      2.080 CV     1
 ASSI { 1309}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 158  and name HG  ))
      2.100     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.94269E-02 ppm1      1.552 ppm2      0.666 CV     1
 OR { 1309}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 158  and name HG  ))
 ASSI { 1311}
   (( segid "SAP" and resid 158  and name HA  ))
   (  segid "SAP" and resid 158  and name HD1%)
      4.000     2.000     2.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.10737E-02 ppm1      0.685 ppm2      3.915 CV     1
 ASSI { 1312}
   (( segid "SAP" and resid 175  and name HA  ))
   (  segid "SAP" and resid 158  and name HD1%)
      3.400     1.500     1.500 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.12207E-02 ppm1      0.684 ppm2      3.745 CV     1
 ASSI { 1314}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 158  and name HD1%)
      3.800     1.800     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.44098E-03 ppm1      0.680 ppm2      3.178 CV     1
 ASSI { 1318}
   (( segid "SAP" and resid 178  and name HB1 ))
   (  segid "SAP" and resid 158  and name HD1%)
      3.400     1.400     1.400 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.95547E-03 ppm1      0.680 ppm2      1.804 CV     1
 ASSI { 1322}
   (( segid "SAP" and resid 158  and name HG  ))
   (  segid "SAP" and resid 158  and name HD2%)
      2.200     0.600     0.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.90435E-02 ppm1      0.644 ppm2      1.560 CV     1
 ASSI { 1324}
   (( segid "SAP" and resid 153  and name HB1 ))
   (  segid "SAP" and resid 158  and name HD2%)
      2.800     1.000     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.52726E-02 ppm1      0.644 ppm2      1.867 CV     1
 ASSI { 1325}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 158  and name HD2%)
      2.300     0.700     0.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.47933E-02 ppm1      0.645 ppm2      2.064 CV     1
 ASSI { 1335}
   (( segid "SAP" and resid 184  and name HB2 ))
   (( segid "SAP" and resid 184  and name HB1 ))
      1.700     0.300     0.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.29494E-01 ppm1      3.080 ppm2      2.973 CV     1
 ASSI { 1336}
   (  segid "SAP" and resid 148  and name HG1%)
   (  segid "SAP" and resid 150  and name HD1%)
      3.200     1.300     1.300 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.16329E-02 ppm1      0.446 ppm2      0.971 CV     1
 ASSI { 1340}
   (( segid "SAP" and resid 162  and name HA  ))
   (  segid "SAP" and resid 167  and name HD1%)
      2.400     0.700     0.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.46016E-02 ppm1      0.868 ppm2      3.950 CV     1
 ASSI { 1341}
   (( segid "SAP" and resid 185  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD1%)
      3.100     1.200     1.200 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      0.864 ppm2      3.199 CV     1
 ASSI { 1342}
   (( segid "SAP" and resid 161  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD1%)
      4.400     2.400     1.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.50808E-03 ppm1      0.865 ppm2      2.657 CV     1
 OR { 1342}
   (( segid "SAP" and resid 161  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI { 1343}
   (( segid "SAP" and resid 162  and name HB2 ))
   (  segid "SAP" and resid 167  and name HD1%)
      3.500     1.500     1.500 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.14188E-02 ppm1      0.872 ppm2      2.115 CV     1
 OR { 1343}
   (( segid "SAP" and resid 162  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI { 1345}
   (( segid "SAP" and resid 167  and name HG  ))
   (  segid "SAP" and resid 167  and name HD1%)
      2.200     0.600     0.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.10354E-01 ppm1      0.870 ppm2      1.602 CV     1
 OR { 1345}
   (( segid "SAP" and resid 167  and name HB1 ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI { 1346}
   (( segid "SAP" and resid 162  and name HG1 ))
   (  segid "SAP" and resid 167  and name HD1%)
      3.000     1.100     1.100 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.44737E-02 ppm1      0.871 ppm2      1.706 CV     1
 OR { 1346}
   (( segid "SAP" and resid 162  and name HD1 ))
   (  segid "SAP" and resid 167  and name HD1%)
 ASSI { 1347}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 167  and name HD1%)
      3.900     1.900     1.900 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.48252E-03 ppm1      0.861 ppm2     -0.207 CV     1
 ASSI { 1348}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "SAP" and resid 167  and name HD1%)
      3.900     1.900     1.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.77648E-03 ppm1      0.870 ppm2     -1.039 CV     1
 ASSI { 1350}
   (( segid "SAP" and resid 159  and name HA  ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.500     0.800     0.800 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.46016E-02 ppm1      0.794 ppm2      3.944 CV     1
 ASSI { 1351}
   (( segid "SAP" and resid 175  and name HA  ))
   (  segid "SAP" and resid 178  and name HD2%)
      3.900     1.900     1.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.14635E-02 ppm1      0.793 ppm2      3.759 CV     1
 ASSI { 1352}
   (( segid "SAP" and resid 155  and name HA  ))
   (  segid "SAP" and resid 178  and name HD2%)
      4.000     2.000     2.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.98738E-03 ppm1      0.791 ppm2      3.625 CV     1
 ASSI { 1357}
   (( segid "SAP" and resid 158  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD2%)
      2.800     1.000     1.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.44737E-02 ppm1      0.794 ppm2      1.201 CV     1
 ASSI { 1369}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HG2 ))
      2.800     1.000     1.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.24829E-02 ppm1      1.485 ppm2      2.126 CV     1
 OR { 1369}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HG2 ))
 ASSI { 1373}
   (( segid "SAP" and resid 166  and name HD2 ))
   (( segid "SAP" and resid 166  and name HG2 ))
      2.300     0.700     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.85323E-02 ppm1      1.261 ppm2      1.595 CV     1
 OR { 1373}
   (( segid "SAP" and resid 166  and name HD2 ))
   (( segid "SAP" and resid 166  and name HG1 ))
 ASSI { 1374}
   (( segid "SAP" and resid 166  and name HD1 ))
   (( segid "SAP" and resid 166  and name HG1 ))
      2.500     0.800     0.800 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.54963E-02 ppm1      1.262 ppm2      1.675 CV     1
 OR { 1374}
   (( segid "SAP" and resid 166  and name HD1 ))
   (( segid "SAP" and resid 166  and name HG2 ))
 ASSI { 1375}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 166  and name HG2 ))
      2.500     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.47613E-02 ppm1      1.264 ppm2      1.797 CV     1
 OR { 1375}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 166  and name HG1 ))
 ASSI { 1379}
   (( segid "SAP" and resid 183  and name HA2 ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.600     2.600     3.400 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.25276E-02 ppm1      0.593 ppm2      3.570 CV     1
 ASSI { 1380}
   (( segid "SAP" and resid 194  and name HA  ))
   (  segid "SAP" and resid 197  and name HD1%)
      2.700     0.900     0.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      0.593 ppm2      3.931 CV     1
 ASSI { 1382}
   (( segid "SAP" and resid 151  and name HB2 ))
   (  segid "SAP" and resid 179  and name HG1%)
      2.900     1.000     1.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.18949E-02 ppm1      0.588 ppm2      3.043 CV     1
 ASSI { 1383}
   (( segid "SAP" and resid 180  and name HG1 ))
   (  segid "SAP" and resid 179  and name HG1%)
      3.100     3.100     2.900 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.93312E-03 ppm1      0.588 ppm2      2.383 CV     1
 ASSI { 1384}
   (( segid "SAP" and resid 193  and name HG1 ))
   (  segid "SAP" and resid 197  and name HD1%)
      3.000     1.100     1.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.25884E-02 ppm1      0.593 ppm2      2.201 CV     1
 ASSI { 1385}
   (( segid "SAP" and resid 193  and name HG2 ))
   (  segid "SAP" and resid 197  and name HD1%)
      2.600     0.800     0.800 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.37707E-02 ppm1      0.594 ppm2      2.087 CV     1
 ASSI { 1387}
   (( segid "SAP" and resid 197  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD1%)
      2.300     0.700     0.700 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.86915E-02 ppm1      0.590 ppm2      1.172 CV     1
 ASSI { 1390}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "SAP" and resid 179  and name HG1%)
      3.300     1.300     1.300 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      0.592 ppm2      0.919 CV     1
 ASSI { 1392}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 153  and name HA  ))
      2.600     0.800     0.800 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.31508E-02 ppm1      4.439 ppm2      1.894 CV     1
 ASSI { 1395}
   (( segid "SAP" and resid 177  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD1%)
      5.000     3.100     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.32274E-03 ppm1      0.815 ppm2      2.292 CV     1
 ASSI { 1396}
   (( segid "SAP" and resid 159  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD1%)
      2.800     1.000     1.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.41541E-02 ppm1      0.815 ppm2      1.928 CV     1
 OR { 1396}
   (( segid "SAP" and resid 159  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD1%)
 ASSI { 1397}
   (( segid "SAP" and resid 178  and name HB1 ))
   (  segid "SAP" and resid 178  and name HD1%)
      2.300     0.700     0.700 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.89157E-02 ppm1      0.816 ppm2      1.781 CV     1
 ASSI { 1398}
   (( segid "SAP" and resid 178  and name HG  ))
   (  segid "SAP" and resid 178  and name HD1%)
      2.000     0.500     0.500 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.15626E-01 ppm1      0.816 ppm2      1.550 CV     1
 OR { 1398}
   (( segid "SAP" and resid 178  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD1%)
 ASSI { 1399}
   (( segid "SAP" and resid 158  and name HB2 ))
   (  segid "SAP" and resid 178  and name HD1%)
      2.500     0.800     0.800 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.32274E-02 ppm1      0.815 ppm2      1.206 CV     1
 ASSI { 1402}
   (( segid "SAP" and resid 158  and name HA  ))
   (  segid "SAP" and resid 157  and name HG2%)
      3.200     1.200     1.200 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      1.444 ppm2      3.927 CV     1
 ASSI { 1404}
   (( segid "SAP" and resid 153  and name HB2 ))
   (  segid "SAP" and resid 157  and name HG2%)
      3.400     1.400     1.400 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      1.444 ppm2      1.211 CV     1
 ASSI { 1407}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "SAP" and resid 158  and name HD2%)
      2.500     0.800     0.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.40263E-02 ppm1      0.649 ppm2      0.893 CV     1
 ASSI { 1408}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 158  and name HD2%)
      3.300     1.300     1.300 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      0.649 ppm2      0.198 CV     1
 ASSI { 1411}
   (( segid "SAP" and resid 169  and name HB  ))
   (  segid "SAP" and resid 173  and name HD2%)
      3.000     1.100     1.100 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.17831E-02 ppm1      0.725 ppm2      4.161 CV     1
 ASSI { 1413}
   (( segid "SAP" and resid 177  and name HB2 ))
   (  segid "SAP" and resid 173  and name HD2%)
      2.600     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.59436E-02 ppm1      0.723 ppm2      1.970 CV     1
 ASSI { 1414}
   (( segid "SAP" and resid 173  and name HB2 ))
   (  segid "SAP" and resid 173  and name HD2%)
      2.900     1.000     1.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.63591E-02 ppm1      0.724 ppm2      1.483 CV     1
 ASSI { 1415}
   (( segid "SAP" and resid 154  and name HA  ))
   (  segid "SAP" and resid 155  and name HG1%)
      3.900     1.900     1.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.94590E-03 ppm1      1.042 ppm2      4.239 CV     1
 ASSI { 1423}
   (( segid "SAP" and resid 182  and name HA  ))
   (  segid "SAP" and resid 158  and name HD2%)
      4.300     2.400     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.91070E-03 ppm1      0.664 ppm2      3.305 CV     1
 ASSI { 1427}
   (( segid "SAP" and resid 200  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.900     3.000     1.100 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.28887E-03 ppm1     -0.045 ppm2      3.256 CV     1
 ASSI { 1428}
   (( segid "SAP" and resid 193  and name HG2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      4.100     2.100     1.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.92991E-03 ppm1     -0.049 ppm2      2.082 CV     1
 ASSI { 1429}
   (( segid "SAP" and resid 197  and name HB2 ))
   (  segid "SAP" and resid 197  and name HD2%)
      3.200     1.300     1.300 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.36429E-02 ppm1     -0.047 ppm2      1.146 CV     1
 ASSI { 1430}
   (( segid "SAP" and resid 150  and name HB2 ))
   (  segid "SAP" and resid 150  and name HD2%)
      2.900     1.000     1.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.58477E-02 ppm1      0.198 ppm2      1.089 CV     1
 ASSI { 1432}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 153  and name HD1%)
      3.700     1.700     1.700 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.39624E-03 ppm1      0.889 ppm2      0.210 CV     1
 ASSI { 1434}
   (( segid "SAP" and resid 149  and name HA  ))
   (  segid "SAP" and resid 148  and name HG2%)
      4.000     2.000     2.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.48252E-03 ppm1      0.667 ppm2      4.868 CV     1
 ASSI { 1436}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "SAP" and resid 148  and name HG2%)
      2.700     0.900     0.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.78926E-02 ppm1      0.666 ppm2      0.448 CV     1
 ASSI { 1437}
   (( segid "SAP" and resid 194  and name HE1 ))
   (  segid "SAP" and resid 198  and name HG2%)
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.61673E-03 ppm1      1.248 ppm2      2.966 CV     1
 OR { 1437}
   (( segid "SAP" and resid 194  and name HE2 ))
   (  segid "SAP" and resid 198  and name HG2%)
 ASSI { 1445}
   (( segid "SAP" and resid 173  and name HA  ))
   (  segid "SAP" and resid 169  and name HG2%)
      4.100     2.100     1.900 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.14028E-02 ppm1      1.067 ppm2      4.275 CV     1
 ASSI { 1447}
   (( segid "SAP" and resid 191  and name HB  ))
   (  segid "SAP" and resid 191  and name HG1%)
      2.100     0.600     0.600 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.12526E-01 ppm1      0.736 ppm2      1.790 CV     1
 ASSI { 1448}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "SAP" and resid 179  and name HG2%)
      3.700     1.700     1.700 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.30869E-03 ppm1      0.481 ppm2     -0.195 CV     1
 ASSI { 1449}
   (  segid "SAP" and resid 150  and name HD2%)
   (  segid "SAP" and resid 179  and name HG2%)
      3.400     3.400     2.600 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.20866E-02 ppm1      0.481 ppm2      0.199 CV     1
 ASSI { 1452}
   (( segid "SAP" and resid 203  and name HB1 ))
   (  segid "SAP" and resid 204  and name HG2%)
      4.600     2.700     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.26171E-03 ppm1     -0.032 ppm2      4.276 CV     1
 ASSI { 1453}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 174  and name HA  ))
      4.500     2.600     1.500 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.36429E-03 ppm1      4.751 ppm2      2.626 CV     1
 ASSI { 1454}
   (( segid "SAP" and resid 190  and name HD1 ))
   (( segid "SAP" and resid 190  and name HD2 ))
      2.000     0.500     0.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.82125E-02 ppm1      3.549 ppm2      4.046 CV     1
 ASSI { 1456}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 146  and name HD1 ))
      3.700     1.700     1.700 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.62632E-03 ppm1      3.775 ppm2      4.259 CV     1
 ASSI { 1457}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 146  and name HD2 ))
      3.600     1.600     1.600 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.89471E-03 ppm1      3.678 ppm2      4.263 CV     1
 ASSI { 1458}
   (( segid "SAP" and resid 140  and name HA  ))
   (  segid "SAP" and resid 140  and name HG2%)
      3.000     1.200     1.200 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.22017E-02 ppm1      0.932 ppm2      4.047 CV     1
 ASSI { 1459}
   (( segid "SAP" and resid 218  and name HA2 ))
   (  segid "SAP" and resid 219  and name HG2%)
      5.200     3.300     0.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.14699E-03 ppm1      0.831 ppm2      3.945 CV     1
 OR { 1459}
   (( segid "SAP" and resid 218  and name HA1 ))
   (  segid "SAP" and resid 219  and name HG2%)
 ASSI { 1460}
   (( segid "SAP" and resid 179  and name HA  ))
   (  segid "SAP" and resid 182  and name HG2%)
      3.500     1.500     1.500 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1     -0.193 ppm2      3.179 CV     1
 ASSI { 1462}
   (( segid "SAP" and resid 158  and name HB1 ))
   (  segid "SAP" and resid 182  and name HG2%)
      3.400     1.400     1.400 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.46974E-03 ppm1     -0.192 ppm2      2.093 CV     1
 ASSI { 1463}
   (( segid "SAP" and resid 177  and name HG1 ))
   (  segid "SAP" and resid 176  and name HB% )
      3.800     1.800     1.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.12974E-02 ppm1      1.508 ppm2      2.652 CV     1
 ASSI { 1465}
   (( segid "SAP" and resid 179  and name HB  ))
   (  segid "SAP" and resid 176  and name HB% )
      3.200     1.300     1.300 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.26331E-02 ppm1      1.511 ppm2      1.923 CV     1
 ASSI { 1466}
   (( segid "SAP" and resid 180  and name HB1 ))
   (  segid "SAP" and resid 176  and name HB% )
      3.800     1.800     1.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.71260E-03 ppm1      1.511 ppm2      2.152 CV     1
 OR { 1466}
   (( segid "SAP" and resid 180  and name HB2 ))
   (  segid "SAP" and resid 176  and name HB% )
 ASSI { 1469}
   (( segid "SAP" and resid 143  and name HG12))
   (  segid "SAP" and resid 143  and name HG2%)
      2.600     0.800     0.800 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.38985E-02 ppm1      0.893 ppm2      1.147 CV     1
 ASSI { 1470}
   (( segid "SAP" and resid 143  and name HG12))
   (  segid "SAP" and resid 143  and name HD1%)
      2.200     0.600     0.600 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.11057E-01 ppm1      0.850 ppm2      1.141 CV     1
 ASSI { 1473}
   (( segid "SAP" and resid 190  and name HD2 ))
   (( segid "SAP" and resid 189  and name HA  ))
      2.600     0.800     0.800 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.39624E-02 ppm1      3.741 ppm2      3.556 CV     1
 ASSI { 1474}
   (( segid "SAP" and resid 189  and name HA  ))
   (( segid "SAP" and resid 190  and name HD1 ))
      2.400     0.700     0.700 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.47613E-02 ppm1      4.041 ppm2      3.741 CV     1
 ASSI { 1478}
   (( segid "SAP" and resid 171  and name HD1 ))
   (( segid "SAP" and resid 171  and name HD2 ))
      1.700     0.400     0.500 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.23359E-01 ppm1      3.608 ppm2      3.778 CV     1
 ASSI { 1481}
   (( segid "SAP" and resid 159  and name HG2 ))
   (( segid "SAP" and resid 159  and name HG1 ))
      1.700     0.300     0.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.26523E-01 ppm1      1.869 ppm2      1.565 CV     1
 ASSI { 1483}
   (( segid "SAP" and resid 189  and name HG11))
   (( segid "SAP" and resid 189  and name HB  ))
      3.000     1.100     1.100 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.12111E-02 ppm1      1.235 ppm2      1.501 CV     1
 ASSI { 1486}
   (( segid "SAP" and resid 190  and name HB1 ))
   (( segid "SAP" and resid 190  and name HD2 ))
      3.300     1.400     1.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.26651E-02 ppm1      3.550 ppm2      2.102 CV     1
 ASSI { 1487}
   (( segid "SAP" and resid 190  and name HG1 ))
   (( segid "SAP" and resid 190  and name HD2 ))
      2.800     1.000     1.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.26235E-02 ppm1      3.546 ppm2      1.943 CV     1
 OR { 1487}
   (( segid "SAP" and resid 190  and name HG2 ))
   (( segid "SAP" and resid 190  and name HD2 ))
 ASSI { 1488}
   (( segid "SAP" and resid 190  and name HB2 ))
   (( segid "SAP" and resid 190  and name HD2 ))
      3.500     1.500     1.500 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1      3.545 ppm2      1.855 CV     1
 ASSI { 1489}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 190  and name HD2 ))
      2.800     1.000     1.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.18694E-02 ppm1      3.546 ppm2      0.711 CV     1
 ASSI { 1490}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 190  and name HD1 ))
      4.100     2.100     1.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.93947E-03 ppm1      4.049 ppm2      0.718 CV     1
 ASSI {    1}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "PAH3" and resid 464  and name HB1 ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.20858E-02 ppm1      2.288 ppm2      1.046 CV     1
 OR {    1}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "PAH3" and resid 464  and name HB1 ))
 ASSI {    2}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "PAH3" and resid 464  and name HB2 ))
      3.400     1.500     1.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.24930E-02 ppm1      2.051 ppm2      1.037 CV     1
 OR {    2}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "PAH3" and resid 464  and name HB2 ))
 ASSI {    3}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "PAH3" and resid 464  and name HG1 ))
      3.800     1.800     1.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.15456E-02 ppm1      2.624 ppm2      1.040 CV     1
 OR {    3}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "PAH3" and resid 464  and name HG1 ))
 ASSI {    4}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "PAH3" and resid 464  and name HG2 ))
      3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      2.401 ppm2      1.043 CV     1
 OR {    4}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "PAH3" and resid 464  and name HG2 ))
 ASSI {    6}
   (  segid "SAP" and resid 197  and name HD1%)
   (( segid "PAH3" and resid 468  and name HB2 ))
      3.700     1.700     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.13961E-02 ppm1      2.973 ppm2      0.619 CV     1
 ASSI {   12}
   (( segid "SAP" and resid 146  and name HB2 ))
   (  segid "PAH3" and resid 480  and name HB% )
      3.800     1.800     1.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.83096E-03 ppm1      1.652 ppm2      1.058 CV     1
 ASSI {   13}
   (( segid "SAP" and resid 146  and name HD1 ))
   (  segid "PAH3" and resid 480  and name HB% )
      4.300     2.300     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      1.652 ppm2      3.811 CV     1
 ASSI {   18}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 482  and name HB1 ))
      4.300     2.300     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.16122E-02 ppm1      2.152 ppm2      0.732 CV     1
 ASSI {   19}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 482  and name HB2 ))
      3.700     1.700     1.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.34154E-02 ppm1      1.920 ppm2      0.736 CV     1
 ASSI {   20}
   (( segid "SAP" and resid 191  and name HB  ))
   (( segid "PAH3" and resid 482  and name HG1 ))
      4.300     2.300     1.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.87251E-03 ppm1      2.455 ppm2      1.801 CV     1
 ASSI {   22}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "PAH3" and resid 482  and name HG1 ))
      3.400     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      2.461 ppm2      0.679 CV     1
 ASSI {   26}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "PAH3" and resid 483  and name HB1 ))
      4.200     2.200     1.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.98058E-03 ppm1      3.083 ppm2      0.970 CV     1
 ASSI {   29}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "PAH3" and resid 485  and name HB1 ))
      3.500     1.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.17617E-02 ppm1      1.961 ppm2      0.739 CV     1
 ASSI {   33}
   (( segid "SAP" and resid 197  and name HA  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      5.000     3.100     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.63239E-03 ppm1      0.531 ppm2      3.827 CV     1
 ASSI {   34}
   (  segid "SAP" and resid 197  and name HD1%)
   (  segid "PAH3" and resid 485  and name HD1%)
      3.600     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.27589E-02 ppm1      0.536 ppm2      0.614 CV     1
 ASSI {   36}
   (( segid "SAP" and resid 191  and name HB  ))
   (  segid "PAH3" and resid 485  and name HD2%)
      4.500     2.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13628E-02 ppm1      0.455 ppm2      1.801 CV     1
 ASSI {   43}
   (  segid "SAP" and resid 197  and name HD2%)
   (  segid "PAH3" and resid 485  and name HD2%)
      3.300     1.400     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.87251E-03 ppm1      0.455 ppm2     -0.056 CV     1
 ASSI {   45}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "PAH3" and resid 488  and name HB1 ))
      3.000     1.100     1.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.21689E-02 ppm1      1.809 ppm2      1.051 CV     1
 ASSI {   46}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "PAH3" and resid 488  and name HB2 ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.11883E-02 ppm1      1.027 ppm2      1.046 CV     1
 ASSI {   49}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "PAH3" and resid 488  and name HD1%)
      3.300     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.15622E-02 ppm1      0.217 ppm2      7.668 CV     1
 ASSI {   50}
   (  segid "SAP" and resid 196  and name HG2%)
   (  segid "PAH3" and resid 488  and name HD2%)
      4.200     2.200     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.21190E-02 ppm1      0.028 ppm2      1.049 CV     1
 ASSI {   51}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "PAH3" and resid 488  and name HD2%)
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.27173E-02 ppm1      0.028 ppm2      7.667 CV     1
 ASSI {   52}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      2.900     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.35816E-02 ppm1      0.030 ppm2      7.121 CV     1
 ASSI {   53}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "PAH3" and resid 488  and name HD2%)
      3.300     1.400     1.400 peak    53 spectrum    1 weight  0.10000E+01 volume  0.14708E-02 ppm1      0.034 ppm2      6.920 CV     1
 ASSI {   61}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "PAH3" and resid 490  and name HD1%)
      4.000     2.000     2.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      1.057 ppm2      6.945 CV     1
 ASSI {   63}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "PAH3" and resid 490  and name HG2%)
      2.900     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.91407E-02 ppm1      1.332 ppm2      6.941 CV     1
 ASSI {   65}
   (  segid "SAP" and resid 189  and name HD1%)
   (  segid "PAH3" and resid 490  and name HG2%)
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.70136E-02 ppm1      1.331 ppm2      0.708 CV     1
 OR {   65}
   (  segid "SAP" and resid 189  and name HG2%)
   (  segid "PAH3" and resid 490  and name HG2%)
 ASSI {   66}
   (  segid "SAP" and resid 157  and name HG2%)
   (  segid "PAH3" and resid 495  and name HG1%)
      3.400     1.500     1.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.20443E-02 ppm1      0.924 ppm2      1.454 CV     1
 ASSI {   67}
   (( segid "SAP" and resid 161  and name HA  ))
   (  segid "PAH3" and resid 495  and name HG1%)
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.82685E-02 ppm1      0.930 ppm2      3.889 CV     1
 ASSI {   68}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "PAH3" and resid 495  and name HG1%)
      3.300     1.400     1.400 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23019E-02 ppm1      0.928 ppm2      6.952 CV     1
 ASSI {   69}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "PAH3" and resid 495  and name HG1%)
      2.300     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.73127E-02 ppm1      0.932 ppm2      6.730 CV     1
 ASSI {   70}
   (( segid "SAP" and resid 161  and name HA  ))
   (  segid "PAH3" and resid 495  and name HG2%)
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.36232E-02 ppm1      0.273 ppm2      3.892 CV     1
 ASSI {   71}
   (( segid "SAP" and resid 164  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG2%)
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.16370E-02 ppm1      0.274 ppm2      2.944 CV     1
 ASSI {   72}
   (( segid "SAP" and resid 165  and name HA  ))
   (  segid "PAH3" and resid 495  and name HG2%)
      3.600     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.23683E-02 ppm1      0.271 ppm2      4.331 CV     1
 ASSI {   73}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "PAH3" and resid 495  and name HG2%)
      2.700     0.900     0.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.63488E-02 ppm1      0.271 ppm2      6.951 CV     1
 ASSI {   75}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "PAH3" and resid 496  and name HG2%)
      3.100     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.18365E-02 ppm1      0.802 ppm2      0.913 CV     1
 ASSI {   76}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "PAH3" and resid 496  and name HG2%)
      3.100     1.200     1.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.25512E-02 ppm1      0.800 ppm2      0.766 CV     1
 ASSI {   78}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "PAH3" and resid 500  and name HA  ))
      5.300     3.500     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.45954E-03 ppm1      4.000 ppm2      0.880 CV     1
 ASSI {   79}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "PAH3" and resid 504  and name HB1 ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.75122E-03 ppm1      1.980 ppm2      0.689 CV     1
 ASSI {   81}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "PAH3" and resid 504  and name HG  ))
      4.200     2.300     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10803E-02 ppm1      1.989 ppm2      0.890 CV     1
 ASSI {   82}
   (  segid "SAP" and resid 148  and name HG1%)
   (  segid "PAH3" and resid 504  and name HD1%)
      4.100     2.100     1.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      0.824 ppm2      0.992 CV     1
 ASSI {   85}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "PAH3" and resid 504  and name HD1%)
      3.200     1.300     1.300 peak    85 spectrum    1 weight  0.10000E+01 volume  0.14792E-02 ppm1      0.819 ppm2      0.897 CV     1
 ASSI {   88}
   (  segid "SAP" and resid 148  and name HG1%)
   (  segid "PAH3" and resid 504  and name HD2%)
      3.400     1.500     1.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.29583E-02 ppm1      0.722 ppm2      0.985 CV     1
 ASSI {   90}
   (( segid "SAP" and resid 150  and name HA  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      2.800     1.000     1.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      0.720 ppm2      3.816 CV     1
 ASSI {   94}
   (( segid "SAP" and resid 152  and name HG1 ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.000     2.000     2.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.80772E-03 ppm1      0.730 ppm2      2.323 CV     1
 OR {   94}
   (( segid "SAP" and resid 152  and name HG2 ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {   95}
   (( segid "SAP" and resid 153  and name HG  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.20526E-02 ppm1      0.727 ppm2      1.647 CV     1
 ASSI {   97}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "PAH3" and resid 504  and name HD2%)
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.45538E-02 ppm1      0.717 ppm2      0.756 CV     1
 ASSI {   98}
   (( segid "SAP" and resid 148  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG2 ))
      3.000     1.100     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.17201E-02 ppm1      1.946 ppm2      3.902 CV     1
 OR {   98}
   (( segid "SAP" and resid 148  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG1 ))
 ASSI {  104}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "PAH3" and resid 523  and name HD1%)
      4.500     2.600     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.93903E-03 ppm1      0.485 ppm2      7.671 CV     1
 ASSI {  105}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "PAH3" and resid 523  and name HD1%)
      3.200     1.200     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.34985E-02 ppm1      0.481 ppm2      7.115 CV     1
 ASSI {  106}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "PAH3" and resid 523  and name HD1%)
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.51438E-02 ppm1      0.479 ppm2      6.906 CV     1
 ASSI {  109}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "PAH3" and resid 523  and name HD2%)
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.17617E-02 ppm1      0.341 ppm2      7.111 CV     1
 ASSI {  110}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "PAH3" and resid 523  and name HD2%)
      3.300     1.400     1.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      0.347 ppm2      6.896 CV     1
 ASSI {  116}
   (( segid "SAP" and resid 149  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG2 ))
      5.000     3.100     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.42381E-03 ppm1      1.940 ppm2      4.873 CV     1
 OR {  116}
   (( segid "SAP" and resid 149  and name HA  ))
   (( segid "PAH3" and resid 507  and name HG1 ))
 ASSI {  118}
   (( segid "SAP" and resid 191  and name HA  ))
   (  segid "PAH3" and resid 485  and name HD2%)
      5.100     3.300     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.61577E-03 ppm1      0.452 ppm2      3.991 CV     1
 ASSI {  119}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.35649E-02 ppm1      0.531 ppm2      7.105 CV     1
 ASSI {  120}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "PAH3" and resid 501  and name HD2%)
      3.900     1.900     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.87251E-03 ppm1      0.527 ppm2      7.671 CV     1
 ASSI {  121}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "PAH3" and resid 504  and name HG  ))
      4.600     2.600     1.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.78859E-03 ppm1      1.988 ppm2      0.690 CV     1
 ASSI {  124}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "PAH3" and resid 501  and name HD2%)
      3.500     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.14875E-02 ppm1      0.542 ppm2      6.901 CV     1
 ASSI {  126}
   (  segid "SAP" and resid 197  and name HD1%)
   (  segid "PAH3" and resid 488  and name HD1%)
      4.600     2.700     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      0.221 ppm2      0.614 CV     1
 ASSI {  127}
   (  segid "SAP" and resid 191  and name HG1%)
   (  segid "PAH3" and resid 488  and name HD1%)
      4.900     3.000     1.100 peak   127 spectrum    1 weight  0.10000E+01 volume  0.82850E-03 ppm1      0.228 ppm2      0.730 CV     1
 ASSI {  128}
   (( segid "SAP" and resid 197  and name HA  ))
   (  segid "PAH3" and resid 488  and name HD1%)
      3.400     1.500     1.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.93903E-03 ppm1      0.221 ppm2      3.842 CV     1
 ASSI {  129}
   (( segid "SAP" and resid 201  and name HA  ))
   (  segid "PAH3" and resid 488  and name HD1%)
      4.500     2.500     1.500 peak   129 spectrum    1 weight  0.10000E+01 volume  0.77200E-03 ppm1      0.223 ppm2      3.664 CV     1
 ASSI {  130}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "PAH3" and resid 488  and name HD1%)
      3.800     1.800     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      0.222 ppm2      7.126 CV     1
 ASSI {  131}
   (( segid "SAP" and resid 196  and name HB  ))
   (  segid "PAH3" and resid 489  and name HG1%)
      4.200     2.200     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      1.108 ppm2      4.048 CV     1
 ASSI {  134}
   (( segid "SAP" and resid 150  and name HG  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      3.900     1.900     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      0.719 ppm2      1.258 CV     1
 ASSI {  136}
   (( segid "SAP" and resid 148  and name HB  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      4.200     2.200     1.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.88918E-03 ppm1      0.715 ppm2      1.821 CV     1
 ASSI {  139}
   (( segid "SAP" and resid 153  and name HN  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      3.900     1.900     1.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17534E-02 ppm1      0.720 ppm2      7.180 CV     1
 ASSI {  141}
   (  segid "SAP" and resid 191  and name HG1%)
   (  segid "PAH3" and resid 485  and name HD1%)
      3.200     1.200     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.29002E-02 ppm1      0.532 ppm2      0.708 CV     1
 OR {  141}
   (  segid "SAP" and resid 191  and name HG2%)
   (  segid "PAH3" and resid 485  and name HD1%)
 ASSI {  142}
   (( segid "SAP" and resid 197  and name HG  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      3.600     1.600     1.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.11883E-02 ppm1      0.536 ppm2      1.470 CV     1
 ASSI {  143}
   (( segid "SAP" and resid 193  and name HG2 ))
   (  segid "PAH3" and resid 485  and name HD1%)
      4.900     3.000     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.74374E-03 ppm1      0.531 ppm2      2.094 CV     1
 ASSI {  144}
   (( segid "SAP" and resid 193  and name HG1 ))
   (  segid "PAH3" and resid 485  and name HD1%)
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.67809E-03 ppm1      0.531 ppm2      2.193 CV     1
 ASSI {  145}
   (( segid "SAP" and resid 196  and name HB  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      3.600     1.600     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.88088E-03 ppm1      0.527 ppm2      4.049 CV     1
 ASSI {  148}
   (( segid "SAP" and resid 160  and name HD1 ))
   (  segid "PAH3" and resid 495  and name HG2%)
      4.900     3.000     1.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.46619E-03 ppm1      0.263 ppm2      3.481 CV     1
 ASSI {  149}
   (( segid "SAP" and resid 161  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG2%)
      4.200     2.200     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      0.284 ppm2      2.655 CV     1
 OR {  149}
   (( segid "SAP" and resid 161  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG2%)
 ASSI {  150}
   (( segid "SAP" and resid 160  and name HD1 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      3.800     1.800     1.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      0.929 ppm2      3.478 CV     1
 ASSI {  151}
   (( segid "SAP" and resid 164  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      4.300     2.300     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.54513E-03 ppm1      0.931 ppm2      2.942 CV     1
 ASSI {  152}
   (( segid "SAP" and resid 161  and name HB2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      2.900     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.30165E-02 ppm1      0.924 ppm2      2.665 CV     1
 OR {  152}
   (( segid "SAP" and resid 161  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG1%)
 ASSI {  154}
   (( segid "SAP" and resid 160  and name HG2 ))
   (  segid "PAH3" and resid 495  and name HG1%)
      3.100     1.200     1.200 peak   154 spectrum    1 weight  0.10000E+01 volume  0.16122E-02 ppm1      0.931 ppm2      1.570 CV     1
 ASSI {  155}
   (  segid "SAP" and resid 161  and name HE% )
   (  segid "PAH3" and resid 490  and name HG2%)
      2.700     0.900     0.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.24431E-02 ppm1      1.329 ppm2      7.243 CV     1
 ASSI {  156}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "PAH3" and resid 490  and name HG2%)
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.36397E-02 ppm1      1.330 ppm2      7.140 CV     1
 ASSI {  157}
   (  segid "SAP" and resid 143  and name HG2%)
   (  segid "PAH3" and resid 480  and name HB% )
      5.500     3.800     0.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.41965E-03 ppm1      1.655 ppm2      0.872 CV     1
 OR {  157}
   (  segid "SAP" and resid 143  and name HD1%)
   (  segid "PAH3" and resid 480  and name HB% )
 ASSI {  159}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "PAH3" and resid 496  and name HG2%)
      4.400     2.400     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.76617E-03 ppm1      0.808 ppm2      6.723 CV     1
 ASSI {  161}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "PAH3" and resid 488  and name HB1 ))
      4.300     2.300     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.57089E-03 ppm1      1.818 ppm2      7.673 CV     1
 ASSI {  163}
   (  segid "SAP" and resid 182  and name HG2%)
   (  segid "PAH3" and resid 490  and name HD1%)
      5.200     3.300     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.40303E-03 ppm1      1.061 ppm2     -0.173 CV     1
 ASSI {  166}
   (  segid "SAP" and resid 186  and name HE% )
   (  segid "PAH3" and resid 490  and name HD1%)
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.45954E-02 ppm1      1.066 ppm2      7.132 CV     1
 ASSI {  167}
   (( segid "SAP" and resid 186  and name HZ  ))
   (  segid "PAH3" and resid 490  and name HD1%)
      5.000     3.100     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.27589E-03 ppm1      1.065 ppm2      7.488 CV     1
 ASSI {  170}
   (  segid "SAP" and resid 196  and name HG2%)
   (  segid "PAH3" and resid 489  and name HG1%)
      2.400     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.70717E-02 ppm1      1.108 ppm2      1.057 CV     1
 ASSI {  171}
   (  segid "SAP" and resid 150  and name HD1%)
   (  segid "PAH3" and resid 504  and name HD2%)
      4.700     2.800     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.92244E-03 ppm1      0.722 ppm2      0.472 CV     1
 ASSI {  174}
   (( segid "SAP" and resid 160  and name HG2 ))
   (  segid "PAH3" and resid 495  and name HG2%)
      3.800     1.800     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.85592E-03 ppm1      0.282 ppm2      1.580 CV     1
 ASSI {  179}
   (( segid "SAP" and resid 160  and name HD1 ))
   (( segid "PAH3" and resid 495  and name HA  ))
      3.000     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25179E-02 ppm1      3.484 ppm2      3.472 CV     1
 ASSI {  180}
   (  segid "SAP" and resid 157  and name HG2%)
   (  segid "PAH3" and resid 496  and name HD1%)
      5.200     3.400     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.64402E-03 ppm1      0.971 ppm2      1.472 CV     1
 ASSI {  181}
   (  segid "SAP" and resid 153  and name HD1%)
   (  segid "PAH3" and resid 496  and name HD1%)
      3.600     1.600     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.19113E-02 ppm1      0.964 ppm2      0.857 CV     1
 ASSI {  182}
   (  segid "SAP" and resid 153  and name HD2%)
   (  segid "PAH3" and resid 496  and name HD1%)
      4.200     2.200     1.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.77446E-03 ppm1      0.958 ppm2      0.736 CV     1
 ASSI {  184}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "PAH3" and resid 507  and name HG2 ))
      4.400     2.400     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.55427E-03 ppm1      1.940 ppm2      0.695 CV     1
 OR {  184}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "PAH3" and resid 507  and name HG1 ))
 ASSI {  186}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "PAH3" and resid 476  and name HD1 ))
      4.000     2.000     2.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.83096E-03 ppm1      3.241 ppm2      0.879 CV     1
 OR {  186}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "PAH3" and resid 476  and name HD2 ))
 OR {  186}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "PAH3" and resid 476  and name HD2 ))
 ASSI {  187}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "PAH3" and resid 511  and name HE1 ))
      3.900     1.900     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.73958E-03 ppm1      2.874 ppm2      0.922 CV     1
 OR {  187}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  191}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "PAH3" and resid 507  and name HG2 ))
      5.000     3.200     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.51688E-03 ppm1      1.937 ppm2      0.979 CV     1
 OR {  191}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "PAH3" and resid 507  and name HG1 ))
 ASSI {  194}
   (( segid "SAP" and resid 191  and name HA  ))
   (  segid "PAH3" and resid 489  and name HG1%)
      3.500     1.600     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.93903E-03 ppm1      1.110 ppm2      3.981 CV     1
 ASSI {  169}
   (( segid "SAP" and resid 189  and name HB  ))
   (( segid "PAH3" and resid 486  and name HE  ))
      3.400     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.10969E-02 ppm1      7.446 ppm2      1.254 CV     1
 ASSI {    1}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "PAH3" and resid 485  and name HA  ))
      3.000     1.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.59720E-02 ppm1      3.450 ppm2      0.542 CV     1
 ASSI {    2}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 501  and name HA  ))
      3.800     1.800     1.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      4.039 ppm2      0.568 CV     1
 ASSI {    3}
   (( segid "PAH3" and resid 528  and name HB1 ))
   (( segid "PAH3" and resid 528  and name HA  ))
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.51748E-02 ppm1      4.197 ppm2      3.809 CV     1
 OR {    3}
   (( segid "PAH3" and resid 528  and name HB2 ))
   (( segid "PAH3" and resid 528  and name HA  ))
 ASSI {    6}
   (( segid "PAH3" and resid 527  and name HB1 ))
   (( segid "PAH3" and resid 527  and name HG1 ))
      2.000     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.23338E-01 ppm1      2.231 ppm2      2.040 CV     1
 OR {    6}
   (( segid "PAH3" and resid 527  and name HB1 ))
   (( segid "PAH3" and resid 527  and name HG2 ))
 ASSI {    7}
   (( segid "PAH3" and resid 527  and name HA  ))
   (( segid "PAH3" and resid 527  and name HG2 ))
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      2.229 ppm2      4.110 CV     1
 OR {    7}
   (( segid "PAH3" and resid 527  and name HA  ))
   (( segid "PAH3" and resid 527  and name HG1 ))
 ASSI {    8}
   (( segid "PAH3" and resid 527  and name HB2 ))
   (( segid "PAH3" and resid 527  and name HB1 ))
      1.500     0.300     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.54357E-01 ppm1      2.041 ppm2      1.856 CV     1
 ASSI {   10}
   (( segid "PAH3" and resid 527  and name HG2 ))
   (( segid "PAH3" and resid 527  and name HB2 ))
      2.300     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11741E-01 ppm1      1.855 ppm2      2.227 CV     1
 OR {   10}
   (( segid "PAH3" and resid 527  and name HG1 ))
   (( segid "PAH3" and resid 527  and name HB2 ))
 ASSI {   14}
   (( segid "PAH3" and resid 527  and name HB2 ))
   (( segid "PAH3" and resid 527  and name HA  ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.38122E-02 ppm1      4.111 ppm2      1.854 CV     1
 ASSI {   15}
   (( segid "PAH3" and resid 527  and name HB1 ))
   (( segid "PAH3" and resid 527  and name HA  ))
      2.600     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      4.109 ppm2      2.042 CV     1
 ASSI {   17}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HE2 ))
      2.700     0.900     0.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.45877E-02 ppm1      2.900 ppm2      1.256 CV     1
 OR {   17}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HE1 ))
 OR {   17}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HE1 ))
 OR {   17}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HE2 ))
 ASSI {   18}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HE2 ))
      4.600     2.600     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.26454E-03 ppm1      2.897 ppm2      4.226 CV     1
 OR {   18}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HE1 ))
 ASSI {   20}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HD1 ))
      2.000     0.500     0.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.20511E-01 ppm1      1.571 ppm2      1.266 CV     1
 OR {   20}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HD2 ))
 OR {   20}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HD2 ))
 OR {   20}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HD1 ))
 ASSI {   21}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HD2 ))
      3.400     1.500     1.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      1.575 ppm2      4.227 CV     1
 OR {   21}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HD1 ))
 ASSI {   22}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HG1 ))
      2.000     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.22975E-01 ppm1      1.257 ppm2      1.548 CV     1
 OR {   22}
   (( segid "PAH3" and resid 526  and name HD1 ))
   (( segid "PAH3" and resid 526  and name HG2 ))
 OR {   22}
   (( segid "PAH3" and resid 526  and name HD2 ))
   (( segid "PAH3" and resid 526  and name HG2 ))
 OR {   22}
   (( segid "PAH3" and resid 526  and name HD1 ))
   (( segid "PAH3" and resid 526  and name HG1 ))
 OR {   22}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HG2 ))
 ASSI {   23}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HG2 ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.67693E-02 ppm1      1.256 ppm2      1.681 CV     1
 OR {   23}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HG1 ))
 ASSI {   25}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HG2 ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.36311E-02 ppm1      1.258 ppm2      4.224 CV     1
 OR {   25}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HG1 ))
 ASSI {   27}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HB2 ))
      2.300     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.79001E-02 ppm1      1.540 ppm2      1.260 CV     1
 OR {   27}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HB2 ))
 ASSI {   28}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HB2 ))
      2.900     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.30585E-02 ppm1      1.540 ppm2      4.224 CV     1
 ASSI {   30}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 526  and name HA  ))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.69360E-03 ppm1      4.222 ppm2     -1.111 CV     1
 ASSI {   33}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HA  ))
      2.400     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.68273E-02 ppm1      4.227 ppm2      1.679 CV     1
 ASSI {   36}
   (( segid "PAH3" and resid 525  and name HB2 ))
   (( segid "PAH3" and resid 525  and name HA  ))
      2.300     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.61750E-02 ppm1      4.316 ppm2      2.555 CV     1
 ASSI {   37}
   (( segid "PAH3" and resid 525  and name HB1 ))
   (( segid "PAH3" and resid 525  and name HA  ))
      2.900     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.34716E-02 ppm1      4.316 ppm2      2.759 CV     1
 ASSI {   38}
   (( segid "PAH3" and resid 524  and name HA2 ))
   (( segid "PAH3" and resid 524  and name HA1 ))
      1.900     0.400     0.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17612E-01 ppm1      3.870 ppm2      3.677 CV     1
 ASSI {   41}
   (( segid "PAH3" and resid 523  and name HG  ))
   (  segid "PAH3" and resid 523  and name HD2%)
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.20148E-01 ppm1      0.360 ppm2      1.358 CV     1
 ASSI {   42}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD2%)
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.52618E-02 ppm1      0.358 ppm2      1.576 CV     1
 ASSI {   43}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (  segid "PAH3" and resid 523  and name HD2%)
      4.300     2.300     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.49791E-03 ppm1      0.359 ppm2      1.813 CV     1
 ASSI {   46}
   (  segid "PAH3" and resid 522  and name HD% )
   (  segid "PAH3" and resid 523  and name HD1%)
      4.100     2.100     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.29136E-03 ppm1      0.497 ppm2     -1.175 CV     1
 ASSI {   47}
   (  segid "PAH3" and resid 523  and name HD2%)
   (  segid "PAH3" and resid 523  and name HD1%)
      1.900     0.500     0.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.25367E-01 ppm1      0.497 ppm2      0.356 CV     1
 ASSI {   48}
   (( segid "PAH3" and resid 523  and name HG  ))
   (  segid "PAH3" and resid 523  and name HD1%)
      2.300     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.78276E-02 ppm1      0.496 ppm2      1.355 CV     1
 ASSI {   49}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.28556E-02 ppm1      0.496 ppm2      1.578 CV     1
 ASSI {   51}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      0.493 ppm2      1.737 CV     1
 ASSI {   53}
   (( segid "PAH3" and resid 523  and name HA  ))
   (  segid "PAH3" and resid 523  and name HD1%)
      2.500     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.62185E-02 ppm1      0.494 ppm2      3.694 CV     1
 ASSI {   55}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (( segid "PAH3" and resid 523  and name HG  ))
      2.800     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.21380E-02 ppm1      1.366 ppm2      1.580 CV     1
 ASSI {   56}
   (  segid "PAH3" and resid 523  and name HD2%)
   (( segid "PAH3" and resid 523  and name HB2 ))
      3.100     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      1.305 ppm2      0.359 CV     1
 ASSI {   58}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 523  and name HA  ))
      2.600     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.45152E-02 ppm1      3.692 ppm2      1.327 CV     1
 OR {   58}
   (( segid "PAH3" and resid 523  and name HG  ))
   (( segid "PAH3" and resid 523  and name HA  ))
 ASSI {   59}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (( segid "PAH3" and resid 523  and name HA  ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.23989E-02 ppm1      3.698 ppm2      1.577 CV     1
 ASSI {   61}
   (( segid "PAH3" and resid 522  and name HB1 ))
   (( segid "PAH3" and resid 522  and name HA  ))
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      3.815 ppm2      2.522 CV     1
 ASSI {   62}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HB1 ))
      1.600     0.300     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.36818E-01 ppm1      2.708 ppm2      2.550 CV     1
 ASSI {   64}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 521  and name HB2 ))
      3.300     1.300     1.300 peak    64 spectrum    1 weight  0.10000E+01 volume  0.18482E-02 ppm1      2.555 ppm2      4.027 CV     1
 ASSI {   68}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HA  ))
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.68490E-02 ppm1      4.351 ppm2      2.551 CV     1
 ASSI {   69}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HA  ))
      2.600     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.68635E-02 ppm1      4.350 ppm2      2.708 CV     1
 ASSI {   71}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 519  and name HA  ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.47255E-02 ppm1      3.885 ppm2      3.605 CV     1
 OR {   71}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 519  and name HA  ))
 ASSI {   72}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HA  ))
      2.900     1.100     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      4.037 ppm2      2.705 CV     1
 ASSI {   73}
   (( segid "PAH3" and resid 518  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HA  ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.28846E-02 ppm1      4.033 ppm2      3.637 CV     1
 ASSI {   74}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 517  and name HB2 ))
      1.600     0.300     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.32397E-01 ppm1      2.840 ppm2      3.026 CV     1
 ASSI {   75}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 517  and name HB2 ))
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23048E-02 ppm1      2.841 ppm2      4.332 CV     1
 ASSI {   78}
   (( segid "PAH3" and resid 517  and name HA  ))
   (( segid "PAH3" and resid 517  and name HB1 ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.50371E-02 ppm1      3.018 ppm2      4.410 CV     1
 ASSI {   79}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HA  ))
      2.700     0.900     0.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.21018E-02 ppm1      4.413 ppm2      1.861 CV     1
 ASSI {   80}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (( segid "PAH3" and resid 517  and name HA  ))
      3.700     1.700     1.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.60518E-03 ppm1      4.411 ppm2      1.211 CV     1
 ASSI {   81}
   (( segid "PAH3" and resid 517  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HA  ))
      2.400     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.61823E-02 ppm1      4.415 ppm2      2.837 CV     1
 ASSI {   84}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 516  and name HA  ))
      3.400     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.73201E-03 ppm1      4.881 ppm2      3.604 CV     1
 OR {   84}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 516  and name HA  ))
 ASSI {   86}
   (  segid "PAH3" and resid 515  and name HD1%)
   (  segid "PAH3" and resid 515  and name HD2%)
      2.200     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      0.448 ppm2      0.717 CV     1
 ASSI {   89}
   (( segid "PAH3" and resid 515  and name HG  ))
   (  segid "PAH3" and resid 515  and name HD2%)
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.48415E-02 ppm1      0.447 ppm2      1.848 CV     1
 ASSI {   92}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (  segid "PAH3" and resid 515  and name HD2%)
      3.100     1.200     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.14568E-02 ppm1      0.451 ppm2      3.091 CV     1
 ASSI {   93}
   (( segid "PAH3" and resid 512  and name HB1 ))
   (  segid "PAH3" and resid 515  and name HD2%)
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.15075E-02 ppm1      0.448 ppm2      3.218 CV     1
 ASSI {   97}
   (( segid "PAH3" and resid 515  and name HG  ))
   (  segid "PAH3" and resid 515  and name HD1%)
      2.100     0.600     0.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.98566E-02 ppm1      0.718 ppm2      1.843 CV     1
 ASSI {   98}
   (( segid "PAH3" and resid 515  and name HB1 ))
   (  segid "PAH3" and resid 515  and name HD1%)
      3.900     1.900     1.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.89150E-03 ppm1      0.722 ppm2      2.304 CV     1
 ASSI {   99}
   (( segid "PAH3" and resid 470  and name HE1 ))
   (  segid "PAH3" and resid 515  and name HD1%)
      3.500     1.600     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.39065E-03 ppm1      0.716 ppm2      2.795 CV     1
 OR {   99}
   (( segid "PAH3" and resid 470  and name HE2 ))
   (  segid "PAH3" and resid 515  and name HD1%)
 ASSI {  100}
   (  segid "PAH3" and resid 467  and name HD% )
   (  segid "PAH3" and resid 515  and name HD1%)
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.25802E-02 ppm1      0.719 ppm2      5.890 CV     1
 ASSI {  102}
   (( segid "PAH3" and resid 514  and name HB2 ))
   (( segid "PAH3" and resid 514  and name HG1 ))
      2.100     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19931E-01 ppm1      2.473 ppm2      2.173 CV     1
 OR {  102}
   (( segid "PAH3" and resid 514  and name HB1 ))
   (( segid "PAH3" and resid 514  and name HG1 ))
 ASSI {  103}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 514  and name HG2 ))
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      2.380 ppm2      4.332 CV     1
 ASSI {  104}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 514  and name HG1 ))
      3.200     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.18264E-02 ppm1      2.469 ppm2      4.332 CV     1
 ASSI {  105}
   (( segid "PAH3" and resid 514  and name HG2 ))
   (( segid "PAH3" and resid 514  and name HB1 ))
      2.000     0.500     0.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.20728E-01 ppm1      2.171 ppm2      2.373 CV     1
 OR {  105}
   (( segid "PAH3" and resid 514  and name HG2 ))
   (( segid "PAH3" and resid 514  and name HB2 ))
 ASSI {  106}
   (( segid "PAH3" and resid 514  and name HB1 ))
   (( segid "PAH3" and resid 514  and name HA  ))
      2.200     0.600     0.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.13190E-01 ppm1      4.332 ppm2      2.171 CV     1
 OR {  106}
   (( segid "PAH3" and resid 514  and name HB2 ))
   (( segid "PAH3" and resid 514  and name HA  ))
 ASSI {  110}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 514  and name HA  ))
      2.800     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.25294E-02 ppm1      4.330 ppm2      3.021 CV     1
 ASSI {  111}
   (( segid "PAH3" and resid 513  and name HG2 ))
   (( segid "PAH3" and resid 513  and name HD2 ))
      2.700     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.24642E-02 ppm1      3.574 ppm2      2.081 CV     1
 ASSI {  113}
   (( segid "PAH3" and resid 513  and name HG1 ))
   (( segid "PAH3" and resid 513  and name HD1 ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.17177E-02 ppm1      3.888 ppm2      2.215 CV     1
 ASSI {  114}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 513  and name HD1 ))
      1.900     0.400     0.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.12756E-01 ppm1      3.886 ppm2      3.576 CV     1
 ASSI {  116}
   (( segid "PAH3" and resid 512  and name HA  ))
   (( segid "PAH3" and resid 513  and name HD2 ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.32469E-02 ppm1      3.574 ppm2      5.214 CV     1
 ASSI {  117}
   (( segid "PAH3" and resid 512  and name HA  ))
   (( segid "PAH3" and resid 513  and name HD1 ))
      2.800     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.36601E-02 ppm1      3.882 ppm2      5.214 CV     1
 ASSI {  118}
   (( segid "PAH3" and resid 513  and name HG2 ))
   (( segid "PAH3" and resid 513  and name HG1 ))
      1.700     0.400     0.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.24714E-01 ppm1      2.214 ppm2      2.072 CV     1
 OR {  118}
   (( segid "PAH3" and resid 513  and name HB2 ))
   (( segid "PAH3" and resid 513  and name HG1 ))
 ASSI {  119}
   (( segid "PAH3" and resid 513  and name HB1 ))
   (( segid "PAH3" and resid 513  and name HG2 ))
      2.900     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.46747E-02 ppm1      2.077 ppm2      2.505 CV     1
 ASSI {  121}
   (( segid "PAH3" and resid 513  and name HA  ))
   (( segid "PAH3" and resid 513  and name HG1 ))
      4.700     2.800     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.31600E-03 ppm1      2.210 ppm2      4.330 CV     1
 ASSI {  123}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.800     1.800     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      1.099 ppm2     -0.775 CV     1
 ASSI {  124}
   (( segid "PAH3" and resid 513  and name HB2 ))
   (( segid "PAH3" and resid 513  and name HB1 ))
      1.800     0.400     0.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.19207E-01 ppm1      2.507 ppm2      2.090 CV     1
 ASSI {  125}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 475  and name HD1%)
      2.900     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.42978E-02 ppm1      0.994 ppm2     -0.793 CV     1
 ASSI {  126}
   (( segid "PAH3" and resid 513  and name HG1 ))
   (( segid "PAH3" and resid 513  and name HB1 ))
      2.600     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.26889E-02 ppm1      2.510 ppm2      2.211 CV     1
 ASSI {  127}
   (( segid "PAH3" and resid 513  and name HB2 ))
   (( segid "PAH3" and resid 513  and name HA  ))
      2.900     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.39355E-02 ppm1      4.327 ppm2      2.091 CV     1
 ASSI {  128}
   (( segid "PAH3" and resid 513  and name HB1 ))
   (( segid "PAH3" and resid 513  and name HA  ))
      2.500     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.43051E-02 ppm1      4.327 ppm2      2.500 CV     1
 ASSI {  129}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 513  and name HA  ))
      4.000     2.000     2.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.58779E-03 ppm1      4.328 ppm2      3.578 CV     1
 ASSI {  130}
   (( segid "PAH3" and resid 516  and name HB1 ))
   (( segid "PAH3" and resid 513  and name HA  ))
      2.600     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.38557E-02 ppm1      4.329 ppm2      3.420 CV     1
 OR {  130}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 513  and name HA  ))
 ASSI {  131}
   (( segid "PAH3" and resid 512  and name HB1 ))
   (( segid "PAH3" and resid 512  and name HA  ))
      2.700     0.900     0.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.20511E-02 ppm1      5.216 ppm2      3.211 CV     1
 ASSI {  134}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
      2.900     1.000     1.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.29426E-02 ppm1      2.873 ppm2      0.831 CV     1
 OR {  134}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
 ASSI {  135}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
      2.900     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.33774E-02 ppm1      2.872 ppm2      0.966 CV     1
 OR {  135}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  136}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HE1 ))
      3.500     1.500     1.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      2.873 ppm2      1.114 CV     1
 OR {  136}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  137}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HD2 ))
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.79001E-02 ppm1      1.476 ppm2      0.835 CV     1
 OR {  137}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HD1 ))
 ASSI {  138}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HD1 ))
      2.600     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.36746E-02 ppm1      1.479 ppm2      1.114 CV     1
 OR {  138}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {  139}
   (( segid "PAH3" and resid 511  and name HA  ))
   (( segid "PAH3" and resid 511  and name HD1 ))
      3.700     1.800     1.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      1.481 ppm2      4.006 CV     1
 OR {  139}
   (( segid "PAH3" and resid 511  and name HA  ))
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {  140}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 511  and name HG2 ))
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.40804E-02 ppm1      0.832 ppm2      1.224 CV     1
 ASSI {  141}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 511  and name HG1 ))
      2.600     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.59793E-02 ppm1      0.958 ppm2      1.219 CV     1
 ASSI {  142}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HG2 ))
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.81900E-02 ppm1      0.833 ppm2      1.114 CV     1
 ASSI {  144}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "PAH3" and resid 511  and name HG1 ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.52763E-02 ppm1      0.958 ppm2      1.473 CV     1
 OR {  144}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HG1 ))
 ASSI {  147}
   (( segid "PAH3" and resid 511  and name HA  ))
   (( segid "PAH3" and resid 511  and name HG2 ))
      3.500     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      0.830 ppm2      4.007 CV     1
 ASSI {  152}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "PAH3" and resid 511  and name HB1 ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.28701E-02 ppm1      1.231 ppm2      1.471 CV     1
 OR {  152}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HB1 ))
 ASSI {  156}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HA  ))
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      4.011 ppm2      0.961 CV     1
 ASSI {  157}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HA  ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.55372E-02 ppm1      4.006 ppm2      1.119 CV     1
 ASSI {  158}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 511  and name HA  ))
      2.400     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.63272E-02 ppm1      4.007 ppm2      1.229 CV     1
 ASSI {  160}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HA  ))
      3.300     1.400     1.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.57764E-03 ppm1      4.006 ppm2      3.581 CV     1
 ASSI {  161}
   (  segid "PAH3" and resid 471  and name HG2%)
   (  segid "PAH3" and resid 509  and name HD2%)
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.54212E-02 ppm1      0.482 ppm2     -0.014 CV     1
 ASSI {  162}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 509  and name HD2%)
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.54212E-02 ppm1      0.484 ppm2      0.200 CV     1
 ASSI {  163}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (  segid "PAH3" and resid 509  and name HD2%)
      3.200     3.200     2.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.20076E-02 ppm1      0.486 ppm2      1.468 CV     1
 OR {  163}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (  segid "PAH3" and resid 509  and name HD2%)
 ASSI {  164}
   (( segid "PAH3" and resid 509  and name HG  ))
   (  segid "PAH3" and resid 509  and name HD2%)
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.48631E-02 ppm1      0.485 ppm2      1.388 CV     1
 ASSI {  165}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (  segid "PAH3" and resid 509  and name HD2%)
      3.900     1.900     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.55227E-03 ppm1      0.486 ppm2      2.967 CV     1
 ASSI {  167}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (  segid "PAH3" and resid 509  and name HD1%)
      2.900     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.20583E-02 ppm1      0.617 ppm2      1.171 CV     1
 ASSI {  168}
   (  segid "PAH3" and resid 505  and name HG1%)
   (  segid "PAH3" and resid 509  and name HD1%)
      2.500     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.45152E-02 ppm1      0.618 ppm2      1.101 CV     1
 ASSI {  169}
   (( segid "PAH3" and resid 509  and name HG  ))
   (  segid "PAH3" and resid 509  and name HD1%)
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.27251E-02 ppm1      0.617 ppm2      1.389 CV     1
 ASSI {  170}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (  segid "PAH3" and resid 509  and name HD1%)
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      0.616 ppm2      3.594 CV     1
 OR {  170}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (  segid "PAH3" and resid 509  and name HD1%)
 ASSI {  171}
   (( segid "PAH3" and resid 516  and name HA  ))
   (  segid "PAH3" and resid 509  and name HD1%)
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14423E-02 ppm1      0.617 ppm2      4.889 CV     1
 ASSI {  174}
   (( segid "PAH3" and resid 458  and name HG1 ))
   (( segid "PAH3" and resid 458  and name HA  ))
      3.100     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.17829E-02 ppm1      4.284 ppm2      1.331 CV     1
 OR {  174}
   (( segid "PAH3" and resid 458  and name HG2 ))
   (( segid "PAH3" and resid 458  and name HA  ))
 ASSI {  175}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 509  and name HB2 ))
      3.200     1.300     1.300 peak   175 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      0.800 ppm2      0.619 CV     1
 ASSI {  176}
   (( segid "PAH3" and resid 458  and name HG1 ))
   (( segid "PAH3" and resid 458  and name HD2 ))
      2.100     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.14423E-01 ppm1      1.639 ppm2      1.352 CV     1
 OR {  176}
   (( segid "PAH3" and resid 458  and name HG2 ))
   (( segid "PAH3" and resid 458  and name HD1 ))
 OR {  176}
   (( segid "PAH3" and resid 458  and name HG1 ))
   (( segid "PAH3" and resid 458  and name HD1 ))
 OR {  176}
   (( segid "PAH3" and resid 458  and name HG2 ))
   (( segid "PAH3" and resid 458  and name HD2 ))
 ASSI {  177}
   (( segid "PAH3" and resid 509  and name HB2 ))
   (( segid "PAH3" and resid 509  and name HB1 ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.32687E-02 ppm1      1.177 ppm2      0.798 CV     1
 ASSI {  179}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (( segid "PAH3" and resid 509  and name HA  ))
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      4.479 ppm2      1.160 CV     1
 ASSI {  181}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (( segid "PAH3" and resid 508  and name HA  ))
      2.900     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.32179E-02 ppm1      4.370 ppm2      2.960 CV     1
 ASSI {  182}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HA  ))
      2.900     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      4.368 ppm2      3.152 CV     1
 ASSI {  183}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HD2 ))
      3.700     1.700     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      3.677 ppm2      4.264 CV     1
 OR {  183}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HD2 ))
 ASSI {  184}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 461  and name HA  ))
      2.300     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.10147E-01 ppm1      4.253 ppm2      0.978 CV     1
 OR {  184}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "PAH3" and resid 461  and name HA  ))
 ASSI {  185}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HA  ))
      3.000     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      4.258 ppm2      1.077 CV     1
 ASSI {  186}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 461  and name HB  ))
      2.100     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.15655E-01 ppm1      2.173 ppm2      0.981 CV     1
 OR {  186}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "PAH3" and resid 461  and name HB  ))
 ASSI {  187}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 506  and name HB2 ))
      2.100     0.600     0.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11814E-01 ppm1      4.257 ppm2      4.126 CV     1
 OR {  187}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 506  and name HB1 ))
 ASSI {  188}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 505  and name HG2%)
      3.800     1.800     1.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.70664E-03 ppm1      1.041 ppm2     -0.755 CV     1
 ASSI {  189}
   (( segid "PAH3" and resid 461  and name HA  ))
   (  segid "PAH3" and resid 461  and name HG2%)
      2.900     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.31020E-02 ppm1      0.985 ppm2      4.255 CV     1
 ASSI {  190}
   (( segid "PAH3" and resid 460  and name HA1 ))
   (  segid "PAH3" and resid 461  and name HG2%)
      4.200     2.200     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.49646E-03 ppm1      0.985 ppm2      4.005 CV     1
 OR {  190}
   (( segid "PAH3" and resid 460  and name HA2 ))
   (  segid "PAH3" and resid 461  and name HG2%)
 ASSI {  191}
   (( segid "PAH3" and resid 461  and name HB  ))
   (  segid "PAH3" and resid 461  and name HG2%)
      2.500     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.53487E-02 ppm1      0.985 ppm2      2.166 CV     1
 ASSI {  192}
   (  segid "PAH3" and resid 463  and name HG2%)
   (( segid "PAH3" and resid 463  and name HA  ))
      2.500     0.800     0.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.68563E-02 ppm1      4.308 ppm2      1.296 CV     1
 ASSI {  193}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (( segid "PAH3" and resid 463  and name HA  ))
      3.200     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      4.311 ppm2      1.591 CV     1
 ASSI {  194}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 463  and name HA  ))
      3.500     1.600     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      4.304 ppm2      0.937 CV     1
 ASSI {  195}
   (  segid "PAH3" and resid 463  and name HG2%)
   (( segid "PAH3" and resid 463  and name HB  ))
      2.100     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.13698E-01 ppm1      4.449 ppm2      1.299 CV     1
 ASSI {  199}
   (( segid "PAH3" and resid 518  and name HH2 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      3.400     1.400     1.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.88425E-03 ppm1      4.077 ppm2      5.961 CV     1
 ASSI {  200}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      3.200     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      4.082 ppm2     -0.930 CV     1
 ASSI {  201}
   (( segid "PAH3" and resid 464  and name HA  ))
   (( segid "PAH3" and resid 464  and name HB2 ))
      3.800     1.800     1.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.62475E-03 ppm1      2.058 ppm2      4.073 CV     1
 ASSI {  203}
   (( segid "PAH3" and resid 465  and name HB2 ))
   (( segid "PAH3" and resid 465  and name HA  ))
      2.100     0.500     0.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.17394E-01 ppm1      4.318 ppm2      3.981 CV     1
 OR {  203}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (( segid "PAH3" and resid 465  and name HA  ))
 ASSI {  205}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 466  and name HA  ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.54792E-02 ppm1      4.149 ppm2      1.752 CV     1
 ASSI {  206}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (( segid "PAH3" and resid 466  and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.71244E-02 ppm1      4.149 ppm2      1.599 CV     1
 OR {  206}
   (( segid "PAH3" and resid 466  and name HG  ))
   (( segid "PAH3" and resid 466  and name HA  ))
 ASSI {  207}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 466  and name HA  ))
      2.400     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.70882E-02 ppm1      4.149 ppm2      0.910 CV     1
 ASSI {  208}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 466  and name HB2 ))
      2.500     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.37253E-02 ppm1      1.580 ppm2      4.145 CV     1
 ASSI {  211}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 466  and name HB1 ))
      2.500     0.800     0.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.58054E-02 ppm1      1.754 ppm2      0.913 CV     1
 OR {  211}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 466  and name HB1 ))
 ASSI {  212}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 466  and name HB2 ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.49356E-02 ppm1      1.580 ppm2      0.912 CV     1
 OR {  212}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 466  and name HB2 ))
 ASSI {  217}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (  segid "PAH3" and resid 466  and name HD1%)
      3.000     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.56169E-02 ppm1      0.941 ppm2      1.751 CV     1
 ASSI {  218}
   (( segid "PAH3" and resid 466  and name HG  ))
   (  segid "PAH3" and resid 466  and name HD1%)
      2.200     0.600     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.11814E-01 ppm1      0.942 ppm2      1.611 CV     1
 OR {  218}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (  segid "PAH3" and resid 466  and name HD1%)
 ASSI {  219}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (  segid "PAH3" and resid 466  and name HD1%)
      3.300     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20656E-02 ppm1      0.941 ppm2      1.301 CV     1
 ASSI {  221}
   (( segid "PAH3" and resid 463  and name HA  ))
   (  segid "PAH3" and resid 466  and name HD2%)
      3.500     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      0.887 ppm2      4.303 CV     1
 ASSI {  222}
   (( segid "PAH3" and resid 466  and name HA  ))
   (  segid "PAH3" and resid 466  and name HD2%)
      3.000     1.100     1.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.76101E-02 ppm1      0.884 ppm2      4.144 CV     1
 ASSI {  224}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (  segid "PAH3" and resid 466  and name HD2%)
      2.700     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.36746E-02 ppm1      0.885 ppm2      1.752 CV     1
 ASSI {  227}
   (( segid "PAH3" and resid 501  and name HB2 ))
   (  segid "PAH3" and resid 501  and name HD1%)
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.27613E-02 ppm1      0.886 ppm2      1.426 CV     1
 ASSI {  228}
   (( segid "PAH3" and resid 467  and name HB2 ))
   (( segid "PAH3" and resid 467  and name HA  ))
      2.300     0.700     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.68055E-02 ppm1      3.537 ppm2      1.568 CV     1
 ASSI {  231}
   (( segid "PAH3" and resid 467  and name HB1 ))
   (( segid "PAH3" and resid 467  and name HB2 ))
      2.000     0.500     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.84800E-02 ppm1      1.580 ppm2      2.137 CV     1
 ASSI {  233}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (( segid "PAH3" and resid 468  and name HA  ))
      2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.56096E-02 ppm1      3.698 ppm2      3.584 CV     1
 ASSI {  234}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 468  and name HA  ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.48921E-02 ppm1      3.697 ppm2      1.777 CV     1
 ASSI {  235}
   (( segid "PAH3" and resid 469  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HA  ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.58779E-02 ppm1      4.274 ppm2      2.740 CV     1
 ASSI {  236}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HA  ))
      2.400     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.57836E-02 ppm1      4.273 ppm2      2.588 CV     1
 ASSI {  237}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 469  and name HA  ))
      3.600     1.600     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.94941E-03 ppm1      4.274 ppm2      2.875 CV     1
 OR {  237}
   (( segid "PAH3" and resid 472  and name HD2 ))
   (( segid "PAH3" and resid 469  and name HA  ))
 ASSI {  238}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HA  ))
      2.800     1.000     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      4.276 ppm2      1.446 CV     1
 ASSI {  239}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HA  ))
      3.200     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      4.269 ppm2      1.004 CV     1
 ASSI {  242}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 469  and name HB2 ))
      3.000     1.200     1.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.26019E-02 ppm1      2.587 ppm2      4.150 CV     1
 ASSI {  244}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HB1 ))
      1.600     0.300     0.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45660E-01 ppm1      2.739 ppm2      2.584 CV     1
 ASSI {  246}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HA  ))
      2.800     1.000     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.20366E-02 ppm1      3.696 ppm2      1.782 CV     1
 ASSI {  247}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HA  ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.11016E-01 ppm1      3.694 ppm2      1.536 CV     1
 OR {  247}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (( segid "PAH3" and resid 470  and name HA  ))
 ASSI {  249}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 471  and name HA  ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.10000E+01 volume  0.19786E-02 ppm1      2.869 ppm2      1.787 CV     1
 ASSI {  250}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 471  and name HA  ))
      2.600     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.41384E-02 ppm1      2.868 ppm2      0.451 CV     1
 ASSI {  251}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 471  and name HA  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.51169E-02 ppm1      2.870 ppm2      0.302 CV     1
 ASSI {  252}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 471  and name HA  ))
      2.500     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.51603E-02 ppm1      2.869 ppm2      0.197 CV     1
 ASSI {  253}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "PAH3" and resid 471  and name HA  ))
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.52038E-02 ppm1      2.868 ppm2     -0.014 CV     1
 ASSI {  257}
   (( segid "PAH3" and resid 468  and name HA  ))
   (  segid "PAH3" and resid 471  and name HG1%)
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.47255E-03 ppm1      0.199 ppm2      3.694 CV     1
 ASSI {  261}
   (( segid "PAH3" and resid 471  and name HB  ))
   (  segid "PAH3" and resid 471  and name HG1%)
      2.100     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11089E-01 ppm1      0.203 ppm2      1.787 CV     1
 ASSI {  264}
   (  segid "PAH3" and resid 475  and name HD2%)
   (  segid "PAH3" and resid 471  and name HG1%)
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.73926E-02 ppm1      0.203 ppm2      0.677 CV     1
 ASSI {  266}
   (  segid "PAH3" and resid 471  and name HG2%)
   (  segid "PAH3" and resid 471  and name HG1%)
      2.100     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.13408E-01 ppm1      0.203 ppm2     -0.014 CV     1
 ASSI {  267}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 505  and name HG2%)
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.16090E-02 ppm1      1.040 ppm2      0.163 CV     1
 ASSI {  270}
   (( segid "PAH3" and resid 471  and name HB  ))
   (  segid "PAH3" and resid 471  and name HG2%)
      2.300     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.67113E-02 ppm1     -0.013 ppm2      1.777 CV     1
 ASSI {  272}
   (  segid "PAH3" and resid 515  and name HD1%)
   (  segid "PAH3" and resid 471  and name HG2%)
      2.800     1.000     1.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.24932E-02 ppm1     -0.018 ppm2      0.716 CV     1
 ASSI {  273}
   (  segid "PAH3" and resid 509  and name HD1%)
   (  segid "PAH3" and resid 471  and name HG2%)
      3.300     1.300     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.13698E-02 ppm1     -0.015 ppm2      0.609 CV     1
 ASSI {  276}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HA  ))
      2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.35803E-02 ppm1      3.095 ppm2      0.832 CV     1
 OR {  276}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HA  ))
 ASSI {  281}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HB2 ))
      1.800     0.400     0.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14495E-01 ppm1      1.008 ppm2      1.452 CV     1
 ASSI {  282}
   (( segid "PAH3" and resid 472  and name HD2 ))
   (( segid "PAH3" and resid 472  and name HG1 ))
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.59575E-02 ppm1      0.866 ppm2      2.879 CV     1
 OR {  282}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 472  and name HG1 ))
 ASSI {  283}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 472  and name HG2 ))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.61823E-02 ppm1      0.803 ppm2      2.879 CV     1
 OR {  283}
   (( segid "PAH3" and resid 472  and name HD2 ))
   (( segid "PAH3" and resid 472  and name HG2 ))
 ASSI {  284}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HG2 ))
      2.900     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      0.803 ppm2      1.456 CV     1
 ASSI {  285}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HD1 ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.35513E-02 ppm1      2.883 ppm2      1.453 CV     1
 OR {  285}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HD2 ))
 ASSI {  286}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HD1 ))
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      2.883 ppm2      1.007 CV     1
 OR {  286}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HD2 ))
 ASSI {  287}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HD2 ))
      2.000     0.500     0.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.17829E-01 ppm1      2.881 ppm2      0.826 CV     1
 OR {  287}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HD1 ))
 OR {  287}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HD1 ))
 OR {  287}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HD2 ))
 ASSI {  288}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HA  ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.78276E-02 ppm1      3.811 ppm2      1.692 CV     1
 ASSI {  289}
   (( segid "PAH3" and resid 473  and name HB2 ))
   (( segid "PAH3" and resid 473  and name HA  ))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.63272E-02 ppm1      3.811 ppm2      1.600 CV     1
 ASSI {  290}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HA  ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.22613E-02 ppm1      3.811 ppm2      1.407 CV     1
 ASSI {  291}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HA  ))
      2.900     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.34281E-02 ppm1      3.813 ppm2      1.276 CV     1
 ASSI {  295}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HB2 ))
      3.000     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.25729E-02 ppm1      1.607 ppm2      1.275 CV     1
 ASSI {  298}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HG2 ))
      2.600     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.37905E-02 ppm1      1.280 ppm2      3.692 CV     1
 ASSI {  301}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HG1 ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      1.408 ppm2      1.684 CV     1
 ASSI {  302}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HG2 ))
      2.200     0.600     0.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.74651E-02 ppm1      1.277 ppm2      1.680 CV     1
 ASSI {  303}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HE2 ))
      2.600     0.900     0.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.48342E-02 ppm1      2.859 ppm2      1.275 CV     1
 OR {  303}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HE1 ))
 ASSI {  304}
   (  segid "PAH3" and resid 509  and name HD1%)
   (  segid "PAH3" and resid 505  and name HG2%)
      3.100     1.200     1.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      1.038 ppm2      0.615 CV     1
 ASSI {  305}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (  segid "PAH3" and resid 505  and name HG2%)
      3.300     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      1.043 ppm2      2.205 CV     1
 ASSI {  307}
   (  segid "PAH3" and resid 475  and name HD1%)
   (  segid "PAH3" and resid 474  and name HB% )
      3.600     1.600     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.79001E-03 ppm1      0.303 ppm2      0.992 CV     1
 ASSI {  308}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 475  and name HA  ))
      2.800     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.39065E-02 ppm1      4.143 ppm2      1.513 CV     1
 ASSI {  311}
   (( segid "PAH3" and resid 508  and name HA  ))
   (  segid "PAH3" and resid 475  and name HD1%)
      3.400     1.500     1.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      0.994 ppm2      4.375 CV     1
 ASSI {  312}
   (( segid "PAH3" and resid 475  and name HA  ))
   (  segid "PAH3" and resid 475  and name HD1%)
      2.200     0.600     0.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.11234E-01 ppm1      0.994 ppm2      4.140 CV     1
 ASSI {  313}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (  segid "PAH3" and resid 475  and name HD1%)
      2.900     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.16307E-02 ppm1      0.993 ppm2      3.157 CV     1
 ASSI {  314}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (  segid "PAH3" and resid 475  and name HD1%)
      3.800     1.800     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12176E-02 ppm1      0.994 ppm2      2.973 CV     1
 ASSI {  315}
   (( segid "PAH3" and resid 475  and name HG  ))
   (  segid "PAH3" and resid 475  and name HD1%)
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.82625E-02 ppm1      0.993 ppm2      1.821 CV     1
 ASSI {  316}
   (  segid "PAH3" and resid 480  and name HB% )
   (  segid "PAH3" and resid 475  and name HD1%)
      3.100     1.200     1.200 peak   316 spectrum    1 weight  0.10000E+01 volume  0.41601E-02 ppm1      0.993 ppm2      1.659 CV     1
 ASSI {  317}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (  segid "PAH3" and resid 475  and name HD1%)
      2.600     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.39862E-02 ppm1      0.995 ppm2      1.506 CV     1
 ASSI {  318}
   (( segid "PAH3" and resid 505  and name HB  ))
   (  segid "PAH3" and resid 505  and name HG2%)
      2.300     0.700     0.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.65084E-02 ppm1      1.041 ppm2      2.569 CV     1
 ASSI {  319}
   (  segid "PAH3" and resid 475  and name HD2%)
   (  segid "PAH3" and resid 475  and name HD1%)
      2.100     0.600     0.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.14423E-01 ppm1      0.994 ppm2      0.678 CV     1
 ASSI {  320}
   (  segid "PAH3" and resid 509  and name HD2%)
   (  segid "PAH3" and resid 475  and name HD1%)
      3.100     1.200     1.200 peak   320 spectrum    1 weight  0.10000E+01 volume  0.11886E-02 ppm1      0.992 ppm2      0.481 CV     1
 ASSI {  322}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 475  and name HD1%)
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.13045E-02 ppm1      0.992 ppm2      0.194 CV     1
 ASSI {  324}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (  segid "PAH3" and resid 475  and name HD2%)
      2.900     1.000     1.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.21888E-02 ppm1      0.674 ppm2      1.511 CV     1
 ASSI {  325}
   (( segid "PAH3" and resid 475  and name HG  ))
   (  segid "PAH3" and resid 475  and name HD2%)
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.42761E-02 ppm1      0.677 ppm2      1.837 CV     1
 ASSI {  326}
   (  segid "PAH3" and resid 480  and name HB% )
   (  segid "PAH3" and resid 475  and name HD2%)
      2.600     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32035E-02 ppm1      0.676 ppm2      1.665 CV     1
 ASSI {  330}
   (( segid "PAH3" and resid 476  and name HG2 ))
   (( segid "PAH3" and resid 476  and name HA  ))
      2.400     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.68853E-02 ppm1      3.790 ppm2      1.660 CV     1
 OR {  330}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HA  ))
 ASSI {  331}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HA  ))
      2.100     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.15438E-01 ppm1      3.791 ppm2      2.019 CV     1
 OR {  331}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HA  ))
 ASSI {  335}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HB1 ))
      2.500     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.59069E-02 ppm1      2.018 ppm2      1.686 CV     1
 OR {  335}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HB2 ))
 ASSI {  336}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 476  and name HG1 ))
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.25294E-02 ppm1      1.694 ppm2      3.794 CV     1
 ASSI {  337}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 476  and name HG2 ))
      2.900     1.100     1.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.26164E-02 ppm1      1.627 ppm2      3.794 CV     1
 ASSI {  338}
   (( segid "PAH3" and resid 476  and name HD2 ))
   (( segid "PAH3" and resid 476  and name HG1 ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.60010E-02 ppm1      1.692 ppm2      3.238 CV     1
 OR {  338}
   (( segid "PAH3" and resid 476  and name HD1 ))
   (( segid "PAH3" and resid 476  and name HG1 ))
 ASSI {  339}
   (( segid "PAH3" and resid 476  and name HD1 ))
   (( segid "PAH3" and resid 476  and name HG2 ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.52328E-02 ppm1      1.627 ppm2      3.242 CV     1
 OR {  339}
   (( segid "PAH3" and resid 476  and name HD2 ))
   (( segid "PAH3" and resid 476  and name HG2 ))
 ASSI {  341}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HG2 ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.50589E-02 ppm1      1.624 ppm2      2.005 CV     1
 OR {  341}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HG2 ))
 ASSI {  342}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 476  and name HD1 ))
      3.400     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.22395E-02 ppm1      3.248 ppm2      3.796 CV     1
 OR {  342}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 476  and name HD2 ))
 ASSI {  343}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HD1 ))
      2.300     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.90592E-02 ppm1      3.247 ppm2      2.023 CV     1
 OR {  343}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HD2 ))
 OR {  343}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HD2 ))
 OR {  343}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HD1 ))
 ASSI {  344}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HD2 ))
      2.000     0.500     0.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.20583E-01 ppm1      3.247 ppm2      1.661 CV     1
 OR {  344}
   (( segid "PAH3" and resid 476  and name HG2 ))
   (( segid "PAH3" and resid 476  and name HD1 ))
 OR {  344}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HD1 ))
 OR {  344}
   (( segid "PAH3" and resid 476  and name HG2 ))
   (( segid "PAH3" and resid 476  and name HD2 ))
 ASSI {  345}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "PAH3" and resid 477  and name HA  ))
      2.400     0.700     0.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.86250E-02 ppm1      4.655 ppm2      4.216 CV     1
 ASSI {  348}
   (( segid "PAH3" and resid 477  and name HA  ))
   (( segid "PAH3" and resid 477  and name HB2 ))
      2.400     0.700     0.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.51096E-02 ppm1      3.769 ppm2      4.651 CV     1
 ASSI {  350}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HB1 ))
      1.600     0.300     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.33992E-01 ppm1      4.221 ppm2      3.769 CV     1
 ASSI {  352}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 477  and name HB2 ))
      2.900     1.000     1.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.68925E-02 ppm1      3.769 ppm2      1.662 CV     1
 ASSI {  355}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (( segid "PAH3" and resid 478  and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      4.203 ppm2      2.995 CV     1
 ASSI {  356}
   (( segid "PAH3" and resid 479  and name HG1 ))
   (( segid "PAH3" and resid 479  and name HA  ))
      2.300     0.700     0.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10147E-01 ppm1      4.080 ppm2      2.344 CV     1
 OR {  356}
   (( segid "PAH3" and resid 479  and name HG2 ))
   (( segid "PAH3" and resid 479  and name HA  ))
 ASSI {  357}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HA  ))
      2.200     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.11596E-01 ppm1      4.076 ppm2      2.096 CV     1
 ASSI {  358}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HA  ))
      2.400     0.700     0.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.55227E-02 ppm1      4.078 ppm2      2.165 CV     1
 ASSI {  360}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 479  and name HA  ))
      4.100     2.100     1.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.42326E-03 ppm1      4.076 ppm2      1.507 CV     1
 ASSI {  363}
   (( segid "PAH3" and resid 479  and name HG2 ))
   (( segid "PAH3" and resid 479  and name HB2 ))
      2.200     0.600     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.13770E-01 ppm1      1.952 ppm2      2.346 CV     1
 OR {  363}
   (( segid "PAH3" and resid 479  and name HG1 ))
   (( segid "PAH3" and resid 479  and name HB2 ))
 ASSI {  366}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HG1 ))
      2.000     0.500     0.500 peak   366 spectrum    1 weight  0.10000E+01 volume  0.23410E-01 ppm1      2.347 ppm2      2.096 CV     1
 OR {  366}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HG2 ))
 ASSI {  369}
   (( segid "PAH3" and resid 505  and name HA  ))
   (  segid "PAH3" and resid 505  and name HG2%)
      2.600     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.37108E-02 ppm1      1.042 ppm2      4.889 CV     1
 ASSI {  371}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 480  and name HA  ))
      2.100     0.500     0.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.10944E-01 ppm1      4.485 ppm2      1.660 CV     1
 ASSI {  374}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (  segid "PAH3" and resid 480  and name HB% )
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      1.662 ppm2      4.224 CV     1
 ASSI {  377}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 505  and name HG1%)
      2.900     2.900     3.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.38702E-02 ppm1      1.099 ppm2      0.163 CV     1
 ASSI {  380}
   (( segid "PAH3" and resid 509  and name HA  ))
   (  segid "PAH3" and resid 509  and name HD2%)
      2.200     0.600     0.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.75376E-02 ppm1      0.487 ppm2      4.486 CV     1
 ASSI {  381}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (( segid "PAH3" and resid 481  and name HA  ))
      2.900     1.100     1.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.16090E-02 ppm1      4.118 ppm2      3.001 CV     1
 ASSI {  382}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 481  and name HA  ))
      2.900     1.000     1.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.20438E-02 ppm1      4.122 ppm2      0.675 CV     1
 ASSI {  384}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 482  and name HA  ))
      2.400     0.700     0.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.57401E-02 ppm1      3.646 ppm2      1.940 CV     1
 ASSI {  385}
   (( segid "PAH3" and resid 482  and name HG2 ))
   (( segid "PAH3" and resid 482  and name HA  ))
      3.200     1.300     1.300 peak   385 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      3.644 ppm2      2.072 CV     1
 ASSI {  386}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "PAH3" and resid 482  and name HA  ))
      3.500     1.500     1.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.23917E-02 ppm1      3.644 ppm2      0.465 CV     1
 ASSI {  387}
   (  segid "PAH3" and resid 509  and name HD2%)
   (  segid "PAH3" and resid 505  and name HG1%)
      4.300     2.300     1.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.60735E-03 ppm1      1.100 ppm2      0.494 CV     1
 ASSI {  388}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (( segid "PAH3" and resid 482  and name HA  ))
      3.400     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.52690E-03 ppm1      3.644 ppm2      0.940 CV     1
 ASSI {  394}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (( segid "PAH3" and resid 482  and name HB2 ))
      2.600     0.800     0.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.28628E-02 ppm1      1.937 ppm2      2.468 CV     1
 ASSI {  396}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 482  and name HG1 ))
      3.000     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.14205E-02 ppm1      2.468 ppm2      3.645 CV     1
 ASSI {  398}
   (( segid "PAH3" and resid 482  and name HG2 ))
   (( segid "PAH3" and resid 482  and name HG1 ))
      1.600     0.300     0.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.30585E-01 ppm1      2.465 ppm2      2.070 CV     1
 ASSI {  399}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (( segid "PAH3" and resid 482  and name HG1 ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.56821E-02 ppm1      2.467 ppm2      2.186 CV     1
 ASSI {  403}
   (  segid "PAH3" and resid 502  and name HG1%)
   (  segid "PAH3" and resid 505  and name HG1%)
      3.300     1.400     1.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.15510E-02 ppm1      1.098 ppm2      0.743 CV     1
 ASSI {  404}
   (( segid "PAH3" and resid 501  and name HG  ))
   (  segid "PAH3" and resid 505  and name HG1%)
      4.100     2.100     1.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.31020E-03 ppm1      1.098 ppm2      1.613 CV     1
 ASSI {  405}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HA  ))
      3.600     1.600     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.99291E-03 ppm1      4.509 ppm2      3.092 CV     1
 ASSI {  406}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HA  ))
      2.400     0.700     0.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.52328E-02 ppm1      4.509 ppm2      2.754 CV     1
 ASSI {  407}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HB2 ))
      1.900     0.500     0.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10364E-01 ppm1      2.750 ppm2      3.096 CV     1
 ASSI {  411}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 503  and name HG1 ))
      2.600     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.53632E-02 ppm1      2.468 ppm2      4.130 CV     1
 OR {  411}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 503  and name HG2 ))
 ASSI {  412}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 485  and name HA  ))
      2.700     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      3.451 ppm2      0.224 CV     1
 ASSI {  413}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (( segid "PAH3" and resid 485  and name HA  ))
      3.300     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      3.443 ppm2      0.941 CV     1
 ASSI {  414}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (( segid "PAH3" and resid 485  and name HB1 ))
      2.300     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.29643E-02 ppm1      1.964 ppm2      0.944 CV     1
 ASSI {  415}
   (( segid "PAH3" and resid 505  and name HB  ))
   (  segid "PAH3" and resid 505  and name HG1%)
      2.400     0.700     0.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.59286E-02 ppm1      1.097 ppm2      2.561 CV     1
 ASSI {  416}
   (( segid "PAH3" and resid 482  and name HA  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      3.400     1.500     1.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.74651E-03 ppm1      0.545 ppm2      3.640 CV     1
 ASSI {  418}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "PAH3" and resid 485  and name HD1%)
      2.900     1.100     1.100 peak   418 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      0.544 ppm2      1.971 CV     1
 ASSI {  419}
   (( segid "PAH3" and resid 502  and name HA  ))
   (  segid "PAH3" and resid 505  and name HG1%)
      2.400     0.700     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.55517E-02 ppm1      1.098 ppm2      3.578 CV     1
 ASSI {  421}
   (( segid "PAH3" and resid 485  and name HG  ))
   (  segid "PAH3" and resid 485  and name HD1%)
      2.300     0.700     0.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.60663E-02 ppm1      0.546 ppm2      1.219 CV     1
 ASSI {  422}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "PAH3" and resid 485  and name HD1%)
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.24932E-02 ppm1      0.542 ppm2      0.943 CV     1
 ASSI {  425}
   (( segid "PAH3" and resid 505  and name HA  ))
   (  segid "PAH3" and resid 505  and name HG1%)
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.23193E-02 ppm1      1.095 ppm2      4.886 CV     1
 ASSI {  426}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 505  and name HB  ))
      2.200     0.600     0.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.94216E-02 ppm1      2.566 ppm2      1.069 CV     1
 OR {  426}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 505  and name HB  ))
 ASSI {  428}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (  segid "PAH3" and resid 485  and name HD2%)
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.22975E-02 ppm1      0.467 ppm2      0.941 CV     1
 ASSI {  430}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 505  and name HA  ))
      2.500     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.51241E-02 ppm1      4.894 ppm2      1.069 CV     1
 OR {  430}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 505  and name HA  ))
 ASSI {  431}
   (( segid "PAH3" and resid 505  and name HB  ))
   (( segid "PAH3" and resid 505  and name HA  ))
      2.500     0.800     0.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.39935E-02 ppm1      4.892 ppm2      2.572 CV     1
 ASSI {  432}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (( segid "PAH3" and resid 487  and name HA  ))
      3.300     1.400     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      4.102 ppm2      2.212 CV     1
 ASSI {  433}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (( segid "PAH3" and resid 487  and name HB1 ))
      2.100     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.71679E-02 ppm1      3.293 ppm2      2.217 CV     1
 ASSI {  434}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 487  and name HB1 ))
      3.600     1.600     1.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.10799E-02 ppm1      3.294 ppm2      1.043 CV     1
 ASSI {  435}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 488  and name HA  ))
      4.500     2.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.53270E-03 ppm1      3.853 ppm2      0.234 CV     1
 ASSI {  437}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 488  and name HB2 ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.19569E-02 ppm1      1.019 ppm2      0.241 CV     1
 ASSI {  438}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "PAH3" and resid 488  and name HB1 ))
      3.500     1.600     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.54430E-03 ppm1      1.824 ppm2      0.036 CV     1
 ASSI {  439}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "PAH3" and resid 504  and name HD2%)
      2.200     0.600     0.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.94216E-02 ppm1      0.735 ppm2      1.990 CV     1
 OR {  439}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "PAH3" and resid 504  and name HD2%)
 ASSI {  442}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (  segid "PAH3" and resid 488  and name HD1%)
      2.800     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.21743E-02 ppm1      0.234 ppm2      1.831 CV     1
 ASSI {  443}
   (( segid "PAH3" and resid 488  and name HG  ))
   (  segid "PAH3" and resid 488  and name HD1%)
      2.400     0.700     0.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.52980E-02 ppm1      0.233 ppm2      1.137 CV     1
 ASSI {  445}
   (  segid "PAH3" and resid 485  and name HD1%)
   (  segid "PAH3" and resid 488  and name HD1%)
      3.100     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.47907E-02 ppm1      0.234 ppm2      0.549 CV     1
 ASSI {  446}
   (  segid "PAH3" and resid 488  and name HD2%)
   (  segid "PAH3" and resid 488  and name HD1%)
      2.200     0.600     0.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.89150E-02 ppm1      0.232 ppm2      0.041 CV     1
 ASSI {  447}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (  segid "PAH3" and resid 504  and name HD1%)
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.50154E-02 ppm1      0.829 ppm2      1.705 CV     1
 ASSI {  448}
   (( segid "PAH3" and resid 488  and name HA  ))
   (  segid "PAH3" and resid 488  and name HD2%)
      2.500     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.39282E-02 ppm1      0.044 ppm2      3.847 CV     1
 ASSI {  449}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (  segid "PAH3" and resid 488  and name HD2%)
      4.200     2.200     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.75376E-03 ppm1      0.040 ppm2      3.303 CV     1
 ASSI {  451}
   (( segid "PAH3" and resid 488  and name HG  ))
   (  segid "PAH3" and resid 488  and name HD2%)
      2.300     0.700     0.700 peak   451 spectrum    1 weight  0.10000E+01 volume  0.67693E-02 ppm1      0.046 ppm2      1.124 CV     1
 ASSI {  453}
   (  segid "PAH3" and resid 501  and name HD1%)
   (  segid "PAH3" and resid 488  and name HD2%)
      2.600     0.900     0.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.31962E-02 ppm1      0.043 ppm2      0.893 CV     1
 ASSI {  454}
   (  segid "PAH3" and resid 501  and name HD2%)
   (  segid "PAH3" and resid 488  and name HD2%)
      2.600     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.39500E-02 ppm1      0.043 ppm2      0.543 CV     1
 ASSI {  456}
   (( segid "PAH3" and resid 504  and name HG  ))
   (  segid "PAH3" and resid 504  and name HD1%)
      2.300     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.68998E-02 ppm1      0.829 ppm2      2.001 CV     1
 OR {  456}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (  segid "PAH3" and resid 504  and name HD1%)
 ASSI {  457}
   (( segid "PAH3" and resid 504  and name HA  ))
   (  segid "PAH3" and resid 504  and name HD1%)
      4.200     2.200     1.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.76826E-03 ppm1      0.831 ppm2      4.249 CV     1
 ASSI {  459}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 489  and name HA  ))
      3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.76826E-03 ppm1      3.774 ppm2      0.264 CV     1
 ASSI {  460}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 489  and name HB  ))
      3.000     3.000     3.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      2.427 ppm2      0.274 CV     1
 ASSI {  462}
   (( segid "PAH3" and resid 486  and name HA  ))
   (  segid "PAH3" and resid 489  and name HG1%)
      3.100     1.200     1.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      1.114 ppm2      3.509 CV     1
 ASSI {  464}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (  segid "PAH3" and resid 489  and name HG1%)
      4.300     2.300     1.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.50444E-03 ppm1      1.113 ppm2      1.825 CV     1
 ASSI {  467}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "PAH3" and resid 489  and name HG1%)
      2.400     2.400     3.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.36311E-02 ppm1      1.114 ppm2      0.265 CV     1
 ASSI {  469}
   (( segid "PAH3" and resid 489  and name HB  ))
   (  segid "PAH3" and resid 489  and name HG2%)
      2.300     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.66678E-02 ppm1      1.015 ppm2      2.430 CV     1
 ASSI {  470}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (( segid "PAH3" and resid 504  and name HA  ))
      3.100     1.200     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      4.237 ppm2      1.717 CV     1
 ASSI {  471}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "PAH3" and resid 504  and name HA  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      4.241 ppm2      1.996 CV     1
 OR {  471}
   (( segid "PAH3" and resid 504  and name HG  ))
   (( segid "PAH3" and resid 504  and name HA  ))
 ASSI {  473}
   (( segid "PAH3" and resid 490  and name HB  ))
   (( segid "PAH3" and resid 490  and name HA  ))
      2.600     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.32542E-02 ppm1      4.099 ppm2      2.042 CV     1
 ASSI {  474}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 490  and name HA  ))
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.14205E-02 ppm1      4.097 ppm2      1.520 CV     1
 ASSI {  476}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 490  and name HA  ))
      4.500     2.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.56314E-03 ppm1      4.103 ppm2      1.078 CV     1
 ASSI {  477}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 490  and name HA  ))
      4.200     2.200     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.38702E-03 ppm1      4.100 ppm2      1.005 CV     1
 ASSI {  479}
   (( segid "PAH3" and resid 490  and name HA  ))
   (  segid "PAH3" and resid 495  and name HG2%)
      3.700     1.700     1.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.62112E-03 ppm1      0.277 ppm2      4.103 CV     1
 ASSI {  480}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 490  and name HB  ))
      2.900     1.100     1.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      2.042 ppm2      1.070 CV     1
 ASSI {  481}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 490  and name HG11))
      3.100     1.200     1.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.86250E-03 ppm1      2.057 ppm2      1.067 CV     1
 ASSI {  483}
   (( segid "PAH3" and resid 490  and name HA  ))
   (  segid "PAH3" and resid 490  and name HG2%)
      2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.65881E-02 ppm1      1.342 ppm2      4.099 CV     1
 ASSI {  484}
   (( segid "PAH3" and resid 490  and name HB  ))
   (  segid "PAH3" and resid 490  and name HG2%)
      2.100     0.600     0.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      1.341 ppm2      2.045 CV     1
 OR {  484}
   (( segid "PAH3" and resid 490  and name HG11))
   (  segid "PAH3" and resid 490  and name HG2%)
 ASSI {  485}
   (( segid "PAH3" and resid 490  and name HG12))
   (  segid "PAH3" and resid 490  and name HG2%)
      2.900     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.16090E-02 ppm1      1.341 ppm2      1.706 CV     1
 ASSI {  486}
   (  segid "PAH3" and resid 490  and name HD1%)
   (  segid "PAH3" and resid 490  and name HG2%)
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.89150E-02 ppm1      1.341 ppm2      1.078 CV     1
 ASSI {  487}
   (  segid "PAH3" and resid 489  and name HG2%)
   (  segid "PAH3" and resid 490  and name HG2%)
      2.300     0.700     0.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.73201E-02 ppm1      1.340 ppm2      0.996 CV     1
 ASSI {  488}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 503  and name HA  ))
      3.800     1.800     1.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      4.127 ppm2      0.612 CV     1
 ASSI {  489}
   (  segid "PAH3" and resid 495  and name HG2%)
   (  segid "PAH3" and resid 490  and name HG2%)
      3.400     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      1.339 ppm2      0.275 CV     1
 ASSI {  490}
   (( segid "PAH3" and resid 503  and name HB2 ))
   (( segid "PAH3" and resid 503  and name HA  ))
      2.300     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.92767E-02 ppm1      4.133 ppm2      2.254 CV     1
 OR {  490}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (( segid "PAH3" and resid 503  and name HA  ))
 ASSI {  492}
   (( segid "PAH3" and resid 487  and name HA  ))
   (  segid "PAH3" and resid 490  and name HD1%)
      2.800     1.000     1.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.21018E-02 ppm1      1.077 ppm2      4.100 CV     1
 ASSI {  493}
   (( segid "PAH3" and resid 490  and name HG11))
   (  segid "PAH3" and resid 490  and name HD1%)
      2.100     0.600     0.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.85525E-02 ppm1      1.075 ppm2      2.050 CV     1
 OR {  493}
   (( segid "PAH3" and resid 490  and name HB  ))
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {  494}
   (( segid "PAH3" and resid 490  and name HG12))
   (  segid "PAH3" and resid 490  and name HD1%)
      2.400     0.700     0.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.49211E-02 ppm1      1.076 ppm2      1.697 CV     1
 ASSI {  498}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HA  ))
      2.600     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.34933E-02 ppm1      4.217 ppm2      2.498 CV     1
 ASSI {  499}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HA  ))
      2.700     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1      4.211 ppm2      2.244 CV     1
 ASSI {  500}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HA  ))
      2.600     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.65229E-02 ppm1      4.212 ppm2      1.513 CV     1
 ASSI {  502}
   (( segid "PAH3" and resid 493  and name HA  ))
   (( segid "PAH3" and resid 493  and name HG1 ))
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      2.604 ppm2      4.217 CV     1
 ASSI {  504}
   (( segid "PAH3" and resid 493  and name HG1 ))
   (( segid "PAH3" and resid 493  and name HG2 ))
      1.600     0.300     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.30223E-01 ppm1      2.495 ppm2      2.606 CV     1
 ASSI {  506}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HG1 ))
      3.100     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.28121E-02 ppm1      2.605 ppm2      2.240 CV     1
 ASSI {  507}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HG1 ))
      2.900     1.100     1.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      2.606 ppm2      1.517 CV     1
 ASSI {  508}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HG2 ))
      3.300     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      2.501 ppm2      1.522 CV     1
 ASSI {  509}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 493  and name HG2 ))
      4.500     2.600     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.42833E-03 ppm1      2.498 ppm2      1.015 CV     1
 ASSI {  510}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 493  and name HG1 ))
      3.900     1.900     1.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.57619E-03 ppm1      2.599 ppm2      1.015 CV     1
 ASSI {  511}
   (( segid "PAH3" and resid 494  and name HG2 ))
   (( segid "PAH3" and resid 494  and name HA  ))
      2.500     0.800     0.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.62837E-02 ppm1      3.895 ppm2      1.964 CV     1
 OR {  511}
   (( segid "PAH3" and resid 494  and name HG1 ))
   (( segid "PAH3" and resid 494  and name HA  ))
 ASSI {  512}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "PAH3" and resid 494  and name HG1 ))
      3.000     1.100     1.100 peak   512 spectrum    1 weight  0.10000E+01 volume  0.27976E-02 ppm1      1.988 ppm2      3.902 CV     1
 ASSI {  513}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "PAH3" and resid 494  and name HG2 ))
      2.900     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.22613E-02 ppm1      1.926 ppm2      3.900 CV     1
 ASSI {  514}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 495  and name HA  ))
      2.500     0.800     0.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.47110E-02 ppm1      3.490 ppm2      0.941 CV     1
 ASSI {  515}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 495  and name HA  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.47545E-02 ppm1      3.488 ppm2      0.281 CV     1
 ASSI {  518}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 495  and name HB  ))
      3.800     1.800     1.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.49501E-03 ppm1      1.940 ppm2      0.811 CV     1
 OR {  518}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 495  and name HB  ))
 ASSI {  520}
   (( segid "PAH3" and resid 495  and name HB  ))
   (  segid "PAH3" and resid 495  and name HG1%)
      2.300     0.700     0.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.56531E-02 ppm1      0.940 ppm2      1.940 CV     1
 ASSI {  521}
   (( segid "PAH3" and resid 502  and name HB  ))
   (  segid "PAH3" and resid 502  and name HG2%)
      2.200     0.600     0.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.90592E-02 ppm1      0.614 ppm2      1.907 CV     1
 ASSI {  523}
   (  segid "PAH3" and resid 490  and name HG2%)
   (  segid "PAH3" and resid 495  and name HG1%)
      4.100     2.200     1.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.44356E-03 ppm1      0.935 ppm2      1.340 CV     1
 ASSI {  524}
   (  segid "PAH3" and resid 495  and name HG2%)
   (  segid "PAH3" and resid 495  and name HG1%)
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.92042E-02 ppm1      0.940 ppm2      0.280 CV     1
 ASSI {  525}
   (  segid "PAH3" and resid 523  and name HD2%)
   (  segid "PAH3" and resid 502  and name HG1%)
      2.300     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.52400E-02 ppm1      0.720 ppm2      0.360 CV     1
 ASSI {  526}
   (  segid "PAH3" and resid 502  and name HG2%)
   (  segid "PAH3" and resid 502  and name HG1%)
      2.000     0.500     0.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19351E-01 ppm1      0.722 ppm2      0.603 CV     1
 ASSI {  529}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (  segid "PAH3" and resid 495  and name HG2%)
      4.000     2.000     2.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.47400E-03 ppm1      0.277 ppm2      2.240 CV     1
 ASSI {  530}
   (( segid "PAH3" and resid 495  and name HB  ))
   (  segid "PAH3" and resid 495  and name HG2%)
      2.300     0.700     0.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.59286E-02 ppm1      0.281 ppm2      1.940 CV     1
 ASSI {  531}
   (( segid "PAH3" and resid 490  and name HB  ))
   (  segid "PAH3" and resid 495  and name HG2%)
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      0.280 ppm2      2.055 CV     1
 ASSI {  532}
   (( segid "PAH3" and resid 502  and name HB  ))
   (  segid "PAH3" and resid 502  and name HG1%)
      2.300     0.700     0.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.79726E-02 ppm1      0.721 ppm2      1.907 CV     1
 ASSI {  534}
   (( segid "PAH3" and resid 502  and name HA  ))
   (  segid "PAH3" and resid 502  and name HG1%)
      2.400     0.700     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.63417E-02 ppm1      0.720 ppm2      3.578 CV     1
 ASSI {  536}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 496  and name HA  ))
      2.500     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.46820E-02 ppm1      5.072 ppm2      0.812 CV     1
 ASSI {  540}
   (( segid "PAH3" and resid 496  and name HB  ))
   (  segid "PAH3" and resid 496  and name HG2%)
      2.700     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.23193E-02 ppm1      0.820 ppm2      2.289 CV     1
 ASSI {  541}
   (( segid "PAH3" and resid 490  and name HG11))
   (  segid "PAH3" and resid 496  and name HG2%)
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.56459E-03 ppm1      0.819 ppm2      2.030 CV     1
 OR {  541}
   (( segid "PAH3" and resid 490  and name HB  ))
   (  segid "PAH3" and resid 496  and name HG2%)
 ASSI {  542}
   (( segid "PAH3" and resid 495  and name HB  ))
   (  segid "PAH3" and resid 496  and name HG2%)
      3.800     1.800     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.48197E-03 ppm1      0.818 ppm2      1.946 CV     1
 ASSI {  545}
   (  segid "PAH3" and resid 490  and name HD1%)
   (  segid "PAH3" and resid 496  and name HG2%)
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      0.816 ppm2      1.074 CV     1
 ASSI {  547}
   (( segid "PAH3" and resid 490  and name HG11))
   (  segid "PAH3" and resid 496  and name HD1%)
      3.200     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.83350E-03 ppm1      0.972 ppm2      2.030 CV     1
 ASSI {  548}
   (( segid "PAH3" and resid 496  and name HG11))
   (  segid "PAH3" and resid 496  and name HD1%)
      2.300     0.600     0.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.62185E-02 ppm1      0.979 ppm2      1.752 CV     1
 ASSI {  549}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 502  and name HA  ))
      2.500     0.800     0.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.48415E-02 ppm1      3.576 ppm2      0.615 CV     1
 ASSI {  550}
   (( segid "PAH3" and resid 496  and name HG12))
   (  segid "PAH3" and resid 496  and name HD1%)
      1.800     0.400     0.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.23554E-01 ppm1      0.978 ppm2      0.806 CV     1
 OR {  550}
   (  segid "PAH3" and resid 496  and name HG2%)
   (  segid "PAH3" and resid 496  and name HD1%)
 ASSI {  551}
   (  segid "PAH3" and resid 501  and name HD2%)
   (  segid "PAH3" and resid 496  and name HD1%)
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      0.978 ppm2      0.584 CV     1
 ASSI {  552}
   (( segid "PAH3" and resid 497  and name HB1 ))
   (( segid "PAH3" and resid 497  and name HA  ))
      2.600     0.800     0.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.42471E-02 ppm1      4.813 ppm2      4.561 CV     1
 ASSI {  553}
   (( segid "PAH3" and resid 497  and name HB2 ))
   (( segid "PAH3" and resid 497  and name HB1 ))
      2.000     0.500     0.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.93492E-02 ppm1      4.581 ppm2      4.065 CV     1
 ASSI {  554}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HA  ))
      3.000     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      4.018 ppm2      2.108 CV     1
 ASSI {  555}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 498  and name HA  ))
      3.700     1.700     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.65591E-03 ppm1      4.022 ppm2      0.545 CV     1
 ASSI {  556}
   (( segid "PAH3" and resid 502  and name HB  ))
   (( segid "PAH3" and resid 499  and name HA  ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      3.990 ppm2      1.904 CV     1
 ASSI {  557}
   (  segid "PAH3" and resid 499  and name HB% )
   (( segid "PAH3" and resid 499  and name HA  ))
      2.200     0.600     0.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.13625E-01 ppm1      3.991 ppm2      1.569 CV     1
 ASSI {  558}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 499  and name HA  ))
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      3.990 ppm2      0.717 CV     1
 ASSI {  564}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 501  and name HA  ))
      2.600     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      4.040 ppm2      0.976 CV     1
 ASSI {  568}
   (  segid "PAH3" and resid 501  and name HD2%)
   (  segid "PAH3" and resid 501  and name HD1%)
      2.200     0.600     0.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      0.892 ppm2      0.549 CV     1
 ASSI {  571}
   (  segid "PAH3" and resid 523  and name HD2%)
   (  segid "PAH3" and resid 501  and name HD2%)
      2.600     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.41384E-02 ppm1      0.547 ppm2      0.358 CV     1
 ASSI {  584}
   (( segid "PAH3" and resid 459  and name HB1 ))
   (( segid "PAH3" and resid 459  and name HA  ))
      2.500     0.800     0.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.56894E-02 ppm1      4.686 ppm2      3.179 CV     1
 ASSI {  585}
   (( segid "PAH3" and resid 459  and name HB2 ))
   (( segid "PAH3" and resid 459  and name HA  ))
      2.800     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.40659E-02 ppm1      4.686 ppm2      3.059 CV     1
 ASSI {  586}
   (( segid "PAH3" and resid 459  and name HD2 ))
   (( segid "PAH3" and resid 459  and name HA  ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.34716E-03 ppm1      4.681 ppm2     -0.994 CV     1
 ASSI {  588}
   (( segid "PAH3" and resid 459  and name HD2 ))
   (( segid "PAH3" and resid 459  and name HB1 ))
      4.100     2.100     1.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.41167E-03 ppm1      3.174 ppm2     -1.001 CV     1
 ASSI {  590}
   (( segid "PAH3" and resid 459  and name HD2 ))
   (( segid "PAH3" and resid 459  and name HB2 ))
      4.000     2.000     2.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.36021E-03 ppm1      3.067 ppm2     -1.003 CV     1
 ASSI {  591}
   (( segid "PAH3" and resid 461  and name HB  ))
   (( segid "PAH3" and resid 461  and name HA  ))
      2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.59793E-02 ppm1      4.254 ppm2      2.170 CV     1
 ASSI {  593}
   (( segid "PAH3" and resid 461  and name HA  ))
   (  segid "PAH3" and resid 461  and name HG1%)
      2.600     0.800     0.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.51821E-02 ppm1      0.976 ppm2      4.255 CV     1
 ASSI {  594}
   (( segid "PAH3" and resid 461  and name HB  ))
   (  segid "PAH3" and resid 461  and name HG1%)
      2.400     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      0.973 ppm2      2.168 CV     1
 ASSI {  595}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (  segid "PAH3" and resid 463  and name HG2%)
      4.200     2.200     1.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.32324E-03 ppm1      1.297 ppm2     -0.932 CV     1
 ASSI {  596}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      3.300     1.300     1.300 peak   596 spectrum    1 weight  0.10000E+01 volume  0.92042E-03 ppm1      4.079 ppm2      2.635 CV     1
 ASSI {  597}
   (( segid "PAH3" and resid 464  and name HG2 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      3.000     1.100     1.100 peak   597 spectrum    1 weight  0.10000E+01 volume  0.35151E-02 ppm1      4.075 ppm2      2.407 CV     1
 ASSI {  600}
   (( segid "PAH3" and resid 464  and name HG2 ))
   (( segid "PAH3" and resid 464  and name HG1 ))
      1.900     0.400     0.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.15728E-01 ppm1      2.636 ppm2      2.405 CV     1
 ASSI {  603}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 465  and name HA  ))
      2.800     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.21670E-02 ppm1      4.311 ppm2     -0.409 CV     1
 ASSI {  604}
   (  segid "PAH3" and resid 467  and name HD% )
   (( segid "PAH3" and resid 467  and name HA  ))
      2.600     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.40152E-02 ppm1      3.536 ppm2      5.896 CV     1
 ASSI {  605}
   (  segid "PAH3" and resid 467  and name HD% )
   (( segid "PAH3" and resid 467  and name HB1 ))
      2.600     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.30150E-02 ppm1      2.141 ppm2      5.893 CV     1
 ASSI {  606}
   (  segid "PAH3" and resid 467  and name HD% )
   (( segid "PAH3" and resid 467  and name HB2 ))
      2.800     1.000     1.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.27831E-02 ppm1      1.580 ppm2      5.894 CV     1
 ASSI {  607}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HA  ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1      3.699 ppm2     -0.411 CV     1
 ASSI {  608}
   (( segid "PAH3" and resid 468  and name HB2 ))
   (( segid "PAH3" and resid 468  and name HB1 ))
      2.000     0.500     0.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.98566E-02 ppm1      3.595 ppm2      2.981 CV     1
 ASSI {  609}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HB1 ))
      3.200     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      3.589 ppm2     -0.411 CV     1
 ASSI {  611}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HB2 ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.18482E-02 ppm1      2.977 ppm2     -0.412 CV     1
 ASSI {  613}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      4.600     2.600     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.19714E-03 ppm1      0.198 ppm2     -0.413 CV     1
 ASSI {  614}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 471  and name HG1%)
      3.100     1.200     1.200 peak   614 spectrum    1 weight  0.10000E+01 volume  0.19279E-02 ppm1      0.199 ppm2     -1.281 CV     1
 ASSI {  615}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      3.200     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.12104E-02 ppm1      0.201 ppm2     -1.163 CV     1
 ASSI {  616}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.48052E-02 ppm1      0.201 ppm2     -1.050 CV     1
 ASSI {  617}
   (  segid "PAH3" and resid 467  and name HD% )
   (  segid "PAH3" and resid 471  and name HG2%)
      3.800     1.800     1.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.51313E-03 ppm1     -0.010 ppm2      5.894 CV     1
 ASSI {  618}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 471  and name HG2%)
      3.200     1.300     1.300 peak   618 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1     -0.013 ppm2     -0.836 CV     1
 ASSI {  619}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 471  and name HG2%)
      2.900     1.100     1.100 peak   619 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1     -0.013 ppm2     -1.049 CV     1
 ASSI {  620}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HA  ))
      2.900     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.34064E-02 ppm1      3.092 ppm2      1.462 CV     1
 ASSI {  621}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HA  ))
      2.500     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.42544E-02 ppm1      3.092 ppm2      1.000 CV     1
 ASSI {  622}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HA  ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.82625E-03 ppm1      3.086 ppm2     -1.074 CV     1
 ASSI {  623}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HD2 ))
      3.500     1.600     1.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.39137E-03 ppm1      2.880 ppm2     -1.086 CV     1
 OR {  623}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HD1 ))
 ASSI {  624}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HD1 ))
      2.900     2.900     3.100 peak   624 spectrum    1 weight  0.10000E+01 volume  0.12973E-02 ppm1      2.877 ppm2     -1.285 CV     1
 OR {  624}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HD2 ))
 ASSI {  625}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 474  and name HA  ))
      2.100     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.16814E-01 ppm1      3.699 ppm2      0.304 CV     1
 ASSI {  627}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 474  and name HB% )
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.24497E-02 ppm1      0.305 ppm2     -0.800 CV     1
 ASSI {  628}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 474  and name HB% )
      2.900     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.24787E-02 ppm1      0.306 ppm2     -0.716 CV     1
 ASSI {  631}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 475  and name HD1%)
      2.600     0.800     0.800 peak   631 spectrum    1 weight  0.10000E+01 volume  0.43413E-02 ppm1      0.995 ppm2     -0.712 CV     1
 ASSI {  632}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 475  and name HD2%)
      2.800     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.26744E-02 ppm1      0.677 ppm2     -1.067 CV     1
 ASSI {  634}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 475  and name HD2%)
      3.800     1.800     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.33557E-03 ppm1      0.679 ppm2     -0.771 CV     1
 ASSI {  635}
   (( segid "PAH3" and resid 478  and name HA  ))
   (  segid "PAH3" and resid 478  and name HB% )
      2.100     0.600     0.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.16234E-01 ppm1      1.509 ppm2      4.204 CV     1
 ASSI {  637}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 480  and name HA  ))
      3.200     1.300     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.76101E-03 ppm1      4.486 ppm2     -0.561 CV     1
 ASSI {  639}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 480  and name HB% )
      3.100     1.200     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.94941E-03 ppm1      1.661 ppm2     -0.765 CV     1
 ASSI {  640}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "PAH3" and resid 480  and name HB% )
      3.000     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.12973E-02 ppm1      1.661 ppm2     -0.558 CV     1
 ASSI {  642}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HA  ))
      2.600     0.900     0.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.40587E-02 ppm1      4.124 ppm2     -1.071 CV     1
 ASSI {  647}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "PAH3" and resid 483  and name HB1 ))
      3.600     1.600     1.600 peak   647 spectrum    1 weight  0.10000E+01 volume  0.58126E-03 ppm1      3.102 ppm2     -0.841 CV     1
 ASSI {  648}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "PAH3" and resid 483  and name HB2 ))
      3.600     1.600     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.75376E-03 ppm1      2.755 ppm2     -0.845 CV     1
 ASSI {  650}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 514  and name HB2 ))
      2.900     2.900     3.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      2.170 ppm2      0.733 CV     1
 OR {  650}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 514  and name HB1 ))
 ASSI {  651}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (( segid "PAH3" and resid 484  and name HA  ))
      2.500     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.39065E-02 ppm1      3.648 ppm2      2.244 CV     1
 ASSI {  652}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HA  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      3.638 ppm2     -1.152 CV     1
 ASSI {  653}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (( segid "PAH3" and resid 484  and name HB1 ))
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.46965E-02 ppm1      3.181 ppm2      2.244 CV     1
 ASSI {  654}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HB1 ))
      3.400     1.500     1.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.55155E-03 ppm1      3.193 ppm2     -1.162 CV     1
 ASSI {  656}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HB2 ))
      3.300     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      2.246 ppm2     -1.148 CV     1
 ASSI {  658}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.600     1.600     1.600 peak   658 spectrum    1 weight  0.10000E+01 volume  0.51096E-03 ppm1      0.547 ppm2     -1.277 CV     1
 ASSI {  659}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.900     1.900     1.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      0.542 ppm2     -1.158 CV     1
 ASSI {  660}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      0.547 ppm2     -1.050 CV     1
 ASSI {  668}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 485  and name HD2%)
      4.100     2.100     1.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.33339E-03 ppm1      0.474 ppm2     -1.074 CV     1
 ASSI {  669}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 485  and name HD2%)
      3.200     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      0.469 ppm2     -1.285 CV     1
 ASSI {  670}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (( segid "PAH3" and resid 487  and name HA  ))
      3.400     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.53270E-03 ppm1      4.090 ppm2      3.297 CV     1
 ASSI {  676}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 488  and name HD1%)
      3.200     1.200     1.200 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      0.232 ppm2     -0.552 CV     1
 ASSI {  677}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 488  and name HD1%)
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.26164E-02 ppm1      0.232 ppm2     -1.051 CV     1
 ASSI {  682}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      2.900     1.100     1.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.24279E-02 ppm1      0.043 ppm2     -1.046 CV     1
 ASSI {  683}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 488  and name HD2%)
      3.800     1.800     1.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.85525E-03 ppm1      0.042 ppm2     -0.697 CV     1
 ASSI {  693}
   (( segid "PAH3" and resid 492  and name HB2 ))
   (( segid "PAH3" and resid 492  and name HA  ))
      2.800     1.000     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.28701E-02 ppm1      4.373 ppm2      2.956 CV     1
 ASSI {  694}
   (( segid "PAH3" and resid 492  and name HB2 ))
   (( segid "PAH3" and resid 492  and name HB1 ))
      2.100     0.500     0.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.81900E-02 ppm1      3.418 ppm2      2.964 CV     1
 ASSI {  696}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HB1 ))
      2.000     0.500     0.500 peak   696 spectrum    1 weight  0.10000E+01 volume  0.75376E-02 ppm1      2.239 ppm2      1.515 CV     1
 ASSI {  697}
   (( segid "PAH3" and resid 494  and name HB1 ))
   (( segid "PAH3" and resid 494  and name HA  ))
      2.300     0.700     0.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.94216E-02 ppm1      3.899 ppm2      2.110 CV     1
 OR {  697}
   (( segid "PAH3" and resid 494  and name HB2 ))
   (( segid "PAH3" and resid 494  and name HA  ))
 ASSI {  705}
   (( segid "PAH3" and resid 496  and name HB  ))
   (( segid "PAH3" and resid 496  and name HA  ))
      2.700     0.900     0.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.26382E-02 ppm1      5.075 ppm2      2.291 CV     1
 ASSI {  707}
   (( segid "PAH3" and resid 497  and name HA  ))
   (( segid "PAH3" and resid 497  and name HB2 ))
      2.700     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.36818E-02 ppm1      4.063 ppm2      4.810 CV     1
 ASSI {  709}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HA  ))
      3.100     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      4.021 ppm2      1.819 CV     1
 ASSI {  710}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 498  and name HA  ))
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      4.023 ppm2      1.734 CV     1
 ASSI {  711}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 499  and name HA  ))
      3.600     1.600     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.62185E-03 ppm1      3.990 ppm2     -1.109 CV     1
 ASSI {  712}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 499  and name HA  ))
      3.600     1.600     1.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.66605E-03 ppm1      3.988 ppm2     -1.254 CV     1
 ASSI {  713}
   (  segid "PAH3" and resid 525  and name HD% )
   (  segid "PAH3" and resid 499  and name HB% )
      3.500     1.600     1.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      1.571 ppm2     -1.112 CV     1
 ASSI {  714}
   (  segid "PAH3" and resid 525  and name HE% )
   (  segid "PAH3" and resid 499  and name HB% )
      2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      1.571 ppm2     -1.257 CV     1
 ASSI {  715}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 501  and name HA  ))
      2.400     0.700     0.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.56821E-02 ppm1      4.040 ppm2      0.895 CV     1
 ASSI {  716}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
      3.700     1.700     1.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.80451E-03 ppm1      0.545 ppm2     -0.981 CV     1
 ASSI {  718}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (  segid "PAH3" and resid 501  and name HD2%)
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      0.546 ppm2      2.253 CV     1
 ASSI {  720}
   (( segid "PAH3" and resid 501  and name HG  ))
   (  segid "PAH3" and resid 501  and name HD2%)
      2.700     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.31020E-02 ppm1      0.547 ppm2      1.597 CV     1
 ASSI {  722}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 502  and name HA  ))
      3.500     1.600     1.600 peak   722 spectrum    1 weight  0.10000E+01 volume  0.69143E-03 ppm1      3.569 ppm2     -0.687 CV     1
 ASSI {  723}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 502  and name HG2%)
      3.400     1.400     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.25149E-02 ppm1      0.614 ppm2     -0.640 CV     1
 ASSI {  730}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 505  and name HA  ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.27758E-02 ppm1      4.890 ppm2     -0.764 CV     1
 ASSI {  731}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 505  and name HB  ))
      4.800     2.800     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.42906E-03 ppm1      2.576 ppm2     -0.775 CV     1
 ASSI {  732}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13698E-02 ppm1      1.098 ppm2     -1.049 CV     1
 ASSI {  733}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 505  and name HG1%)
      2.700     0.900     0.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.31600E-02 ppm1      1.100 ppm2     -0.641 CV     1
 ASSI {  734}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.500     1.600     1.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.88425E-03 ppm1      1.098 ppm2     -0.534 CV     1
 ASSI {  735}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      2.500     0.800     0.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.52908E-02 ppm1      1.099 ppm2     -0.697 CV     1
 ASSI {  736}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 505  and name HG2%)
      2.900     1.100     1.100 peak   736 spectrum    1 weight  0.10000E+01 volume  0.17757E-02 ppm1      1.038 ppm2     -1.162 CV     1
 ASSI {  737}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 505  and name HG2%)
      2.900     1.000     1.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.30295E-02 ppm1      1.039 ppm2     -1.048 CV     1
 ASSI {  738}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 505  and name HG2%)
      3.800     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.24279E-03 ppm1      1.043 ppm2     -0.646 CV     1
 ASSI {  739}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 506  and name HA  ))
      3.200     1.300     1.300 peak   739 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      3.832 ppm2     -0.640 CV     1
 ASSI {  740}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 506  and name HA  ))
      3.300     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.16018E-02 ppm1      3.832 ppm2     -0.532 CV     1
 OR {  740}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 506  and name HA  ))
 ASSI {  741}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 506  and name HB2 ))
      3.600     1.600     1.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.64576E-03 ppm1      4.262 ppm2     -0.646 CV     1
 ASSI {  742}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 506  and name HB2 ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.21525E-02 ppm1      4.260 ppm2     -0.534 CV     1
 OR {  742}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 506  and name HB2 ))
 ASSI {  743}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HA  ))
      2.300     0.600     0.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.76101E-02 ppm1      4.256 ppm2      2.215 CV     1
 ASSI {  744}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 507  and name HA  ))
      3.000     1.100     1.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.32469E-02 ppm1      4.258 ppm2      1.950 CV     1
 OR {  744}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 507  and name HA  ))
 ASSI {  746}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HB1 ))
      1.800     0.400     0.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.16959E-01 ppm1      2.214 ppm2      1.077 CV     1
 ASSI {  750}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 507  and name HB2 ))
      2.400     0.700     0.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.58054E-02 ppm1      1.077 ppm2      1.947 CV     1
 OR {  750}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 507  and name HB2 ))
 ASSI {  751}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (( segid "PAH3" and resid 507  and name HD1 ))
      1.700     0.400     0.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.15655E-01 ppm1      3.836 ppm2      3.675 CV     1
 ASSI {  752}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 507  and name HD1 ))
      2.300     0.700     0.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.60083E-02 ppm1      3.833 ppm2      1.948 CV     1
 OR {  752}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 507  and name HD1 ))
 ASSI {  754}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 507  and name HD2 ))
      2.400     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.49936E-02 ppm1      3.679 ppm2      1.952 CV     1
 OR {  754}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 507  and name HD2 ))
 ASSI {  757}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG1 ))
      2.100     0.600     0.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.12394E-01 ppm1      1.952 ppm2      2.208 CV     1
 OR {  757}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HG2 ))
 ASSI {  761}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 508  and name HA  ))
      3.200     1.300     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      4.374 ppm2     -0.770 CV     1
 ASSI {  763}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 509  and name HD1%)
      2.900     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.22758E-02 ppm1      0.617 ppm2     -1.048 CV     1
 ASSI {  765}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 509  and name HD2%)
      3.400     1.400     1.400 peak   765 spectrum    1 weight  0.10000E+01 volume  0.14205E-02 ppm1      0.484 ppm2     -0.799 CV     1
 ASSI {  766}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 509  and name HD2%)
      3.400     1.400     1.400 peak   766 spectrum    1 weight  0.10000E+01 volume  0.52255E-03 ppm1      0.482 ppm2     -0.696 CV     1
 ASSI {  767}
   (( segid "PAH3" and resid 510  and name HA2 ))
   (( segid "PAH3" and resid 510  and name HA1 ))
      1.900     0.500     0.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.14495E-01 ppm1      3.785 ppm2      3.441 CV     1
 ASSI {  769}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HD1 ))
      3.300     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      1.478 ppm2     -0.796 CV     1
 OR {  769}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {  770}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HD1 ))
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.69360E-03 ppm1      1.479 ppm2     -0.712 CV     1
 OR {  770}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {  771}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HE2 ))
      3.500     1.600     1.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.75376E-03 ppm1      2.871 ppm2     -0.715 CV     1
 OR {  771}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HE1 ))
 ASSI {  772}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 512  and name HA  ))
      2.900     1.100     1.100 peak   772 spectrum    1 weight  0.10000E+01 volume  0.19569E-02 ppm1      5.214 ppm2     -0.792 CV     1
 ASSI {  776}
   (( segid "PAH3" and resid 513  and name HG1 ))
   (( segid "PAH3" and resid 513  and name HB2 ))
      2.600     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.67983E-02 ppm1      2.093 ppm2      2.219 CV     1
 ASSI {  778}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 513  and name HG1 ))
      3.300     1.300     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      2.214 ppm2      3.574 CV     1
 ASSI {  779}
   (( segid "PAH3" and resid 513  and name HD1 ))
   (( segid "PAH3" and resid 513  and name HG2 ))
      3.400     1.400     1.400 peak   779 spectrum    1 weight  0.10000E+01 volume  0.19569E-02 ppm1      2.073 ppm2      3.882 CV     1
 ASSI {  780}
   (( segid "PAH3" and resid 513  and name HG1 ))
   (( segid "PAH3" and resid 513  and name HG2 ))
      1.700     0.400     0.500 peak   780 spectrum    1 weight  0.10000E+01 volume  0.21815E-01 ppm1      2.077 ppm2      2.214 CV     1
 ASSI {  782}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 515  and name HA  ))
      2.400     0.700     0.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.48994E-02 ppm1      4.667 ppm2      0.717 CV     1
 ASSI {  783}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HB1 ))
      2.000     0.500     0.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.66316E-02 ppm1      2.306 ppm2      1.513 CV     1
 ASSI {  784}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 515  and name HD1%)
      3.300     1.400     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.14495E-02 ppm1      0.722 ppm2     -0.836 CV     1
 ASSI {  785}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 515  and name HD2%)
      3.200     1.300     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.15075E-02 ppm1      0.449 ppm2     -0.800 CV     1
 ASSI {  786}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 516  and name HA  ))
      2.400     0.700     0.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.53270E-02 ppm1      4.876 ppm2     -0.504 CV     1
 ASSI {  787}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 516  and name HA  ))
      4.200     2.200     1.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.82625E-03 ppm1      4.883 ppm2     -0.627 CV     1
 ASSI {  788}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 516  and name HA  ))
      2.800     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      4.880 ppm2      3.425 CV     1
 OR {  788}
   (( segid "PAH3" and resid 516  and name HB1 ))
   (( segid "PAH3" and resid 516  and name HA  ))
 ASSI {  789}
   (( segid "PAH3" and resid 518  and name HB2 ))
   (( segid "PAH3" and resid 518  and name HA  ))
      2.600     0.800     0.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.36383E-02 ppm1      4.033 ppm2      3.482 CV     1
 ASSI {  790}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HA  ))
      3.700     1.700     1.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.73201E-03 ppm1      4.032 ppm2     -0.782 CV     1
 ASSI {  791}
   (( segid "PAH3" and resid 518  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HB2 ))
      2.200     0.600     0.600 peak   791 spectrum    1 weight  0.10000E+01 volume  0.48921E-02 ppm1      3.479 ppm2      3.642 CV     1
 ASSI {  792}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 519  and name HA  ))
      3.100     1.200     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      3.888 ppm2      6.179 CV     1
 ASSI {  793}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HA  ))
      3.100     1.200     1.200 peak   793 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      3.885 ppm2     -0.692 CV     1
 ASSI {  795}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HB2 ))
      3.100     1.200     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      3.616 ppm2     -0.696 CV     1
 OR {  795}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HB1 ))
 ASSI {  796}
   (( segid "PAH3" and resid 522  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HA  ))
      2.600     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.32687E-02 ppm1      3.819 ppm2      1.946 CV     1
 ASSI {  797}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HA  ))
      2.600     0.900     0.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.37977E-02 ppm1      3.820 ppm2     -1.178 CV     1
 ASSI {  798}
   (( segid "PAH3" and resid 522  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HB1 ))
      2.100     0.500     0.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.72042E-02 ppm1      2.513 ppm2      1.948 CV     1
 ASSI {  799}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HB1 ))
      3.200     1.300     1.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.81900E-03 ppm1      2.514 ppm2     -1.185 CV     1
 ASSI {  801}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HB2 ))
      3.400     1.500     1.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      1.949 ppm2     -1.179 CV     1
 ASSI {  802}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 523  and name HB1 ))
      1.900     0.400     0.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12249E-01 ppm1      1.574 ppm2      1.309 CV     1
 ASSI {  811}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 523  and name HD2%)
      3.500     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.92042E-03 ppm1      0.359 ppm2     -0.691 CV     1
 ASSI {  812}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HA  ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.33919E-02 ppm1      4.316 ppm2     -1.106 CV     1
 ASSI {  813}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 525  and name HA  ))
      4.400     2.400     1.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.40804E-03 ppm1      4.317 ppm2     -1.257 CV     1
 ASSI {  814}
   (( segid "PAH3" and resid 525  and name HB2 ))
   (( segid "PAH3" and resid 525  and name HB1 ))
      1.800     0.400     0.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.15728E-01 ppm1      2.760 ppm2      2.552 CV     1
 ASSI {  815}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HB1 ))
      2.800     1.000     1.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.23989E-02 ppm1      2.760 ppm2     -1.106 CV     1
 ASSI {  817}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HB2 ))
      2.800     1.000     1.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.26889E-02 ppm1      2.555 ppm2     -1.110 CV     1
 ASSI {  818}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HA  ))
      3.900     1.900     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.46312E-03 ppm1      4.108 ppm2     -1.253 CV     1
 ASSI {  819}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 527  and name HG2 ))
      4.700     2.700     1.300 peak   819 spectrum    1 weight  0.10000E+01 volume  0.18047E-03 ppm1      2.220 ppm2     -1.117 CV     1
 OR {  819}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 527  and name HG1 ))
 ASSI {  820}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HG2 ))
      3.600     1.600     1.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.75376E-03 ppm1      2.227 ppm2     -1.256 CV     1
 OR {  820}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HG1 ))
 ASSI {  821}
   (( segid "PAH3" and resid 520  and name HE2 ))
   (( segid "PAH3" and resid 517  and name HA  ))
      3.400     1.400     1.400 peak   821 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      4.413 ppm2      1.668 CV     1
 ASSI {  822}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (( segid "PAH3" and resid 475  and name HA  ))
      2.600     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.32687E-02 ppm1      4.143 ppm2      1.751 CV     1
 ASSI {  823}
   (( segid "PAH3" and resid 458  and name HB1 ))
   (( segid "PAH3" and resid 458  and name HA  ))
      2.800     0.900     0.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      4.287 ppm2      1.767 CV     1
 ASSI {  824}
   (( segid "PAH3" and resid 458  and name HB2 ))
   (( segid "PAH3" and resid 458  and name HA  ))
      3.100     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.20438E-02 ppm1      4.280 ppm2      1.676 CV     1
 ASSI {  827}
   (( segid "PAH3" and resid 469  and name HB1 ))
   (( segid "PAH3" and resid 466  and name HA  ))
      2.600     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.36166E-02 ppm1      4.146 ppm2      2.740 CV     1
 ASSI {  829}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 496  and name HA  ))
      3.200     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      5.070 ppm2      0.932 CV     1
 ASSI {  831}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 504  and name HA  ))
      2.200     0.600     0.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.92042E-02 ppm1      4.248 ppm2      0.736 CV     1
 ASSI {  833}
   (  segid "PAH3" and resid 489  and name HG1%)
   (( segid "PAH3" and resid 489  and name HB  ))
      2.400     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.58924E-02 ppm1      2.438 ppm2      1.111 CV     1
 ASSI {  837}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HB2 ))
      2.300     0.600     0.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      1.115 ppm2      0.969 CV     1
 ASSI {  838}
   (( segid "PAH3" and resid 484  and name HB1 ))
   (( segid "PAH3" and resid 484  and name HA  ))
      3.100     1.200     1.200 peak   838 spectrum    1 weight  0.10000E+01 volume  0.27903E-02 ppm1      3.648 ppm2      3.182 CV     1
 ASSI {  841}
   (( segid "PAH3" and resid 523  and name HA  ))
   (( segid "PAH3" and resid 523  and name HB2 ))
      3.500     1.500     1.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      1.307 ppm2      3.697 CV     1
 ASSI {  842}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 509  and name HA  ))
      2.600     0.900     0.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.29571E-02 ppm1      4.478 ppm2     -0.792 CV     1
 ASSI {  843}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "PAH3" and resid 468  and name HA  ))
      2.800     1.000     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.24714E-02 ppm1      3.697 ppm2     -0.012 CV     1
 ASSI {  845}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HE2 ))
      3.600     1.700     1.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.84075E-03 ppm1      2.872 ppm2     -0.786 CV     1
 OR {  845}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HE1 ))
 ASSI {  846}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "PAH3" and resid 460  and name HA2 ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.81175E-03 ppm1      4.014 ppm2      0.977 CV     1
 OR {  846}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 460  and name HA1 ))
 OR {  846}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 460  and name HA2 ))
 ASSI {  848}
   (( segid "PAH3" and resid 490  and name HG12))
   (  segid "PAH3" and resid 496  and name HG2%)
      4.400     2.400     1.600 peak   848 spectrum    1 weight  0.10000E+01 volume  0.70229E-03 ppm1      0.812 ppm2      1.698 CV     1
 ASSI {  849}
   (  segid "PAH3" and resid 490  and name HG2%)
   (  segid "PAH3" and resid 496  and name HG2%)
      4.700     2.800     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.43921E-03 ppm1      0.809 ppm2      1.345 CV     1
 ASSI {  851}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 510  and name HA2 ))
      3.300     3.300     2.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.57329E-03 ppm1      3.438 ppm2     -0.505 CV     1
 ASSI {  854}
   (  segid "PAH3" and resid 471  and name HG2%)
   (  segid "PAH3" and resid 474  and name HB% )
      3.800     1.800     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      0.304 ppm2     -0.009 CV     1
 ASSI {  856}
   (( segid "PAH3" and resid 462  and name HA2 ))
   (( segid "PAH3" and resid 462  and name HA1 ))
      1.600     0.300     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.51241E-01 ppm1      4.286 ppm2      4.141 CV     1
 ASSI {  858}
   (( segid "PAH3" and resid 496  and name HA  ))
   (  segid "PAH3" and resid 496  and name HD1%)
      5.400     3.600     0.600 peak   858 spectrum    1 weight  0.10000E+01 volume  0.22250E-03 ppm1      0.981 ppm2      5.073 CV     1
 ASSI {  859}
   (( segid "PAH3" and resid 491  and name HA  ))
   (  segid "PAH3" and resid 496  and name HD1%)
      4.700     2.800     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.38340E-03 ppm1      0.975 ppm2      4.447 CV     1
 ASSI {  861}
   (( segid "PAH3" and resid 491  and name HB2 ))
   (  segid "PAH3" and resid 496  and name HD1%)
      3.700     1.700     1.700 peak   861 spectrum    1 weight  0.10000E+01 volume  0.25512E-03 ppm1      0.973 ppm2      3.112 CV     1
 ASSI {  862}
   (  segid "PAH3" and resid 496  and name HG2%)
   (  segid "PAH3" and resid 490  and name HD1%)
      2.100     0.600     0.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.10292E-01 ppm1      1.077 ppm2      0.818 CV     1
 OR {  862}
   (( segid "PAH3" and resid 496  and name HG12))
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {  864}
   (  segid "PAH3" and resid 495  and name HG2%)
   (  segid "PAH3" and resid 490  and name HD1%)
      4.200     2.200     1.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.72114E-03 ppm1      1.076 ppm2      0.270 CV     1
 ASSI {  871}
   (  segid "PAH3" and resid 523  and name HD1%)
   (( segid "PAH3" and resid 523  and name HB2 ))
      3.000     1.200     1.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      1.296 ppm2      0.497 CV     1
 ASSI {  874}
   (( segid "PAH3" and resid 509  and name HG  ))
   (( segid "PAH3" and resid 509  and name HB2 ))
      3.100     1.200     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.86975E-03 ppm1      0.802 ppm2      1.389 CV     1
 ASSI {  875}
   (( segid "PAH3" and resid 509  and name HA  ))
   (( segid "PAH3" and resid 509  and name HB2 ))
      3.500     1.500     1.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.98566E-03 ppm1      0.800 ppm2      4.476 CV     1
 ASSI {  878}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 504  and name HB1 ))
      2.600     0.900     0.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.27541E-02 ppm1      2.001 ppm2      0.738 CV     1
 ASSI {  879}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "PAH3" and resid 504  and name HB1 ))
      2.900     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.22178E-02 ppm1      1.993 ppm2      0.828 CV     1
 ASSI {  880}
   (( segid "PAH3" and resid 504  and name HA  ))
   (( segid "PAH3" and resid 504  and name HB1 ))
      3.100     1.200     1.200 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      1.987 ppm2      4.252 CV     1
 ASSI {  882}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 470  and name HE1 ))
      3.200     1.300     1.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.17539E-02 ppm1      2.793 ppm2      0.880 CV     1
 OR {  882}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI {  883}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 470  and name HE1 ))
      3.000     1.200     1.200 peak   883 spectrum    1 weight  0.10000E+01 volume  0.21308E-02 ppm1      2.790 ppm2      0.940 CV     1
 OR {  883}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI {  884}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HE2 ))
      2.600     0.800     0.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.47907E-02 ppm1      2.789 ppm2      1.272 CV     1
 OR {  884}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 ASSI {  885}
   (( segid "PAH3" and resid 470  and name HD2 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
      2.300     0.600     0.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      2.791 ppm2      1.418 CV     1
 OR {  885}
   (( segid "PAH3" and resid 470  and name HD2 ))
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI {  886}
   (( segid "PAH3" and resid 470  and name HD1 ))
   (( segid "PAH3" and resid 470  and name HE2 ))
      2.100     0.600     0.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.14133E-01 ppm1      2.791 ppm2      1.538 CV     1
 OR {  886}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HE2 ))
 OR {  886}
   (( segid "PAH3" and resid 470  and name HD1 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 OR {  886}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 ASSI {  888}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HE2 ))
      2.500     0.800     0.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.59214E-02 ppm1      2.862 ppm2      1.405 CV     1
 OR {  888}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HE1 ))
 ASSI {  894}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 515  and name HB2 ))
      2.800     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.28773E-02 ppm1      1.509 ppm2      0.452 CV     1
 ASSI {  902}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "PAH3" and resid 504  and name HB2 ))
      1.900     0.500     0.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.11306E-01 ppm1      1.714 ppm2      2.000 CV     1
 ASSI {  904}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 504  and name HB1 ))
      3.700     1.700     1.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      1.992 ppm2      0.913 CV     1
 ASSI {  905}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HE2 ))
      4.700     2.700     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.43196E-03 ppm1      2.791 ppm2      3.690 CV     1
 OR {  905}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HE1 ))
 ASSI {  906}
   (( segid "PAH3" and resid 467  and name HA  ))
   (( segid "PAH3" and resid 470  and name HE1 ))
      4.300     2.300     1.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.37398E-03 ppm1      2.790 ppm2      3.545 CV     1
 OR {  906}
   (( segid "PAH3" and resid 467  and name HA  ))
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI {  907}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 475  and name HB1 ))
      3.200     1.300     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      1.739 ppm2      0.989 CV     1
 ASSI {  910}
   (( segid "PAH3" and resid 485  and name HA  ))
   (( segid "PAH3" and resid 485  and name HB1 ))
      4.000     2.000     2.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.16597E-03 ppm1      1.966 ppm2      3.458 CV     1
 ASSI {  911}
   (( segid "PAH3" and resid 485  and name HG  ))
   (( segid "PAH3" and resid 485  and name HB1 ))
      4.100     2.100     1.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.35803E-03 ppm1      1.971 ppm2      1.216 CV     1
 ASSI {  912}
   (( segid "PAH3" and resid 463  and name HB  ))
   (( segid "PAH3" and resid 466  and name HB1 ))
      4.100     2.100     1.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.29498E-03 ppm1      1.741 ppm2      4.440 CV     1
 ASSI {  914}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 496  and name HB  ))
      2.500     0.800     0.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.38195E-02 ppm1      2.288 ppm2      0.812 CV     1
 OR {  914}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 496  and name HB  ))
 ASSI {  918}
   (( segid "PAH3" and resid 501  and name HB2 ))
   (( segid "PAH3" and resid 501  and name HB1 ))
      2.200     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.36238E-02 ppm1      2.254 ppm2      1.449 CV     1
 ASSI {  919}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 501  and name HB2 ))
      3.100     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      1.441 ppm2      0.558 CV     1
 ASSI {  920}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 501  and name HB2 ))
      3.200     1.300     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.73201E-03 ppm1      1.443 ppm2      0.953 CV     1
 ASSI {  921}
   (( segid "PAH3" and resid 491  and name HB2 ))
   (( segid "PAH3" and resid 491  and name HB1 ))
      2.300     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.24642E-02 ppm1      3.528 ppm2      3.114 CV     1
 ASSI {  924}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "PAH3" and resid 488  and name HB2 ))
      4.400     2.400     1.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.46167E-03 ppm1      1.031 ppm2      0.052 CV     1
 ASSI {  925}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "PAH3" and resid 488  and name HB1 ))
      1.800     0.400     0.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.12176E-01 ppm1      1.826 ppm2      1.053 CV     1
 ASSI {  927}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 463  and name HB  ))
      4.400     2.400     1.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.55951E-03 ppm1      4.441 ppm2      0.940 CV     1
 ASSI {  929}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HB2 ))
      2.000     0.500     0.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.82625E-02 ppm1      2.966 ppm2      3.149 CV     1
 ASSI {  935}
   (( segid "PAH3" and resid 517  and name HA  ))
   (( segid "PAH3" and resid 520  and name HE1 ))
      3.700     1.800     1.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.64866E-03 ppm1      1.766 ppm2      4.409 CV     1
 ASSI {  937}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (( segid "PAH3" and resid 520  and name HE1 ))
      2.700     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      1.754 ppm2      1.213 CV     1
 ASSI {  938}
   (( segid "PAH3" and resid 520  and name HD1 ))
   (( segid "PAH3" and resid 520  and name HE1 ))
      2.800     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.37398E-02 ppm1      1.754 ppm2      1.301 CV     1
 ASSI {  939}
   (( segid "PAH3" and resid 520  and name HD1 ))
   (( segid "PAH3" and resid 520  and name HE2 ))
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.33557E-02 ppm1      1.663 ppm2      1.300 CV     1
 ASSI {  941}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HG1 ))
      2.400     0.700     0.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.24569E-02 ppm1      1.395 ppm2      0.946 CV     1
 ASSI {  942}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (( segid "PAH3" and resid 520  and name HD1 ))
      1.600     0.300     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.30802E-01 ppm1      1.294 ppm2      1.198 CV     1
 ASSI {  944}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HD1 ))
      3.000     1.100     1.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.15148E-02 ppm1      1.294 ppm2      0.955 CV     1
 ASSI {  949}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HD2 ))
      3.300     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      1.206 ppm2      0.950 CV     1
 ASSI {  951}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HE1 ))
      3.600     1.600     1.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.80451E-03 ppm1      1.756 ppm2      0.952 CV     1
 ASSI {  952}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (( segid "PAH3" and resid 520  and name HE2 ))
      3.100     1.200     1.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.18627E-02 ppm1      1.664 ppm2      1.217 CV     1
 ASSI {  953}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (( segid "PAH3" and resid 520  and name HE1 ))
      3.400     1.400     1.400 peak   953 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      1.760 ppm2      1.401 CV     1
 ASSI {  955}
   (( segid "PAH3" and resid 520  and name HE1 ))
   (( segid "PAH3" and resid 520  and name HE2 ))
      1.600     0.300     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.37253E-01 ppm1      1.663 ppm2      1.762 CV     1
 ASSI {  957}
   (( segid "PAH3" and resid 481  and name HB1 ))
   (( segid "PAH3" and resid 481  and name HB2 ))
      2.000     0.500     0.500 peak   957 spectrum    1 weight  0.10000E+01 volume  0.10002E-01 ppm1      2.996 ppm2      3.170 CV     1
 ASSI {  960}
   (( segid "PAH3" and resid 478  and name HA  ))
   (( segid "PAH3" and resid 481  and name HB1 ))
      3.400     1.400     1.400 peak   960 spectrum    1 weight  0.10000E+01 volume  0.78276E-03 ppm1      3.172 ppm2      4.212 CV     1
 ASSI {  961}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 481  and name HB1 ))
      4.600     2.700     1.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.48487E-03 ppm1      3.166 ppm2      0.684 CV     1
 ASSI {  962}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HB2 ))
      2.900     1.100     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.20656E-02 ppm1      3.001 ppm2     -1.065 CV     1
 ASSI {  963}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HB1 ))
      2.800     1.000     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.23410E-02 ppm1      3.173 ppm2     -1.073 CV     1
 ASSI {  964}
   (( segid "PAH3" and resid 502  and name HB  ))
   (( segid "PAH3" and resid 502  and name HA  ))
      3.500     1.500     1.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.81900E-03 ppm1      3.569 ppm2      1.912 CV     1
 ASSI {  968}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 498  and name HG1 ))
      2.000     0.500     0.500 peak   968 spectrum    1 weight  0.10000E+01 volume  0.83350E-02 ppm1      2.252 ppm2      1.734 CV     1
 ASSI {  973}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 498  and name HD2 ))
      2.600     0.800     0.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.39500E-02 ppm1      3.314 ppm2      2.256 CV     1
 OR {  973}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 498  and name HD1 ))
 ASSI {  974}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HD2 ))
      2.900     1.000     1.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1      3.313 ppm2      2.124 CV     1
 OR {  974}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HD1 ))
 ASSI {  975}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HD1 ))
      3.700     1.700     1.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.98566E-03 ppm1      3.310 ppm2      1.322 CV     1
 OR {  975}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HD2 ))
 OR {  975}
   (( segid "PAH3" and resid 523  and name HG  ))
   (( segid "PAH3" and resid 498  and name HD2 ))
 ASSI {  976}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 498  and name HD1 ))
      2.500     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.45805E-02 ppm1      3.316 ppm2      1.731 CV     1
 OR {  976}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 498  and name HD2 ))
 ASSI {  977}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (( segid "PAH3" and resid 500  and name HG2 ))
      2.200     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.52038E-02 ppm1      2.295 ppm2      2.459 CV     1
 ASSI {  978}
   (( segid "PAH3" and resid 500  and name HB1 ))
   (( segid "PAH3" and resid 500  and name HG2 ))
      3.100     1.200     1.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      2.297 ppm2      2.567 CV     1
 ASSI {  980}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 500  and name HG1 ))
      3.500     1.500     1.500 peak   980 spectrum    1 weight  0.10000E+01 volume  0.62112E-03 ppm1      2.465 ppm2      1.749 CV     1
 ASSI {  982}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HA  ))
      2.700     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.23265E-02 ppm1      3.697 ppm2      1.681 CV     1
 ASSI {  983}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (( segid "PAH3" and resid 470  and name HB1 ))
      1.800     0.400     0.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.16669E-01 ppm1      1.784 ppm2      1.523 CV     1
 OR {  983}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HB1 ))
 ASSI {  984}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HB2 ))
      2.000     0.500     0.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.73201E-02 ppm1      1.521 ppm2      1.789 CV     1
 ASSI {  985}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HB2 ))
      3.400     1.400     1.400 peak   985 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      1.519 ppm2      3.696 CV     1
 ASSI {  986}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 470  and name HB2 ))
      3.200     1.300     1.300 peak   986 spectrum    1 weight  0.10000E+01 volume  0.89867E-03 ppm1      1.525 ppm2      0.717 CV     1
 ASSI {  987}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 470  and name HB1 ))
      3.400     1.500     1.500 peak   987 spectrum    1 weight  0.10000E+01 volume  0.81900E-03 ppm1      1.776 ppm2      0.710 CV     1
 ASSI {  988}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HG1 ))
      1.900     0.400     0.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.12249E-01 ppm1      1.548 ppm2      1.277 CV     1
 ASSI {  989}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 470  and name HG2 ))
      4.000     2.000     2.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.83350E-03 ppm1      1.274 ppm2      0.718 CV     1
 ASSI {  990}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HG2 ))
      2.600     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      1.279 ppm2      1.781 CV     1
 ASSI {  991}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HG1 ))
      3.000     1.200     1.200 peak   991 spectrum    1 weight  0.10000E+01 volume  0.31165E-02 ppm1      1.551 ppm2      1.788 CV     1
 ASSI {  993}
   (( segid "PAH3" and resid 470  and name HE2 ))
   (( segid "PAH3" and resid 470  and name HG1 ))
      3.300     1.300     1.300 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10292E-02 ppm1      1.548 ppm2      2.785 CV     1
 OR {  993}
   (( segid "PAH3" and resid 470  and name HE1 ))
   (( segid "PAH3" and resid 470  and name HG1 ))
 ASSI {  995}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HD2 ))
      3.100     1.200     1.200 peak   995 spectrum    1 weight  0.10000E+01 volume  0.24062E-02 ppm1      1.420 ppm2      1.768 CV     1
 ASSI {  997}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HD2 ))
      2.600     0.800     0.800 peak   997 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      1.415 ppm2      1.277 CV     1
 ASSI {  998}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 470  and name HD1 ))
      3.300     1.300     1.300 peak   998 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      1.518 ppm2      0.713 CV     1
 ASSI {  999}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 470  and name HD2 ))
      3.000     1.100     1.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      1.421 ppm2      0.716 CV     1
 ASSI { 1000}
   (( segid "PAH3" and resid 470  and name HE2 ))
   (( segid "PAH3" and resid 470  and name HD1 ))
      2.600     0.800     0.800 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.47327E-02 ppm1      1.515 ppm2      2.794 CV     1
 OR { 1000}
   (( segid "PAH3" and resid 470  and name HE1 ))
   (( segid "PAH3" and resid 470  and name HD1 ))
 ASSI { 1002}
   (( segid "PAH3" and resid 466  and name HG  ))
   (( segid "PAH3" and resid 470  and name HE1 ))
      2.500     0.800     0.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.45587E-02 ppm1      2.791 ppm2      1.621 CV     1
 OR { 1002}
   (( segid "PAH3" and resid 466  and name HG  ))
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI { 1003}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 470  and name HE1 ))
      4.100     2.100     1.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.15945E-03 ppm1      2.791 ppm2      0.448 CV     1
 OR { 1003}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 470  and name HE2 ))
 ASSI { 1004}
   (( segid "PAH3" and resid 489  and name HA  ))
   (( segid "PAH3" and resid 492  and name HB1 ))
      3.300     1.400     1.400 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      3.414 ppm2      3.773 CV     1
 ASSI { 1009}
   (  segid "PAH3" and resid 490  and name HG2%)
   (( segid "PAH3" and resid 490  and name HB  ))
      2.600     0.900     0.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.24062E-02 ppm1      2.046 ppm2      1.345 CV     1
 ASSI { 1010}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 489  and name HA  ))
      2.800     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.53053E-02 ppm1      3.772 ppm2      1.016 CV     1
 ASSI { 1011}
   (  segid "PAH3" and resid 489  and name HG1%)
   (( segid "PAH3" and resid 489  and name HA  ))
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.73926E-02 ppm1      3.774 ppm2      1.104 CV     1
 ASSI { 1015}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (( segid "PAH3" and resid 464  and name HG1 ))
      3.000     1.100     1.100 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.26237E-02 ppm1      2.644 ppm2      2.061 CV     1
 ASSI { 1016}
   (( segid "PAH3" and resid 494  and name HB2 ))
   (( segid "PAH3" and resid 494  and name HG1 ))
      2.200     0.600     0.600 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.13553E-01 ppm1      1.991 ppm2      2.109 CV     1
 OR { 1016}
   (( segid "PAH3" and resid 494  and name HB1 ))
   (( segid "PAH3" and resid 494  and name HG1 ))
 ASSI { 1017}
   (( segid "PAH3" and resid 494  and name HB1 ))
   (( segid "PAH3" and resid 494  and name HG2 ))
      2.200     0.600     0.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.15873E-01 ppm1      1.932 ppm2      2.106 CV     1
 OR { 1017}
   (( segid "PAH3" and resid 494  and name HB2 ))
   (( segid "PAH3" and resid 494  and name HG2 ))
 ASSI { 1019}
   (( segid "PAH3" and resid 514  and name HG1 ))
   (( segid "PAH3" and resid 514  and name HG2 ))
      1.400     0.300     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.84800E-01 ppm1      2.380 ppm2      2.483 CV     1
 ASSI { 1022}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 514  and name HG1 ))
      3.300     3.300     2.700 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.56604E-03 ppm1      2.474 ppm2      0.714 CV     1
 ASSI { 1023}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 514  and name HG2 ))
      3.400     1.500     1.500 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.46095E-03 ppm1      2.390 ppm2      0.709 CV     1
 ASSI { 1024}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 490  and name HA  ))
      5.500     3.800     0.500 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.26309E-03 ppm1      4.098 ppm2      2.230 CV     1
 ASSI { 1027}
   (( segid "PAH3" and resid 495  and name HB  ))
   (( segid "PAH3" and resid 495  and name HA  ))
      2.900     1.100     1.100 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19351E-02 ppm1      3.493 ppm2      1.941 CV     1
 ASSI { 1028}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HG2 ))
      2.000     0.500     0.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.14278E-01 ppm1      2.493 ppm2      2.246 CV     1
 ASSI { 1031}
   (( segid "PAH3" and resid 527  and name HA  ))
   (( segid "PAH3" and resid 526  and name HB2 ))
      4.600     2.600     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.21453E-03 ppm1      1.542 ppm2      4.117 CV     1
 ASSI { 1032}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HB1 ))
      1.500     0.300     0.700 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.61823E-01 ppm1      1.682 ppm2      1.535 CV     1
 ASSI { 1034}
   (( segid "PAH3" and resid 490  and name HG11))
   (( segid "PAH3" and resid 487  and name HA  ))
      3.400     1.400     1.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      4.097 ppm2      2.053 CV     1
 ASSI { 1036}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 506  and name HA  ))
      3.400     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.94941E-03 ppm1      3.843 ppm2      1.105 CV     1
 ASSI { 1037}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (( segid "PAH3" and resid 506  and name HA  ))
      2.300     0.600     0.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.89867E-02 ppm1      3.835 ppm2      4.255 CV     1
 OR { 1037}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 506  and name HA  ))
 ASSI { 1038}
   (( segid "PAH3" and resid 457  and name HA  ))
   (( segid "PAH3" and resid 457  and name HB1 ))
      2.500     0.800     0.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.60445E-02 ppm1      3.846 ppm2      4.392 CV     1
 OR { 1038}
   (( segid "PAH3" and resid 457  and name HA  ))
   (( segid "PAH3" and resid 457  and name HB2 ))
 ASSI { 1039}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 463  and name HA  ))
      3.500     1.500     1.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.67475E-03 ppm1      4.309 ppm2      1.752 CV     1
 ASSI { 1040}
   (( segid "PAH3" and resid 463  and name HB  ))
   (( segid "PAH3" and resid 463  and name HA  ))
      2.200     0.600     0.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.12249E-01 ppm1      4.308 ppm2      4.443 CV     1
 ASSI { 1041}
   (( segid "PAH3" and resid 468  and name HB2 ))
   (( segid "PAH3" and resid 468  and name HA  ))
      3.300     1.400     1.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.16452E-02 ppm1      3.700 ppm2      2.969 CV     1
 ASSI { 1044}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 473  and name HB2 ))
      3.200     1.300     1.300 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.28991E-02 ppm1      1.605 ppm2      3.695 CV     1
 ASSI { 1045}
   (( segid "PAH3" and resid 458  and name HB2 ))
   (( segid "PAH3" and resid 458  and name HB1 ))
      1.300     0.200     0.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.11669E+00 ppm1      1.766 ppm2      1.691 CV     1
 ASSI { 1048}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HB2 ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.57981E-02 ppm1      1.604 ppm2      1.409 CV     1
 ASSI { 1051}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (( segid "PAH3" and resid 520  and name HB1 ))
      3.400     1.500     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.14930E-02 ppm1      1.933 ppm2      1.353 CV     1
 ASSI { 1054}
   (( segid "PAH3" and resid 491  and name HB2 ))
   (( segid "PAH3" and resid 491  and name HA  ))
      2.900     1.000     1.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      4.441 ppm2      3.110 CV     1
 ASSI { 1055}
   (( segid "PAH3" and resid 491  and name HB1 ))
   (( segid "PAH3" and resid 491  and name HA  ))
      3.600     1.700     1.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.79001E-03 ppm1      4.452 ppm2      3.535 CV     1
 ASSI { 1056}
   (( segid "PAH3" and resid 496  and name HG11))
   (( segid "PAH3" and resid 491  and name HA  ))
      3.100     1.200     1.200 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      4.456 ppm2      1.782 CV     1
 ASSI { 1057}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 491  and name HA  ))
      2.700     0.900     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      4.449 ppm2      0.813 CV     1
 ASSI { 1059}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 491  and name HA  ))
      4.000     2.000     2.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.32759E-03 ppm1      4.450 ppm2     -0.554 CV     1
 ASSI { 1060}
   (( segid "PAH3" and resid 513  and name HD1 ))
   (( segid "PAH3" and resid 513  and name HB2 ))
      4.700     2.700     1.300 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.39065E-03 ppm1      2.089 ppm2      3.886 CV     1
 ASSI { 1061}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 513  and name HB2 ))
      4.700     2.800     1.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.30078E-03 ppm1      2.085 ppm2      3.580 CV     1
 ASSI { 1062}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (( segid "PAH3" and resid 505  and name HA  ))
      3.400     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.61460E-03 ppm1      4.891 ppm2      3.681 CV     1
 ASSI { 1063}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 511  and name HB2 ))
      1.600     0.300     0.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.33122E-01 ppm1      1.116 ppm2      1.234 CV     1
 ASSI { 1065}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 507  and name HB2 ))
      4.400     2.500     1.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.41456E-03 ppm1      1.069 ppm2      3.822 CV     1
 ASSI { 1066}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 507  and name HB1 ))
      4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.52908E-03 ppm1      2.216 ppm2      3.824 CV     1
 ASSI { 1067}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 471  and name HB  ))
      3.700     1.700     1.700 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.39645E-03 ppm1      1.784 ppm2     -1.284 CV     1
 ASSI { 1068}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 489  and name HB  ))
      4.300     2.300     1.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      2.437 ppm2      3.505 CV     1
 ASSI { 1069}
   (( segid "PAH3" and resid 467  and name HB1 ))
   (( segid "PAH3" and resid 467  and name HA  ))
      3.300     1.400     1.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      3.537 ppm2      2.144 CV     1
 ASSI { 1070}
   (( segid "PAH3" and resid 470  and name HD2 ))
   (( segid "PAH3" and resid 467  and name HA  ))
      3.000     1.100     1.100 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      3.539 ppm2      1.419 CV     1
 ASSI { 1071}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 481  and name HA  ))
      4.800     2.900     1.200 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.24134E-03 ppm1      4.127 ppm2     -1.282 CV     1
 ASSI { 1072}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (( segid "PAH3" and resid 481  and name HA  ))
      3.700     1.700     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.87700E-03 ppm1      4.114 ppm2      2.239 CV     1
 ASSI { 1073}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HA  ))
      2.900     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.17539E-02 ppm1      3.589 ppm2      0.946 CV     1
 ASSI { 1074}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 520  and name HA  ))
      3.600     1.600     1.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.94216E-03 ppm1      3.595 ppm2      0.725 CV     1
 ASSI { 1076}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (( segid "PAH3" and resid 520  and name HA  ))
      3.400     1.400     1.400 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.13553E-02 ppm1      3.589 ppm2      1.378 CV     1
 ASSI { 1078}
   (( segid "PAH3" and resid 520  and name HB1 ))
   (( segid "PAH3" and resid 520  and name HA  ))
      2.900     1.100     1.100 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.16524E-02 ppm1      3.589 ppm2      1.917 CV     1
 ASSI { 1079}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (( segid "PAH3" and resid 520  and name HA  ))
      3.300     1.400     1.400 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.15293E-02 ppm1      3.591 ppm2      1.845 CV     1
 ASSI { 1081}
   (( segid "PAH3" and resid 486  and name HB2 ))
   (( segid "PAH3" and resid 486  and name HA  ))
      3.100     1.200     1.200 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      3.521 ppm2      0.955 CV     1
 ASSI { 1083}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 486  and name HA  ))
      3.100     1.200     1.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.93492E-03 ppm1      3.507 ppm2      1.008 CV     1
 ASSI { 1086}
   (( segid "PAH3" and resid 459  and name HB1 ))
   (( segid "PAH3" and resid 459  and name HB2 ))
      1.400     0.300     0.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.82625E-01 ppm1      3.060 ppm2      3.182 CV     1
 ASSI { 1089}
   (( segid "PAH3" and resid 498  and name HD1 ))
   (( segid "PAH3" and resid 498  and name HB2 ))
      3.700     1.700     1.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.66823E-03 ppm1      1.831 ppm2      3.310 CV     1
 OR { 1089}
   (( segid "PAH3" and resid 498  and name HD2 ))
   (( segid "PAH3" and resid 498  and name HB2 ))
 ASSI { 1090}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HB1 ))
      2.000     0.500     0.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      2.122 ppm2      1.822 CV     1
 ASSI { 1091}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 500  and name HB1 ))
      2.500     0.800     0.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      2.558 ppm2      1.751 CV     1
 ASSI { 1092}
   (( segid "PAH3" and resid 486  and name HB2 ))
   (( segid "PAH3" and resid 486  and name HB1 ))
      2.300     0.700     0.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.28411E-02 ppm1      1.755 ppm2      0.941 CV     1
 ASSI { 1096}
   (( segid "PAH3" and resid 464  and name HB1 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      2.400     0.700     0.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.43196E-02 ppm1      4.076 ppm2      2.304 CV     1
 ASSI { 1097}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (( segid "PAH3" and resid 482  and name HA  ))
      2.900     1.100     1.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.34353E-02 ppm1      3.648 ppm2      2.178 CV     1
 ASSI { 1099}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 472  and name HA  ))
      4.400     2.400     1.600 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.23120E-03 ppm1      3.093 ppm2      0.676 CV     1
 ASSI { 1100}
   (( segid "PAH3" and resid 472  and name HD2 ))
   (( segid "PAH3" and resid 472  and name HA  ))
      3.000     1.200     1.200 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.27758E-02 ppm1      3.096 ppm2      2.889 CV     1
 OR { 1100}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 472  and name HA  ))
 ASSI { 1102}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HB1 ))
      2.300     0.700     0.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.89150E-02 ppm1      1.457 ppm2      0.842 CV     1
 OR { 1102}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HB1 ))
 ASSI { 1103}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HB2 ))
      2.300     0.700     0.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.76101E-02 ppm1      1.008 ppm2      0.844 CV     1
 OR { 1103}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HB2 ))
 ASSI { 1111}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (( segid "PAH3" and resid 464  and name HB1 ))
      1.800     0.400     0.400 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.12900E-01 ppm1      2.300 ppm2      2.063 CV     1
 ASSI { 1113}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 503  and name HB1 ))
      2.100     0.500     0.500 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.19279E-01 ppm1      2.287 ppm2      2.461 CV     1
 OR { 1113}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 503  and name HB1 ))
 ASSI { 1115}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "PAH3" and resid 464  and name HB1 ))
      2.700     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      2.292 ppm2      2.630 CV     1
 ASSI { 1118}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 503  and name HB2 ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.45007E-02 ppm1      2.215 ppm2      4.132 CV     1
 ASSI { 1119}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 503  and name HB1 ))
      2.400     0.700     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.55806E-02 ppm1      2.288 ppm2      4.129 CV     1
 ASSI { 1125}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 493  and name HB2 ))
      3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.27541E-03 ppm1      1.532 ppm2      0.281 CV     1
 ASSI { 1126}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 488  and name HA  ))
      3.600     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.69868E-03 ppm1      3.843 ppm2      0.890 CV     1
 ASSI { 1127}
   (( segid "PAH3" and resid 488  and name HG  ))
   (( segid "PAH3" and resid 488  and name HA  ))
      3.300     1.300     1.300 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.14423E-02 ppm1      3.844 ppm2      1.106 CV     1
 ASSI { 1128}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "PAH3" and resid 488  and name HA  ))
      3.200     1.300     1.300 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      3.845 ppm2      1.022 CV     1
 ASSI { 1129}
   (( segid "PAH3" and resid 488  and name HG  ))
   (( segid "PAH3" and resid 485  and name HA  ))
      2.600     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.25729E-02 ppm1      3.443 ppm2      1.091 CV     1
 ASSI { 1131}
   (( segid "PAH3" and resid 485  and name HG  ))
   (( segid "PAH3" and resid 485  and name HA  ))
      3.300     1.400     1.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      3.451 ppm2      1.195 CV     1
 ASSI { 1133}
   (( segid "PAH3" and resid 472  and name HA  ))
   (( segid "PAH3" and resid 472  and name HG2 ))
      2.900     1.100     1.100 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.17757E-02 ppm1      0.802 ppm2      3.093 CV     1
 ASSI { 1134}
   (( segid "PAH3" and resid 472  and name HA  ))
   (( segid "PAH3" and resid 472  and name HG1 ))
      3.300     1.300     1.300 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.14060E-02 ppm1      0.864 ppm2      3.094 CV     1
 ASSI { 1135}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HG1 ))
      2.900     1.000     1.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.30657E-02 ppm1      0.874 ppm2      1.452 CV     1
 ASSI { 1136}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HG1 ))
      2.200     0.600     0.600 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.73926E-02 ppm1      0.865 ppm2      0.992 CV     1
 ASSI { 1137}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HG2 ))
      2.500     0.800     0.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.60445E-02 ppm1      0.804 ppm2      0.996 CV     1
 ASSI { 1143}
   (( segid "PAH3" and resid 515  and name HB1 ))
   (( segid "PAH3" and resid 515  and name HG  ))
      3.200     1.300     1.300 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.64721E-03 ppm1      1.855 ppm2      2.315 CV     1
 ASSI { 1144}
   (( segid "PAH3" and resid 515  and name HA  ))
   (( segid "PAH3" and resid 515  and name HG  ))
      4.100     2.100     1.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.29643E-03 ppm1      1.854 ppm2      4.669 CV     1
 ASSI { 1146}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 520  and name HG1 ))
      3.500     1.600     1.600 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      1.370 ppm2      0.721 CV     1
 ASSI { 1147}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 520  and name HG1 ))
      3.300     1.400     1.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      1.381 ppm2      3.644 CV     1
 OR { 1147}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 520  and name HG1 ))
 ASSI { 1150}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (  segid "PAH3" and resid 485  and name HD2%)
      2.700     0.900     0.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.23989E-02 ppm1      0.468 ppm2      1.964 CV     1
 ASSI { 1153}
   (  segid "PAH3" and resid 488  and name HD1%)
   (  segid "PAH3" and resid 485  and name HD2%)
      3.000     1.100     1.100 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.13553E-02 ppm1      0.465 ppm2      0.216 CV     1
 ASSI { 1154}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 487  and name HB1 ))
      3.100     1.200     1.200 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.10219E-02 ppm1      3.296 ppm2      0.893 CV     1
 ASSI { 1156}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 487  and name HB2 ))
      3.500     1.500     1.500 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      2.221 ppm2      0.886 CV     1
 ASSI { 1158}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 504  and name HG  ))
      2.400     0.700     0.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.55227E-02 ppm1      2.001 ppm2      0.740 CV     1
 ASSI { 1159}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "PAH3" and resid 504  and name HG  ))
      2.600     0.800     0.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.33629E-02 ppm1      2.004 ppm2      0.820 CV     1
 ASSI { 1161}
   (( segid "PAH3" and resid 490  and name HG11))
   (( segid "PAH3" and resid 490  and name HG12))
      2.100     0.500     0.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.45732E-02 ppm1      1.695 ppm2      2.055 CV     1
 ASSI { 1163}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 490  and name HG12))
      4.900     3.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.33484E-03 ppm1      1.706 ppm2      0.799 CV     1
 OR { 1163}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 490  and name HG12))
 ASSI { 1166}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "PAH3" and resid 485  and name HG  ))
      2.300     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.56024E-02 ppm1      1.210 ppm2      0.463 CV     1
 ASSI { 1167}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 485  and name HG  ))
      3.700     3.700     2.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.11959E-02 ppm1      1.207 ppm2      0.189 CV     1
 ASSI { 1168}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 485  and name HG  ))
      3.500     1.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.85525E-03 ppm1      1.208 ppm2      3.656 CV     1
 ASSI { 1169}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HG2 ))
      1.500     0.300     0.700 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.50299E-01 ppm1      1.275 ppm2      1.412 CV     1
 ASSI { 1170}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HG1 ))
      3.300     1.400     1.400 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      1.546 ppm2      3.698 CV     1
 ASSI { 1171}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (  segid "PAH3" and resid 475  and name HD2%)
      2.700     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.24134E-02 ppm1      0.678 ppm2      3.149 CV     1
 ASSI { 1173}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (  segid "PAH3" and resid 475  and name HD2%)
      2.600     0.800     0.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.41674E-02 ppm1      0.680 ppm2      1.744 CV     1
 ASSI { 1174}
   (  segid "PAH3" and resid 490  and name HD1%)
   (  segid "PAH3" and resid 504  and name HD1%)
      2.700     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.34353E-02 ppm1      0.827 ppm2      1.085 CV     1
 ASSI { 1175}
   (( segid "PAH3" and resid 492  and name HB1 ))
   (( segid "PAH3" and resid 492  and name HA  ))
      3.200     1.300     1.300 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      4.370 ppm2      3.417 CV     1
 ASSI { 1176}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (  segid "PAH3" and resid 488  and name HD1%)
      4.600     2.600     1.400 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.50009E-03 ppm1      0.232 ppm2      3.305 CV     1
 ASSI { 1179}
   (( segid "PAH3" and resid 515  and name HA  ))
   (  segid "PAH3" and resid 515  and name HD2%)
      4.500     2.500     1.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.48197E-03 ppm1      0.451 ppm2      4.662 CV     1
 ASSI { 1180}
   (  segid "PAH3" and resid 471  and name HG1%)
   (  segid "PAH3" and resid 515  and name HD2%)
      3.000     1.100     1.100 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.43558E-02 ppm1      0.450 ppm2      0.217 CV     1
 ASSI { 1181}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (  segid "PAH3" and resid 466  and name HD1%)
      4.700     2.700     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.38992E-03 ppm1      0.941 ppm2      2.604 CV     1
 ASSI { 1183}
   (  segid "PAH3" and resid 523  and name HD2%)
   (( segid "PAH3" and resid 523  and name HA  ))
      2.900     1.100     1.100 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.41022E-02 ppm1      3.699 ppm2      0.357 CV     1
 ASSI { 1184}
   (  segid "PAH3" and resid 523  and name HD1%)
   (  segid "PAH3" and resid 502  and name HG1%)
      2.800     1.000     1.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.47617E-02 ppm1      0.719 ppm2      0.492 CV     1
 ASSI { 1186}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HG2 ))
      1.500     0.300     0.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.51458E-01 ppm1      0.833 ppm2      0.967 CV     1
 ASSI { 1189}
   (( segid "PAH3" and resid 498  and name HD1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      3.500     1.500     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      0.491 ppm2      3.318 CV     1
 OR { 1189}
   (( segid "PAH3" and resid 498  and name HD2 ))
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI { 1190}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (  segid "PAH3" and resid 523  and name HD1%)
      4.900     3.000     1.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.17394E-03 ppm1      0.493 ppm2      2.122 CV     1
 ASSI { 1193}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 523  and name HD1%)
      3.500     1.500     1.500 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.82625E-03 ppm1      0.498 ppm2     -0.738 CV     1
 ASSI { 1194}
   (( segid "PAH3" and resid 491  and name HB1 ))
   (  segid "PAH3" and resid 501  and name HD1%)
      4.100     2.100     1.900 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.43776E-03 ppm1      0.893 ppm2      3.525 CV     1
 ASSI { 1196}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (( segid "PAH3" and resid 512  and name HA  ))
      3.600     1.700     1.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.86250E-03 ppm1      5.213 ppm2      3.080 CV     1
 ASSI { 1197}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 501  and name HD1%)
      4.000     2.000     2.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.66316E-03 ppm1      0.886 ppm2     -0.990 CV     1
 ASSI { 1202}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (  segid "PAH3" and resid 504  and name HD2%)
      2.900     1.000     1.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.59575E-02 ppm1      0.737 ppm2      1.707 CV     1
 ASSI { 1205}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (  segid "PAH3" and resid 509  and name HD2%)
      2.800     1.000     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.18409E-02 ppm1      0.487 ppm2      1.174 CV     1
 ASSI { 1214}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (  segid "PAH3" and resid 515  and name HD1%)
      3.500     1.500     1.500 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.41456E-03 ppm1      0.724 ppm2      6.165 CV     1
 ASSI { 1218}
   (  segid "PAH3" and resid 474  and name HB% )
   (  segid "PAH3" and resid 515  and name HD1%)
      3.700     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.86975E-03 ppm1      0.717 ppm2      0.299 CV     1
 ASSI { 1220}
   (( segid "PAH3" and resid 460  and name HA2 ))
   (  segid "PAH3" and resid 461  and name HG1%)
      3.800     1.800     1.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.90592E-03 ppm1      0.973 ppm2      3.991 CV     1
 OR { 1220}
   (( segid "PAH3" and resid 460  and name HA1 ))
   (  segid "PAH3" and resid 461  and name HG1%)
 ASSI { 1222}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (  segid "PAH3" and resid 502  and name HG2%)
      3.600     1.600     1.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.59358E-03 ppm1      0.616 ppm2      1.292 CV     1
 ASSI { 1223}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (  segid "PAH3" and resid 502  and name HG2%)
      4.500     2.600     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.34498E-03 ppm1      0.615 ppm2      1.218 CV     1
 ASSI { 1224}
   (  segid "PAH3" and resid 505  and name HG1%)
   (  segid "PAH3" and resid 502  and name HG2%)
      4.400     2.400     1.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.41819E-03 ppm1      0.614 ppm2      1.096 CV     1
 ASSI { 1229}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 507  and name HD1 ))
      2.300     0.700     0.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.35006E-02 ppm1      3.830 ppm2      4.260 CV     1
 OR { 1229}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HD1 ))
 ASSI { 1230}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "PAH3" and resid 507  and name HD2 ))
      3.800     1.800     1.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.51821E-03 ppm1      3.669 ppm2      1.076 CV     1
 ASSI { 1231}
   (( segid "PAH3" and resid 513  and name HG2 ))
   (( segid "PAH3" and resid 513  and name HD1 ))
      3.200     1.300     1.300 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.25439E-02 ppm1      3.888 ppm2      2.083 CV     1
 OR { 1231}
   (( segid "PAH3" and resid 513  and name HB2 ))
   (( segid "PAH3" and resid 513  and name HD1 ))
 ASSI { 1232}
   (  segid "PAH3" and resid 496  and name HG2%)
   (  segid "PAH3" and resid 490  and name HG2%)
      2.700     0.900     0.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.21308E-02 ppm1      1.343 ppm2      0.807 CV     1
 OR { 1232}
   (( segid "PAH3" and resid 496  and name HG12))
   (  segid "PAH3" and resid 490  and name HG2%)
 ASSI { 1238}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 498  and name HA  ))
      3.600     1.600     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      4.027 ppm2     -0.749 CV     1
 ASSI { 1239}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 463  and name HB  ))
      4.500     2.500     1.500 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.20221E-03 ppm1      4.447 ppm2     -0.928 CV     1
 ASSI { 1240}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      3.300     1.400     1.400 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      0.042 ppm2     -0.993 CV     1
 ASSI {    3}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "SAP" and resid 182  and name HG2%)
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.32561E-02 ppm1      6.723 ppm2     -0.193 CV     1
 ASSI {    6}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 187  and name HG1 ))
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.19520E-02 ppm1      7.226 ppm2      1.676 CV     1
 OR {    6}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 187  and name HG2 ))
 ASSI {    7}
   (  segid "SAP" and resid 202  and name HD% )
   (  segid "SAP" and resid 201  and name HG2%)
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.33775E-03 ppm1      7.176 ppm2      1.025 CV     1
 ASSI {   13}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 161  and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.42604E-02 ppm1      6.722 ppm2      3.885 CV     1
 ASSI {   14}
   (  segid "SAP" and resid 161  and name HD% )
   (  segid "SAP" and resid 161  and name HE% )
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.53295E-02 ppm1      6.721 ppm2      7.227 CV     1
 ASSI {   15}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 161  and name HB2 ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.37987E-02 ppm1      6.721 ppm2      2.658 CV     1
 OR {   15}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 161  and name HB1 ))
 ASSI {   17}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 165  and name HA  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.91526E-02 ppm1      6.964 ppm2      4.325 CV     1
 ASSI {   18}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 165  and name HB1 ))
      2.600     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.36610E-02 ppm1      6.961 ppm2      2.902 CV     1
 ASSI {   19}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 165  and name HB2 ))
      2.800     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27619E-02 ppm1      6.963 ppm2      2.067 CV     1
 ASSI {   20}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "SAP" and resid 165  and name HE% )
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.62043E-02 ppm1      6.962 ppm2      6.721 CV     1
 ASSI {   22}
   (( segid "SAP" and resid 185  and name HD2 ))
   (( segid "SAP" and resid 185  and name HB1 ))
      4.200     2.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.63096E-03 ppm1      7.013 ppm2      3.337 CV     1
 ASSI {   23}
   (( segid "SAP" and resid 185  and name HD2 ))
   (( segid "SAP" and resid 185  and name HB2 ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      7.012 ppm2      3.210 CV     1
 ASSI {   24}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 148  and name HG1%)
      4.100     2.100     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.34828E-03 ppm1      7.226 ppm2      0.966 CV     1
 ASSI {   26}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 150  and name HD2%)
      4.300     2.300     1.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.23327E-03 ppm1      7.227 ppm2      0.200 CV     1
 ASSI {   27}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HA  ))
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      7.225 ppm2      4.056 CV     1
 ASSI {   29}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HB2 ))
      2.900     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.25838E-02 ppm1      7.224 ppm2      3.005 CV     1
 ASSI {   30}
   (  segid "SAP" and resid 186  and name HD% )
   (  segid "SAP" and resid 186  and name HE% )
      1.800     0.400     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.24865E-01 ppm1      7.226 ppm2      7.120 CV     1
 ASSI {   31}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HZ  ))
      3.200     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.23489E-02 ppm1      7.227 ppm2      7.469 CV     1
 ASSI {   35}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 186  and name HZ  ))
      2.100     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.10529E-01 ppm1      7.119 ppm2      7.466 CV     1
 ASSI {   36}
   (( segid "SAP" and resid 186  and name HZ  ))
   (  segid "SAP" and resid 148  and name HG1%)
      3.200     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.32074E-02 ppm1      7.465 ppm2      0.966 CV     1
 ASSI {   41}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "SAP" and resid 200  and name HA  ))
      2.500     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.41632E-02 ppm1      7.653 ppm2      4.977 CV     1
 ASSI {   42}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "SAP" and resid 200  and name HB1 ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32641E-02 ppm1      7.653 ppm2      3.616 CV     1
 ASSI {   43}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "SAP" and resid 200  and name HB2 ))
      3.000     1.100     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      7.654 ppm2      3.269 CV     1
 ASSI {   44}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 200  and name HE% )
      2.100     0.500     0.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.12960E-01 ppm1      7.653 ppm2      7.096 CV     1
 ASSI {   45}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "SAP" and resid 200  and name HZ  ))
      3.700     1.700     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      7.654 ppm2      6.890 CV     1
 ASSI {   46}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 201  and name HD1%)
      4.000     2.000     2.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.89904E-03 ppm1      7.659 ppm2      1.034 CV     1
 OR {   46}
   (  segid "SAP" and resid 200  and name HD% )
   (  segid "SAP" and resid 201  and name HG2%)
 ASSI {   49}
   (  segid "SAP" and resid 200  and name HE% )
   (( segid "SAP" and resid 200  and name HZ  ))
      2.000     0.500     0.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17900E-01 ppm1      7.097 ppm2      6.892 CV     1
 ASSI {   50}
   (  segid "SAP" and resid 200  and name HE% )
   (  segid "SAP" and resid 204  and name HG1%)
      3.600     1.600     1.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.13283E-02 ppm1      7.092 ppm2      0.321 CV     1
 ASSI {   53}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HA  ))
      2.900     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.28672E-02 ppm1      7.173 ppm2      4.164 CV     1
 ASSI {   54}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HB1 ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      7.174 ppm2      3.187 CV     1
 ASSI {   55}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HB2 ))
      3.000     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      7.174 ppm2      3.131 CV     1
 ASSI {   56}
   (  segid "SAP" and resid 202  and name HD% )
   (  segid "SAP" and resid 202  and name HE% )
      2.200     0.600     0.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.10934E-01 ppm1      7.173 ppm2      6.798 CV     1
 ASSI {   57}
   (  segid "SAP" and resid 202  and name HE% )
   (  segid "SAP" and resid 198  and name HG2%)
      3.600     1.600     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.81803E-03 ppm1      6.798 ppm2      1.243 CV     1
 ASSI {   59}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 151  and name HA  ))
      2.900     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.26323E-02 ppm1      7.133 ppm2      3.836 CV     1
 ASSI {   66}
   (  segid "SAP" and resid 151  and name HE% )
   (( segid "SAP" and resid 175  and name HG1 ))
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.61071E-03 ppm1      6.717 ppm2      1.191 CV     1
 ASSI {   69}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 152  and name HA  ))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.14255E-02 ppm1      7.133 ppm2      4.083 CV     1
 ASSI {   70}
   (( segid "SAP" and resid 185  and name HD2 ))
   (( segid "SAP" and resid 185  and name HA  ))
      3.200     1.300     1.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.15146E-02 ppm1      7.014 ppm2      4.055 CV     1
 ASSI {   72}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 185  and name HE1 ))
      3.000     1.100     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.19034E-02 ppm1      6.959 ppm2      5.541 CV     1
 ASSI {   73}
   (( segid "SAP" and resid 185  and name HD2 ))
   (( segid "SAP" and resid 185  and name HE1 ))
      4.100     2.100     1.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.62204E-03 ppm1      7.013 ppm2      5.539 CV     1
 ASSI {   74}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 161  and name HA  ))
      3.400     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.74516E-03 ppm1      6.961 ppm2      3.875 CV     1
 ASSI {   76}
   (  segid "SAP" and resid 165  and name HD% )
   (  segid "SAP" and resid 167  and name HD2%)
      4.400     2.400     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.30130E-03 ppm1      6.959 ppm2      0.780 CV     1
 ASSI {   79}
   (  segid "SAP" and resid 165  and name HE% )
   (( segid "SAP" and resid 185  and name HE1 ))
      4.200     2.200     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.24542E-03 ppm1      6.726 ppm2      5.539 CV     1
 ASSI {   82}
   (( segid "SAP" and resid 200  and name HZ  ))
   (  segid "SAP" and resid 204  and name HG1%)
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.10934E-02 ppm1      6.882 ppm2      0.319 CV     1
 ASSI {    4}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 206  and name HD22))
      4.200     2.200     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.72465E-03 ppm1      6.700 ppm2      1.813 CV     1
 OR {    4}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 206  and name HD22))
 ASSI {    5}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 206  and name HD22))
      3.800     1.800     1.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.26439E-02 ppm1      6.703 ppm2      2.436 CV     1
 ASSI {    6}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 206  and name HD21))
      2.900     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.31647E-02 ppm1      7.223 ppm2      2.434 CV     1
 ASSI {    7}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 206  and name HD21))
      3.400     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.24117E-02 ppm1      7.226 ppm2      2.670 CV     1
 ASSI {    8}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 206  and name HD22))
      4.300     2.300     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      6.703 ppm2      2.671 CV     1
 ASSI {    9}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 206  and name HD22))
      4.300     2.300     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.63973E-03 ppm1      6.703 ppm2      4.167 CV     1
 OR {    9}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 206  and name HD22))
 ASSI {   10}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 206  and name HD21))
      3.800     1.800     1.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      7.224 ppm2      4.162 CV     1
 OR {   10}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 206  and name HD21))
 ASSI {   11}
   (( segid "SAP" and resid 206  and name HD22))
   (( segid "SAP" and resid 206  and name HD21))
      1.800     0.400     0.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.38327E-01 ppm1      7.223 ppm2      6.700 CV     1
 ASSI {   13}
   (( segid "SAP" and resid 192  and name HB2 ))
   (( segid "SAP" and resid 192  and name HD22))
      4.000     2.000     2.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      6.809 ppm2      2.599 CV     1
 ASSI {   14}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 192  and name HD22))
      4.700     2.800     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.71899E-03 ppm1      6.806 ppm2      2.904 CV     1
 ASSI {   15}
   (( segid "SAP" and resid 149  and name HA  ))
   (( segid "SAP" and resid 149  and name HN  ))
      3.000     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.31137E-02 ppm1      9.136 ppm2      4.865 CV     1
 ASSI {   16}
   (( segid "SAP" and resid 150  and name HA  ))
   (( segid "SAP" and resid 150  and name HN  ))
      2.900     1.100     1.100 peak    16 spectrum    1 weight  0.10000E+01 volume  0.36572E-02 ppm1      8.375 ppm2      3.804 CV     1
 OR {   16}
   (( segid "SAP" and resid 151  and name HA  ))
   (( segid "SAP" and resid 150  and name HN  ))
 ASSI {   17}
   (( segid "SAP" and resid 150  and name HG  ))
   (( segid "SAP" and resid 150  and name HN  ))
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.76428E-02 ppm1      8.371 ppm2      1.238 CV     1
 ASSI {   18}
   (( segid "SAP" and resid 192  and name HD21))
   (( segid "SAP" and resid 192  and name HD22))
      1.900     0.500     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.27401E-01 ppm1      6.809 ppm2      7.587 CV     1
 ASSI {   19}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 154  and name HE22))
      5.500     3.800     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.35950E-03 ppm1      6.948 ppm2      2.151 CV     1
 ASSI {   20}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 150  and name HN  ))
      3.400     1.400     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.39969E-02 ppm1      8.371 ppm2      0.451 CV     1
 ASSI {   21}
   (  segid "SAP" and resid 150  and name HD2%)
   (( segid "SAP" and resid 150  and name HN  ))
      3.700     1.700     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.24457E-02 ppm1      8.372 ppm2      0.191 CV     1
 ASSI {   22}
   (( segid "SAP" and resid 151  and name HB1 ))
   (( segid "SAP" and resid 151  and name HN  ))
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.12002E-01 ppm1      7.990 ppm2      3.201 CV     1
 ASSI {   23}
   (( segid "SAP" and resid 151  and name HB2 ))
   (( segid "SAP" and resid 151  and name HN  ))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.84920E-02 ppm1      7.989 ppm2      3.024 CV     1
 ASSI {   24}
   (( segid "SAP" and resid 151  and name HA  ))
   (( segid "SAP" and resid 152  and name HN  ))
      3.000     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.40422E-02 ppm1      7.106 ppm2      3.819 CV     1
 OR {   24}
   (( segid "SAP" and resid 150  and name HA  ))
   (( segid "SAP" and resid 152  and name HN  ))
 ASSI {   25}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 192  and name HD21))
      3.500     1.600     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      7.592 ppm2      2.915 CV     1
 ASSI {   26}
   (( segid "SAP" and resid 192  and name HB2 ))
   (( segid "SAP" and resid 192  and name HD21))
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.53273E-02 ppm1      7.592 ppm2      2.624 CV     1
 OR {   26}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HE21))
 OR {   26}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HE21))
 ASSI {   27}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 152  and name HN  ))
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.55651E-02 ppm1      7.102 ppm2      4.089 CV     1
 ASSI {   28}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HE22))
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      6.947 ppm2      2.616 CV     1
 OR {   28}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HE22))
 ASSI {   29}
   (( segid "SAP" and resid 128  and name HB1 ))
   (( segid "SAP" and resid 128  and name HD22))
      4.800     2.900     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.67370E-03 ppm1      6.898 ppm2      2.863 CV     1
 OR {   29}
   (( segid "SAP" and resid 209  and name HB1 ))
   (( segid "SAP" and resid 209  and name HD22))
 ASSI {   30}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 152  and name HN  ))
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10700E-01 ppm1      7.102 ppm2      2.326 CV     1
 OR {   30}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 152  and name HN  ))
 ASSI {   31}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 209  and name HD22))
      4.100     2.100     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.16248E-02 ppm1      6.897 ppm2      2.688 CV     1
 ASSI {   32}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 153  and name HN  ))
      3.400     1.400     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.19079E-02 ppm1      7.177 ppm2      4.087 CV     1
 ASSI {   33}
   (( segid "SAP" and resid 153  and name HG  ))
   (( segid "SAP" and resid 153  and name HN  ))
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.84354E-02 ppm1      7.177 ppm2      1.634 CV     1
 ASSI {   34}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 153  and name HN  ))
      2.900     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.93412E-02 ppm1      7.177 ppm2      1.882 CV     1
 ASSI {   35}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 209  and name HD21))
      3.300     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.18796E-02 ppm1      7.369 ppm2      2.683 CV     1
 ASSI {   36}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 153  and name HN  ))
      3.800     1.800     1.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.41441E-02 ppm1      7.177 ppm2      0.889 CV     1
 ASSI {   37}
   (( segid "SAP" and resid 153  and name HA  ))
   (( segid "SAP" and resid 154  and name HN  ))
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12229E-01 ppm1      9.160 ppm2      4.442 CV     1
 OR {   37}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 154  and name HN  ))
 ASSI {   38}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 154  and name HN  ))
      3.800     1.800     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.34534E-02 ppm1      9.159 ppm2      0.889 CV     1
 ASSI {   39}
   (( segid "SAP" and resid 154  and name HA  ))
   (( segid "SAP" and resid 154  and name HN  ))
      2.900     1.100     1.100 peak    39 spectrum    1 weight  0.10000E+01 volume  0.37535E-02 ppm1      9.159 ppm2      4.247 CV     1
 ASSI {   40}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 154  and name HN  ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.70201E-02 ppm1      9.159 ppm2      2.618 CV     1
 OR {   40}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 154  and name HN  ))
 ASSI {   41}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 154  and name HN  ))
      3.500     1.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.43989E-02 ppm1      9.159 ppm2      2.402 CV     1
 ASSI {   42}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 154  and name HN  ))
      2.600     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.57746E-02 ppm1      9.158 ppm2      2.159 CV     1
 ASSI {   43}
   (( segid "SAP" and resid 154  and name HA  ))
   (( segid "SAP" and resid 155  and name HN  ))
      2.900     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30798E-02 ppm1      8.855 ppm2      4.249 CV     1
 ASSI {   44}
   (( segid "SAP" and resid 155  and name HB  ))
   (( segid "SAP" and resid 155  and name HN  ))
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.35667E-02 ppm1      8.853 ppm2      2.110 CV     1
 ASSI {   45}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 155  and name HN  ))
      3.400     1.400     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.17663E-02 ppm1      8.852 ppm2      1.052 CV     1
 ASSI {   46}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 156  and name HN  ))
      3.800     1.800     1.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.97942E-03 ppm1      8.943 ppm2      4.443 CV     1
 ASSI {   47}
   (( segid "SAP" and resid 209  and name HB1 ))
   (( segid "SAP" and resid 209  and name HD21))
      3.500     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.12512E-02 ppm1      7.368 ppm2      2.863 CV     1
 ASSI {   48}
   (( segid "SAP" and resid 209  and name HD21))
   (( segid "SAP" and resid 209  and name HD22))
      1.800     0.400     0.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.35214E-01 ppm1      6.899 ppm2      7.367 CV     1
 ASSI {   49}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 157  and name HN  ))
      3.600     1.600     1.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.35497E-02 ppm1      7.452 ppm2      1.440 CV     1
 ASSI {   51}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 158  and name HN  ))
      3.200     1.300     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.62841E-02 ppm1      7.717 ppm2      0.651 CV     1
 OR {   51}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 158  and name HN  ))
 ASSI {   52}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 158  and name HN  ))
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.69069E-02 ppm1      7.718 ppm2      1.569 CV     1
 ASSI {   53}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 152  and name HE21))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.51009E-02 ppm1      7.756 ppm2      2.319 CV     1
 OR {   53}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 152  and name HE21))
 ASSI {   54}
   (( segid "SAP" and resid 159  and name HG1 ))
   (( segid "SAP" and resid 159  and name HN  ))
      2.200     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18739E-01 ppm1      8.652 ppm2      1.878 CV     1
 OR {   54}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 159  and name HN  ))
 OR {   54}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {   55}
   (( segid "SAP" and resid 160  and name HD2 ))
   (( segid "SAP" and resid 160  and name HN  ))
      4.400     2.500     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12681E-02 ppm1      7.836 ppm2      3.453 CV     1
 OR {   55}
   (( segid "SAP" and resid 160  and name HD1 ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {   56}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 152  and name HE22))
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.38950E-02 ppm1      6.632 ppm2      2.330 CV     1
 OR {   56}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 152  and name HE22))
 ASSI {   57}
   (( segid "SAP" and resid 149  and name HB1 ))
   (( segid "SAP" and resid 152  and name HE22))
      4.100     2.100     1.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      6.634 ppm2      2.892 CV     1
 ASSI {   58}
   (( segid "SAP" and resid 161  and name HA  ))
   (( segid "SAP" and resid 161  and name HN  ))
      2.200     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.16644E-01 ppm1      8.490 ppm2      3.869 CV     1
 ASSI {   59}
   (( segid "SAP" and resid 161  and name HB1 ))
   (( segid "SAP" and resid 161  and name HN  ))
      2.600     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.65672E-02 ppm1      8.487 ppm2      2.657 CV     1
 OR {   59}
   (( segid "SAP" and resid 161  and name HB2 ))
   (( segid "SAP" and resid 161  and name HN  ))
 ASSI {   60}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 152  and name HE22))
      5.600     3.900     0.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.51065E-03 ppm1      6.634 ppm2      4.080 CV     1
 ASSI {   61}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      7.837 ppm2      1.572 CV     1
 OR {   61}
   (( segid "SAP" and resid 159  and name HG2 ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {   62}
   (( segid "SAP" and resid 152  and name HN  ))
   (( segid "SAP" and resid 152  and name HE22))
      5.500     3.800     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.34874E-03 ppm1      6.630 ppm2      7.122 CV     1
 ASSI {   63}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 163  and name HN  ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.62275E-02 ppm1      8.186 ppm2      4.164 CV     1
 ASSI {   65}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 163  and name HN  ))
      2.100     0.600     0.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.27627E-01 ppm1      8.187 ppm2      1.942 CV     1
 OR {   65}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {   66}
   (( segid "SAP" and resid 163  and name HG2 ))
   (( segid "SAP" and resid 163  and name HN  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.80957E-02 ppm1      8.191 ppm2      1.600 CV     1
 OR {   66}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 162  and name HN  ))
 OR {   66}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {   67}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 164  and name HN  ))
      2.800     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.87751E-02 ppm1      8.826 ppm2      2.936 CV     1
 ASSI {   68}
   (( segid "SAP" and resid 164  and name HB2 ))
   (( segid "SAP" and resid 164  and name HN  ))
      2.500     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      8.826 ppm2      2.604 CV     1
 ASSI {   69}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 164  and name HN  ))
      2.600     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.94545E-02 ppm1      8.826 ppm2      1.921 CV     1
 OR {   69}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 164  and name HN  ))
 ASSI {   70}
   (( segid "SAP" and resid 149  and name HN  ))
   (( segid "SAP" and resid 152  and name HE22))
      4.800     2.900     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.29156E-03 ppm1      6.634 ppm2      9.131 CV     1
 ASSI {   71}
   (( segid "SAP" and resid 164  and name HB2 ))
   (( segid "SAP" and resid 165  and name HN  ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.67370E-02 ppm1      7.787 ppm2      2.609 CV     1
 ASSI {   72}
   (( segid "SAP" and resid 165  and name HB1 ))
   (( segid "SAP" and resid 165  and name HN  ))
      2.700     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10700E-01 ppm1      7.789 ppm2      2.911 CV     1
 OR {   72}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 165  and name HN  ))
 ASSI {   73}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 166  and name HN  ))
      2.200     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.17890E-01 ppm1      7.554 ppm2      3.805 CV     1
 ASSI {   74}
   (( segid "SAP" and resid 166  and name HB1 ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.200     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.51688E-02 ppm1      7.555 ppm2      2.040 CV     1
 OR {   74}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 166  and name HN  ))
 ASSI {   75}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.554 ppm2      1.801 CV     1
 ASSI {   76}
   (( segid "SAP" and resid 166  and name HG2 ))
   (( segid "SAP" and resid 166  and name HN  ))
      2.600     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.88883E-02 ppm1      7.556 ppm2      1.266 CV     1
 OR {   76}
   (( segid "SAP" and resid 166  and name HG1 ))
   (( segid "SAP" and resid 166  and name HN  ))
 ASSI {   77}
   (( segid "SAP" and resid 167  and name HA  ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.100     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.26099E-02 ppm1      8.273 ppm2      4.528 CV     1
 ASSI {   78}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 167  and name HN  ))
      3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.40366E-02 ppm1      8.276 ppm2      0.775 CV     1
 ASSI {   79}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 167  and name HN  ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.45800E-02 ppm1      8.276 ppm2      0.880 CV     1
 ASSI {   80}
   (( segid "SAP" and resid 149  and name HN  ))
   (( segid "SAP" and resid 152  and name HE21))
      4.100     2.100     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.71899E-03 ppm1      7.757 ppm2      9.127 CV     1
 ASSI {   81}
   (( segid "SAP" and resid 152  and name HE22))
   (( segid "SAP" and resid 152  and name HE21))
      1.700     0.400     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.49084E-01 ppm1      7.758 ppm2      6.629 CV     1
 ASSI {   82}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 169  and name HN  ))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.44045E-02 ppm1      8.088 ppm2      1.066 CV     1
 ASSI {   83}
   (( segid "SAP" and resid 169  and name HB  ))
   (( segid "SAP" and resid 169  and name HN  ))
      3.600     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.15512E-02 ppm1      8.089 ppm2      4.151 CV     1
 ASSI {   85}
   (( segid "SAP" and resid 141  and name HE21))
   (( segid "SAP" and resid 141  and name HE22))
      1.600     0.300     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.74730E-01 ppm1      6.797 ppm2      7.475 CV     1
 ASSI {   87}
   (( segid "SAP" and resid 174  and name HD21))
   (( segid "SAP" and resid 174  and name HD22))
      2.100     0.500     0.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15059E-01 ppm1      6.853 ppm2      7.366 CV     1
 ASSI {   88}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 174  and name HD21))
      3.400     1.400     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.16701E-02 ppm1      7.362 ppm2      2.920 CV     1
 ASSI {   89}
   (( segid "SAP" and resid 174  and name HB1 ))
   (( segid "SAP" and resid 174  and name HD21))
      3.400     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.14153E-02 ppm1      7.368 ppm2      3.280 CV     1
 ASSI {   90}
   (( segid "SAP" and resid 174  and name HB1 ))
   (( segid "SAP" and resid 174  and name HD22))
      4.400     2.400     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.10360E-02 ppm1      6.848 ppm2      3.276 CV     1
 ASSI {   91}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 178  and name HN  ))
      4.000     2.000     2.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.17947E-02 ppm1      8.362 ppm2      2.416 CV     1
 ASSI {   92}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 174  and name HD22))
      4.200     2.200     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      6.853 ppm2      2.911 CV     1
 ASSI {   93}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 177  and name HN  ))
      3.100     1.200     1.200 peak    93 spectrum    1 weight  0.10000E+01 volume  0.93412E-02 ppm1      8.287 ppm2      2.656 CV     1
 ASSI {   94}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 177  and name HN  ))
      2.600     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.55708E-02 ppm1      8.287 ppm2      2.413 CV     1
 ASSI {   95}
   (( segid "SAP" and resid 177  and name HB1 ))
   (( segid "SAP" and resid 177  and name HN  ))
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.77561E-02 ppm1      8.286 ppm2      2.279 CV     1
 ASSI {   96}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 177  and name HE22))
      6.000     4.900     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.18456E-03 ppm1      6.616 ppm2      1.973 CV     1
 ASSI {   97}
   (( segid "SAP" and resid 178  and name HB1 ))
   (( segid "SAP" and resid 178  and name HN  ))
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.10813E-01 ppm1      8.364 ppm2      1.777 CV     1
 ASSI {   98}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 178  and name HN  ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.76428E-02 ppm1      8.365 ppm2      0.800 CV     1
 OR {   98}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 178  and name HN  ))
 ASSI {   99}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 177  and name HE21))
      4.600     2.600     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.40762E-03 ppm1      7.445 ppm2      0.730 CV     1
 ASSI {  100}
   (( segid "SAP" and resid 176  and name HA  ))
   (( segid "SAP" and resid 179  and name HN  ))
      2.900     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.43423E-02 ppm1      8.735 ppm2      4.035 CV     1
 OR {  100}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 179  and name HN  ))
 ASSI {  101}
   (( segid "SAP" and resid 178  and name HB1 ))
   (( segid "SAP" and resid 179  and name HN  ))
      3.200     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.36459E-02 ppm1      8.735 ppm2      1.767 CV     1
 ASSI {  102}
   (( segid "SAP" and resid 178  and name HB2 ))
   (( segid "SAP" and resid 179  and name HN  ))
      2.500     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.53330E-02 ppm1      8.735 ppm2      1.545 CV     1
 OR {  102}
   (( segid "SAP" and resid 178  and name HG  ))
   (( segid "SAP" and resid 179  and name HN  ))
 ASSI {  103}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 177  and name HE22))
      4.600     2.600     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.54462E-03 ppm1      6.616 ppm2      0.720 CV     1
 ASSI {  104}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 177  and name HE21))
      2.900     1.100     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.29666E-02 ppm1      7.441 ppm2      2.413 CV     1
 ASSI {  105}
   (( segid "SAP" and resid 179  and name HA  ))
   (( segid "SAP" and resid 180  and name HN  ))
      3.300     1.300     1.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.21570E-02 ppm1      7.599 ppm2      3.159 CV     1
 ASSI {  106}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 180  and name HN  ))
      3.400     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.25929E-02 ppm1      7.597 ppm2      0.593 CV     1
 ASSI {  107}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 180  and name HN  ))
      3.700     1.700     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.34931E-02 ppm1      7.597 ppm2      0.467 CV     1
 ASSI {  108}
   (( segid "SAP" and resid 180  and name HG1 ))
   (( segid "SAP" and resid 180  and name HN  ))
      2.900     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.54406E-02 ppm1      7.594 ppm2      2.393 CV     1
 ASSI {  109}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 181  and name HN  ))
      2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12002E-01 ppm1      7.382 ppm2      1.919 CV     1
 ASSI {  110}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 181  and name HN  ))
      2.200     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.78693E-02 ppm1      7.382 ppm2      1.736 CV     1
 ASSI {  111}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 181  and name HN  ))
      3.700     1.700     1.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.46989E-02 ppm1      7.380 ppm2      1.297 CV     1
 ASSI {  112}
   (( segid "SAP" and resid 181  and name HA  ))
   (( segid "SAP" and resid 182  and name HN  ))
      3.300     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.22476E-02 ppm1      8.566 ppm2      3.847 CV     1
 ASSI {  113}
   (( segid "SAP" and resid 182  and name HA  ))
   (( segid "SAP" and resid 182  and name HN  ))
      2.900     1.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.36233E-02 ppm1      8.567 ppm2      3.309 CV     1
 ASSI {  114}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 182  and name HN  ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.52821E-02 ppm1      8.567 ppm2      1.924 CV     1
 ASSI {  115}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 182  and name HN  ))
      2.500     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.94545E-02 ppm1      8.568 ppm2      1.702 CV     1
 OR {  115}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 182  and name HN  ))
 ASSI {  116}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 182  and name HN  ))
      4.800     2.800     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.11266E-02 ppm1      8.570 ppm2      1.300 CV     1
 ASSI {  117}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 206  and name HD21))
      3.900     1.900     1.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.88883E-03 ppm1      7.223 ppm2      1.825 CV     1
 OR {  117}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 206  and name HD21))
 ASSI {  118}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 177  and name HE21))
      3.400     1.400     1.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.15852E-02 ppm1      7.442 ppm2      2.657 CV     1
 ASSI {  119}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 177  and name HE22))
      3.900     1.900     1.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19532E-02 ppm1      6.622 ppm2      2.411 CV     1
 ASSI {  120}
   (( segid "SAP" and resid 182  and name HA  ))
   (( segid "SAP" and resid 183  and name HN  ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.25759E-02 ppm1      8.952 ppm2      3.324 CV     1
 OR {  120}
   (( segid "SAP" and resid 186  and name HB1 ))
   (( segid "SAP" and resid 183  and name HN  ))
 ASSI {  121}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 183  and name HN  ))
      2.700     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.43083E-02 ppm1      8.950 ppm2      1.703 CV     1
 ASSI {  122}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 177  and name HE22))
      4.100     2.100     1.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.16135E-02 ppm1      6.617 ppm2      2.660 CV     1
 ASSI {  123}
   (( segid "SAP" and resid 177  and name HE22))
   (( segid "SAP" and resid 177  and name HE21))
      1.900     0.500     0.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.26495E-01 ppm1      7.442 ppm2      6.617 CV     1
 ASSI {  124}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.600     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.90016E-02 ppm1      7.625 ppm2      4.141 CV     1
 ASSI {  126}
   (( segid "SAP" and resid 185  and name HB1 ))
   (( segid "SAP" and resid 184  and name HN  ))
      3.400     1.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.29722E-02 ppm1      7.626 ppm2      3.319 CV     1
 OR {  126}
   (( segid "SAP" and resid 182  and name HA  ))
   (( segid "SAP" and resid 184  and name HN  ))
 ASSI {  127}
   (( segid "SAP" and resid 184  and name HB1 ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.12512E-01 ppm1      7.626 ppm2      3.105 CV     1
 ASSI {  128}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 186  and name HN  ))
      2.600     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.55142E-02 ppm1      9.448 ppm2      3.002 CV     1
 ASSI {  129}
   (( segid "SAP" and resid 186  and name HB1 ))
   (( segid "SAP" and resid 187  and name HN  ))
      2.600     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.48008E-02 ppm1      7.471 ppm2      3.359 CV     1
 ASSI {  130}
   (( segid "SAP" and resid 187  and name HA  ))
   (( segid "SAP" and resid 187  and name HN  ))
      2.700     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.73032E-02 ppm1      7.466 ppm2      3.880 CV     1
 ASSI {  131}
   (( segid "SAP" and resid 188  and name HA  ))
   (( segid "SAP" and resid 188  and name HN  ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.57180E-02 ppm1      7.675 ppm2      4.364 CV     1
 ASSI {  132}
   (( segid "SAP" and resid 187  and name HG1 ))
   (( segid "SAP" and resid 188  and name HN  ))
      3.400     1.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.25929E-02 ppm1      7.674 ppm2      1.692 CV     1
 OR {  132}
   (( segid "SAP" and resid 187  and name HG2 ))
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  133}
   (( segid "SAP" and resid 188  and name HA  ))
   (( segid "SAP" and resid 189  and name HN  ))
      3.400     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.18456E-02 ppm1      7.132 ppm2      4.371 CV     1
 ASSI {  134}
   (( segid "SAP" and resid 219  and name HA  ))
   (( segid "SAP" and resid 220  and name HN  ))
      3.000     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.36403E-02 ppm1      7.961 ppm2      4.052 CV     1
 ASSI {  135}
   (( segid "SAP" and resid 189  and name HA  ))
   (( segid "SAP" and resid 189  and name HN  ))
      2.900     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1      7.132 ppm2      3.741 CV     1
 OR {  135}
   (( segid "SAP" and resid 188  and name HB2 ))
   (( segid "SAP" and resid 189  and name HN  ))
 ASSI {  136}
   (( segid "SAP" and resid 189  and name HG11))
   (( segid "SAP" and resid 189  and name HN  ))
      2.600     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.52877E-02 ppm1      7.132 ppm2      1.509 CV     1
 ASSI {  137}
   (( segid "SAP" and resid 189  and name HB  ))
   (( segid "SAP" and resid 189  and name HN  ))
      2.600     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.61143E-02 ppm1      7.131 ppm2      1.226 CV     1
 ASSI {  138}
   (( segid "SAP" and resid 190  and name HA  ))
   (( segid "SAP" and resid 191  and name HN  ))
      2.200     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.21117E-01 ppm1      8.398 ppm2      4.507 CV     1
 ASSI {  139}
   (( segid "SAP" and resid 192  and name HB2 ))
   (( segid "SAP" and resid 192  and name HN  ))
      2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.35327E-02 ppm1      8.512 ppm2      2.617 CV     1
 ASSI {  140}
   (( segid "SAP" and resid 191  and name HB  ))
   (( segid "SAP" and resid 192  and name HN  ))
      4.300     2.300     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      8.510 ppm2      1.798 CV     1
 ASSI {  141}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 192  and name HN  ))
      3.300     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.33628E-02 ppm1      8.509 ppm2      2.900 CV     1
 ASSI {  142}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 194  and name HN  ))
      3.800     1.800     1.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      8.435 ppm2      3.522 CV     1
 ASSI {  143}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 147  and name HN  ))
      2.700     0.900     0.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.87185E-02 ppm1      7.761 ppm2      1.964 CV     1
 OR {  143}
   (( segid "SAP" and resid 219  and name HB  ))
   (( segid "SAP" and resid 219  and name HN  ))
 ASSI {  144}
   (( segid "SAP" and resid 218  and name HA2 ))
   (( segid "SAP" and resid 219  and name HN  ))
      3.000     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.40988E-02 ppm1      7.781 ppm2      3.936 CV     1
 OR {  144}
   (( segid "SAP" and resid 218  and name HA1 ))
   (( segid "SAP" and resid 219  and name HN  ))
 ASSI {  145}
   (( segid "SAP" and resid 196  and name HB  ))
   (( segid "SAP" and resid 196  and name HN  ))
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.78127E-02 ppm1      8.201 ppm2      4.037 CV     1
 ASSI {  146}
   (( segid "SAP" and resid 197  and name HB1 ))
   (( segid "SAP" and resid 197  and name HN  ))
      3.100     1.200     1.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.73598E-02 ppm1      8.480 ppm2      1.711 CV     1
 ASSI {  147}
   (( segid "SAP" and resid 197  and name HG  ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.400     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.66238E-02 ppm1      8.481 ppm2      1.449 CV     1
 ASSI {  148}
   (  segid "SAP" and resid 197  and name HD1%)
   (( segid "SAP" and resid 197  and name HN  ))
      3.900     1.900     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.38101E-02 ppm1      8.477 ppm2      0.578 CV     1
 ASSI {  149}
   (( segid "SAP" and resid 197  and name HB2 ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.700     0.900     0.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.48914E-02 ppm1      8.480 ppm2      1.155 CV     1
 ASSI {  150}
   (  segid "SAP" and resid 197  and name HD2%)
   (( segid "SAP" and resid 197  and name HN  ))
      3.400     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.28250E-02 ppm1      8.481 ppm2     -0.056 CV     1
 ASSI {  151}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 198  and name HN  ))
      3.700     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.38214E-02 ppm1      8.047 ppm2      1.254 CV     1
 ASSI {  152}
   (( segid "SAP" and resid 197  and name HB1 ))
   (( segid "SAP" and resid 198  and name HN  ))
      3.400     1.500     1.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.44668E-02 ppm1      8.050 ppm2      1.717 CV     1
 ASSI {  153}
   (( segid "SAP" and resid 197  and name HG  ))
   (( segid "SAP" and resid 198  and name HN  ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      8.048 ppm2      1.457 CV     1
 ASSI {  154}
   (( segid "SAP" and resid 197  and name HB2 ))
   (( segid "SAP" and resid 198  and name HN  ))
      2.900     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.30062E-02 ppm1      8.049 ppm2      1.140 CV     1
 ASSI {  155}
   (  segid "SAP" and resid 197  and name HD1%)
   (( segid "SAP" and resid 198  and name HN  ))
      3.200     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.92280E-03 ppm1      8.048 ppm2      0.596 CV     1
 ASSI {  156}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 199  and name HN  ))
      3.600     1.600     1.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.24627E-02 ppm1      8.012 ppm2      1.253 CV     1
 ASSI {  157}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 200  and name HN  ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.55312E-02 ppm1      8.474 ppm2      3.610 CV     1
 ASSI {  158}
   (  segid "SAP" and resid 215  and name HB% )
   (( segid "SAP" and resid 216  and name HN  ))
      3.800     1.800     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.13021E-02 ppm1      8.225 ppm2      1.354 CV     1
 ASSI {  159}
   (( segid "SAP" and resid 200  and name HB2 ))
   (( segid "SAP" and resid 201  and name HN  ))
      4.000     2.000     2.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.28024E-02 ppm1      8.626 ppm2      3.264 CV     1
 ASSI {  160}
   (( segid "SAP" and resid 201  and name HG11))
   (( segid "SAP" and resid 201  and name HN  ))
      2.500     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.48348E-02 ppm1      8.622 ppm2      2.209 CV     1
 ASSI {  161}
   (( segid "SAP" and resid 215  and name HA  ))
   (( segid "SAP" and resid 216  and name HN  ))
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.40422E-02 ppm1      8.229 ppm2      4.271 CV     1
 ASSI {  162}
   (( segid "SAP" and resid 203  and name HB2 ))
   (( segid "SAP" and resid 203  and name HN  ))
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.53330E-02 ppm1      8.488 ppm2      3.987 CV     1
 ASSI {  163}
   (( segid "SAP" and resid 203  and name HB1 ))
   (( segid "SAP" and resid 204  and name HN  ))
      2.800     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.36855E-02 ppm1      7.829 ppm2      4.258 CV     1
 ASSI {  164}
   (( segid "SAP" and resid 203  and name HB2 ))
   (( segid "SAP" and resid 204  and name HN  ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.42630E-02 ppm1      7.830 ppm2      3.988 CV     1
 ASSI {  165}
   (( segid "SAP" and resid 214  and name HB1 ))
   (( segid "SAP" and resid 215  and name HN  ))
      4.200     2.200     1.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.63973E-03 ppm1      8.168 ppm2      1.789 CV     1
 OR {  165}
   (( segid "SAP" and resid 214  and name HB2 ))
   (( segid "SAP" and resid 215  and name HN  ))
 ASSI {  166}
   (( segid "SAP" and resid 214  and name HA  ))
   (( segid "SAP" and resid 215  and name HN  ))
      3.000     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.42007E-02 ppm1      8.169 ppm2      4.273 CV     1
 OR {  166}
   (( segid "SAP" and resid 215  and name HA  ))
   (( segid "SAP" and resid 215  and name HN  ))
 ASSI {  167}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 205  and name HN  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.67370E-02 ppm1      7.966 ppm2      3.976 CV     1
 ASSI {  168}
   (( segid "SAP" and resid 205  and name HD1 ))
   (( segid "SAP" and resid 205  and name HN  ))
      4.000     2.000     2.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.18003E-02 ppm1      7.967 ppm2      3.132 CV     1
 OR {  168}
   (( segid "SAP" and resid 205  and name HD2 ))
   (( segid "SAP" and resid 205  and name HN  ))
 ASSI {  169}
   (( segid "SAP" and resid 205  and name HA  ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.000     1.100     1.100 peak   169 spectrum    1 weight  0.10000E+01 volume  0.42064E-02 ppm1      7.773 ppm2      3.978 CV     1
 ASSI {  170}
   (  segid "SAP" and resid 213  and name HD1%)
   (( segid "SAP" and resid 214  and name HN  ))
      4.900     3.000     1.100 peak   170 spectrum    1 weight  0.10000E+01 volume  0.35214E-03 ppm1      8.174 ppm2      0.862 CV     1
 ASSI {  171}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 208  and name HN  ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.67936E-02 ppm1      8.145 ppm2      4.201 CV     1
 ASSI {  172}
   (( segid "SAP" and resid 208  and name HA  ))
   (( segid "SAP" and resid 209  and name HN  ))
      2.800     1.000     1.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.50782E-02 ppm1      8.335 ppm2      4.186 CV     1
 ASSI {  173}
   (( segid "SAP" and resid 209  and name HB1 ))
   (( segid "SAP" and resid 209  and name HN  ))
      3.300     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      8.336 ppm2      2.864 CV     1
 ASSI {  174}
   (( segid "SAP" and resid 214  and name HG1 ))
   (( segid "SAP" and resid 214  and name HN  ))
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.20664E-02 ppm1      8.170 ppm2      1.398 CV     1
 OR {  174}
   (( segid "SAP" and resid 214  and name HG2 ))
   (( segid "SAP" and resid 214  and name HN  ))
 ASSI {  175}
   (( segid "SAP" and resid 213  and name HB1 ))
   (( segid "SAP" and resid 214  and name HN  ))
      3.500     1.600     1.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.20834E-02 ppm1      8.171 ppm2      1.586 CV     1
 OR {  175}
   (( segid "SAP" and resid 213  and name HB2 ))
   (( segid "SAP" and resid 214  and name HN  ))
 ASSI {  176}
   (( segid "SAP" and resid 210  and name HB1 ))
   (( segid "SAP" and resid 210  and name HN  ))
      3.400     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.21230E-02 ppm1      8.057 ppm2      1.854 CV     1
 ASSI {  177}
   (( segid "SAP" and resid 210  and name HA  ))
   (( segid "SAP" and resid 211  and name HN  ))
      3.500     1.500     1.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14606E-02 ppm1      8.221 ppm2      4.274 CV     1
 ASSI {  178}
   (( segid "SAP" and resid 217  and name HA  ))
   (( segid "SAP" and resid 217  and name HN  ))
      3.600     1.700     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.12512E-02 ppm1      8.216 ppm2      4.400 CV     1
 OR {  178}
   (( segid "SAP" and resid 211  and name HA  ))
   (( segid "SAP" and resid 211  and name HN  ))
 ASSI {  179}
   (( segid "SAP" and resid 214  and name HB1 ))
   (( segid "SAP" and resid 214  and name HN  ))
      3.400     1.500     1.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      8.169 ppm2      1.836 CV     1
 ASSI {  180}
   (( segid "SAP" and resid 214  and name HB2 ))
   (( segid "SAP" and resid 214  and name HN  ))
      2.800     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.49594E-02 ppm1      8.170 ppm2      1.749 CV     1
 ASSI {  181}
   (( segid "SAP" and resid 213  and name HA  ))
   (( segid "SAP" and resid 214  and name HN  ))
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.11776E-01 ppm1      8.167 ppm2      4.265 CV     1
 OR {  181}
   (( segid "SAP" and resid 214  and name HA  ))
   (( segid "SAP" and resid 214  and name HN  ))
 ASSI {  182}
   (  segid "SAP" and resid 213  and name HD1%)
   (( segid "SAP" and resid 213  and name HN  ))
      4.000     2.000     2.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.13587E-02 ppm1      7.989 ppm2      0.851 CV     1
 OR {  182}
   (  segid "SAP" and resid 213  and name HD2%)
   (( segid "SAP" and resid 213  and name HN  ))
 ASSI {  183}
   (( segid "SAP" and resid 213  and name HB2 ))
   (( segid "SAP" and resid 213  and name HN  ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.16248E-01 ppm1      7.990 ppm2      1.594 CV     1
 OR {  183}
   (( segid "SAP" and resid 213  and name HB1 ))
   (( segid "SAP" and resid 213  and name HN  ))
 ASSI {  184}
   (( segid "SAP" and resid 212  and name HB2 ))
   (( segid "SAP" and resid 213  and name HN  ))
      3.600     1.600     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17890E-02 ppm1      7.987 ppm2      2.596 CV     1
 ASSI {  185}
   (  segid "SAP" and resid 219  and name HG2%)
   (( segid "SAP" and resid 219  and name HN  ))
      4.000     2.000     2.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.88317E-03 ppm1      7.779 ppm2      0.842 CV     1
 OR {  185}
   (  segid "SAP" and resid 219  and name HG1%)
   (( segid "SAP" and resid 219  and name HN  ))
 ASSI {  186}
   (( segid "SAP" and resid 212  and name HB1 ))
   (( segid "SAP" and resid 213  and name HN  ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12625E-02 ppm1      7.990 ppm2      2.704 CV     1
 ASSI {  187}
   (( segid "SAP" and resid 219  and name HB  ))
   (( segid "SAP" and resid 220  and name HN  ))
      4.600     2.600     1.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.49594E-03 ppm1      7.959 ppm2      1.983 CV     1
 ASSI {  188}
   (  segid "SAP" and resid 219  and name HG1%)
   (( segid "SAP" and resid 220  and name HN  ))
      4.500     2.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.53840E-03 ppm1      7.959 ppm2      0.853 CV     1
 OR {  188}
   (  segid "SAP" and resid 219  and name HG2%)
   (( segid "SAP" and resid 220  and name HN  ))
 ASSI {  189}
   (( segid "SAP" and resid 211  and name HB2 ))
   (( segid "SAP" and resid 213  and name HN  ))
      4.500     2.600     1.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.49084E-03 ppm1      7.994 ppm2      3.851 CV     1
 OR {  189}
   (( segid "SAP" and resid 211  and name HB1 ))
   (( segid "SAP" and resid 213  and name HN  ))
 ASSI {  190}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 158  and name HN  ))
      3.900     1.900     1.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.23438E-02 ppm1      7.719 ppm2      0.792 CV     1
 ASSI {  191}
   (( segid "SAP" and resid 213  and name HA  ))
   (( segid "SAP" and resid 213  and name HN  ))
      2.800     1.000     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.54859E-02 ppm1      7.988 ppm2      4.263 CV     1
 ASSI {  192}
   (( segid "SAP" and resid 211  and name HA  ))
   (( segid "SAP" and resid 213  and name HN  ))
      4.200     2.300     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.93979E-03 ppm1      7.986 ppm2      4.406 CV     1
 ASSI {  193}
   (( segid "SAP" and resid 212  and name HN  ))
   (( segid "SAP" and resid 213  and name HN  ))
      3.300     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.25193E-02 ppm1      7.990 ppm2      8.292 CV     1
 ASSI {  194}
   (( segid "SAP" and resid 211  and name HB1 ))
   (( segid "SAP" and resid 212  and name HN  ))
      4.300     2.300     1.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.88883E-03 ppm1      8.292 ppm2      3.850 CV     1
 OR {  194}
   (( segid "SAP" and resid 211  and name HB2 ))
   (( segid "SAP" and resid 212  and name HN  ))
 ASSI {  195}
   (( segid "SAP" and resid 211  and name HA  ))
   (( segid "SAP" and resid 212  and name HN  ))
      2.900     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.44159E-02 ppm1      8.290 ppm2      4.390 CV     1
 ASSI {  196}
   (( segid "SAP" and resid 189  and name HG12))
   (( segid "SAP" and resid 189  and name HN  ))
      3.800     1.800     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.35327E-02 ppm1      7.133 ppm2      0.435 CV     1
 ASSI {  197}
   (( segid "SAP" and resid 136  and name HA2 ))
   (( segid "SAP" and resid 137  and name HN  ))
      2.700     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.80391E-02 ppm1      8.229 ppm2      3.931 CV     1
 OR {  197}
   (( segid "SAP" and resid 136  and name HA1 ))
   (( segid "SAP" and resid 137  and name HN  ))
 ASSI {  198}
   (( segid "SAP" and resid 138  and name HB2 ))
   (( segid "SAP" and resid 138  and name HN  ))
      2.900     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.62841E-02 ppm1      8.174 ppm2      3.790 CV     1
 OR {  198}
   (( segid "SAP" and resid 139  and name HD1 ))
   (( segid "SAP" and resid 138  and name HN  ))
 ASSI {  200}
   (( segid "SAP" and resid 140  and name HA  ))
   (( segid "SAP" and resid 140  and name HN  ))
      2.900     1.000     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.49707E-02 ppm1      8.139 ppm2      4.048 CV     1
 ASSI {  201}
   (( segid "SAP" and resid 139  and name HD2 ))
   (( segid "SAP" and resid 140  and name HN  ))
      4.100     2.100     1.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.78127E-03 ppm1      8.137 ppm2      3.679 CV     1
 ASSI {  202}
   (( segid "SAP" and resid 139  and name HB1 ))
   (( segid "SAP" and resid 140  and name HN  ))
      4.200     2.200     1.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      8.134 ppm2      2.273 CV     1
 ASSI {  203}
   (( segid "SAP" and resid 140  and name HB  ))
   (( segid "SAP" and resid 140  and name HN  ))
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.82090E-02 ppm1      8.140 ppm2      2.028 CV     1
 ASSI {  204}
   (( segid "SAP" and resid 139  and name HB2 ))
   (( segid "SAP" and resid 140  and name HN  ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.50726E-02 ppm1      8.140 ppm2      1.882 CV     1
 ASSI {  205}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 140  and name HN  ))
      2.800     1.000     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.68502E-02 ppm1      8.139 ppm2      0.929 CV     1
 OR {  205}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 140  and name HN  ))
 ASSI {  206}
   (( segid "SAP" and resid 141  and name HA  ))
   (( segid "SAP" and resid 141  and name HN  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.49537E-02 ppm1      8.338 ppm2      4.369 CV     1
 ASSI {  207}
   (( segid "SAP" and resid 140  and name HA  ))
   (( segid "SAP" and resid 141  and name HN  ))
      2.300     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.18343E-01 ppm1      8.340 ppm2      4.054 CV     1
 ASSI {  208}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 141  and name HN  ))
      3.400     1.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.27231E-02 ppm1      8.339 ppm2      2.320 CV     1
 OR {  208}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 141  and name HN  ))
 ASSI {  209}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 141  and name HN  ))
      3.200     1.300     1.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.39120E-02 ppm1      8.340 ppm2      2.066 CV     1
 OR {  209}
   (( segid "SAP" and resid 140  and name HB  ))
   (( segid "SAP" and resid 141  and name HN  ))
 ASSI {  210}
   (( segid "SAP" and resid 141  and name HB2 ))
   (( segid "SAP" and resid 141  and name HN  ))
      2.700     0.900     0.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.79825E-02 ppm1      8.339 ppm2      1.925 CV     1
 ASSI {  211}
   (( segid "SAP" and resid 143  and name HN  ))
   (( segid "SAP" and resid 142  and name HN  ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      8.351 ppm2      8.020 CV     1
 ASSI {  212}
   (( segid "SAP" and resid 141  and name HA  ))
   (( segid "SAP" and resid 142  and name HN  ))
      2.300     0.600     0.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.16531E-01 ppm1      8.351 ppm2      4.365 CV     1
 ASSI {  213}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 142  and name HN  ))
      4.600     2.600     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.65672E-03 ppm1      8.348 ppm2      2.321 CV     1
 OR {  213}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 142  and name HN  ))
 ASSI {  214}
   (( segid "SAP" and resid 141  and name HB1 ))
   (( segid "SAP" and resid 142  and name HN  ))
      4.000     2.000     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      8.346 ppm2      2.062 CV     1
 ASSI {  215}
   (( segid "SAP" and resid 141  and name HB2 ))
   (( segid "SAP" and resid 142  and name HN  ))
      4.400     2.500     1.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      8.348 ppm2      1.922 CV     1
 ASSI {  216}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 142  and name HN  ))
      3.800     1.800     1.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.86053E-03 ppm1      8.343 ppm2      0.906 CV     1
 OR {  216}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 142  and name HN  ))
 OR {  216}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 142  and name HN  ))
 ASSI {  217}
   (( segid "SAP" and resid 143  and name HA  ))
   (( segid "SAP" and resid 143  and name HN  ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.57180E-02 ppm1      8.023 ppm2      4.204 CV     1
 ASSI {  219}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 143  and name HN  ))
      2.800     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.94545E-02 ppm1      8.024 ppm2      1.872 CV     1
 ASSI {  220}
   (( segid "SAP" and resid 143  and name HG11))
   (( segid "SAP" and resid 143  and name HN  ))
      3.100     1.200     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      8.025 ppm2      1.417 CV     1
 ASSI {  221}
   (( segid "SAP" and resid 143  and name HG12))
   (( segid "SAP" and resid 143  and name HN  ))
      2.500     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.79259E-02 ppm1      8.025 ppm2      1.151 CV     1
 ASSI {  222}
   (( segid "SAP" and resid 142  and name HN  ))
   (( segid "SAP" and resid 143  and name HN  ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.82090E-02 ppm1      8.024 ppm2      8.331 CV     1
 OR {  222}
   (( segid "SAP" and resid 144  and name HN  ))
   (( segid "SAP" and resid 143  and name HN  ))
 ASSI {  223}
   (  segid "SAP" and resid 143  and name HD1%)
   (( segid "SAP" and resid 143  and name HN  ))
      3.100     1.200     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.56217E-02 ppm1      8.024 ppm2      0.885 CV     1
 OR {  223}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 143  and name HN  ))
 ASSI {  224}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 208  and name HN  ))
      2.100     0.600     0.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.30288E-01 ppm1      8.141 ppm2      4.463 CV     1
 OR {  224}
   (( segid "SAP" and resid 139  and name HA  ))
   (( segid "SAP" and resid 140  and name HN  ))
 ASSI {  225}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 196  and name HN  ))
      4.100     2.100     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.173 ppm2      3.947 CV     1
 OR {  225}
   (( segid "SAP" and resid 136  and name HA2 ))
   (( segid "SAP" and resid 138  and name HN  ))
 OR {  225}
   (( segid "SAP" and resid 136  and name HA1 ))
   (( segid "SAP" and resid 138  and name HN  ))
 ASSI {  226}
   (( segid "SAP" and resid 145  and name HN  ))
   (( segid "SAP" and resid 144  and name HN  ))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.93979E-02 ppm1      8.319 ppm2      8.045 CV     1
 ASSI {  227}
   (( segid "SAP" and resid 143  and name HA  ))
   (( segid "SAP" and resid 144  and name HN  ))
      2.100     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.22136E-01 ppm1      8.319 ppm2      4.202 CV     1
 ASSI {  228}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 144  and name HN  ))
      2.800     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.79259E-02 ppm1      8.319 ppm2      1.882 CV     1
 ASSI {  229}
   (( segid "SAP" and resid 143  and name HG11))
   (( segid "SAP" and resid 144  and name HN  ))
      4.300     2.300     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.95111E-03 ppm1      8.318 ppm2      1.418 CV     1
 ASSI {  230}
   (( segid "SAP" and resid 143  and name HG12))
   (( segid "SAP" and resid 144  and name HN  ))
      4.400     2.400     1.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10474E-02 ppm1      8.317 ppm2      1.170 CV     1
 ASSI {  232}
   (( segid "SAP" and resid 145  and name HB  ))
   (( segid "SAP" and resid 145  and name HN  ))
      2.500     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.10813E-01 ppm1      8.082 ppm2      4.085 CV     1
 ASSI {  233}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 182  and name HN  ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.89450E-02 ppm1      8.567 ppm2      0.756 CV     1
 ASSI {  234}
   (( segid "SAP" and resid 210  and name HB2 ))
   (( segid "SAP" and resid 210  and name HN  ))
      3.100     1.200     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      8.057 ppm2      1.729 CV     1
 ASSI {  236}
   (( segid "SAP" and resid 143  and name HB  ))
   (( segid "SAP" and resid 145  and name HN  ))
      4.100     2.100     1.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.90582E-03 ppm1      8.084 ppm2      1.891 CV     1
 OR {  236}
   (( segid "SAP" and resid 146  and name HG1 ))
   (( segid "SAP" and resid 145  and name HN  ))
 OR {  236}
   (( segid "SAP" and resid 146  and name HG2 ))
   (( segid "SAP" and resid 145  and name HN  ))
 ASSI {  237}
   (( segid "SAP" and resid 143  and name HG11))
   (( segid "SAP" and resid 145  and name HN  ))
      4.600     2.600     1.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.61143E-03 ppm1      8.079 ppm2      1.409 CV     1
 ASSI {  238}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 145  and name HN  ))
      3.500     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.39856E-02 ppm1      8.081 ppm2      1.222 CV     1
 ASSI {  239}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 145  and name HN  ))
      4.000     2.000     2.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13927E-02 ppm1      8.081 ppm2      0.892 CV     1
 ASSI {  240}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 145  and name HN  ))
      3.300     1.400     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      8.083 ppm2      3.801 CV     1
 ASSI {  241}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 145  and name HN  ))
      4.000     2.000     2.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      8.082 ppm2      3.689 CV     1
 ASSI {  244}
   (( segid "SAP" and resid 146  and name HA  ))
   (( segid "SAP" and resid 147  and name HN  ))
      1.900     0.500     0.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.33968E-01 ppm1      7.754 ppm2      4.274 CV     1
 ASSI {  245}
   (( segid "SAP" and resid 146  and name HD2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      4.700     2.800     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.49877E-03 ppm1      7.752 ppm2      3.682 CV     1
 ASSI {  246}
   (( segid "SAP" and resid 146  and name HD1 ))
   (( segid "SAP" and resid 147  and name HN  ))
      3.500     3.500     2.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.57180E-03 ppm1      7.758 ppm2      3.798 CV     1
 ASSI {  247}
   (( segid "SAP" and resid 147  and name HG2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.86053E-02 ppm1      7.755 ppm2      2.204 CV     1
 OR {  247}
   (( segid "SAP" and resid 147  and name HG1 ))
   (( segid "SAP" and resid 147  and name HN  ))
 ASSI {  248}
   (( segid "SAP" and resid 147  and name HB2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      2.500     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17607E-01 ppm1      7.753 ppm2      1.750 CV     1
 OR {  248}
   (( segid "SAP" and resid 146  and name HB1 ))
   (( segid "SAP" and resid 147  and name HN  ))
 ASSI {  249}
   (  segid "SAP" and resid 145  and name HG2%)
   (( segid "SAP" and resid 147  and name HN  ))
      4.300     2.300     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.56104E-03 ppm1      7.750 ppm2      1.221 CV     1
 ASSI {  250}
   (( segid "SAP" and resid 146  and name HB2 ))
   (( segid "SAP" and resid 147  and name HN  ))
      2.900     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.59444E-02 ppm1      7.754 ppm2      1.044 CV     1
 ASSI {  252}
   (( segid "SAP" and resid 147  and name HN  ))
   (( segid "SAP" and resid 148  and name HN  ))
      3.900     1.900     1.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      8.590 ppm2      7.755 CV     1
 ASSI {  253}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 210  and name HN  ))
      4.500     2.600     1.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.70201E-03 ppm1      8.058 ppm2      2.688 CV     1
 ASSI {  254}
   (( segid "SAP" and resid 210  and name HA  ))
   (( segid "SAP" and resid 210  and name HN  ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.28873E-02 ppm1      8.056 ppm2      4.277 CV     1
 ASSI {  255}
   (( segid "SAP" and resid 147  and name HA  ))
   (( segid "SAP" and resid 148  and name HN  ))
      2.300     0.600     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.15739E-01 ppm1      8.590 ppm2      4.536 CV     1
 ASSI {  256}
   (( segid "SAP" and resid 148  and name HA  ))
   (( segid "SAP" and resid 148  and name HN  ))
      2.900     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.40422E-02 ppm1      8.593 ppm2      3.898 CV     1
 ASSI {  257}
   (( segid "SAP" and resid 209  and name HN  ))
   (( segid "SAP" and resid 210  and name HN  ))
      3.600     1.600     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.053 ppm2      8.324 CV     1
 ASSI {  258}
   (( segid "SAP" and resid 147  and name HG1 ))
   (( segid "SAP" and resid 148  and name HN  ))
      3.600     1.600     1.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.35836E-02 ppm1      8.592 ppm2      2.202 CV     1
 OR {  258}
   (( segid "SAP" and resid 147  and name HG2 ))
   (( segid "SAP" and resid 148  and name HN  ))
 ASSI {  259}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 148  and name HN  ))
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.68502E-02 ppm1      8.590 ppm2      1.968 CV     1
 ASSI {  260}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 148  and name HN  ))
      2.600     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.87751E-02 ppm1      8.590 ppm2      0.972 CV     1
 ASSI {  261}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 148  and name HN  ))
      3.500     1.500     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.35723E-02 ppm1      8.592 ppm2      0.661 CV     1
 ASSI {  262}
   (( segid "SAP" and resid 148  and name HB  ))
   (( segid "SAP" and resid 148  and name HN  ))
      2.400     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.12512E-01 ppm1      8.590 ppm2      1.813 CV     1
 ASSI {  263}
   (( segid "SAP" and resid 148  and name HN  ))
   (( segid "SAP" and resid 149  and name HN  ))
      4.600     2.600     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.78693E-03 ppm1      9.134 ppm2      8.590 CV     1
 ASSI {  265}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 149  and name HN  ))
      5.200     3.400     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.35553E-03 ppm1      9.126 ppm2      7.129 CV     1
 OR {  265}
   (( segid "SAP" and resid 152  and name HN  ))
   (( segid "SAP" and resid 149  and name HN  ))
 ASSI {  266}
   (( segid "SAP" and resid 148  and name HA  ))
   (( segid "SAP" and resid 149  and name HN  ))
      2.200     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.16531E-01 ppm1      9.135 ppm2      3.900 CV     1
 ASSI {  268}
   (( segid "SAP" and resid 149  and name HB1 ))
   (( segid "SAP" and resid 149  and name HN  ))
      3.200     1.300     1.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.53670E-02 ppm1      9.132 ppm2      2.891 CV     1
 ASSI {  269}
   (( segid "SAP" and resid 149  and name HB2 ))
   (( segid "SAP" and resid 149  and name HN  ))
      2.600     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.59444E-02 ppm1      9.134 ppm2      2.497 CV     1
 ASSI {  270}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 149  and name HN  ))
      4.000     2.000     2.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      9.132 ppm2      2.336 CV     1
 OR {  270}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 149  and name HN  ))
 ASSI {  271}
   (( segid "SAP" and resid 147  and name HG1 ))
   (( segid "SAP" and resid 149  and name HN  ))
      4.500     2.600     1.500 peak   271 spectrum    1 weight  0.10000E+01 volume  0.51462E-03 ppm1      9.134 ppm2      2.197 CV     1
 OR {  271}
   (( segid "SAP" and resid 147  and name HG2 ))
   (( segid "SAP" and resid 149  and name HN  ))
 ASSI {  272}
   (( segid "SAP" and resid 147  and name HB1 ))
   (( segid "SAP" and resid 149  and name HN  ))
      4.100     2.100     1.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.16191E-02 ppm1      9.135 ppm2      1.964 CV     1
 OR {  272}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 149  and name HN  ))
 ASSI {  273}
   (( segid "SAP" and resid 148  and name HB  ))
   (( segid "SAP" and resid 149  and name HN  ))
      3.900     1.900     1.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.18682E-02 ppm1      9.132 ppm2      1.807 CV     1
 ASSI {  274}
   (  segid "SAP" and resid 148  and name HG1%)
   (( segid "SAP" and resid 149  and name HN  ))
      3.500     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.21740E-02 ppm1      9.133 ppm2      0.970 CV     1
 ASSI {  275}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 149  and name HN  ))
      2.900     1.000     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.50103E-02 ppm1      9.133 ppm2      0.677 CV     1
 ASSI {  276}
   (( segid "SAP" and resid 149  and name HN  ))
   (( segid "SAP" and resid 150  and name HN  ))
      4.400     2.400     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.58878E-03 ppm1      8.378 ppm2      9.142 CV     1
 ASSI {  278}
   (( segid "SAP" and resid 149  and name HA  ))
   (( segid "SAP" and resid 150  and name HN  ))
      2.300     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.13757E-01 ppm1      8.371 ppm2      4.862 CV     1
 ASSI {  279}
   (( segid "SAP" and resid 151  and name HB1 ))
   (( segid "SAP" and resid 150  and name HN  ))
      5.200     3.400     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.63973E-03 ppm1      8.375 ppm2      3.204 CV     1
 ASSI {  280}
   (( segid "SAP" and resid 149  and name HB1 ))
   (( segid "SAP" and resid 150  and name HN  ))
      4.600     2.600     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.51462E-03 ppm1      8.372 ppm2      2.894 CV     1
 ASSI {  281}
   (( segid "SAP" and resid 149  and name HB2 ))
   (( segid "SAP" and resid 150  and name HN  ))
      4.000     2.000     2.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.17550E-02 ppm1      8.374 ppm2      2.496 CV     1
 ASSI {  282}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 150  and name HN  ))
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      8.371 ppm2      0.673 CV     1
 OR {  282}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 150  and name HN  ))
 ASSI {  283}
   (( segid "SAP" and resid 150  and name HN  ))
   (( segid "SAP" and resid 151  and name HN  ))
      2.500     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.70767E-02 ppm1      7.989 ppm2      8.373 CV     1
 ASSI {  284}
   (( segid "SAP" and resid 152  and name HN  ))
   (( segid "SAP" and resid 151  and name HN  ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      7.989 ppm2      7.104 CV     1
 OR {  284}
   (  segid "SAP" and resid 151  and name HD% )
   (( segid "SAP" and resid 151  and name HN  ))
 ASSI {  285}
   (( segid "SAP" and resid 149  and name HA  ))
   (( segid "SAP" and resid 151  and name HN  ))
      3.500     1.500     1.500 peak   285 spectrum    1 weight  0.10000E+01 volume  0.29949E-02 ppm1      7.986 ppm2      4.874 CV     1
 ASSI {  286}
   (( segid "SAP" and resid 151  and name HA  ))
   (( segid "SAP" and resid 151  and name HN  ))
      2.600     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.81524E-02 ppm1      7.988 ppm2      3.820 CV     1
 OR {  286}
   (( segid "SAP" and resid 150  and name HA  ))
   (( segid "SAP" and resid 151  and name HN  ))
 ASSI {  287}
   (( segid "SAP" and resid 152  and name HA  ))
   (( segid "SAP" and resid 151  and name HN  ))
      4.500     2.600     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.97942E-03 ppm1      7.996 ppm2      4.100 CV     1
 ASSI {  288}
   (( segid "SAP" and resid 149  and name HB2 ))
   (( segid "SAP" and resid 151  and name HN  ))
      4.900     3.000     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.44725E-03 ppm1      7.986 ppm2      2.506 CV     1
 ASSI {  289}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 151  and name HN  ))
      4.200     2.200     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      7.992 ppm2      2.324 CV     1
 OR {  289}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 151  and name HN  ))
 ASSI {  290}
   (( segid "SAP" and resid 150  and name HB1 ))
   (( segid "SAP" and resid 151  and name HN  ))
      3.700     1.700     1.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      7.991 ppm2      1.481 CV     1
 ASSI {  291}
   (( segid "SAP" and resid 150  and name HB2 ))
   (( segid "SAP" and resid 151  and name HN  ))
      3.400     1.500     1.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.15116E-02 ppm1      7.990 ppm2      1.090 CV     1
 ASSI {  292}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 151  and name HN  ))
      3.500     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.29099E-02 ppm1      7.988 ppm2      0.458 CV     1
 OR {  292}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 151  and name HN  ))
 ASSI {  293}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 151  and name HN  ))
      3.400     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.19305E-02 ppm1      7.989 ppm2      0.592 CV     1
 ASSI {  294}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 151  and name HN  ))
      4.200     2.200     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      7.993 ppm2      0.704 CV     1
 OR {  294}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 151  and name HN  ))
 ASSI {  295}
   (  segid "SAP" and resid 150  and name HD2%)
   (( segid "SAP" and resid 151  and name HN  ))
      4.800     2.800     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.86619E-03 ppm1      7.992 ppm2      0.176 CV     1
 ASSI {  296}
   (( segid "SAP" and resid 150  and name HN  ))
   (( segid "SAP" and resid 152  and name HN  ))
      4.700     2.700     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.66238E-03 ppm1      7.100 ppm2      8.371 CV     1
 ASSI {  297}
   (( segid "SAP" and resid 151  and name HN  ))
   (( segid "SAP" and resid 152  and name HN  ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.76428E-02 ppm1      7.101 ppm2      7.991 CV     1
 ASSI {  298}
   (( segid "SAP" and resid 153  and name HG  ))
   (( segid "SAP" and resid 152  and name HN  ))
      4.100     2.100     1.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      7.103 ppm2      1.615 CV     1
 ASSI {  299}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 152  and name HN  ))
      4.800     2.900     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.60010E-03 ppm1      7.101 ppm2      1.191 CV     1
 ASSI {  300}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 152  and name HN  ))
      3.400     3.400     2.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.70767E-03 ppm1      7.093 ppm2      0.580 CV     1
 ASSI {  301}
   (( segid "SAP" and resid 154  and name HN  ))
   (( segid "SAP" and resid 153  and name HN  ))
      4.600     2.600     1.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.69069E-03 ppm1      7.177 ppm2      9.155 CV     1
 ASSI {  302}
   (( segid "SAP" and resid 151  and name HN  ))
   (( segid "SAP" and resid 153  and name HN  ))
      4.800     2.900     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.36855E-03 ppm1      7.171 ppm2      7.990 CV     1
 ASSI {  303}
   (( segid "SAP" and resid 150  and name HA  ))
   (( segid "SAP" and resid 153  and name HN  ))
      3.200     1.300     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      7.176 ppm2      3.826 CV     1
 ASSI {  304}
   (( segid "SAP" and resid 152  and name HG1 ))
   (( segid "SAP" and resid 153  and name HN  ))
      3.300     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      7.175 ppm2      2.318 CV     1
 OR {  304}
   (( segid "SAP" and resid 152  and name HG2 ))
   (( segid "SAP" and resid 153  and name HN  ))
 ASSI {  305}
   (( segid "SAP" and resid 152  and name HB1 ))
   (( segid "SAP" and resid 153  and name HN  ))
      3.600     1.600     1.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.21740E-02 ppm1      7.175 ppm2      2.116 CV     1
 ASSI {  306}
   (( segid "SAP" and resid 150  and name HB1 ))
   (( segid "SAP" and resid 153  and name HN  ))
      3.800     1.800     1.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      7.175 ppm2      1.466 CV     1
 OR {  306}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 153  and name HN  ))
 ASSI {  307}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 153  and name HN  ))
      4.200     2.200     1.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.40479E-03 ppm1      7.175 ppm2      0.449 CV     1
 OR {  307}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 153  and name HN  ))
 ASSI {  308}
   (  segid "SAP" and resid 150  and name HD2%)
   (( segid "SAP" and resid 153  and name HN  ))
      5.500     3.800     0.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.56047E-03 ppm1      7.179 ppm2      0.189 CV     1
 ASSI {  309}
   (( segid "SAP" and resid 157  and name HN  ))
   (( segid "SAP" and resid 154  and name HN  ))
      4.000     2.000     2.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.77561E-03 ppm1      9.160 ppm2      7.469 CV     1
 ASSI {  311}
   (( segid "SAP" and resid 154  and name HN  ))
   (( segid "SAP" and resid 157  and name HN  ))
      4.300     2.300     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.54066E-03 ppm1      7.458 ppm2      9.149 CV     1
 ASSI {  312}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 154  and name HN  ))
      3.300     1.300     1.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      9.156 ppm2      1.885 CV     1
 ASSI {  313}
   (( segid "SAP" and resid 153  and name HG  ))
   (( segid "SAP" and resid 154  and name HN  ))
      4.900     3.000     1.100 peak   313 spectrum    1 weight  0.10000E+01 volume  0.60010E-03 ppm1      9.159 ppm2      1.607 CV     1
 ASSI {  314}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 154  and name HN  ))
      4.700     2.700     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.62841E-03 ppm1      9.158 ppm2      1.438 CV     1
 ASSI {  315}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 154  and name HN  ))
      3.400     1.400     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.29213E-02 ppm1      9.158 ppm2      1.193 CV     1
 ASSI {  316}
   (  segid "SAP" and resid 153  and name HD2%)
   (( segid "SAP" and resid 154  and name HN  ))
      4.300     2.300     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.13361E-02 ppm1      9.156 ppm2      0.721 CV     1
 ASSI {  317}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 155  and name HN  ))
      5.300     3.500     0.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.43592E-03 ppm1      8.848 ppm2      2.609 CV     1
 OR {  317}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 155  and name HN  ))
 ASSI {  318}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 155  and name HN  ))
      3.700     1.700     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.63973E-03 ppm1      8.851 ppm2      2.393 CV     1
 ASSI {  319}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 155  and name HN  ))
      3.800     1.800     1.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.63973E-03 ppm1      8.853 ppm2      0.949 CV     1
 ASSI {  321}
   (( segid "SAP" and resid 158  and name HN  ))
   (( segid "SAP" and resid 156  and name HN  ))
      4.300     2.300     1.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.46310E-03 ppm1      8.954 ppm2      7.709 CV     1
 ASSI {  322}
   (( segid "SAP" and resid 156  and name HB1 ))
   (( segid "SAP" and resid 156  and name HN  ))
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.40818E-02 ppm1      8.951 ppm2      2.856 CV     1
 ASSI {  323}
   (( segid "SAP" and resid 155  and name HB  ))
   (( segid "SAP" and resid 156  and name HN  ))
      4.000     2.000     2.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.80391E-03 ppm1      8.948 ppm2      2.078 CV     1
 ASSI {  324}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 156  and name HN  ))
      4.200     2.200     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.51292E-03 ppm1      8.950 ppm2      2.157 CV     1
 ASSI {  325}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 156  and name HN  ))
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.88317E-03 ppm1      8.952 ppm2      0.942 CV     1
 ASSI {  326}
   (( segid "SAP" and resid 156  and name HN  ))
   (( segid "SAP" and resid 157  and name HN  ))
      3.400     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.15003E-02 ppm1      7.455 ppm2      8.945 CV     1
 ASSI {  327}
   (( segid "SAP" and resid 158  and name HN  ))
   (( segid "SAP" and resid 157  and name HN  ))
      2.600     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.67936E-02 ppm1      7.457 ppm2      7.718 CV     1
 ASSI {  328}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 157  and name HN  ))
      2.500     0.800     0.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.10190E-01 ppm1      7.456 ppm2      4.426 CV     1
 OR {  328}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 157  and name HN  ))
 ASSI {  329}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 157  and name HN  ))
      3.900     1.900     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      7.455 ppm2      3.620 CV     1
 ASSI {  330}
   (( segid "SAP" and resid 156  and name HB1 ))
   (( segid "SAP" and resid 157  and name HN  ))
      2.900     1.100     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.41101E-02 ppm1      7.455 ppm2      2.848 CV     1
 OR {  330}
   (( segid "SAP" and resid 156  and name HB2 ))
   (( segid "SAP" and resid 157  and name HN  ))
 ASSI {  331}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 157  and name HN  ))
      3.700     1.700     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.39460E-02 ppm1      7.459 ppm2      2.607 CV     1
 OR {  331}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 157  and name HN  ))
 ASSI {  332}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 157  and name HN  ))
      4.000     2.000     2.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.19249E-02 ppm1      7.453 ppm2      2.399 CV     1
 ASSI {  333}
   (( segid "SAP" and resid 154  and name HB2 ))
   (( segid "SAP" and resid 157  and name HN  ))
      2.700     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.52254E-02 ppm1      7.459 ppm2      2.138 CV     1
 ASSI {  334}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 157  and name HN  ))
      3.700     1.700     1.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.22136E-02 ppm1      7.457 ppm2      1.573 CV     1
 ASSI {  335}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 157  and name HN  ))
      4.400     2.400     1.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.90582E-03 ppm1      7.455 ppm2      1.176 CV     1
 OR {  335}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 157  and name HN  ))
 ASSI {  336}
   (( segid "SAP" and resid 159  and name HN  ))
   (( segid "SAP" and resid 158  and name HN  ))
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31081E-02 ppm1      7.714 ppm2      8.655 CV     1
 ASSI {  338}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 158  and name HN  ))
      3.400     1.400     1.400 peak   338 spectrum    1 weight  0.10000E+01 volume  0.18739E-02 ppm1      7.718 ppm2      3.613 CV     1
 ASSI {  339}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 158  and name HN  ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      7.712 ppm2      4.159 CV     1
 ASSI {  340}
   (( segid "SAP" and resid 156  and name HB2 ))
   (( segid "SAP" and resid 158  and name HN  ))
      4.400     2.400     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      7.718 ppm2      2.820 CV     1
 ASSI {  341}
   (( segid "SAP" and resid 161  and name HB1 ))
   (( segid "SAP" and resid 158  and name HN  ))
      4.200     2.200     1.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.71899E-03 ppm1      7.717 ppm2      2.651 CV     1
 OR {  341}
   (( segid "SAP" and resid 154  and name HG1 ))
   (( segid "SAP" and resid 158  and name HN  ))
 OR {  341}
   (( segid "SAP" and resid 154  and name HG2 ))
   (( segid "SAP" and resid 158  and name HN  ))
 ASSI {  342}
   (( segid "SAP" and resid 158  and name HB1 ))
   (( segid "SAP" and resid 158  and name HN  ))
      3.300     1.300     1.300 peak   342 spectrum    1 weight  0.10000E+01 volume  0.46933E-02 ppm1      7.718 ppm2      2.069 CV     1
 ASSI {  343}
   (( segid "SAP" and resid 153  and name HB1 ))
   (( segid "SAP" and resid 158  and name HN  ))
      3.700     1.700     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      7.718 ppm2      1.851 CV     1
 OR {  343}
   (( segid "SAP" and resid 159  and name HG1 ))
   (( segid "SAP" and resid 158  and name HN  ))
 ASSI {  344}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 158  and name HN  ))
      4.000     2.000     2.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.15229E-02 ppm1      7.718 ppm2      0.935 CV     1
 ASSI {  345}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 158  and name HN  ))
      4.400     2.400     1.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.13927E-02 ppm1      7.718 ppm2      1.055 CV     1
 ASSI {  346}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 158  and name HN  ))
      3.400     1.500     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      7.719 ppm2      1.452 CV     1
 ASSI {  348}
   (( segid "SAP" and resid 158  and name HN  ))
   (( segid "SAP" and resid 159  and name HN  ))
      2.900     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.37761E-02 ppm1      8.655 ppm2      7.707 CV     1
 ASSI {  349}
   (( segid "SAP" and resid 157  and name HN  ))
   (( segid "SAP" and resid 159  and name HN  ))
      4.300     2.400     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.62275E-03 ppm1      8.656 ppm2      7.447 CV     1
 ASSI {  350}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 159  and name HN  ))
      3.300     1.400     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.22929E-02 ppm1      8.654 ppm2      4.449 CV     1
 OR {  350}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  351}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 159  and name HN  ))
      2.600     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.66804E-02 ppm1      8.654 ppm2      3.947 CV     1
 OR {  351}
   (( segid "SAP" and resid 158  and name HA  ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  352}
   (( segid "SAP" and resid 155  and name HA  ))
   (( segid "SAP" and resid 159  and name HN  ))
      3.700     1.700     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      8.650 ppm2      3.619 CV     1
 ASSI {  353}
   (( segid "SAP" and resid 158  and name HB1 ))
   (( segid "SAP" and resid 159  and name HN  ))
      3.100     1.200     1.200 peak   353 spectrum    1 weight  0.10000E+01 volume  0.54576E-02 ppm1      8.653 ppm2      2.084 CV     1
 OR {  353}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  354}
   (( segid "SAP" and resid 159  and name HG2 ))
   (( segid "SAP" and resid 159  and name HN  ))
      2.700     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.78693E-02 ppm1      8.655 ppm2      1.535 CV     1
 OR {  354}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  355}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 159  and name HN  ))
      2.800     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.20381E-02 ppm1      8.654 ppm2      1.185 CV     1
 ASSI {  356}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 159  and name HN  ))
      4.000     2.000     2.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      8.652 ppm2      0.946 CV     1
 ASSI {  357}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 159  and name HN  ))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.31307E-02 ppm1      8.653 ppm2      0.649 CV     1
 OR {  357}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  358}
   (( segid "SAP" and resid 159  and name HN  ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.51235E-02 ppm1      7.837 ppm2      8.657 CV     1
 ASSI {  359}
   (( segid "SAP" and resid 161  and name HN  ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.800     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.49310E-02 ppm1      7.836 ppm2      8.487 CV     1
 ASSI {  360}
   (( segid "SAP" and resid 162  and name HN  ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.700     1.700     1.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      7.832 ppm2      8.189 CV     1
 OR {  360}
   (( segid "SAP" and resid 163  and name HN  ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {  361}
   (( segid "SAP" and resid 156  and name HA  ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13248E-02 ppm1      7.837 ppm2      4.438 CV     1
 OR {  361}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {  362}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.400     1.400     1.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.23551E-02 ppm1      7.839 ppm2      4.158 CV     1
 ASSI {  363}
   (( segid "SAP" and resid 161  and name HA  ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.800     1.800     1.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.26042E-02 ppm1      7.834 ppm2      3.873 CV     1
 ASSI {  364}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 160  and name HN  ))
      3.800     1.800     1.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.86619E-03 ppm1      7.835 ppm2      3.182 CV     1
 OR {  364}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {  365}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.600     0.800     0.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.12681E-01 ppm1      7.837 ppm2      1.890 CV     1
 OR {  365}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 160  and name HN  ))
 OR {  365}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 160  and name HN  ))
 ASSI {  366}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 160  and name HN  ))
      4.100     2.100     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.12002E-02 ppm1      7.835 ppm2      1.433 CV     1
 ASSI {  367}
   (( segid "SAP" and resid 162  and name HN  ))
   (( segid "SAP" and resid 161  and name HN  ))
      2.900     1.100     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.32609E-02 ppm1      8.489 ppm2      8.202 CV     1
 ASSI {  369}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 209  and name HN  ))
      3.300     1.300     1.300 peak   369 spectrum    1 weight  0.10000E+01 volume  0.32496E-02 ppm1      8.335 ppm2      1.811 CV     1
 ASSI {  370}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 161  and name HN  ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.31024E-02 ppm1      8.488 ppm2      2.243 CV     1
 ASSI {  371}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 161  and name HN  ))
      3.800     1.800     1.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.34817E-02 ppm1      8.488 ppm2      2.103 CV     1
 ASSI {  372}
   (( segid "SAP" and resid 160  and name HG1 ))
   (( segid "SAP" and resid 161  and name HN  ))
      3.700     1.700     1.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.25420E-02 ppm1      8.483 ppm2      1.904 CV     1
 OR {  372}
   (( segid "SAP" and resid 159  and name HB2 ))
   (( segid "SAP" and resid 161  and name HN  ))
 OR {  372}
   (( segid "SAP" and resid 159  and name HB1 ))
   (( segid "SAP" and resid 161  and name HN  ))
 ASSI {  373}
   (( segid "SAP" and resid 162  and name HG1 ))
   (( segid "SAP" and resid 161  and name HN  ))
      3.900     1.900     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.12059E-02 ppm1      8.487 ppm2      1.737 CV     1
 ASSI {  374}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 161  and name HN  ))
      4.000     2.000     2.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      8.488 ppm2      1.569 CV     1
 ASSI {  375}
   (  segid "SAP" and resid 157  and name HG2%)
   (( segid "SAP" and resid 161  and name HN  ))
      3.800     1.800     1.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.485 ppm2      1.450 CV     1
 ASSI {  376}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 161  and name HN  ))
      3.600     1.600     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.19645E-02 ppm1      8.485 ppm2      0.757 CV     1
 ASSI {  377}
   (( segid "SAP" and resid 208  and name HB2 ))
   (( segid "SAP" and resid 208  and name HN  ))
      2.700     0.900     0.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.92280E-02 ppm1      8.149 ppm2      1.742 CV     1
 ASSI {  378}
   (( segid "SAP" and resid 208  and name HG1 ))
   (( segid "SAP" and resid 208  and name HN  ))
      2.800     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.75862E-02 ppm1      8.147 ppm2      1.390 CV     1
 OR {  378}
   (( segid "SAP" and resid 208  and name HG2 ))
   (( segid "SAP" and resid 208  and name HN  ))
 ASSI {  379}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 161  and name HN  ))
      4.600     2.700     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.66238E-03 ppm1      8.488 ppm2      0.640 CV     1
 OR {  379}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 161  and name HN  ))
 ASSI {  381}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 162  and name HN  ))
      3.500     1.500     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.13700E-02 ppm1      8.211 ppm2      6.721 CV     1
 ASSI {  382}
   (( segid "SAP" and resid 161  and name HA  ))
   (( segid "SAP" and resid 162  and name HN  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.99074E-02 ppm1      8.207 ppm2      3.859 CV     1
 OR {  382}
   (( segid "SAP" and resid 161  and name HA  ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {  383}
   (( segid "SAP" and resid 161  and name HB1 ))
   (( segid "SAP" and resid 162  and name HN  ))
      2.800     1.000     1.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.51405E-02 ppm1      8.205 ppm2      2.636 CV     1
 OR {  383}
   (( segid "SAP" and resid 161  and name HB2 ))
   (( segid "SAP" and resid 162  and name HN  ))
 ASSI {  384}
   (( segid "SAP" and resid 162  and name HG2 ))
   (( segid "SAP" and resid 162  and name HN  ))
      3.400     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.36176E-02 ppm1      8.206 ppm2      1.456 CV     1
 ASSI {  385}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 162  and name HN  ))
      3.400     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.44951E-02 ppm1      8.211 ppm2      0.900 CV     1
 ASSI {  386}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 162  and name HN  ))
      3.200     1.300     1.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.48518E-02 ppm1      8.208 ppm2      0.768 CV     1
 OR {  386}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 162  and name HN  ))
 OR {  386}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 162  and name HN  ))
 ASSI {  387}
   (( segid "SAP" and resid 164  and name HN  ))
   (( segid "SAP" and resid 163  and name HN  ))
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.56331E-02 ppm1      8.189 ppm2      8.826 CV     1
 ASSI {  388}
   (( segid "SAP" and resid 163  and name HG1 ))
   (( segid "SAP" and resid 163  and name HN  ))
      2.800     2.800     3.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.13248E-01 ppm1      8.189 ppm2      1.819 CV     1
 ASSI {  390}
   (( segid "SAP" and resid 165  and name HN  ))
   (( segid "SAP" and resid 164  and name HN  ))
      2.900     1.000     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.38894E-02 ppm1      8.825 ppm2      7.791 CV     1
 ASSI {  391}
   (( segid "SAP" and resid 165  and name HA  ))
   (( segid "SAP" and resid 164  and name HN  ))
      4.700     2.800     1.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.73598E-03 ppm1      8.825 ppm2      4.307 CV     1
 ASSI {  392}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 164  and name HN  ))
      3.400     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      8.825 ppm2      4.159 CV     1
 ASSI {  393}
   (( segid "SAP" and resid 164  and name HA  ))
   (( segid "SAP" and resid 164  and name HN  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.84354E-02 ppm1      8.826 ppm2      3.934 CV     1
 ASSI {  395}
   (( segid "SAP" and resid 163  and name HG2 ))
   (( segid "SAP" and resid 164  and name HN  ))
      3.800     1.800     1.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      8.828 ppm2      1.585 CV     1
 OR {  395}
   (( segid "SAP" and resid 160  and name HG2 ))
   (( segid "SAP" and resid 164  and name HN  ))
 ASSI {  397}
   (( segid "SAP" and resid 207  and name HB2 ))
   (( segid "SAP" and resid 208  and name HN  ))
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.62275E-02 ppm1      8.151 ppm2      2.648 CV     1
 ASSI {  398}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 144  and name HN  ))
      3.300     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.42913E-02 ppm1      8.315 ppm2      0.894 CV     1
 OR {  398}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 141  and name HN  ))
 OR {  398}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 141  and name HN  ))
 ASSI {  400}
   (( segid "SAP" and resid 166  and name HN  ))
   (( segid "SAP" and resid 165  and name HN  ))
      2.500     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.88317E-02 ppm1      7.790 ppm2      7.547 CV     1
 ASSI {  401}
   (  segid "SAP" and resid 165  and name HD% )
   (( segid "SAP" and resid 165  and name HN  ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.37025E-02 ppm1      7.787 ppm2      6.946 CV     1
 ASSI {  402}
   (( segid "SAP" and resid 164  and name HA  ))
   (( segid "SAP" and resid 165  and name HN  ))
      3.000     1.100     1.100 peak   402 spectrum    1 weight  0.10000E+01 volume  0.42290E-02 ppm1      7.787 ppm2      3.946 CV     1
 OR {  402}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 165  and name HN  ))
 ASSI {  403}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 165  and name HN  ))
      3.900     1.900     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.24910E-02 ppm1      7.787 ppm2      3.820 CV     1
 ASSI {  404}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 165  and name HN  ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.90016E-02 ppm1      7.787 ppm2      2.066 CV     1
 ASSI {  405}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 165  and name HN  ))
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.22532E-02 ppm1      7.788 ppm2      1.906 CV     1
 OR {  405}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 165  and name HN  ))
 ASSI {  406}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 165  and name HN  ))
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.19362E-02 ppm1      7.793 ppm2      1.606 CV     1
 OR {  406}
   (( segid "SAP" and resid 153  and name HG  ))
   (( segid "SAP" and resid 152  and name HE21))
 OR {  406}
   (( segid "SAP" and resid 166  and name HD2 ))
   (( segid "SAP" and resid 165  and name HN  ))
 ASSI {  407}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 152  and name HE21))
      3.400     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      7.787 ppm2      0.889 CV     1
 OR {  407}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 165  and name HN  ))
 ASSI {  408}
   (  segid "SAP" and resid 153  and name HD2%)
   (( segid "SAP" and resid 152  and name HE21))
      3.400     1.400     1.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.14550E-02 ppm1      7.788 ppm2      0.779 CV     1
 ASSI {  409}
   (( segid "SAP" and resid 164  and name HN  ))
   (( segid "SAP" and resid 166  and name HN  ))
      4.100     2.100     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.74730E-03 ppm1      7.553 ppm2      8.818 CV     1
 ASSI {  410}
   (( segid "SAP" and resid 167  and name HN  ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.000     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.65106E-02 ppm1      7.554 ppm2      8.273 CV     1
 ASSI {  412}
   (( segid "SAP" and resid 165  and name HA  ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.300     1.400     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.21966E-02 ppm1      7.550 ppm2      4.320 CV     1
 ASSI {  413}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.400     1.400     1.400 peak   413 spectrum    1 weight  0.10000E+01 volume  0.17947E-02 ppm1      7.552 ppm2      4.154 CV     1
 ASSI {  414}
   (( segid "SAP" and resid 165  and name HB1 ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.800     1.800     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.17437E-02 ppm1      7.554 ppm2      2.917 CV     1
 OR {  414}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 166  and name HN  ))
 OR {  414}
   (( segid "SAP" and resid 166  and name HE1 ))
   (( segid "SAP" and resid 166  and name HN  ))
 ASSI {  415}
   (( segid "SAP" and resid 166  and name HD2 ))
   (( segid "SAP" and resid 166  and name HN  ))
      3.300     1.400     1.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.38044E-02 ppm1      7.556 ppm2      1.611 CV     1
 OR {  415}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 166  and name HN  ))
 ASSI {  416}
   (( segid "SAP" and resid 165  and name HN  ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.900     1.900     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      8.275 ppm2      7.789 CV     1
 ASSI {  418}
   (( segid "SAP" and resid 166  and name HA  ))
   (( segid "SAP" and resid 167  and name HN  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.88883E-02 ppm1      8.275 ppm2      3.841 CV     1
 ASSI {  419}
   (( segid "SAP" and resid 168  and name HD1 ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.700     1.700     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.23042E-02 ppm1      8.279 ppm2      4.022 CV     1
 ASSI {  420}
   (( segid "SAP" and resid 165  and name HB1 ))
   (( segid "SAP" and resid 167  and name HN  ))
      4.100     2.100     1.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.93979E-03 ppm1      8.281 ppm2      2.915 CV     1
 OR {  420}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 167  and name HN  ))
 OR {  420}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 167  and name HN  ))
 ASSI {  421}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.300     1.400     1.400 peak   421 spectrum    1 weight  0.10000E+01 volume  0.22249E-02 ppm1      8.278 ppm2      2.105 CV     1
 OR {  421}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 167  and name HN  ))
 OR {  421}
   (( segid "SAP" and resid 165  and name HB2 ))
   (( segid "SAP" and resid 167  and name HN  ))
 ASSI {  422}
   (( segid "SAP" and resid 163  and name HB2 ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.700     1.700     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      8.276 ppm2      1.956 CV     1
 OR {  422}
   (( segid "SAP" and resid 163  and name HB1 ))
   (( segid "SAP" and resid 167  and name HN  ))
 ASSI {  423}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 167  and name HN  ))
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.15569E-01 ppm1      8.275 ppm2      1.607 CV     1
 OR {  423}
   (( segid "SAP" and resid 167  and name HB1 ))
   (( segid "SAP" and resid 167  and name HN  ))
 ASSI {  424}
   (( segid "SAP" and resid 166  and name HB2 ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.500     1.500     1.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.46310E-02 ppm1      8.275 ppm2      1.761 CV     1
 ASSI {  425}
   (( segid "SAP" and resid 167  and name HB2 ))
   (( segid "SAP" and resid 167  and name HN  ))
      2.600     0.800     0.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.55368E-02 ppm1      8.279 ppm2      1.389 CV     1
 ASSI {  426}
   (( segid "SAP" and resid 168  and name HA  ))
   (( segid "SAP" and resid 169  and name HN  ))
      2.200     0.600     0.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.20438E-01 ppm1      8.088 ppm2      4.494 CV     1
 ASSI {  427}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 169  and name HN  ))
      4.500     2.500     1.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.91148E-03 ppm1      8.090 ppm2      2.914 CV     1
 OR {  427}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 169  and name HN  ))
 ASSI {  428}
   (( segid "SAP" and resid 167  and name HB1 ))
   (( segid "SAP" and resid 169  and name HN  ))
      3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      8.086 ppm2      1.611 CV     1
 OR {  428}
   (( segid "SAP" and resid 162  and name HD2 ))
   (( segid "SAP" and resid 169  and name HN  ))
 OR {  428}
   (( segid "SAP" and resid 167  and name HG  ))
   (( segid "SAP" and resid 169  and name HN  ))
 OR {  428}
   (( segid "SAP" and resid 170  and name HG2 ))
   (( segid "SAP" and resid 169  and name HN  ))
 ASSI {  429}
   (( segid "SAP" and resid 172  and name HN  ))
   (( segid "SAP" and resid 173  and name HN  ))
      3.700     1.700     1.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.84920E-03 ppm1      7.509 ppm2      8.629 CV     1
 ASSI {  430}
   (( segid "SAP" and resid 174  and name HN  ))
   (( segid "SAP" and resid 173  and name HN  ))
      4.000     2.000     2.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.14040E-02 ppm1      7.510 ppm2      8.447 CV     1
 ASSI {  431}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 173  and name HN  ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.65106E-02 ppm1      7.515 ppm2      4.309 CV     1
 ASSI {  432}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 173  and name HN  ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.79825E-02 ppm1      7.513 ppm2      1.463 CV     1
 ASSI {  433}
   (( segid "SAP" and resid 173  and name HG  ))
   (( segid "SAP" and resid 173  and name HN  ))
      2.100     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.27967E-01 ppm1      7.512 ppm2      1.796 CV     1
 ASSI {  434}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 173  and name HN  ))
      3.300     1.400     1.400 peak   434 spectrum    1 weight  0.10000E+01 volume  0.67936E-02 ppm1      7.510 ppm2      0.852 CV     1
 ASSI {  435}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 173  and name HN  ))
      3.200     1.300     1.300 peak   435 spectrum    1 weight  0.10000E+01 volume  0.60577E-02 ppm1      7.511 ppm2      0.717 CV     1
 ASSI {  436}
   (( segid "SAP" and resid 176  and name HA  ))
   (( segid "SAP" and resid 176  and name HN  ))
      2.700     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.72465E-02 ppm1      8.207 ppm2      4.050 CV     1
 ASSI {  437}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 176  and name HN  ))
      3.400     1.500     1.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      8.207 ppm2      3.754 CV     1
 ASSI {  438}
   (( segid "SAP" and resid 175  and name HB1 ))
   (( segid "SAP" and resid 176  and name HN  ))
      2.300     0.700     0.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.14493E-01 ppm1      8.208 ppm2      1.842 CV     1
 OR {  438}
   (( segid "SAP" and resid 175  and name HB2 ))
   (( segid "SAP" and resid 176  and name HN  ))
 ASSI {  439}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 176  and name HN  ))
      2.200     0.600     0.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.24457E-01 ppm1      8.209 ppm2      1.513 CV     1
 ASSI {  440}
   (( segid "SAP" and resid 179  and name HN  ))
   (( segid "SAP" and resid 177  and name HN  ))
      3.800     1.800     1.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.10587E-02 ppm1      8.286 ppm2      8.738 CV     1
 ASSI {  441}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 177  and name HN  ))
      5.300     3.500     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.79259E-03 ppm1      8.284 ppm2      4.322 CV     1
 ASSI {  442}
   (( segid "SAP" and resid 177  and name HA  ))
   (( segid "SAP" and resid 177  and name HN  ))
      2.600     0.800     0.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.86053E-02 ppm1      8.287 ppm2      4.049 CV     1
 OR {  442}
   (( segid "SAP" and resid 176  and name HA  ))
   (( segid "SAP" and resid 177  and name HN  ))
 ASSI {  443}
   (( segid "SAP" and resid 173  and name HB1 ))
   (( segid "SAP" and resid 177  and name HN  ))
      4.100     2.100     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.18003E-02 ppm1      8.285 ppm2      1.765 CV     1
 OR {  443}
   (( segid "SAP" and resid 178  and name HB1 ))
   (( segid "SAP" and resid 177  and name HN  ))
 ASSI {  444}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 177  and name HN  ))
      4.600     2.700     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.12172E-02 ppm1      8.287 ppm2      0.715 CV     1
 ASSI {  445}
   (( segid "SAP" and resid 179  and name HN  ))
   (( segid "SAP" and resid 178  and name HN  ))
      2.600     0.900     0.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.53953E-02 ppm1      8.363 ppm2      8.736 CV     1
 ASSI {  446}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 178  and name HN  ))
      2.600     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.75296E-02 ppm1      8.364 ppm2      4.050 CV     1
 OR {  446}
   (( segid "SAP" and resid 177  and name HA  ))
   (( segid "SAP" and resid 178  and name HN  ))
 ASSI {  447}
   (( segid "SAP" and resid 175  and name HA  ))
   (( segid "SAP" and resid 178  and name HN  ))
      3.500     1.500     1.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.12795E-02 ppm1      8.363 ppm2      3.747 CV     1
 ASSI {  448}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 178  and name HN  ))
      4.700     2.800     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      8.363 ppm2      2.673 CV     1
 ASSI {  449}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 178  and name HN  ))
      2.500     2.500     3.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.43026E-02 ppm1      8.363 ppm2      1.944 CV     1
 ASSI {  450}
   (( segid "SAP" and resid 178  and name HG  ))
   (( segid "SAP" and resid 178  and name HN  ))
      2.200     0.600     0.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.13191E-01 ppm1      8.364 ppm2      1.536 CV     1
 ASSI {  451}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 178  and name HN  ))
      5.200     3.400     0.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.58312E-03 ppm1      8.363 ppm2      1.192 CV     1
 ASSI {  452}
   (  segid "SAP" and resid 155  and name HG1%)
   (( segid "SAP" and resid 178  and name HN  ))
      4.400     2.400     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      8.363 ppm2      1.049 CV     1
 OR {  452}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 178  and name HN  ))
 ASSI {  453}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 178  and name HN  ))
      4.500     2.500     1.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.12568E-02 ppm1      8.365 ppm2      0.598 CV     1
 ASSI {  455}
   (( segid "SAP" and resid 180  and name HN  ))
   (( segid "SAP" and resid 179  and name HN  ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.47952E-02 ppm1      8.736 ppm2      7.590 CV     1
 ASSI {  456}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 179  and name HN  ))
      4.400     2.400     1.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      8.736 ppm2      2.150 CV     1
 OR {  456}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 179  and name HN  ))
 ASSI {  457}
   (( segid "SAP" and resid 179  and name HB  ))
   (( segid "SAP" and resid 179  and name HN  ))
      2.300     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.12172E-01 ppm1      8.736 ppm2      1.920 CV     1
 ASSI {  458}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 179  and name HN  ))
      3.900     1.900     1.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.25872E-02 ppm1      8.734 ppm2      0.801 CV     1
 OR {  458}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 179  and name HN  ))
 ASSI {  460}
   (( segid "SAP" and resid 178  and name HN  ))
   (( segid "SAP" and resid 180  and name HN  ))
      3.700     1.700     1.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      7.601 ppm2      8.366 CV     1
 ASSI {  463}
   (( segid "SAP" and resid 184  and name HN  ))
   (( segid "SAP" and resid 182  and name HN  ))
      3.800     1.800     1.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.98508E-03 ppm1      8.564 ppm2      7.594 CV     1
 OR {  463}
   (( segid "SAP" and resid 180  and name HN  ))
   (( segid "SAP" and resid 182  and name HN  ))
 ASSI {  464}
   (( segid "SAP" and resid 181  and name HN  ))
   (( segid "SAP" and resid 180  and name HN  ))
      2.600     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.64540E-02 ppm1      7.597 ppm2      7.373 CV     1
 ASSI {  465}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 180  and name HN  ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.14210E-01 ppm1      7.598 ppm2      4.034 CV     1
 ASSI {  466}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 180  and name HN  ))
      2.100     0.600     0.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.20721E-01 ppm1      7.598 ppm2      2.138 CV     1
 OR {  466}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 180  and name HN  ))
 ASSI {  467}
   (( segid "SAP" and resid 180  and name HG2 ))
   (( segid "SAP" and resid 180  and name HN  ))
      3.100     1.200     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.10304E-01 ppm1      7.597 ppm2      2.237 CV     1
 ASSI {  468}
   (( segid "SAP" and resid 179  and name HB  ))
   (( segid "SAP" and resid 180  and name HN  ))
      2.500     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.85487E-02 ppm1      7.598 ppm2      1.917 CV     1
 ASSI {  469}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 180  and name HN  ))
      3.900     1.900     1.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.19135E-02 ppm1      7.597 ppm2      1.749 CV     1
 OR {  469}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 180  and name HN  ))
 ASSI {  470}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 180  and name HN  ))
      3.900     1.900     1.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.15003E-02 ppm1      7.592 ppm2      1.529 CV     1
 OR {  470}
   (( segid "SAP" and resid 178  and name HG  ))
   (( segid "SAP" and resid 180  and name HN  ))
 OR {  470}
   (( segid "SAP" and resid 158  and name HG  ))
   (( segid "SAP" and resid 180  and name HN  ))
 ASSI {  471}
   (( segid "SAP" and resid 181  and name HG12))
   (( segid "SAP" and resid 180  and name HN  ))
      5.900     4.400     0.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.49933E-03 ppm1      7.592 ppm2      1.283 CV     1
 ASSI {  472}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 185  and name HN  ))
      4.300     2.300     1.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.56614E-03 ppm1      7.382 ppm2      8.956 CV     1
 OR {  472}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  473}
   (( segid "SAP" and resid 182  and name HN  ))
   (( segid "SAP" and resid 181  and name HN  ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.43876E-02 ppm1      7.379 ppm2      8.568 CV     1
 ASSI {  475}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 181  and name HN  ))
      3.000     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.39799E-02 ppm1      7.381 ppm2      4.032 CV     1
 OR {  475}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  476}
   (( segid "SAP" and resid 181  and name HA  ))
   (( segid "SAP" and resid 181  and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.46989E-02 ppm1      7.381 ppm2      3.840 CV     1
 ASSI {  477}
   (( segid "SAP" and resid 179  and name HA  ))
   (( segid "SAP" and resid 181  and name HN  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.68502E-03 ppm1      7.378 ppm2      3.163 CV     1
 ASSI {  478}
   (( segid "SAP" and resid 180  and name HG1 ))
   (( segid "SAP" and resid 181  and name HN  ))
      4.500     2.500     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      7.378 ppm2      2.379 CV     1
 ASSI {  479}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 181  and name HN  ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.75862E-02 ppm1      7.378 ppm2      2.135 CV     1
 OR {  479}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  480}
   (( segid "SAP" and resid 180  and name HG2 ))
   (( segid "SAP" and resid 181  and name HN  ))
      3.600     1.600     1.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.31421E-02 ppm1      7.380 ppm2      2.231 CV     1
 OR {  480}
   (( segid "SAP" and resid 177  and name HB1 ))
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  481}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 181  and name HN  ))
      3.600     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.47952E-02 ppm1      7.379 ppm2      0.957 CV     1
 ASSI {  482}
   (  segid "SAP" and resid 181  and name HD1%)
   (( segid "SAP" and resid 181  and name HN  ))
      3.700     1.700     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.44555E-02 ppm1      7.380 ppm2      0.865 CV     1
 ASSI {  483}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 181  and name HN  ))
      3.800     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      7.382 ppm2      0.752 CV     1
 OR {  483}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 181  and name HN  ))
 OR {  483}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  484}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 182  and name HN  ))
      2.900     1.000     1.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.37761E-02 ppm1      8.570 ppm2      8.948 CV     1
 ASSI {  485}
   (( segid "SAP" and resid 181  and name HN  ))
   (( segid "SAP" and resid 182  and name HN  ))
      2.600     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.50896E-02 ppm1      8.565 ppm2      7.381 CV     1
 ASSI {  486}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 182  and name HN  ))
      3.400     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.15795E-02 ppm1      8.563 ppm2      4.029 CV     1
 OR {  486}
   (( segid "SAP" and resid 180  and name HA  ))
   (( segid "SAP" and resid 182  and name HN  ))
 ASSI {  487}
   (( segid "SAP" and resid 179  and name HA  ))
   (( segid "SAP" and resid 182  and name HN  ))
      3.400     1.500     1.500 peak   487 spectrum    1 weight  0.10000E+01 volume  0.21060E-02 ppm1      8.567 ppm2      3.154 CV     1
 ASSI {  488}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 182  and name HN  ))
      3.400     1.400     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.32496E-02 ppm1      8.566 ppm2      0.960 CV     1
 ASSI {  489}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 182  and name HN  ))
      4.300     2.300     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.12059E-02 ppm1      8.569 ppm2      0.450 CV     1
 OR {  489}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 182  and name HN  ))
 ASSI {  491}
   (( segid "SAP" and resid 186  and name HN  ))
   (( segid "SAP" and resid 183  and name HN  ))
      4.800     2.900     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.36403E-03 ppm1      8.953 ppm2      9.444 CV     1
 ASSI {  493}
   (( segid "SAP" and resid 185  and name HN  ))
   (( segid "SAP" and resid 183  and name HN  ))
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      8.951 ppm2      7.391 CV     1
 OR {  493}
   (( segid "SAP" and resid 181  and name HN  ))
   (( segid "SAP" and resid 183  and name HN  ))
 ASSI {  494}
   (( segid "SAP" and resid 183  and name HA1 ))
   (( segid "SAP" and resid 183  and name HN  ))
      2.300     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13134E-01 ppm1      8.948 ppm2      3.949 CV     1
 ASSI {  495}
   (( segid "SAP" and resid 179  and name HA  ))
   (( segid "SAP" and resid 183  and name HN  ))
      3.600     1.600     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14663E-02 ppm1      8.945 ppm2      3.160 CV     1
 ASSI {  496}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 183  and name HN  ))
      4.400     2.500     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.94545E-03 ppm1      8.949 ppm2      2.983 CV     1
 OR {  496}
   (( segid "SAP" and resid 184  and name HB2 ))
   (( segid "SAP" and resid 183  and name HN  ))
 ASSI {  497}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 183  and name HN  ))
      5.200     3.300     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.25816E-03 ppm1      8.947 ppm2      2.156 CV     1
 OR {  497}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 183  and name HN  ))
 ASSI {  498}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 183  and name HN  ))
      3.000     1.200     1.200 peak   498 spectrum    1 weight  0.10000E+01 volume  0.42007E-02 ppm1      8.948 ppm2      0.441 CV     1
 ASSI {  500}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.59444E-02 ppm1      7.624 ppm2      8.946 CV     1
 ASSI {  501}
   (( segid "SAP" and resid 182  and name HN  ))
   (( segid "SAP" and resid 184  and name HN  ))
      3.900     1.900     1.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.86619E-03 ppm1      7.626 ppm2      8.565 CV     1
 ASSI {  502}
   (( segid "SAP" and resid 185  and name HN  ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.96809E-02 ppm1      7.626 ppm2      7.405 CV     1
 ASSI {  503}
   (( segid "SAP" and resid 183  and name HA1 ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.75296E-02 ppm1      7.626 ppm2      3.890 CV     1
 ASSI {  504}
   (( segid "SAP" and resid 184  and name HB2 ))
   (( segid "SAP" and resid 184  and name HN  ))
      2.500     0.800     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.95111E-02 ppm1      7.624 ppm2      2.968 CV     1
 ASSI {  505}
   (( segid "SAP" and resid 181  and name HB  ))
   (( segid "SAP" and resid 184  and name HN  ))
      4.700     2.800     1.300 peak   505 spectrum    1 weight  0.10000E+01 volume  0.46593E-03 ppm1      7.615 ppm2      1.942 CV     1
 ASSI {  506}
   (( segid "SAP" and resid 182  and name HB  ))
   (( segid "SAP" and resid 184  and name HN  ))
      3.800     1.800     1.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18286E-02 ppm1      7.627 ppm2      1.716 CV     1
 OR {  506}
   (( segid "SAP" and resid 181  and name HG11))
   (( segid "SAP" and resid 184  and name HN  ))
 ASSI {  507}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 184  and name HN  ))
      4.500     2.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.96243E-03 ppm1      7.624 ppm2      0.449 CV     1
 ASSI {  508}
   (  segid "SAP" and resid 182  and name HG2%)
   (( segid "SAP" and resid 184  and name HN  ))
      5.300     3.500     0.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.37875E-03 ppm1      7.630 ppm2     -0.209 CV     1
 ASSI {  509}
   (( segid "SAP" and resid 186  and name HN  ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.600     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.54745E-02 ppm1      7.416 ppm2      9.447 CV     1
 ASSI {  510}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 185  and name HN  ))
      4.500     2.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.53896E-03 ppm1      7.421 ppm2      8.957 CV     1
 ASSI {  511}
   (( segid "SAP" and resid 184  and name HN  ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.600     0.800     0.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      7.419 ppm2      7.634 CV     1
 OR {  511}
   (( segid "SAP" and resid 180  and name HN  ))
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  513}
   (( segid "SAP" and resid 185  and name HA  ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.800     1.000     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.65106E-02 ppm1      7.414 ppm2      4.044 CV     1
 OR {  513}
   (( segid "SAP" and resid 178  and name HA  ))
   (( segid "SAP" and resid 181  and name HN  ))
 OR {  513}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 185  and name HN  ))
 ASSI {  515}
   (( segid "SAP" and resid 185  and name HB2 ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.90016E-02 ppm1      7.419 ppm2      3.201 CV     1
 ASSI {  516}
   (( segid "SAP" and resid 185  and name HB1 ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.400     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12002E-01 ppm1      7.418 ppm2      3.355 CV     1
 ASSI {  517}
   (( segid "SAP" and resid 184  and name HB2 ))
   (( segid "SAP" and resid 185  and name HN  ))
      3.400     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.54292E-02 ppm1      7.418 ppm2      2.971 CV     1
 OR {  517}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 185  and name HN  ))
 ASSI {  518}
   (( segid "SAP" and resid 184  and name HB1 ))
   (( segid "SAP" and resid 185  and name HN  ))
      2.500     0.800     0.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.69069E-02 ppm1      7.418 ppm2      3.085 CV     1
 ASSI {  519}
   (  segid "SAP" and resid 181  and name HD1%)
   (( segid "SAP" and resid 181  and name HN  ))
      4.100     2.100     1.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.21343E-02 ppm1      7.419 ppm2      0.883 CV     1
 ASSI {  520}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 185  and name HN  ))
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.20381E-02 ppm1      7.418 ppm2      0.764 CV     1
 OR {  520}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 181  and name HN  ))
 OR {  520}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 185  and name HN  ))
 ASSI {  522}
   (( segid "SAP" and resid 184  and name HN  ))
   (( segid "SAP" and resid 186  and name HN  ))
      3.900     1.900     1.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      9.445 ppm2      7.638 CV     1
 OR {  522}
   (( segid "SAP" and resid 188  and name HN  ))
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  523}
   (( segid "SAP" and resid 185  and name HN  ))
   (( segid "SAP" and resid 186  and name HN  ))
      2.500     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.75296E-02 ppm1      9.448 ppm2      7.432 CV     1
 OR {  523}
   (( segid "SAP" and resid 187  and name HN  ))
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  524}
   (  segid "SAP" and resid 186  and name HD% )
   (( segid "SAP" and resid 186  and name HN  ))
      4.700     2.800     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.65106E-03 ppm1      9.448 ppm2      7.224 CV     1
 OR {  524}
   (  segid "SAP" and resid 161  and name HE% )
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  525}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 186  and name HN  ))
      4.800     2.900     1.200 peak   525 spectrum    1 weight  0.10000E+01 volume  0.51349E-03 ppm1      9.453 ppm2      7.108 CV     1
 ASSI {  526}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 186  and name HN  ))
      5.400     3.600     0.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18060E-03 ppm1      9.448 ppm2      8.953 CV     1
 ASSI {  527}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 186  and name HN  ))
      2.900     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.46819E-02 ppm1      9.448 ppm2      4.057 CV     1
 OR {  527}
   (( segid "SAP" and resid 185  and name HA  ))
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  528}
   (( segid "SAP" and resid 186  and name HB1 ))
   (( segid "SAP" and resid 186  and name HN  ))
      2.500     0.800     0.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.95677E-02 ppm1      9.448 ppm2      3.351 CV     1
 OR {  528}
   (( segid "SAP" and resid 185  and name HB1 ))
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  529}
   (( segid "SAP" and resid 185  and name HB2 ))
   (( segid "SAP" and resid 186  and name HN  ))
      3.600     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.37705E-02 ppm1      9.447 ppm2      3.192 CV     1
 ASSI {  530}
   (( segid "SAP" and resid 183  and name HA2 ))
   (( segid "SAP" and resid 186  and name HN  ))
      3.500     1.500     1.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      9.445 ppm2      3.578 CV     1
 ASSI {  531}
   (( segid "SAP" and resid 183  and name HA1 ))
   (( segid "SAP" and resid 186  and name HN  ))
      4.400     2.500     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      9.448 ppm2      3.888 CV     1
 OR {  531}
   (( segid "SAP" and resid 187  and name HA  ))
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  532}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 186  and name HN  ))
      3.400     1.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.88317E-03 ppm1      9.443 ppm2      0.685 CV     1
 OR {  532}
   (  segid "SAP" and resid 148  and name HG2%)
   (( segid "SAP" and resid 186  and name HN  ))
 ASSI {  533}
   (  segid "SAP" and resid 182  and name HG2%)
   (( segid "SAP" and resid 186  and name HN  ))
      5.200     3.400     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.33515E-03 ppm1      9.447 ppm2     -0.195 CV     1
 ASSI {  534}
   (( segid "SAP" and resid 186  and name HN  ))
   (( segid "SAP" and resid 187  and name HN  ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.31704E-02 ppm1      7.469 ppm2      9.451 CV     1
 ASSI {  536}
   (( segid "SAP" and resid 188  and name HN  ))
   (( segid "SAP" and resid 187  and name HN  ))
      2.600     0.900     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.67936E-02 ppm1      7.474 ppm2      7.701 CV     1
 ASSI {  537}
   (( segid "SAP" and resid 141  and name HA  ))
   (( segid "SAP" and resid 141  and name HE21))
      4.300     2.300     1.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.47895E-03 ppm1      7.475 ppm2      4.359 CV     1
 ASSI {  538}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 187  and name HN  ))
      3.100     1.200     1.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.36969E-02 ppm1      7.472 ppm2      4.084 CV     1
 ASSI {  539}
   (( segid "SAP" and resid 183  and name HA2 ))
   (( segid "SAP" and resid 187  and name HN  ))
      4.000     2.000     2.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      7.468 ppm2      3.581 CV     1
 ASSI {  540}
   (( segid "SAP" and resid 186  and name HB2 ))
   (( segid "SAP" and resid 187  and name HN  ))
      3.300     1.400     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.54745E-02 ppm1      7.468 ppm2      3.007 CV     1
 ASSI {  541}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 207  and name HN  ))
      3.300     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.24004E-02 ppm1      7.846 ppm2      2.430 CV     1
 ASSI {  542}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 187  and name HN  ))
      2.400     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.15172E-01 ppm1      7.469 ppm2      1.898 CV     1
 OR {  542}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 187  and name HN  ))
 ASSI {  543}
   (( segid "SAP" and resid 187  and name HG1 ))
   (( segid "SAP" and resid 187  and name HN  ))
      2.400     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.11832E-01 ppm1      7.470 ppm2      1.680 CV     1
 OR {  543}
   (( segid "SAP" and resid 187  and name HG2 ))
   (( segid "SAP" and resid 187  and name HN  ))
 ASSI {  544}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 187  and name HN  ))
      4.500     2.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.79259E-03 ppm1      7.466 ppm2      0.433 CV     1
 ASSI {  545}
   (( segid "SAP" and resid 186  and name HN  ))
   (( segid "SAP" and resid 188  and name HN  ))
      4.700     2.800     1.300 peak   545 spectrum    1 weight  0.10000E+01 volume  0.30968E-03 ppm1      7.670 ppm2      9.444 CV     1
 ASSI {  547}
   (( segid "SAP" and resid 189  and name HN  ))
   (( segid "SAP" and resid 188  and name HN  ))
      2.300     0.700     0.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      7.672 ppm2      7.129 CV     1
 ASSI {  548}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 188  and name HN  ))
      3.000     1.100     1.100 peak   548 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.673 ppm2      4.035 CV     1
 OR {  548}
   (( segid "SAP" and resid 185  and name HA  ))
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  549}
   (( segid "SAP" and resid 187  and name HA  ))
   (( segid "SAP" and resid 188  and name HN  ))
      2.600     0.800     0.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.81524E-02 ppm1      7.672 ppm2      3.869 CV     1
 OR {  549}
   (( segid "SAP" and resid 188  and name HB1 ))
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  550}
   (( segid "SAP" and resid 188  and name HB2 ))
   (( segid "SAP" and resid 188  and name HN  ))
      2.900     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.65106E-02 ppm1      7.672 ppm2      3.729 CV     1
 OR {  550}
   (( segid "SAP" and resid 189  and name HA  ))
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  551}
   (( segid "SAP" and resid 187  and name HB1 ))
   (( segid "SAP" and resid 188  and name HN  ))
      3.300     1.300     1.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.36516E-02 ppm1      7.674 ppm2      1.882 CV     1
 OR {  551}
   (( segid "SAP" and resid 187  and name HB2 ))
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  552}
   (( segid "SAP" and resid 189  and name HG11))
   (( segid "SAP" and resid 188  and name HN  ))
      3.300     1.400     1.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      7.668 ppm2      1.510 CV     1
 ASSI {  553}
   (( segid "SAP" and resid 189  and name HB  ))
   (( segid "SAP" and resid 188  and name HN  ))
      4.100     2.100     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17720E-02 ppm1      7.675 ppm2      1.214 CV     1
 ASSI {  554}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 188  and name HN  ))
      4.100     2.100     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.20834E-02 ppm1      7.674 ppm2      0.696 CV     1
 OR {  554}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 188  and name HN  ))
 ASSI {  556}
   (( segid "SAP" and resid 161  and name HN  ))
   (( segid "SAP" and resid 162  and name HN  ))
      2.700     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.57180E-02 ppm1      8.210 ppm2      8.499 CV     1
 ASSI {  557}
   (( segid "SAP" and resid 187  and name HA  ))
   (( segid "SAP" and resid 189  and name HN  ))
      3.700     1.700     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.19418E-02 ppm1      7.132 ppm2      3.872 CV     1
 OR {  557}
   (( segid "SAP" and resid 188  and name HB1 ))
   (( segid "SAP" and resid 189  and name HN  ))
 ASSI {  558}
   (( segid "SAP" and resid 207  and name HB1 ))
   (( segid "SAP" and resid 207  and name HN  ))
      2.500     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.17607E-01 ppm1      7.847 ppm2      2.675 CV     1
 OR {  558}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 207  and name HN  ))
 ASSI {  559}
   (  segid "SAP" and resid 189  and name HD1%)
   (( segid "SAP" and resid 189  and name HN  ))
      3.200     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.84920E-02 ppm1      7.132 ppm2      0.698 CV     1
 OR {  559}
   (  segid "SAP" and resid 189  and name HG2%)
   (( segid "SAP" and resid 189  and name HN  ))
 ASSI {  560}
   (( segid "SAP" and resid 191  and name HA  ))
   (( segid "SAP" and resid 191  and name HN  ))
      2.700     0.900     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.67370E-02 ppm1      8.399 ppm2      3.979 CV     1
 ASSI {  561}
   (( segid "SAP" and resid 190  and name HB1 ))
   (( segid "SAP" and resid 191  and name HN  ))
      3.200     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.74164E-02 ppm1      8.398 ppm2      2.112 CV     1
 ASSI {  562}
   (( segid "SAP" and resid 191  and name HB  ))
   (( segid "SAP" and resid 191  and name HN  ))
      2.500     0.800     0.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.15456E-01 ppm1      8.397 ppm2      1.794 CV     1
 OR {  562}
   (( segid "SAP" and resid 190  and name HB2 ))
   (( segid "SAP" and resid 191  and name HN  ))
 ASSI {  563}
   (  segid "SAP" and resid 191  and name HG1%)
   (( segid "SAP" and resid 191  and name HN  ))
      2.400     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.12908E-01 ppm1      8.396 ppm2      0.707 CV     1
 ASSI {  564}
   (( segid "SAP" and resid 191  and name HA  ))
   (( segid "SAP" and resid 192  and name HN  ))
      2.400     0.700     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.11606E-01 ppm1      8.510 ppm2      3.977 CV     1
 ASSI {  565}
   (  segid "SAP" and resid 191  and name HG2%)
   (( segid "SAP" and resid 192  and name HN  ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.35610E-02 ppm1      8.509 ppm2      0.697 CV     1
 ASSI {  566}
   (( segid "SAP" and resid 195  and name HN  ))
   (( segid "SAP" and resid 194  and name HN  ))
      2.600     0.900     0.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.81524E-02 ppm1      8.435 ppm2      8.126 CV     1
 ASSI {  567}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 194  and name HN  ))
      2.700     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.73032E-02 ppm1      8.435 ppm2      3.946 CV     1
 ASSI {  568}
   (( segid "SAP" and resid 192  and name HB2 ))
   (( segid "SAP" and resid 194  and name HN  ))
      4.300     2.300     1.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.95677E-03 ppm1      8.439 ppm2      2.655 CV     1
 OR {  568}
   (( segid "SAP" and resid 195  and name HB1 ))
   (( segid "SAP" and resid 194  and name HN  ))
 ASSI {  569}
   (( segid "SAP" and resid 195  and name HB2 ))
   (( segid "SAP" and resid 194  and name HN  ))
      4.500     2.500     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.99640E-03 ppm1      8.435 ppm2      2.494 CV     1
 ASSI {  570}
   (( segid "SAP" and resid 193  and name HG1 ))
   (( segid "SAP" and resid 194  and name HN  ))
      3.600     1.600     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.34591E-02 ppm1      8.434 ppm2      2.212 CV     1
 ASSI {  571}
   (( segid "SAP" and resid 193  and name HB1 ))
   (( segid "SAP" and resid 194  and name HN  ))
      2.600     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.92280E-02 ppm1      8.435 ppm2      2.056 CV     1
 OR {  571}
   (( segid "SAP" and resid 193  and name HB2 ))
   (( segid "SAP" and resid 194  and name HN  ))
 ASSI {  572}
   (( segid "SAP" and resid 194  and name HG1 ))
   (( segid "SAP" and resid 194  and name HN  ))
      3.500     1.500     1.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.40592E-02 ppm1      8.433 ppm2      1.453 CV     1
 ASSI {  573}
   (( segid "SAP" and resid 194  and name HN  ))
   (( segid "SAP" and resid 195  and name HN  ))
      2.700     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.68502E-02 ppm1      8.123 ppm2      8.434 CV     1
 OR {  573}
   (( segid "SAP" and resid 132  and name HN  ))
   (( segid "SAP" and resid 133  and name HN  ))
 ASSI {  574}
   (( segid "SAP" and resid 195  and name HA  ))
   (( segid "SAP" and resid 195  and name HN  ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.58312E-02 ppm1      8.124 ppm2      4.369 CV     1
 ASSI {  575}
   (( segid "SAP" and resid 194  and name HA  ))
   (( segid "SAP" and resid 195  and name HN  ))
      3.300     1.400     1.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.27458E-02 ppm1      8.126 ppm2      3.946 CV     1
 ASSI {  576}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 195  and name HN  ))
      3.200     1.300     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      8.124 ppm2      2.886 CV     1
 ASSI {  577}
   (( segid "SAP" and resid 195  and name HB1 ))
   (( segid "SAP" and resid 195  and name HN  ))
      2.700     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.86619E-02 ppm1      8.126 ppm2      2.666 CV     1
 ASSI {  578}
   (( segid "SAP" and resid 195  and name HB2 ))
   (( segid "SAP" and resid 195  and name HN  ))
      2.300     0.700     0.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.13304E-01 ppm1      8.124 ppm2      2.501 CV     1
 ASSI {  579}
   (( segid "SAP" and resid 194  and name HB1 ))
   (( segid "SAP" and resid 195  and name HN  ))
      2.400     0.700     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      8.124 ppm2      1.865 CV     1
 OR {  579}
   (( segid "SAP" and resid 194  and name HB2 ))
   (( segid "SAP" and resid 195  and name HN  ))
 ASSI {  580}
   (( segid "SAP" and resid 194  and name HG1 ))
   (( segid "SAP" and resid 195  and name HN  ))
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.29382E-02 ppm1      8.122 ppm2      1.450 CV     1
 ASSI {  582}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 195  and name HN  ))
      4.200     2.200     1.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.62275E-03 ppm1      8.126 ppm2      3.539 CV     1
 ASSI {  583}
   (( segid "SAP" and resid 197  and name HN  ))
   (( segid "SAP" and resid 196  and name HN  ))
      2.600     0.900     0.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      8.201 ppm2      8.479 CV     1
 OR {  583}
   (( segid "SAP" and resid 194  and name HN  ))
   (( segid "SAP" and resid 196  and name HN  ))
 ASSI {  585}
   (( segid "SAP" and resid 195  and name HB1 ))
   (( segid "SAP" and resid 196  and name HN  ))
      2.900     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.43592E-02 ppm1      8.203 ppm2      2.661 CV     1
 OR {  585}
   (( segid "SAP" and resid 137  and name HB1 ))
   (( segid "SAP" and resid 138  and name HN  ))
 ASSI {  586}
   (( segid "SAP" and resid 195  and name HB2 ))
   (( segid "SAP" and resid 196  and name HN  ))
      3.400     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.30685E-02 ppm1      8.202 ppm2      2.517 CV     1
 ASSI {  587}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 196  and name HN  ))
      3.500     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.35214E-02 ppm1      8.205 ppm2      1.044 CV     1
 ASSI {  588}
   (( segid "SAP" and resid 207  and name HA  ))
   (( segid "SAP" and resid 207  and name HN  ))
      2.500     0.800     0.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.10700E-01 ppm1      7.846 ppm2      4.454 CV     1
 ASSI {  589}
   (( segid "SAP" and resid 208  and name HN  ))
   (( segid "SAP" and resid 207  and name HN  ))
      3.000     1.100     1.100 peak   589 spectrum    1 weight  0.10000E+01 volume  0.50216E-02 ppm1      7.845 ppm2      8.144 CV     1
 ASSI {  590}
   (( segid "SAP" and resid 197  and name HD2%))
   (( segid "SAP" and resid 196  and name HN  ))
      4.500     4.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.39346E-03 ppm1      8.199 ppm2     -0.039 CV     1
 ASSI {  591}
   (( segid "SAP" and resid 196  and name HN  ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.800     1.000     1.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.41668E-02 ppm1      8.478 ppm2      8.212 CV     1
 ASSI {  592}
   (( segid "SAP" and resid 198  and name HN  ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.700     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.49367E-02 ppm1      8.480 ppm2      8.029 CV     1
 ASSI {  594}
   (( segid "SAP" and resid 196  and name HB  ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.500     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.61709E-02 ppm1      8.481 ppm2      4.044 CV     1
 ASSI {  595}
   (( segid "SAP" and resid 196  and name HA  ))
   (( segid "SAP" and resid 197  and name HN  ))
      2.900     1.100     1.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.51688E-02 ppm1      8.481 ppm2      3.784 CV     1
 ASSI {  596}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 197  and name HN  ))
      4.100     2.100     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.69069E-03 ppm1      8.479 ppm2      3.526 CV     1
 ASSI {  597}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 197  and name HN  ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.39290E-02 ppm1      8.479 ppm2      1.015 CV     1
 ASSI {  599}
   (( segid "SAP" and resid 198  and name HB  ))
   (( segid "SAP" and resid 198  and name HN  ))
      2.400     0.700     0.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10530E-01 ppm1      8.047 ppm2      4.289 CV     1
 ASSI {  600}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 198  and name HN  ))
      2.600     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.83788E-02 ppm1      8.045 ppm2      3.872 CV     1
 ASSI {  601}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 198  and name HN  ))
      3.700     1.700     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.87751E-03 ppm1      8.047 ppm2      1.025 CV     1
 OR {  601}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 198  and name HN  ))
 ASSI {  602}
   (( segid "SAP" and resid 200  and name HN  ))
   (( segid "SAP" and resid 199  and name HN  ))
      2.800     1.000     1.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.49141E-02 ppm1      8.010 ppm2      8.479 CV     1
 ASSI {  603}
   (( segid "SAP" and resid 198  and name HB  ))
   (( segid "SAP" and resid 199  and name HN  ))
      2.300     0.700     0.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.13814E-01 ppm1      8.012 ppm2      4.272 CV     1
 ASSI {  604}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 199  and name HN  ))
      3.300     1.400     1.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.26382E-02 ppm1      8.010 ppm2      3.862 CV     1
 ASSI {  605}
   (( segid "SAP" and resid 199  and name HB1 ))
   (( segid "SAP" and resid 199  and name HN  ))
      2.900     1.000     1.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.10247E-01 ppm1      8.010 ppm2      3.163 CV     1
 ASSI {  606}
   (( segid "SAP" and resid 199  and name HB2 ))
   (( segid "SAP" and resid 199  and name HN  ))
      2.600     0.800     0.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.68502E-02 ppm1      8.010 ppm2      2.919 CV     1
 ASSI {  607}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 199  and name HN  ))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.70201E-03 ppm1      8.006 ppm2      1.050 CV     1
 OR {  607}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 199  and name HN  ))
 ASSI {  608}
   (( segid "SAP" and resid 201  and name HN  ))
   (( segid "SAP" and resid 200  and name HN  ))
      2.800     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.45064E-02 ppm1      8.476 ppm2      8.620 CV     1
 ASSI {  610}
   (  segid "SAP" and resid 200  and name HD% )
   (( segid "SAP" and resid 200  and name HN  ))
      4.700     2.700     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      8.477 ppm2      7.648 CV     1
 ASSI {  612}
   (( segid "SAP" and resid 199  and name HA  ))
   (( segid "SAP" and resid 200  and name HN  ))
      3.800     1.800     1.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.12851E-02 ppm1      8.473 ppm2      4.224 CV     1
 ASSI {  613}
   (( segid "SAP" and resid 197  and name HA  ))
   (( segid "SAP" and resid 200  and name HN  ))
      3.100     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.36176E-02 ppm1      8.473 ppm2      3.832 CV     1
 OR {  613}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 200  and name HN  ))
 ASSI {  614}
   (( segid "SAP" and resid 199  and name HB1 ))
   (( segid "SAP" and resid 200  and name HN  ))
      3.300     1.300     1.300 peak   614 spectrum    1 weight  0.10000E+01 volume  0.38441E-02 ppm1      8.475 ppm2      3.153 CV     1
 ASSI {  615}
   (( segid "SAP" and resid 200  and name HB2 ))
   (( segid "SAP" and resid 200  and name HN  ))
      2.800     1.000     1.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.42573E-02 ppm1      8.475 ppm2      3.298 CV     1
 ASSI {  616}
   (( segid "SAP" and resid 199  and name HB2 ))
   (( segid "SAP" and resid 200  and name HN  ))
      3.100     1.200     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.21966E-02 ppm1      8.475 ppm2      2.926 CV     1
 ASSI {  617}
   (( segid "SAP" and resid 201  and name HG11))
   (( segid "SAP" and resid 200  and name HN  ))
      4.900     3.000     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.54462E-03 ppm1      8.475 ppm2      2.193 CV     1
 ASSI {  618}
   (  segid "SAP" and resid 196  and name HG2%)
   (( segid "SAP" and resid 200  and name HN  ))
      3.500     1.500     1.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      8.473 ppm2      1.023 CV     1
 OR {  618}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 200  and name HN  ))
 ASSI {  619}
   (( segid "SAP" and resid 200  and name HN  ))
   (( segid "SAP" and resid 201  and name HN  ))
      2.800     1.000     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.46706E-02 ppm1      8.621 ppm2      8.453 CV     1
 ASSI {  621}
   (( segid "SAP" and resid 200  and name HA  ))
   (( segid "SAP" and resid 201  and name HN  ))
      4.100     2.100     1.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.69069E-03 ppm1      8.622 ppm2      4.989 CV     1
 ASSI {  622}
   (( segid "SAP" and resid 197  and name HA  ))
   (( segid "SAP" and resid 201  and name HN  ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.23042E-02 ppm1      8.624 ppm2      3.834 CV     1
 OR {  622}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 201  and name HN  ))
 ASSI {  623}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 201  and name HN  ))
      2.500     0.800     0.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.49763E-02 ppm1      8.624 ppm2      3.621 CV     1
 OR {  623}
   (( segid "SAP" and resid 201  and name HA  ))
   (( segid "SAP" and resid 201  and name HN  ))
 ASSI {  624}
   (( segid "SAP" and resid 201  and name HB  ))
   (( segid "SAP" and resid 201  and name HN  ))
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.83222E-02 ppm1      8.624 ppm2      2.020 CV     1
 ASSI {  625}
   (( segid "SAP" and resid 201  and name HG12))
   (( segid "SAP" and resid 201  and name HN  ))
      3.700     1.800     1.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.38214E-02 ppm1      8.625 ppm2      1.325 CV     1
 ASSI {  626}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HN  ))
      3.300     1.400     1.400 peak   626 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      8.624 ppm2      1.026 CV     1
 OR {  626}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HN  ))
 ASSI {  627}
   (( segid "SAP" and resid 201  and name HN  ))
   (( segid "SAP" and resid 202  and name HN  ))
      2.700     0.900     0.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.49084E-02 ppm1      7.996 ppm2      8.633 CV     1
 ASSI {  628}
   (( segid "SAP" and resid 203  and name HN  ))
   (( segid "SAP" and resid 202  and name HN  ))
      2.600     0.900     0.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.65672E-02 ppm1      7.997 ppm2      8.477 CV     1
 ASSI {  629}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 202  and name HN  ))
      3.900     1.900     1.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.12115E-02 ppm1      8.003 ppm2      7.171 CV     1
 ASSI {  630}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 202  and name HN  ))
      2.500     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.99074E-02 ppm1      7.998 ppm2      4.191 CV     1
 ASSI {  631}
   (( segid "SAP" and resid 203  and name HB2 ))
   (( segid "SAP" and resid 202  and name HN  ))
      4.300     2.300     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      7.998 ppm2      4.001 CV     1
 ASSI {  632}
   (( segid "SAP" and resid 198  and name HA  ))
   (( segid "SAP" and resid 202  and name HN  ))
      3.700     1.700     1.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.12512E-02 ppm1      7.997 ppm2      3.863 CV     1
 ASSI {  633}
   (( segid "SAP" and resid 201  and name HA  ))
   (( segid "SAP" and resid 202  and name HN  ))
      3.600     1.600     1.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      8.000 ppm2      3.617 CV     1
 OR {  633}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 202  and name HN  ))
 ASSI {  634}
   (( segid "SAP" and resid 202  and name HB2 ))
   (( segid "SAP" and resid 202  and name HN  ))
      2.200     0.600     0.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.20041E-01 ppm1      7.998 ppm2      3.163 CV     1
 OR {  634}
   (( segid "SAP" and resid 202  and name HB1 ))
   (( segid "SAP" and resid 202  and name HN  ))
 ASSI {  635}
   (( segid "SAP" and resid 201  and name HB  ))
   (( segid "SAP" and resid 202  and name HN  ))
      2.700     0.900     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.48518E-02 ppm1      7.998 ppm2      2.021 CV     1
 ASSI {  636}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 202  and name HN  ))
      3.100     1.200     1.200 peak   636 spectrum    1 weight  0.10000E+01 volume  0.43989E-02 ppm1      7.998 ppm2      1.023 CV     1
 ASSI {  638}
   (( segid "SAP" and resid 204  and name HN  ))
   (( segid "SAP" and resid 203  and name HN  ))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.57746E-02 ppm1      8.485 ppm2      7.819 CV     1
 ASSI {  639}
   (  segid "SAP" and resid 202  and name HD% )
   (( segid "SAP" and resid 203  and name HN  ))
      4.100     2.100     1.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.93979E-03 ppm1      8.484 ppm2      7.182 CV     1
 ASSI {  640}
   (( segid "SAP" and resid 200  and name HA  ))
   (( segid "SAP" and resid 203  and name HN  ))
      3.500     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      8.486 ppm2      4.992 CV     1
 ASSI {  641}
   (( segid "SAP" and resid 203  and name HB1 ))
   (( segid "SAP" and resid 203  and name HN  ))
      2.700     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.82656E-02 ppm1      8.488 ppm2      4.279 CV     1
 ASSI {  642}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 203  and name HN  ))
      2.500     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.10926E-01 ppm1      8.486 ppm2      4.155 CV     1
 OR {  642}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 203  and name HN  ))
 ASSI {  643}
   (( segid "SAP" and resid 202  and name HB1 ))
   (( segid "SAP" and resid 203  and name HN  ))
      2.700     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.79825E-02 ppm1      8.486 ppm2      3.159 CV     1
 OR {  643}
   (( segid "SAP" and resid 202  and name HB2 ))
   (( segid "SAP" and resid 203  and name HN  ))
 ASSI {  644}
   (  segid "SAP" and resid 204  and name HG1%)
   (( segid "SAP" and resid 203  and name HN  ))
      4.900     2.900     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.94545E-03 ppm1      8.490 ppm2      0.316 CV     1
 ASSI {  645}
   (( segid "SAP" and resid 204  and name HG2%))
   (( segid "SAP" and resid 203  and name HN  ))
      5.400     5.400     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.30062E-03 ppm1      8.489 ppm2     -0.026 CV     1
 ASSI {  647}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 204  and name HN  ))
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.34591E-02 ppm1      7.831 ppm2      4.136 CV     1
 OR {  647}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 204  and name HN  ))
 ASSI {  648}
   (( segid "SAP" and resid 204  and name HA  ))
   (( segid "SAP" and resid 204  and name HN  ))
      2.700     0.900     0.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.65106E-02 ppm1      7.829 ppm2      3.593 CV     1
 ASSI {  649}
   (( segid "SAP" and resid 204  and name HB  ))
   (( segid "SAP" and resid 204  and name HN  ))
      2.400     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      7.830 ppm2      1.560 CV     1
 ASSI {  650}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 204  and name HN  ))
      4.600     2.600     1.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.57180E-03 ppm1      7.828 ppm2      1.040 CV     1
 OR {  650}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 204  and name HN  ))
 ASSI {  651}
   (( segid "SAP" and resid 206  and name HN  ))
   (( segid "SAP" and resid 205  and name HN  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      7.966 ppm2      7.771 CV     1
 ASSI {  652}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 205  and name HN  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.25193E-02 ppm1      7.959 ppm2      4.154 CV     1
 OR {  652}
   (( segid "SAP" and resid 203  and name HA  ))
   (( segid "SAP" and resid 205  and name HN  ))
 ASSI {  653}
   (( segid "SAP" and resid 204  and name HA  ))
   (( segid "SAP" and resid 205  and name HN  ))
      3.200     1.300     1.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.27061E-02 ppm1      7.963 ppm2      3.578 CV     1
 ASSI {  654}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 205  and name HN  ))
      2.200     0.600     0.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.20494E-01 ppm1      7.967 ppm2      1.815 CV     1
 OR {  654}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 205  and name HN  ))
 ASSI {  655}
   (( segid "SAP" and resid 204  and name HB  ))
   (( segid "SAP" and resid 205  and name HN  ))
      2.400     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.10360E-01 ppm1      7.966 ppm2      1.563 CV     1
 ASSI {  656}
   (  segid "SAP" and resid 204  and name HG1%)
   (( segid "SAP" and resid 205  and name HN  ))
      3.600     1.700     1.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.22362E-02 ppm1      7.965 ppm2      0.310 CV     1
 ASSI {  657}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 205  and name HN  ))
      3.800     3.800     2.200 peak   657 spectrum    1 weight  0.10000E+01 volume  0.25306E-02 ppm1      7.964 ppm2     -0.021 CV     1
 ASSI {  659}
   (( segid "SAP" and resid 202  and name HA  ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.400     1.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.18682E-02 ppm1      7.774 ppm2      4.171 CV     1
 ASSI {  660}
   (( segid "SAP" and resid 204  and name HA  ))
   (( segid "SAP" and resid 206  and name HN  ))
      4.300     2.300     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.49254E-03 ppm1      7.770 ppm2      3.554 CV     1
 ASSI {  662}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 206  and name HN  ))
      2.400     0.700     0.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.95677E-02 ppm1      7.774 ppm2      2.429 CV     1
 ASSI {  663}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 206  and name HN  ))
      2.800     1.000     1.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.70201E-02 ppm1      7.775 ppm2      1.812 CV     1
 OR {  663}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 206  and name HN  ))
 ASSI {  664}
   (( segid "SAP" and resid 205  and name HG2 ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13927E-02 ppm1      7.774 ppm2      1.601 CV     1
 ASSI {  665}
   (( segid "SAP" and resid 134  and name HB1 ))
   (( segid "SAP" and resid 134  and name HN  ))
      3.300     1.400     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.30458E-02 ppm1      8.209 ppm2      2.681 CV     1
 ASSI {  666}
   (( segid "SAP" and resid 134  and name HB2 ))
   (( segid "SAP" and resid 134  and name HN  ))
      4.400     2.400     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.43423E-03 ppm1      8.209 ppm2      2.568 CV     1
 ASSI {  667}
   (( segid "SAP" and resid 134  and name HB1 ))
   (( segid "SAP" and resid 135  and name HN  ))
      4.500     2.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.37478E-03 ppm1      8.369 ppm2      2.667 CV     1
 ASSI {  668}
   (( segid "SAP" and resid 135  and name HA2 ))
   (( segid "SAP" and resid 135  and name HN  ))
      2.900     1.000     1.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.57746E-02 ppm1      8.362 ppm2      3.940 CV     1
 OR {  668}
   (( segid "SAP" and resid 135  and name HA1 ))
   (( segid "SAP" and resid 135  and name HN  ))
 ASSI {  669}
   (( segid "SAP" and resid 136  and name HA1 ))
   (( segid "SAP" and resid 136  and name HN  ))
      2.800     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.67936E-02 ppm1      8.248 ppm2      3.941 CV     1
 OR {  669}
   (( segid "SAP" and resid 136  and name HA2 ))
   (( segid "SAP" and resid 136  and name HN  ))
 OR {  669}
   (( segid "SAP" and resid 135  and name HA2 ))
   (( segid "SAP" and resid 136  and name HN  ))
 OR {  669}
   (( segid "SAP" and resid 135  and name HA1 ))
   (( segid "SAP" and resid 136  and name HN  ))
 ASSI {  670}
   (( segid "SAP" and resid 137  and name HB1 ))
   (( segid "SAP" and resid 137  and name HN  ))
      3.300     1.300     1.300 peak   670 spectrum    1 weight  0.10000E+01 volume  0.33402E-02 ppm1      8.227 ppm2      2.641 CV     1
 ASSI {  673}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 141  and name HE21))
      4.200     2.200     1.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.42347E-03 ppm1      7.474 ppm2      2.329 CV     1
 OR {  673}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 141  and name HE21))
 ASSI {  674}
   (( segid "SAP" and resid 141  and name HG1 ))
   (( segid "SAP" and resid 141  and name HE22))
      5.900     4.300     0.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.20551E-03 ppm1      6.793 ppm2      2.316 CV     1
 OR {  674}
   (( segid "SAP" and resid 141  and name HG2 ))
   (( segid "SAP" and resid 141  and name HE22))
 ASSI {  675}
   (( segid "SAP" and resid 142  and name HB1 ))
   (( segid "SAP" and resid 142  and name HN  ))
      3.200     1.300     1.300 peak   675 spectrum    1 weight  0.10000E+01 volume  0.34591E-02 ppm1      8.349 ppm2      2.689 CV     1
 ASSI {  676}
   (( segid "SAP" and resid 142  and name HB2 ))
   (( segid "SAP" and resid 142  and name HN  ))
      2.900     1.000     1.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.51065E-02 ppm1      8.347 ppm2      2.532 CV     1
 ASSI {  677}
   (( segid "SAP" and resid 142  and name HB1 ))
   (( segid "SAP" and resid 143  and name HN  ))
      3.300     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      8.022 ppm2      2.685 CV     1
 ASSI {  678}
   (( segid "SAP" and resid 142  and name HB2 ))
   (( segid "SAP" and resid 143  and name HN  ))
      3.500     1.600     1.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      8.022 ppm2      2.541 CV     1
 ASSI {  679}
   (( segid "SAP" and resid 144  and name HB1 ))
   (( segid "SAP" and resid 144  and name HN  ))
      2.700     0.900     0.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.64540E-02 ppm1      8.319 ppm2      2.659 CV     1
 ASSI {  680}
   (( segid "SAP" and resid 144  and name HB2 ))
   (( segid "SAP" and resid 144  and name HN  ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.10870E-01 ppm1      8.320 ppm2      2.541 CV     1
 ASSI {  681}
   (( segid "SAP" and resid 144  and name HB1 ))
   (( segid "SAP" and resid 145  and name HN  ))
      2.700     0.900     0.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.58312E-02 ppm1      8.081 ppm2      2.601 CV     1
 ASSI {  686}
   (( segid "SAP" and resid 150  and name HB1 ))
   (( segid "SAP" and resid 150  and name HN  ))
      3.400     1.500     1.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.45234E-02 ppm1      8.373 ppm2      1.479 CV     1
 ASSI {  687}
   (( segid "SAP" and resid 150  and name HB2 ))
   (( segid "SAP" and resid 150  and name HN  ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.36063E-02 ppm1      8.372 ppm2      1.081 CV     1
 ASSI {  690}
   (( segid "SAP" and resid 151  and name HB1 ))
   (( segid "SAP" and resid 152  and name HN  ))
      3.100     1.200     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      7.101 ppm2      3.196 CV     1
 ASSI {  691}
   (( segid "SAP" and resid 151  and name HB2 ))
   (( segid "SAP" and resid 152  and name HN  ))
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.22645E-02 ppm1      7.099 ppm2      3.029 CV     1
 ASSI {  692}
   (( segid "SAP" and resid 152  and name HB1 ))
   (( segid "SAP" and resid 152  and name HN  ))
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.62275E-02 ppm1      7.101 ppm2      2.106 CV     1
 ASSI {  693}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 152  and name HN  ))
      2.900     1.000     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.70767E-02 ppm1      7.102 ppm2      1.939 CV     1
 ASSI {  694}
   (( segid "SAP" and resid 153  and name HA  ))
   (( segid "SAP" and resid 153  and name HN  ))
      2.900     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.37591E-02 ppm1      7.176 ppm2      4.442 CV     1
 ASSI {  695}
   (( segid "SAP" and resid 153  and name HB2 ))
   (( segid "SAP" and resid 153  and name HN  ))
      2.700     0.900     0.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.54123E-02 ppm1      7.177 ppm2      1.192 CV     1
 ASSI {  696}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 157  and name HN  ))
      2.800     1.000     1.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.47725E-02 ppm1      7.457 ppm2      4.154 CV     1
 ASSI {  697}
   (( segid "SAP" and resid 157  and name HB  ))
   (( segid "SAP" and resid 158  and name HN  ))
      2.900     1.100     1.100 peak   697 spectrum    1 weight  0.10000E+01 volume  0.32326E-02 ppm1      7.720 ppm2      4.418 CV     1
 ASSI {  698}
   (( segid "SAP" and resid 158  and name HA  ))
   (( segid "SAP" and resid 158  and name HN  ))
      2.900     1.100     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.34987E-02 ppm1      7.718 ppm2      3.921 CV     1
 ASSI {  699}
   (( segid "SAP" and resid 158  and name HB2 ))
   (( segid "SAP" and resid 158  and name HN  ))
      2.700     0.900     0.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.32270E-02 ppm1      7.717 ppm2      1.190 CV     1
 ASSI {  700}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 159  and name HN  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      8.653 ppm2      0.795 CV     1
 OR {  700}
   (  segid "SAP" and resid 178  and name HD2%)
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  701}
   (( segid "SAP" and resid 159  and name HD1 ))
   (( segid "SAP" and resid 159  and name HN  ))
      3.500     1.500     1.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.21626E-02 ppm1      8.652 ppm2      3.182 CV     1
 OR {  701}
   (( segid "SAP" and resid 159  and name HD2 ))
   (( segid "SAP" and resid 159  and name HN  ))
 ASSI {  702}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.600     0.800     0.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.84920E-02 ppm1      7.837 ppm2      3.999 CV     1
 ASSI {  703}
   (( segid "SAP" and resid 160  and name HB1 ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.400     0.700     0.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12738E-01 ppm1      7.836 ppm2      2.223 CV     1
 ASSI {  704}
   (( segid "SAP" and resid 160  and name HB2 ))
   (( segid "SAP" and resid 160  and name HN  ))
      2.300     0.700     0.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.12512E-01 ppm1      7.836 ppm2      2.113 CV     1
 ASSI {  705}
   (  segid "SAP" and resid 161  and name HD% )
   (( segid "SAP" and resid 161  and name HN  ))
      4.400     2.400     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      8.492 ppm2      6.717 CV     1
 ASSI {  708}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 162  and name HN  ))
      2.400     0.700     0.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13531E-01 ppm1      8.200 ppm2      3.961 CV     1
 OR {  708}
   (( segid "SAP" and resid 159  and name HA  ))
   (( segid "SAP" and resid 162  and name HN  ))
 OR {  708}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 163  and name HN  ))
 OR {  708}
   (( segid "SAP" and resid 160  and name HA  ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {  709}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 162  and name HN  ))
      2.400     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.12115E-01 ppm1      8.204 ppm2      2.111 CV     1
 OR {  709}
   (( segid "SAP" and resid 162  and name HB2 ))
   (( segid "SAP" and resid 163  and name HN  ))
 OR {  709}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 162  and name HN  ))
 ASSI {  710}
   (( segid "SAP" and resid 163  and name HD1 ))
   (( segid "SAP" and resid 163  and name HN  ))
      4.000     2.000     2.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.14889E-02 ppm1      8.184 ppm2      3.215 CV     1
 ASSI {  713}
   (( segid "SAP" and resid 165  and name HA  ))
   (( segid "SAP" and resid 165  and name HN  ))
      2.900     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.49594E-02 ppm1      7.787 ppm2      4.322 CV     1
 ASSI {  714}
   (( segid "SAP" and resid 168  and name HB1 ))
   (( segid "SAP" and resid 169  and name HN  ))
      3.500     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.47442E-02 ppm1      8.088 ppm2      2.178 CV     1
 ASSI {  715}
   (( segid "SAP" and resid 168  and name HB2 ))
   (( segid "SAP" and resid 169  and name HN  ))
      3.500     1.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      8.085 ppm2      1.928 CV     1
 ASSI {  716}
   (( segid "SAP" and resid 172  and name HA1 ))
   (( segid "SAP" and resid 173  and name HN  ))
      3.600     1.600     1.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.29949E-02 ppm1      7.510 ppm2      3.927 CV     1
 ASSI {  717}
   (( segid "SAP" and resid 172  and name HA2 ))
   (( segid "SAP" and resid 173  and name HN  ))
      3.000     1.200     1.200 peak   717 spectrum    1 weight  0.10000E+01 volume  0.30515E-02 ppm1      7.509 ppm2      3.760 CV     1
 ASSI {  718}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 174  and name HN  ))
      2.000     0.500     0.500 peak   718 spectrum    1 weight  0.10000E+01 volume  0.19079E-01 ppm1      8.442 ppm2      4.309 CV     1
 ASSI {  719}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 174  and name HN  ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.23891E-02 ppm1      8.441 ppm2      0.855 CV     1
 ASSI {  720}
   (  segid "SAP" and resid 173  and name HD2%)
   (( segid "SAP" and resid 174  and name HN  ))
      2.900     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.96809E-02 ppm1      8.448 ppm2      0.721 CV     1
 ASSI {  721}
   (( segid "SAP" and resid 174  and name HB1 ))
   (( segid "SAP" and resid 174  and name HN  ))
      3.300     1.300     1.300 peak   721 spectrum    1 weight  0.10000E+01 volume  0.21966E-02 ppm1      8.443 ppm2      3.278 CV     1
 ASSI {  722}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 174  and name HN  ))
      2.900     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.31137E-02 ppm1      8.442 ppm2      2.918 CV     1
 ASSI {  723}
   (  segid "SAP" and resid 176  and name HB% )
   (( segid "SAP" and resid 177  and name HN  ))
      2.600     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.97942E-02 ppm1      8.287 ppm2      1.512 CV     1
 ASSI {  724}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 177  and name HN  ))
      2.400     2.400     3.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.60577E-02 ppm1      8.286 ppm2      1.966 CV     1
 ASSI {  725}
   (( segid "SAP" and resid 177  and name HB1 ))
   (( segid "SAP" and resid 178  and name HN  ))
      3.400     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.33232E-02 ppm1      8.362 ppm2      2.278 CV     1
 ASSI {  726}
   (( segid "SAP" and resid 179  and name HA  ))
   (( segid "SAP" and resid 179  and name HN  ))
      2.900     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.34874E-02 ppm1      8.736 ppm2      3.160 CV     1
 ASSI {  727}
   (  segid "SAP" and resid 179  and name HG1%)
   (( segid "SAP" and resid 179  and name HN  ))
      3.100     1.200     1.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.10926E-01 ppm1      8.736 ppm2      0.591 CV     1
 ASSI {  728}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 179  and name HN  ))
      2.700     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.42970E-02 ppm1      8.736 ppm2      0.462 CV     1
 ASSI {  729}
   (  segid "SAP" and resid 182  and name HG2%)
   (( segid "SAP" and resid 182  and name HN  ))
      2.900     1.000     1.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.31194E-02 ppm1      8.564 ppm2     -0.198 CV     1
 ASSI {  730}
   (  segid "SAP" and resid 182  and name HG1%)
   (( segid "SAP" and resid 183  and name HN  ))
      3.500     1.500     1.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.23268E-02 ppm1      8.944 ppm2      0.767 CV     1
 ASSI {  731}
   (  segid "SAP" and resid 182  and name HG2%)
   (( segid "SAP" and resid 183  and name HN  ))
      4.000     2.000     2.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.22929E-02 ppm1      8.950 ppm2     -0.196 CV     1
 ASSI {  732}
   (( segid "SAP" and resid 183  and name HA2 ))
   (( segid "SAP" and resid 183  and name HN  ))
      2.900     1.000     1.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.63407E-02 ppm1      8.949 ppm2      3.587 CV     1
 ASSI {  733}
   (( segid "SAP" and resid 183  and name HA2 ))
   (( segid "SAP" and resid 184  and name HN  ))
      3.300     1.300     1.300 peak   733 spectrum    1 weight  0.10000E+01 volume  0.35497E-02 ppm1      7.624 ppm2      3.591 CV     1
 ASSI {  734}
   (( segid "SAP" and resid 186  and name HA  ))
   (( segid "SAP" and resid 189  and name HN  ))
      3.600     1.600     1.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.24117E-02 ppm1      7.131 ppm2      4.056 CV     1
 OR {  734}
   (( segid "SAP" and resid 190  and name HD1 ))
   (( segid "SAP" and resid 189  and name HN  ))
 ASSI {  736}
   (( segid "SAP" and resid 194  and name HB2 ))
   (( segid "SAP" and resid 194  and name HN  ))
      2.100     0.600     0.600 peak   736 spectrum    1 weight  0.10000E+01 volume  0.25136E-01 ppm1      8.437 ppm2      1.878 CV     1
 OR {  736}
   (( segid "SAP" and resid 194  and name HB1 ))
   (( segid "SAP" and resid 194  and name HN  ))
 ASSI {  737}
   (( segid "SAP" and resid 194  and name HD1 ))
   (( segid "SAP" and resid 194  and name HN  ))
      3.700     1.800     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.28307E-02 ppm1      8.435 ppm2      1.673 CV     1
 OR {  737}
   (( segid "SAP" and resid 194  and name HD2 ))
   (( segid "SAP" and resid 194  and name HN  ))
 ASSI {  738}
   (( segid "SAP" and resid 194  and name HE1 ))
   (( segid "SAP" and resid 194  and name HN  ))
      6.000     4.700     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.21173E-03 ppm1      8.434 ppm2      2.984 CV     1
 OR {  738}
   (( segid "SAP" and resid 194  and name HE2 ))
   (( segid "SAP" and resid 194  and name HN  ))
 ASSI {  741}
   (( segid "SAP" and resid 200  and name HA  ))
   (( segid "SAP" and resid 200  and name HN  ))
      3.100     1.200     1.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.28930E-02 ppm1      8.474 ppm2      4.973 CV     1
 ASSI {  742}
   (( segid "SAP" and resid 201  and name HG11))
   (( segid "SAP" and resid 202  and name HN  ))
      4.700     2.800     1.300 peak   742 spectrum    1 weight  0.10000E+01 volume  0.69635E-03 ppm1      7.998 ppm2      2.204 CV     1
 ASSI {  743}
   (  segid "SAP" and resid 204  and name HG1%)
   (( segid "SAP" and resid 204  and name HN  ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.97375E-02 ppm1      7.825 ppm2      0.319 CV     1
 ASSI {  744}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 204  and name HN  ))
      2.800     2.800     3.200 peak   744 spectrum    1 weight  0.10000E+01 volume  0.40535E-02 ppm1      7.828 ppm2     -0.023 CV     1
 ASSI {  746}
   (( segid "SAP" and resid 206  and name HN  ))
   (( segid "SAP" and resid 206  and name HD22))
      4.700     2.700     1.300 peak   746 spectrum    1 weight  0.10000E+01 volume  0.83788E-03 ppm1      6.698 ppm2      7.789 CV     1
 ASSI {  747}
   (( segid "SAP" and resid 206  and name HB1 ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.300     1.400     1.400 peak   747 spectrum    1 weight  0.10000E+01 volume  0.66238E-02 ppm1      7.773 ppm2      2.668 CV     1
 ASSI {  748}
   (( segid "SAP" and resid 206  and name HD21))
   (( segid "SAP" and resid 206  and name HN  ))
      3.500     1.600     1.600 peak   748 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      7.772 ppm2      7.231 CV     1
 ASSI {  750}
   (( segid "SAP" and resid 209  and name HB2 ))
   (( segid "SAP" and resid 209  and name HN  ))
      3.100     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.39120E-02 ppm1      8.336 ppm2      2.681 CV     1
 ASSI {  751}
   (( segid "SAP" and resid 210  and name HG2 ))
   (( segid "SAP" and resid 210  and name HN  ))
      3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.17494E-02 ppm1      8.058 ppm2      1.390 CV     1
 OR {  751}
   (( segid "SAP" and resid 210  and name HG1 ))
   (( segid "SAP" and resid 210  and name HN  ))
 ASSI {  752}
   (( segid "SAP" and resid 211  and name HB2 ))
   (( segid "SAP" and resid 211  and name HN  ))
      3.600     1.600     1.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      8.217 ppm2      3.840 CV     1
 OR {  752}
   (( segid "SAP" and resid 211  and name HB1 ))
   (( segid "SAP" and resid 211  and name HN  ))
 ASSI {  753}
   (( segid "SAP" and resid 212  and name HB1 ))
   (( segid "SAP" and resid 212  and name HN  ))
      3.700     1.700     1.700 peak   753 spectrum    1 weight  0.10000E+01 volume  0.15059E-02 ppm1      8.289 ppm2      2.698 CV     1
 ASSI {  754}
   (( segid "SAP" and resid 212  and name HB2 ))
   (( segid "SAP" and resid 212  and name HN  ))
      3.400     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.20494E-02 ppm1      8.290 ppm2      2.587 CV     1
 ASSI {  755}
   (  segid "SAP" and resid 215  and name HB% )
   (( segid "SAP" and resid 215  and name HN  ))
      3.400     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.25250E-02 ppm1      8.167 ppm2      1.362 CV     1
 ASSI {  756}
   (( segid "SAP" and resid 216  and name HB2 ))
   (( segid "SAP" and resid 216  and name HN  ))
      3.600     1.600     1.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.17267E-02 ppm1      8.229 ppm2      2.671 CV     1
 OR {  756}
   (( segid "SAP" and resid 216  and name HB1 ))
   (( segid "SAP" and resid 216  and name HN  ))
 ASSI {  757}
   (( segid "SAP" and resid 218  and name HA2 ))
   (( segid "SAP" and resid 218  and name HN  ))
      3.800     1.800     1.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.10926E-02 ppm1      8.417 ppm2      3.942 CV     1
 OR {  757}
   (( segid "SAP" and resid 218  and name HA1 ))
   (( segid "SAP" and resid 218  and name HN  ))
 ASSI {  758}
   (( segid "SAP" and resid 220  and name HB2 ))
   (( segid "SAP" and resid 220  and name HN  ))
      4.000     2.100     2.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.62841E-03 ppm1      7.959 ppm2      3.027 CV     1
 ASSI {  759}
   (( segid "SAP" and resid 164  and name HA  ))
   (( segid "SAP" and resid 166  and name HN  ))
      2.600     2.600     3.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.95111E-02 ppm1      7.554 ppm2      3.953 CV     1
 OR {  759}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 166  and name HN  ))
 ASSI {  762}
   (( segid "SAP" and resid 163  and name HD2 ))
   (( segid "SAP" and resid 163  and name HN  ))
      4.000     2.000     2.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      8.201 ppm2      2.916 CV     1
 OR {  762}
   (( segid "SAP" and resid 164  and name HB1 ))
   (( segid "SAP" and resid 163  and name HN  ))
 OR {  762}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 162  and name HN  ))
 OR {  762}
   (( segid "SAP" and resid 162  and name HE1 ))
   (( segid "SAP" and resid 162  and name HN  ))
 OR {  762}
   (( segid "SAP" and resid 162  and name HE2 ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {  763}
   (( segid "SAP" and resid 157  and name HA  ))
   (( segid "SAP" and resid 161  and name HN  ))
      4.000     2.000     2.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      8.487 ppm2      4.147 CV     1
 ASSI {  764}
   (( segid "SAP" and resid 163  and name HA  ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.700     1.800     1.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11436E-02 ppm1      8.282 ppm2      4.165 CV     1
 ASSI {  765}
   (( segid "SAP" and resid 196  and name HA  ))
   (( segid "SAP" and resid 199  and name HN  ))
      3.500     1.500     1.500 peak   765 spectrum    1 weight  0.10000E+01 volume  0.15852E-02 ppm1      8.011 ppm2      3.739 CV     1
 ASSI {  766}
   (( segid "SAP" and resid 201  and name HN  ))
   (( segid "SAP" and resid 199  and name HN  ))
      3.800     1.800     1.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.10530E-02 ppm1      8.007 ppm2      8.615 CV     1
 ASSI {  767}
   (( segid "SAP" and resid 147  and name HA  ))
   (( segid "SAP" and resid 147  and name HN  ))
      2.900     1.000     1.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.39913E-02 ppm1      7.752 ppm2      4.535 CV     1
 ASSI {  768}
   (( segid "SAP" and resid 171  and name HB1 ))
   (( segid "SAP" and resid 173  and name HN  ))
      4.400     2.500     1.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.96809E-03 ppm1      7.509 ppm2      2.299 CV     1
 ASSI {  769}
   (( segid "SAP" and resid 175  and name HG1 ))
   (( segid "SAP" and resid 176  and name HN  ))
      3.600     1.600     1.600 peak   769 spectrum    1 weight  0.10000E+01 volume  0.14720E-02 ppm1      8.207 ppm2      1.182 CV     1
 ASSI {  770}
   (( segid "SAP" and resid 175  and name HG2 ))
   (( segid "SAP" and resid 176  and name HN  ))
      4.300     2.300     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      8.210 ppm2      1.030 CV     1
 ASSI {  771}
   (( segid "SAP" and resid 206  and name HD21))
   (( segid "SAP" and resid 207  and name HN  ))
      3.600     1.600     1.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.17437E-02 ppm1      7.823 ppm2      7.228 CV     1
 ASSI {  772}
   (  segid "SAP" and resid 200  and name HE% )
   (( segid "SAP" and resid 204  and name HN  ))
      4.400     2.400     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.96243E-03 ppm1      7.828 ppm2      7.082 CV     1
 ASSI {  774}
   (( segid "SAP" and resid 174  and name HD22))
   (( segid "SAP" and resid 174  and name HN  ))
      4.400     2.500     1.600 peak   774 spectrum    1 weight  0.10000E+01 volume  0.71333E-03 ppm1      8.444 ppm2      6.841 CV     1
 ASSI {  775}
   (( segid "SAP" and resid 174  and name HD21))
   (( segid "SAP" and resid 174  and name HN  ))
      3.800     1.800     1.800 peak   775 spectrum    1 weight  0.10000E+01 volume  0.79825E-03 ppm1      8.444 ppm2      7.389 CV     1
 ASSI {  776}
   (( segid "SAP" and resid 174  and name HA  ))
   (( segid "SAP" and resid 174  and name HN  ))
      2.900     1.000     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.29835E-02 ppm1      8.442 ppm2      4.769 CV     1
 ASSI {  777}
   (( segid "SAP" and resid 177  and name HA  ))
   (( segid "SAP" and resid 174  and name HN  ))
      4.900     3.000     1.100 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      8.444 ppm2      4.054 CV     1
 ASSI {  778}
   (( segid "SAP" and resid 196  and name HA  ))
   (( segid "SAP" and resid 196  and name HN  ))
      2.900     1.000     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.53443E-02 ppm1      8.202 ppm2      3.756 CV     1
 OR {  778}
   (( segid "SAP" and resid 138  and name HB2 ))
   (( segid "SAP" and resid 138  and name HN  ))
 ASSI {  779}
   (( segid "SAP" and resid 195  and name HA  ))
   (( segid "SAP" and resid 196  and name HN  ))
      3.500     1.500     1.500 peak   779 spectrum    1 weight  0.10000E+01 volume  0.17720E-02 ppm1      8.199 ppm2      4.374 CV     1
 ASSI {  780}
   (( segid "SAP" and resid 193  and name HA  ))
   (( segid "SAP" and resid 196  and name HN  ))
      3.300     1.400     1.400 peak   780 spectrum    1 weight  0.10000E+01 volume  0.22532E-02 ppm1      8.199 ppm2      3.518 CV     1
 ASSI {  782}
   (( segid "SAP" and resid 141  and name HA  ))
   (( segid "SAP" and resid 143  and name HN  ))
      4.100     2.100     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      8.021 ppm2      4.341 CV     1
 ASSI {  784}
   (( segid "SAP" and resid 168  and name HD2 ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.400     3.400     2.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.65672E-03 ppm1      8.275 ppm2      3.674 CV     1
 ASSI {  785}
   (( segid "SAP" and resid 174  and name HB1 ))
   (( segid "SAP" and resid 176  and name HN  ))
      3.700     1.700     1.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      8.203 ppm2      3.272 CV     1
 ASSI {  786}
   (( segid "SAP" and resid 174  and name HB2 ))
   (( segid "SAP" and resid 176  and name HN  ))
      4.300     2.400     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.65672E-03 ppm1      8.210 ppm2      2.933 CV     1
 ASSI {  788}
   (( segid "SAP" and resid 192  and name HB1 ))
   (( segid "SAP" and resid 196  and name HN  ))
      3.900     1.900     1.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.91148E-03 ppm1      8.199 ppm2      2.911 CV     1
 ASSI {  789}
   (( segid "SAP" and resid 198  and name HN  ))
   (( segid "SAP" and resid 196  and name HN  ))
      2.800     1.000     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      8.202 ppm2      8.019 CV     1
 OR {  789}
   (( segid "SAP" and resid 199  and name HN  ))
   (( segid "SAP" and resid 196  and name HN  ))
 ASSI {  790}
   (( segid "SAP" and resid 137  and name HB2 ))
   (( segid "SAP" and resid 137  and name HN  ))
      3.300     1.400     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      8.228 ppm2      2.567 CV     1
 ASSI {  791}
   (( segid "SAP" and resid 162  and name HA  ))
   (( segid "SAP" and resid 167  and name HN  ))
      3.000     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.46763E-02 ppm1      8.276 ppm2      3.942 CV     1
 ASSI {  792}
   (( segid "SAP" and resid 184  and name HA  ))
   (( segid "SAP" and resid 185  and name HN  ))
      3.200     1.300     1.300 peak   792 spectrum    1 weight  0.10000E+01 volume  0.33798E-02 ppm1      7.418 ppm2      4.140 CV     1
 ASSI {  793}
   (( segid "SAP" and resid 192  and name HA  ))
   (( segid "SAP" and resid 192  and name HN  ))
      3.600     1.600     1.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      8.510 ppm2      4.771 CV     1
 ASSI {  794}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 186  and name HN  ))
      4.100     2.100     1.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.14776E-02 ppm1      9.448 ppm2      0.414 CV     1
 ASSI {  795}
   (  segid "SAP" and resid 143  and name HG2%)
   (( segid "SAP" and resid 144  and name HN  ))
      3.300     1.400     1.400 peak   795 spectrum    1 weight  0.10000E+01 volume  0.45687E-02 ppm1      8.341 ppm2      0.923 CV     1
 OR {  795}
   (  segid "SAP" and resid 140  and name HG2%)
   (( segid "SAP" and resid 141  and name HN  ))
 OR {  795}
   (  segid "SAP" and resid 140  and name HG1%)
   (( segid "SAP" and resid 141  and name HN  ))
 ASSI {  796}
   (( segid "SAP" and resid 152  and name HN  ))
   (( segid "SAP" and resid 150  and name HN  ))
      4.400     2.400     1.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.362 ppm2      7.093 CV     1
 ASSI {  802}
   (  segid "SAP" and resid 197  and name HD2%)
   (( segid "SAP" and resid 200  and name HN  ))
      5.200     5.200     0.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.31930E-03 ppm1      8.477 ppm2     -0.027 CV     1
 OR {  802}
   (  segid "SAP" and resid 204  and name HG2%)
   (( segid "SAP" and resid 200  and name HN  ))
 ASSI {  803}
   (( segid "SAP" and resid 180  and name HB2 ))
   (( segid "SAP" and resid 182  and name HN  ))
      4.300     2.300     1.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11209E-02 ppm1      8.566 ppm2      2.138 CV     1
 OR {  803}
   (( segid "SAP" and resid 180  and name HB1 ))
   (( segid "SAP" and resid 182  and name HN  ))
 OR {  803}
   (( segid "SAP" and resid 162  and name HB1 ))
   (( segid "SAP" and resid 182  and name HN  ))
 ASSI {  804}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 182  and name HN  ))
      4.200     2.200     1.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.17097E-02 ppm1      8.569 ppm2      0.645 CV     1
 ASSI {  805}
   (( segid "SAP" and resid 173  and name HA  ))
   (( segid "SAP" and resid 178  and name HN  ))
      5.400     3.700     0.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.51405E-03 ppm1      8.362 ppm2      4.314 CV     1
 ASSI {  806}
   (  segid "SAP" and resid 179  and name HG2%)
   (( segid "SAP" and resid 178  and name HN  ))
      5.200     3.400     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.39856E-03 ppm1      8.362 ppm2      0.483 CV     1
 ASSI {  807}
   (( segid "SAP" and resid 209  and name HB1 ))
   (( segid "SAP" and resid 210  and name HN  ))
      4.300     2.300     1.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.45970E-03 ppm1      8.054 ppm2      2.855 CV     1
 ASSI {  808}
   (( segid "SAP" and resid 166  and name HN  ))
   (( segid "SAP" and resid 164  and name HN  ))
      4.100     2.100     1.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.67370E-03 ppm1      8.832 ppm2      7.551 CV     1
 ASSI {  809}
   (( segid "SAP" and resid 193  and name HG2 ))
   (( segid "SAP" and resid 197  and name HN  ))
      4.500     2.500     1.500 peak   809 spectrum    1 weight  0.10000E+01 volume  0.77561E-03 ppm1      8.484 ppm2      2.046 CV     1
 OR {  809}
   (( segid "SAP" and resid 193  and name HB1 ))
   (( segid "SAP" and resid 197  and name HN  ))
 OR {  809}
   (( segid "SAP" and resid 193  and name HB2 ))
   (( segid "SAP" and resid 197  and name HN  ))
 ASSI {  813}
   (( segid "SAP" and resid 177  and name HG1 ))
   (( segid "SAP" and resid 174  and name HN  ))
      3.100     1.200     1.200 peak   813 spectrum    1 weight  0.10000E+01 volume  0.24061E-02 ppm1      8.439 ppm2      2.655 CV     1
 ASSI {  814}
   (( segid "SAP" and resid 177  and name HG2 ))
   (( segid "SAP" and resid 174  and name HN  ))
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.32949E-02 ppm1      8.437 ppm2      2.424 CV     1
 ASSI {  815}
   (( segid "SAP" and resid 177  and name HB1 ))
   (( segid "SAP" and resid 174  and name HN  ))
      3.400     3.400     2.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.60577E-02 ppm1      8.444 ppm2      2.281 CV     1
 ASSI {  816}
   (( segid "SAP" and resid 177  and name HB2 ))
   (( segid "SAP" and resid 174  and name HN  ))
      2.100     2.100     3.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.49990E-02 ppm1      8.446 ppm2      1.976 CV     1
 ASSI {  817}
   (( segid "SAP" and resid 173  and name HB1 ))
   (( segid "SAP" and resid 174  and name HN  ))
      2.200     0.600     0.600 peak   817 spectrum    1 weight  0.10000E+01 volume  0.10304E-01 ppm1      8.448 ppm2      1.773 CV     1
 ASSI {  818}
   (( segid "SAP" and resid 173  and name HB2 ))
   (( segid "SAP" and resid 174  and name HN  ))
      3.100     1.200     1.200 peak   818 spectrum    1 weight  0.10000E+01 volume  0.58312E-02 ppm1      8.445 ppm2      1.470 CV     1
 ASSI {  819}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 180  and name HN  ))
      4.500     2.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.31421E-03 ppm1      7.596 ppm2      8.955 CV     1
 ASSI {  820}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 180  and name HN  ))
      3.600     1.700     1.700 peak   820 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      7.598 ppm2      0.848 CV     1
 OR {  820}
   (  segid "SAP" and resid 181  and name HD1%)
   (( segid "SAP" and resid 180  and name HN  ))
 ASSI {  821}
   (( segid "SAP" and resid 204  and name HA  ))
   (( segid "SAP" and resid 208  and name HN  ))
      4.200     2.200     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.55368E-03 ppm1      8.152 ppm2      3.562 CV     1
 ASSI {  822}
   (( segid "SAP" and resid 208  and name HD2 ))
   (( segid "SAP" and resid 208  and name HN  ))
      3.300     1.300     1.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.25080E-02 ppm1      8.149 ppm2      1.614 CV     1
 OR {  822}
   (( segid "SAP" and resid 208  and name HD1 ))
   (( segid "SAP" and resid 208  and name HN  ))
 ASSI {  823}
   (( segid "SAP" and resid 209  and name HN  ))
   (( segid "SAP" and resid 207  and name HN  ))
      3.300     3.300     2.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.71333E-03 ppm1      7.843 ppm2      8.323 CV     1
 ASSI {  824}
   (( segid "SAP" and resid 205  and name HN  ))
   (( segid "SAP" and resid 204  and name HN  ))
      2.500     0.800     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.96243E-02 ppm1      7.824 ppm2      7.975 CV     1
 ASSI {  825}
   (( segid "SAP" and resid 205  and name HB2 ))
   (( segid "SAP" and resid 204  and name HN  ))
      3.500     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.34648E-02 ppm1      7.837 ppm2      1.818 CV     1
 OR {  825}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 204  and name HN  ))
 OR {  825}
   (( segid "SAP" and resid 205  and name HG1 ))
   (( segid "SAP" and resid 204  and name HN  ))
 OR {  825}
   (( segid "SAP" and resid 205  and name HB1 ))
   (( segid "SAP" and resid 207  and name HN  ))
 ASSI {  829}
   (( segid "SAP" and resid 185  and name HD2 ))
   (( segid "SAP" and resid 185  and name HN  ))
      3.300     3.300     2.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.80391E-03 ppm1      7.425 ppm2      7.005 CV     1
 ASSI {  830}
   (( segid "SAP" and resid 183  and name HA2 ))
   (( segid "SAP" and resid 185  and name HN  ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.83788E-03 ppm1      7.418 ppm2      3.553 CV     1
 ASSI {  831}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 185  and name HN  ))
      5.100     3.300     0.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.32043E-03 ppm1      7.417 ppm2      0.431 CV     1
 OR {  831}
   (  segid "SAP" and resid 150  and name HD1%)
   (( segid "SAP" and resid 181  and name HN  ))
 ASSI {  832}
   (( segid "SAP" and resid 181  and name HN  ))
   (( segid "SAP" and resid 179  and name HN  ))
      4.700     2.800     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.28477E-03 ppm1      8.733 ppm2      7.375 CV     1
 ASSI {  833}
   (( segid "SAP" and resid 165  and name HA  ))
   (( segid "SAP" and resid 167  and name HN  ))
      4.500     2.600     1.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.80391E-03 ppm1      8.286 ppm2      4.325 CV     1
 ASSI {  834}
   (( segid "SAP" and resid 166  and name HG2 ))
   (( segid "SAP" and resid 167  and name HN  ))
      4.300     2.300     1.700 peak   834 spectrum    1 weight  0.10000E+01 volume  0.19362E-02 ppm1      8.277 ppm2      1.272 CV     1
 OR {  834}
   (( segid "SAP" and resid 166  and name HG1 ))
   (( segid "SAP" and resid 167  and name HN  ))
 ASSI {  835}
   (  segid "SAP" and resid 169  and name HG2%)
   (( segid "SAP" and resid 167  and name HN  ))
      3.400     1.400     1.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.70201E-03 ppm1      8.283 ppm2      1.068 CV     1
 ASSI {  836}
   (( segid "SAP" and resid 159  and name HN  ))
   (( segid "SAP" and resid 157  and name HN  ))
      3.900     1.900     1.900 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      7.456 ppm2      8.652 CV     1
 ASSI {  837}
   (  segid "SAP" and resid 155  and name HG2%)
   (( segid "SAP" and resid 157  and name HN  ))
      3.900     1.900     1.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.23438E-02 ppm1      7.452 ppm2      0.943 CV     1
 ASSI {  838}
   (  segid "SAP" and resid 181  and name HG2%)
   (( segid "SAP" and resid 184  and name HN  ))
      4.400     2.500     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.66238E-03 ppm1      7.620 ppm2      0.955 CV     1
 ASSI {  839}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 184  and name HN  ))
      4.200     2.200     1.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.66804E-03 ppm1      7.622 ppm2      0.881 CV     1
 OR {  839}
   (  segid "SAP" and resid 153  and name HD1%)
   (( segid "SAP" and resid 184  and name HN  ))
 ASSI {  840}
   (  segid "SAP" and resid 153  and name HD2%)
   (( segid "SAP" and resid 153  and name HN  ))
      3.000     1.100     1.100 peak   840 spectrum    1 weight  0.10000E+01 volume  0.71899E-02 ppm1      7.178 ppm2      0.749 CV     1
 ASSI {  841}
   (  segid "SAP" and resid 158  and name HD2%)
   (( segid "SAP" and resid 153  and name HN  ))
      3.000     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.55198E-02 ppm1      7.179 ppm2      0.656 CV     1
 OR {  841}
   (  segid "SAP" and resid 158  and name HD1%)
   (( segid "SAP" and resid 153  and name HN  ))
 ASSI {  842}
   (( segid "SAP" and resid 206  and name HB2 ))
   (( segid "SAP" and resid 205  and name HN  ))
      4.900     3.000     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.48461E-03 ppm1      7.970 ppm2      2.418 CV     1
 ASSI {  843}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 205  and name HN  ))
      3.800     1.800     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI {  844}
   (( segid "SAP" and resid 160  and name HN  ))
   (( segid "SAP" and resid 162  and name HN  ))
      3.500     1.500     1.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.19022E-02 ppm1      8.191 ppm2      7.803 CV     1
 OR {  844}
   (( segid "SAP" and resid 165  and name HN  ))
   (( segid "SAP" and resid 163  and name HN  ))
 OR {  844}
   (( segid "SAP" and resid 160  and name HN  ))
   (( segid "SAP" and resid 163  and name HN  ))
 ASSI {  846}
   (  segid "SAP" and resid 201  and name HD1%)
   (( segid "SAP" and resid 201  and name HN  ))
      4.500     2.500     1.500 peak   846 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      8.648 ppm2      1.056 CV     1
 OR {  846}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 201  and name HN  ))
 ASSI {  847}
   (  segid "SAP" and resid 173  and name HD1%)
   (( segid "SAP" and resid 177  and name HN  ))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.13587E-02 ppm1      8.290 ppm2      0.846 CV     1
 OR {  847}
   (  segid "SAP" and resid 178  and name HD1%)
   (( segid "SAP" and resid 177  and name HN  ))
 ASSI {  848}
   (( segid "SAP" and resid 177  and name HE21))
   (( segid "SAP" and resid 177  and name HN  ))
      4.200     2.200     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.92280E-03 ppm1      8.285 ppm2      7.427 CV     1
 ASSI {  849}
   (( segid "SAP" and resid 180  and name HN  ))
   (( segid "SAP" and resid 177  and name HN  ))
      4.300     2.300     1.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      8.295 ppm2      7.598 CV     1
 ASSI {  852}
   (  segid "SAP" and resid 198  and name HG2%)
   (( segid "SAP" and resid 202  and name HN  ))
      3.900     1.900     1.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      7.997 ppm2      1.246 CV     1
 ASSI {  853}
   (  segid "SAP" and resid 167  and name HD1%)
   (( segid "SAP" and resid 166  and name HN  ))
      3.300     3.300     2.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.79259E-03 ppm1      7.552 ppm2      0.871 CV     1
 ASSI {  854}
   (  segid "SAP" and resid 167  and name HD2%)
   (( segid "SAP" and resid 166  and name HN  ))
      3.300     3.300     2.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.71899E-03 ppm1      7.553 ppm2      0.782 CV     1
 ASSI {  856}
   (( segid "SAP" and resid 154  and name HB1 ))
   (( segid "SAP" and resid 156  and name HN  ))
      4.000     2.000     2.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.49650E-03 ppm1      8.957 ppm2      2.393 CV     1
 ASSI {  857}
   (( segid "SAP" and resid 206  and name HA  ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.200     1.200     1.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.30741E-02 ppm1      7.776 ppm2      4.544 CV     1
 ASSI {  858}
   (( segid "SAP" and resid 202  and name HB1 ))
   (( segid "SAP" and resid 206  and name HN  ))
      3.700     1.700     1.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.97942E-03 ppm1      7.773 ppm2      3.145 CV     1
 OR {  858}
   (( segid "SAP" and resid 202  and name HB2 ))
   (( segid "SAP" and resid 206  and name HN  ))
 OR {  858}
   (( segid "SAP" and resid 205  and name HD1 ))
   (( segid "SAP" and resid 206  and name HN  ))
 ASSI {  859}
   (( segid "SAP" and resid 201  and name HA  ))
   (( segid "SAP" and resid 203  and name HN  ))
      4.000     2.000     2.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.74730E-03 ppm1      8.487 ppm2      3.622 CV     1
 OR {  859}
   (( segid "SAP" and resid 200  and name HB1 ))
   (( segid "SAP" and resid 203  and name HN  ))
 ASSI {  860}
   (  segid "SAP" and resid 201  and name HG2%)
   (( segid "SAP" and resid 203  and name HN  ))
      4.700     2.700     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.45121E-03 ppm1      8.487 ppm2      1.016 CV     1
 ASSI {  861}
   (( segid "SAP" and resid 189  and name HG12))
   (( segid "SAP" and resid 188  and name HN  ))
      5.100     3.200     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.87185E-03 ppm1      7.669 ppm2      0.445 CV     1
 ASSI {  864}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 152  and name HE22))
      4.700     2.700     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.68502E-03 ppm1      6.633 ppm2      1.958 CV     1
 ASSI {  865}
   (( segid "SAP" and resid 152  and name HB2 ))
   (( segid "SAP" and resid 152  and name HE21))
      3.400     1.400     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.17211E-02 ppm1      7.757 ppm2      1.968 CV     1
 ASSI {  867}
   (( segid "SAP" and resid 183  and name HN  ))
   (( segid "SAP" and resid 187  and name HN  ))
      5.400     3.700     0.600 peak   867 spectrum    1 weight  0.10000E+01 volume  0.33572E-03 ppm1      7.464 ppm2      8.948 CV     1
 ASSI {  869}
   (  segid "SAP" and resid 186  and name HE% )
   (( segid "SAP" and resid 187  and name HN  ))
      3.400     1.500     1.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17494E-02 ppm1      7.469 ppm2      7.140 CV     1
 OR {  869}
   (( segid "SAP" and resid 189  and name HN  ))
   (( segid "SAP" and resid 187  and name HN  ))
 ASSI {  871}
   (( segid "SAP" and resid 208  and name HB1 ))
   (( segid "SAP" and resid 208  and name HN  ))
      3.000     1.100     1.100 peak   871 spectrum    1 weight  0.10000E+01 volume  0.73598E-02 ppm1      8.149 ppm2      1.818 CV     1
 ASSI {    1}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 472  and name HN  ))
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.93378E-02 ppm1      7.846 ppm2      1.001 CV     1
 ASSI {    2}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HN  ))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10846E-01 ppm1      7.845 ppm2      1.454 CV     1
 ASSI {    3}
   (( segid "PAH3" and resid 472  and name HA  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.68166E-02 ppm1      7.848 ppm2      3.097 CV     1
 ASSI {    4}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 489  and name HN  ))
      2.500     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.74703E-02 ppm1      8.265 ppm2      1.010 CV     1
 ASSI {    5}
   (( segid "PAH3" and resid 464  and name HB1 ))
   (( segid "PAH3" and resid 465  and name HN  ))
      3.600     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.28157E-02 ppm1      8.366 ppm2      2.303 CV     1
 ASSI {    6}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (( segid "PAH3" and resid 464  and name HN  ))
      2.900     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.30312E-02 ppm1      9.827 ppm2      2.066 CV     1
 ASSI {    7}
   (( segid "PAH3" and resid 464  and name HA  ))
   (( segid "PAH3" and resid 464  and name HN  ))
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.46474E-02 ppm1      9.827 ppm2      4.085 CV     1
 ASSI {    8}
   (( segid "PAH3" and resid 492  and name HN  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      4.300     2.300     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.56961E-03 ppm1      7.640 ppm2      9.688 CV     1
 ASSI {    9}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      4.300     2.300     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.76139E-03 ppm1      7.830 ppm2      1.252 CV     1
 OR {    9}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 528  and name HN  ))
 ASSI {   10}
   (( segid "PAH3" and resid 481  and name HB1 ))
   (( segid "PAH3" and resid 482  and name HN  ))
      2.700     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.44247E-02 ppm1      8.522 ppm2      3.163 CV     1
 ASSI {   11}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (( segid "PAH3" and resid 482  and name HN  ))
      3.600     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.40799E-02 ppm1      8.521 ppm2      2.990 CV     1
 ASSI {   12}
   (( segid "PAH3" and resid 481  and name HB1 ))
   (( segid "PAH3" and resid 481  and name HN  ))
      2.300     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.16952E-01 ppm1      7.841 ppm2      3.184 CV     1
 ASSI {   13}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (( segid "PAH3" and resid 481  and name HN  ))
      2.300     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.13504E-01 ppm1      7.840 ppm2      2.981 CV     1
 ASSI {   14}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HN  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.15946E-01 ppm1      7.848 ppm2      3.095 CV     1
 ASSI {   15}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HN  ))
      2.600     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.62994E-02 ppm1      7.848 ppm2      2.746 CV     1
 ASSI {   16}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (( segid "PAH3" and resid 488  and name HN  ))
      3.300     1.400     1.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.53657E-02 ppm1      6.946 ppm2      1.815 CV     1
 ASSI {   17}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      3.600     1.600     1.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      7.831 ppm2      1.677 CV     1
 ASSI {   18}
   (( segid "PAH3" and resid 527  and name HB2 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      3.700     1.700     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.24566E-02 ppm1      7.830 ppm2      1.855 CV     1
 ASSI {   19}
   (( segid "PAH3" and resid 500  and name HA  ))
   (( segid "PAH3" and resid 500  and name HN  ))
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.71111E-02 ppm1      7.830 ppm2      4.009 CV     1
 OR {   19}
   (( segid "PAH3" and resid 499  and name HA  ))
   (( segid "PAH3" and resid 500  and name HN  ))
 ASSI {   20}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.400     1.400     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.27870E-02 ppm1      7.276 ppm2      3.835 CV     1
 OR {   20}
   (( segid "PAH3" and resid 506  and name HA  ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {   21}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.34191E-02 ppm1      7.281 ppm2      3.675 CV     1
 ASSI {   22}
   (( segid "PAH3" and resid 527  and name HB1 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      3.600     1.600     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.21836E-02 ppm1      7.830 ppm2      2.039 CV     1
 ASSI {   23}
   (( segid "PAH3" and resid 527  and name HG2 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      4.000     2.000     2.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1      7.833 ppm2      2.237 CV     1
 OR {   23}
   (( segid "PAH3" and resid 527  and name HG1 ))
   (( segid "PAH3" and resid 528  and name HN  ))
 ASSI {   24}
   (( segid "PAH3" and resid 528  and name HB2 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      3.000     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.44175E-02 ppm1      7.831 ppm2      3.815 CV     1
 OR {   24}
   (( segid "PAH3" and resid 528  and name HB1 ))
   (( segid "PAH3" and resid 528  and name HN  ))
 ASSI {   25}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      9.824 ppm2      2.638 CV     1
 ASSI {   26}
   (( segid "PAH3" and resid 464  and name HG2 ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.200     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.21908E-02 ppm1      9.827 ppm2      2.402 CV     1
 ASSI {   27}
   (( segid "PAH3" and resid 464  and name HB1 ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.300     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.53728E-02 ppm1      9.828 ppm2      2.299 CV     1
 ASSI {   28}
   (( segid "PAH3" and resid 467  and name HB1 ))
   (( segid "PAH3" and resid 467  and name HN  ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.94815E-02 ppm1      7.384 ppm2      2.128 CV     1
 ASSI {   29}
   (( segid "PAH3" and resid 528  and name HA  ))
   (( segid "PAH3" and resid 528  and name HN  ))
      2.900     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.52507E-02 ppm1      7.827 ppm2      4.226 CV     1
 ASSI {   30}
   (( segid "PAH3" and resid 527  and name HA  ))
   (( segid "PAH3" and resid 528  and name HN  ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.15443E-01 ppm1      7.832 ppm2      4.110 CV     1
 ASSI {   32}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (( segid "PAH3" and resid 487  and name HN  ))
      2.800     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.38572E-02 ppm1      7.365 ppm2      2.219 CV     1
 ASSI {   33}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (( segid "PAH3" and resid 487  and name HN  ))
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.55883E-02 ppm1      7.367 ppm2      3.291 CV     1
 ASSI {   34}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.900     1.900     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12067E-02 ppm1      8.172 ppm2      1.546 CV     1
 ASSI {   35}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.800     1.800     1.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      8.167 ppm2      1.687 CV     1
 ASSI {   36}
   (( segid "PAH3" and resid 500  and name HB1 ))
   (( segid "PAH3" and resid 501  and name HN  ))
      3.700     1.800     1.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      8.588 ppm2      2.565 CV     1
 ASSI {   37}
   (( segid "PAH3" and resid 462  and name HN  ))
   (( segid "PAH3" and resid 461  and name HN  ))
      4.000     2.000     2.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.95533E-03 ppm1      8.168 ppm2      8.774 CV     1
 ASSI {   38}
   (( segid "PAH3" and resid 461  and name HA  ))
   (( segid "PAH3" and resid 461  and name HN  ))
      3.200     1.300     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.28373E-02 ppm1      8.165 ppm2      4.266 CV     1
 ASSI {   39}
   (( segid "PAH3" and resid 460  and name HA1 ))
   (( segid "PAH3" and resid 461  and name HN  ))
      2.600     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.10774E-01 ppm1      8.167 ppm2      4.012 CV     1
 OR {   39}
   (( segid "PAH3" and resid 460  and name HA2 ))
   (( segid "PAH3" and resid 461  and name HN  ))
 ASSI {   40}
   (( segid "PAH3" and resid 461  and name HB  ))
   (( segid "PAH3" and resid 461  and name HN  ))
      2.900     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.57320E-02 ppm1      8.165 ppm2      2.163 CV     1
 ASSI {   41}
   (( segid "PAH3" and resid 486  and name HB2 ))
   (( segid "PAH3" and resid 486  and name HN  ))
      2.400     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11277E-01 ppm1      8.166 ppm2      0.983 CV     1
 OR {   41}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 461  and name HN  ))
 OR {   41}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "PAH3" and resid 461  and name HN  ))
 ASSI {   42}
   (( segid "PAH3" and resid 461  and name HA  ))
   (( segid "PAH3" and resid 462  and name HN  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.10774E-01 ppm1      8.773 ppm2      4.266 CV     1
 OR {   42}
   (( segid "PAH3" and resid 462  and name HA1 ))
   (( segid "PAH3" and resid 462  and name HN  ))
 ASSI {   43}
   (( segid "PAH3" and resid 462  and name HA2 ))
   (( segid "PAH3" and resid 462  and name HN  ))
      3.000     1.100     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.45396E-02 ppm1      8.772 ppm2      4.142 CV     1
 ASSI {   44}
   (  segid "PAH3" and resid 461  and name HG2%)
   (( segid "PAH3" and resid 462  and name HN  ))
      3.600     1.600     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.21046E-02 ppm1      8.772 ppm2      0.980 CV     1
 OR {   44}
   (  segid "PAH3" and resid 461  and name HG1%)
   (( segid "PAH3" and resid 462  and name HN  ))
 ASSI {   45}
   (( segid "PAH3" and resid 463  and name HA  ))
   (( segid "PAH3" and resid 463  and name HN  ))
      3.500     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      8.234 ppm2      4.294 CV     1
 OR {   45}
   (( segid "PAH3" and resid 462  and name HA1 ))
   (( segid "PAH3" and resid 463  and name HN  ))
 ASSI {   46}
   (( segid "PAH3" and resid 462  and name HA2 ))
   (( segid "PAH3" and resid 463  and name HN  ))
      3.700     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.96970E-03 ppm1      8.231 ppm2      4.157 CV     1
 ASSI {   48}
   (( segid "PAH3" and resid 463  and name HB  ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.500     1.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.23129E-02 ppm1      9.825 ppm2      4.454 CV     1
 ASSI {   49}
   (( segid "PAH3" and resid 463  and name HA  ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.829 ppm2      4.306 CV     1
 OR {   49}
   (( segid "PAH3" and resid 462  and name HA1 ))
   (( segid "PAH3" and resid 464  and name HN  ))
 ASSI {   50}
   (  segid "PAH3" and resid 463  and name HG2%)
   (( segid "PAH3" and resid 464  and name HN  ))
      4.500     2.600     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.88350E-03 ppm1      9.831 ppm2      1.312 CV     1
 ASSI {   51}
   (( segid "PAH3" and resid 464  and name HN  ))
   (( segid "PAH3" and resid 465  and name HN  ))
      2.900     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.45755E-02 ppm1      8.366 ppm2      9.826 CV     1
 ASSI {   52}
   (( segid "PAH3" and resid 466  and name HN  ))
   (( segid "PAH3" and resid 465  and name HN  ))
      2.700     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.57033E-02 ppm1      8.364 ppm2      7.581 CV     1
 ASSI {   53}
   (( segid "PAH3" and resid 465  and name HA  ))
   (( segid "PAH3" and resid 465  and name HN  ))
      2.800     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.55811E-02 ppm1      8.366 ppm2      4.319 CV     1
 ASSI {   54}
   (( segid "PAH3" and resid 464  and name HA  ))
   (( segid "PAH3" and resid 465  and name HN  ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.44462E-02 ppm1      8.366 ppm2      4.078 CV     1
 ASSI {   55}
   (( segid "PAH3" and resid 465  and name HB2 ))
   (( segid "PAH3" and resid 465  and name HN  ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.91942E-02 ppm1      8.366 ppm2      3.979 CV     1
 OR {   55}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (( segid "PAH3" and resid 465  and name HN  ))
 ASSI {   56}
   (( segid "PAH3" and resid 464  and name HB2 ))
   (( segid "PAH3" and resid 465  and name HN  ))
      3.100     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      8.360 ppm2      2.046 CV     1
 ASSI {   60}
   (( segid "PAH3" and resid 467  and name HN  ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.700     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.69244E-02 ppm1      7.584 ppm2      7.378 CV     1
 ASSI {   61}
   (( segid "PAH3" and resid 463  and name HA  ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.44175E-02 ppm1      7.582 ppm2      4.313 CV     1
 OR {   61}
   (( segid "PAH3" and resid 465  and name HA  ))
   (( segid "PAH3" and resid 466  and name HN  ))
 ASSI {   62}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.700     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.68813E-02 ppm1      7.585 ppm2      4.146 CV     1
 ASSI {   63}
   (( segid "PAH3" and resid 465  and name HB2 ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.900     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.48557E-02 ppm1      7.583 ppm2      3.993 CV     1
 OR {   63}
   (( segid "PAH3" and resid 465  and name HB1 ))
   (( segid "PAH3" and resid 466  and name HN  ))
 ASSI {   64}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.11349E-01 ppm1      7.585 ppm2      1.759 CV     1
 ASSI {   65}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (( segid "PAH3" and resid 466  and name HN  ))
      2.300     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.14150E-01 ppm1      7.586 ppm2      1.589 CV     1
 ASSI {   68}
   (  segid "PAH3" and resid 467  and name HD% )
   (( segid "PAH3" and resid 467  and name HN  ))
      4.300     2.300     1.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.16664E-02 ppm1      7.381 ppm2      5.896 CV     1
 ASSI {   69}
   (( segid "PAH3" and resid 463  and name HA  ))
   (( segid "PAH3" and resid 467  and name HN  ))
      4.100     2.100     1.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      7.375 ppm2      4.298 CV     1
 OR {   69}
   (( segid "PAH3" and resid 465  and name HA  ))
   (( segid "PAH3" and resid 467  and name HN  ))
 ASSI {   70}
   (( segid "PAH3" and resid 467  and name HA  ))
   (( segid "PAH3" and resid 467  and name HN  ))
      2.800     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.48198E-02 ppm1      7.380 ppm2      3.541 CV     1
 ASSI {   71}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 467  and name HN  ))
      3.000     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.38357E-02 ppm1      7.384 ppm2      4.106 CV     1
 OR {   71}
   (( segid "PAH3" and resid 464  and name HA  ))
   (( segid "PAH3" and resid 467  and name HN  ))
 ASSI {   72}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (( segid "PAH3" and resid 467  and name HN  ))
      4.900     3.000     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.41805E-03 ppm1      7.383 ppm2      2.626 CV     1
 OR {   72}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "PAH3" and resid 467  and name HN  ))
 ASSI {   73}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 467  and name HN  ))
      2.500     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.49131E-02 ppm1      7.381 ppm2      1.758 CV     1
 ASSI {   74}
   (( segid "PAH3" and resid 467  and name HB2 ))
   (( segid "PAH3" and resid 467  and name HN  ))
      2.600     0.800     0.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.13217E-01 ppm1      7.385 ppm2      1.579 CV     1
 OR {   74}
   (( segid "PAH3" and resid 466  and name HB2 ))
   (( segid "PAH3" and resid 467  and name HN  ))
 ASSI {   75}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 467  and name HN  ))
      4.700     2.800     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      7.382 ppm2      0.939 CV     1
 ASSI {   76}
   (( segid "PAH3" and resid 469  and name HN  ))
   (( segid "PAH3" and resid 468  and name HN  ))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.86914E-02 ppm1      7.462 ppm2      7.708 CV     1
 ASSI {   77}
   (  segid "PAH3" and resid 467  and name HD% )
   (( segid "PAH3" and resid 468  and name HN  ))
      3.300     1.400     1.400 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19035E-02 ppm1      7.469 ppm2      5.892 CV     1
 ASSI {   78}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (( segid "PAH3" and resid 468  and name HN  ))
      4.200     2.200     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.52148E-03 ppm1      7.467 ppm2      6.948 CV     1
 OR {   78}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 468  and name HN  ))
 ASSI {   79}
   (( segid "PAH3" and resid 468  and name HA  ))
   (( segid "PAH3" and resid 468  and name HN  ))
      2.700     0.900     0.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.53369E-02 ppm1      7.463 ppm2      3.706 CV     1
 ASSI {   80}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (( segid "PAH3" and resid 468  and name HN  ))
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.73266E-02 ppm1      7.464 ppm2      3.584 CV     1
 ASSI {   81}
   (( segid "PAH3" and resid 468  and name HB2 ))
   (( segid "PAH3" and resid 468  and name HN  ))
      2.500     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.66227E-02 ppm1      7.460 ppm2      2.983 CV     1
 ASSI {   82}
   (( segid "PAH3" and resid 467  and name HB1 ))
   (( segid "PAH3" and resid 468  and name HN  ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.41446E-02 ppm1      7.465 ppm2      2.132 CV     1
 ASSI {   83}
   (( segid "PAH3" and resid 467  and name HB2 ))
   (( segid "PAH3" and resid 468  and name HN  ))
      4.100     2.100     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.27295E-02 ppm1      7.464 ppm2      1.581 CV     1
 ASSI {   85}
   (( segid "PAH3" and resid 469  and name HA  ))
   (( segid "PAH3" and resid 469  and name HN  ))
      2.700     0.900     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.79731E-02 ppm1      7.694 ppm2      4.286 CV     1
 ASSI {   86}
   (( segid "PAH3" and resid 466  and name HA  ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.000     1.200     1.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.40440E-02 ppm1      7.694 ppm2      4.147 CV     1
 ASSI {   87}
   (( segid "PAH3" and resid 468  and name HA  ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.100     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.35556E-02 ppm1      7.693 ppm2      3.694 CV     1
 OR {   87}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 469  and name HN  ))
 ASSI {   88}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.700     1.700     1.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.26433E-02 ppm1      7.692 ppm2      3.581 CV     1
 ASSI {   89}
   (( segid "PAH3" and resid 468  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      2.600     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.47767E-02 ppm1      7.693 ppm2      2.974 CV     1
 ASSI {   90}
   (( segid "PAH3" and resid 469  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.12642E-01 ppm1      7.696 ppm2      2.746 CV     1
 ASSI {   91}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.89787E-02 ppm1      7.694 ppm2      2.590 CV     1
 ASSI {   92}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.18676E-02 ppm1      7.695 ppm2      1.759 CV     1
 OR {   92}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 469  and name HN  ))
 OR {   92}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 469  and name HN  ))
 ASSI {   93}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.600     1.600     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.30599E-02 ppm1      7.694 ppm2      1.552 CV     1
 OR {   93}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 469  and name HN  ))
 OR {   93}
   (( segid "PAH3" and resid 467  and name HB2 ))
   (( segid "PAH3" and resid 469  and name HN  ))
 ASSI {   94}
   (( segid "PAH3" and resid 471  and name HN  ))
   (( segid "PAH3" and resid 470  and name HN  ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.81885E-02 ppm1      7.599 ppm2      7.863 CV     1
 ASSI {   95}
   (( segid "PAH3" and resid 469  and name HN  ))
   (( segid "PAH3" and resid 470  and name HN  ))
      2.300     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12355E-01 ppm1      7.598 ppm2      7.707 CV     1
 ASSI {   96}
   (( segid "PAH3" and resid 469  and name HA  ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17814E-02 ppm1      7.597 ppm2      4.285 CV     1
 ASSI {   97}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 470  and name HN  ))
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.68166E-02 ppm1      7.600 ppm2      3.697 CV     1
 ASSI {   98}
   (( segid "PAH3" and resid 467  and name HA  ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.600     1.600     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      7.599 ppm2      3.550 CV     1
 ASSI {   99}
   (( segid "PAH3" and resid 469  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.47982E-02 ppm1      7.599 ppm2      2.737 CV     1
 ASSI {  100}
   (( segid "PAH3" and resid 469  and name HB2 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.700     1.700     1.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.39291E-02 ppm1      7.598 ppm2      2.583 CV     1
 ASSI {  101}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "PAH3" and resid 470  and name HN  ))
      4.300     4.300     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10487E-02 ppm1      7.598 ppm2     -0.021 CV     1
 ASSI {  102}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      2.200     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.15587E-01 ppm1      7.601 ppm2      1.531 CV     1
 OR {  102}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 470  and name HN  ))
 ASSI {  104}
   (( segid "PAH3" and resid 467  and name HA  ))
   (( segid "PAH3" and resid 471  and name HN  ))
      3.700     1.700     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.17526E-02 ppm1      7.861 ppm2      3.553 CV     1
 OR {  104}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (( segid "PAH3" and resid 471  and name HN  ))
 ASSI {  105}
   (( segid "PAH3" and resid 468  and name HA  ))
   (( segid "PAH3" and resid 471  and name HN  ))
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.63928E-02 ppm1      7.862 ppm2      3.690 CV     1
 OR {  105}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 471  and name HN  ))
 ASSI {  106}
   (( segid "PAH3" and resid 471  and name HA  ))
   (( segid "PAH3" and resid 471  and name HN  ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.43313E-02 ppm1      7.867 ppm2      2.876 CV     1
 ASSI {  107}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 471  and name HN  ))
      2.300     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.17095E-01 ppm1      7.864 ppm2      1.775 CV     1
 OR {  107}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 471  and name HN  ))
 ASSI {  108}
   (( segid "PAH3" and resid 470  and name HB2 ))
   (( segid "PAH3" and resid 471  and name HN  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.67232E-02 ppm1      7.861 ppm2      1.511 CV     1
 OR {  108}
   (( segid "PAH3" and resid 470  and name HG1 ))
   (( segid "PAH3" and resid 471  and name HN  ))
 OR {  108}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 480  and name HN  ))
 ASSI {  109}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 471  and name HN  ))
      3.900     1.900     1.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12355E-02 ppm1      7.861 ppm2      0.452 CV     1
 OR {  109}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 471  and name HN  ))
 ASSI {  110}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 471  and name HN  ))
      4.000     2.000     2.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      7.866 ppm2      0.307 CV     1
 ASSI {  111}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 471  and name HN  ))
      3.700     1.700     1.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.36848E-02 ppm1      7.867 ppm2      0.194 CV     1
 ASSI {  112}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "PAH3" and resid 471  and name HN  ))
      2.400     2.400     3.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.10415E-01 ppm1      7.864 ppm2     -0.017 CV     1
 ASSI {  114}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HN  ))
      3.700     1.700     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      7.846 ppm2      6.710 CV     1
 ASSI {  115}
   (( segid "PAH3" and resid 469  and name HA  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.300     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.18963E-02 ppm1      7.849 ppm2      4.274 CV     1
 ASSI {  116}
   (( segid "PAH3" and resid 471  and name HA  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.300     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.32108E-02 ppm1      7.845 ppm2      2.874 CV     1
 OR {  116}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 472  and name HN  ))
 OR {  116}
   (( segid "PAH3" and resid 472  and name HD2 ))
   (( segid "PAH3" and resid 472  and name HN  ))
 ASSI {  117}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.83322E-02 ppm1      7.847 ppm2      1.781 CV     1
 ASSI {  118}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.800     1.800     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.35053E-02 ppm1      7.847 ppm2      0.828 CV     1
 OR {  118}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 472  and name HN  ))
 ASSI {  119}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 472  and name HN  ))
      3.500     1.500     1.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.29953E-02 ppm1      7.847 ppm2      0.195 CV     1
 ASSI {  120}
   (  segid "PAH3" and resid 471  and name HG2%)
   (( segid "PAH3" and resid 472  and name HN  ))
      3.800     3.800     2.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.22770E-02 ppm1      7.848 ppm2     -0.021 CV     1
 ASSI {  121}
   (( segid "PAH3" and resid 472  and name HN  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.91942E-02 ppm1      7.386 ppm2      7.864 CV     1
 ASSI {  123}
   (( segid "PAH3" and resid 473  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      2.700     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.71829E-02 ppm1      7.388 ppm2      3.828 CV     1
 ASSI {  124}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.000     1.100     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.49634E-02 ppm1      7.388 ppm2      3.693 CV     1
 OR {  124}
   (( segid "PAH3" and resid 474  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
 ASSI {  125}
   (( segid "PAH3" and resid 472  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.500     1.600     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      7.386 ppm2      3.089 CV     1
 ASSI {  126}
   (( segid "PAH3" and resid 471  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.97688E-03 ppm1      7.391 ppm2      2.875 CV     1
 OR {  126}
   (( segid "PAH3" and resid 472  and name HD1 ))
   (( segid "PAH3" and resid 473  and name HN  ))
 ASSI {  127}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.11205E-01 ppm1      7.388 ppm2      1.703 CV     1
 ASSI {  128}
   (( segid "PAH3" and resid 473  and name HB2 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.16305E-01 ppm1      7.388 ppm2      1.600 CV     1
 ASSI {  129}
   (( segid "PAH3" and resid 473  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.800     1.800     1.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.386 ppm2      1.276 CV     1
 ASSI {  130}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.31174E-02 ppm1      7.389 ppm2      1.000 CV     1
 ASSI {  131}
   (( segid "PAH3" and resid 472  and name HG2 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      3.900     1.900     1.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      7.386 ppm2      0.821 CV     1
 OR {  131}
   (( segid "PAH3" and resid 472  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HN  ))
 ASSI {  132}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 473  and name HN  ))
      4.300     2.300     1.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      7.386 ppm2      0.308 CV     1
 ASSI {  133}
   (( segid "PAH3" and resid 473  and name HN  ))
   (( segid "PAH3" and resid 474  and name HN  ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11852E-01 ppm1      7.756 ppm2      7.386 CV     1
 ASSI {  134}
   (( segid "PAH3" and resid 474  and name HA  ))
   (( segid "PAH3" and resid 474  and name HN  ))
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10703E-01 ppm1      7.754 ppm2      3.701 CV     1
 OR {  134}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 474  and name HN  ))
 ASSI {  135}
   (( segid "PAH3" and resid 473  and name HA  ))
   (( segid "PAH3" and resid 474  and name HN  ))
      3.000     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.50065E-02 ppm1      7.755 ppm2      3.829 CV     1
 ASSI {  137}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 474  and name HN  ))
      2.300     0.600     0.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.19035E-01 ppm1      7.754 ppm2      0.308 CV     1
 ASSI {  138}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 474  and name HN  ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      7.757 ppm2      1.428 CV     1
 OR {  138}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 474  and name HN  ))
 ASSI {  139}
   (( segid "PAH3" and resid 473  and name HB1 ))
   (( segid "PAH3" and resid 474  and name HN  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.69172E-02 ppm1      7.757 ppm2      1.695 CV     1
 ASSI {  140}
   (( segid "PAH3" and resid 473  and name HB2 ))
   (( segid "PAH3" and resid 474  and name HN  ))
      3.400     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.67304E-02 ppm1      7.755 ppm2      1.599 CV     1
 ASSI {  141}
   (( segid "PAH3" and resid 472  and name HB2 ))
   (( segid "PAH3" and resid 474  and name HN  ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.67591E-03 ppm1      7.751 ppm2      0.985 CV     1
 OR {  141}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 474  and name HN  ))
 ASSI {  142}
   (( segid "PAH3" and resid 476  and name HN  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.80449E-02 ppm1      7.837 ppm2      7.383 CV     1
 ASSI {  143}
   (( segid "PAH3" and resid 473  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      3.400     1.400     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      7.839 ppm2      3.808 CV     1
 OR {  143}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
 ASSI {  144}
   (( segid "PAH3" and resid 472  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      3.600     1.600     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.12570E-02 ppm1      7.838 ppm2      3.092 CV     1
 ASSI {  145}
   (( segid "PAH3" and resid 475  and name HG  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      2.700     2.700     3.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.10918E-01 ppm1      7.835 ppm2      1.843 CV     1
 ASSI {  146}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (( segid "PAH3" and resid 475  and name HN  ))
      3.000     1.100     1.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.11780E-01 ppm1      7.835 ppm2      1.721 CV     1
 ASSI {  147}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 475  and name HN  ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.60480E-02 ppm1      7.837 ppm2      1.513 CV     1
 ASSI {  148}
   (( segid "PAH3" and resid 527  and name HB2 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.000     1.100     1.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.39147E-02 ppm1      8.169 ppm2      1.856 CV     1
 ASSI {  149}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 475  and name HN  ))
      3.100     1.200     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      7.835 ppm2      0.455 CV     1
 OR {  149}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 475  and name HN  ))
 ASSI {  150}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 475  and name HN  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      7.835 ppm2      0.303 CV     1
 ASSI {  151}
   (( segid "PAH3" and resid 477  and name HN  ))
   (( segid "PAH3" and resid 476  and name HN  ))
      3.000     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.37639E-02 ppm1      7.379 ppm2      8.378 CV     1
 ASSI {  153}
   (( segid "PAH3" and resid 475  and name HA  ))
   (( segid "PAH3" and resid 476  and name HN  ))
      3.000     1.200     1.200 peak   153 spectrum    1 weight  0.10000E+01 volume  0.41877E-02 ppm1      7.380 ppm2      4.150 CV     1
 ASSI {  154}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 476  and name HN  ))
      2.100     0.500     0.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.26792E-01 ppm1      7.382 ppm2      3.798 CV     1
 ASSI {  155}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HN  ))
      2.800     1.000     1.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.73984E-02 ppm1      7.384 ppm2      2.029 CV     1
 OR {  155}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HN  ))
 ASSI {  156}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 476  and name HN  ))
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.34765E-02 ppm1      7.378 ppm2      1.503 CV     1
 ASSI {  157}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (( segid "PAH3" and resid 476  and name HN  ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      7.381 ppm2      1.695 CV     1
 OR {  157}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 476  and name HN  ))
 ASSI {  158}
   (( segid "PAH3" and resid 478  and name HN  ))
   (( segid "PAH3" and resid 477  and name HN  ))
      4.800     2.900     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.76139E-03 ppm1      8.379 ppm2      9.048 CV     1
 ASSI {  159}
   (( segid "PAH3" and resid 475  and name HN  ))
   (( segid "PAH3" and resid 477  and name HN  ))
      3.500     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.24278E-02 ppm1      8.379 ppm2      7.849 CV     1
 OR {  159}
   (( segid "PAH3" and resid 481  and name HN  ))
   (( segid "PAH3" and resid 477  and name HN  ))
 ASSI {  160}
   (( segid "PAH3" and resid 476  and name HN  ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.800     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.63856E-02 ppm1      8.377 ppm2      7.378 CV     1
 ASSI {  162}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.600     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.73984E-02 ppm1      8.380 ppm2      4.233 CV     1
 ASSI {  163}
   (( segid "PAH3" and resid 475  and name HA  ))
   (( segid "PAH3" and resid 477  and name HN  ))
      3.100     1.200     1.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      8.380 ppm2      4.122 CV     1
 ASSI {  164}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.300     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16808E-01 ppm1      8.380 ppm2      3.787 CV     1
 OR {  164}
   (( segid "PAH3" and resid 476  and name HA  ))
   (( segid "PAH3" and resid 477  and name HN  ))
 ASSI {  165}
   (( segid "PAH3" and resid 476  and name HD1 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      3.200     3.200     2.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.91223E-03 ppm1      8.375 ppm2      3.243 CV     1
 OR {  165}
   (( segid "PAH3" and resid 476  and name HD2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
 ASSI {  166}
   (( segid "PAH3" and resid 476  and name HB1 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.99125E-02 ppm1      8.380 ppm2      2.028 CV     1
 OR {  166}
   (( segid "PAH3" and resid 476  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
 ASSI {  167}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 477  and name HN  ))
      2.800     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.70321E-02 ppm1      8.380 ppm2      1.666 CV     1
 OR {  167}
   (( segid "PAH3" and resid 476  and name HG2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
 OR {  167}
   (( segid "PAH3" and resid 476  and name HG1 ))
   (( segid "PAH3" and resid 477  and name HN  ))
 ASSI {  168}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.38070E-02 ppm1      8.380 ppm2      1.766 CV     1
 ASSI {  169}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      3.300     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.48916E-02 ppm1      8.380 ppm2      1.502 CV     1
 ASSI {  170}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 477  and name HN  ))
      4.800     2.900     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.66586E-03 ppm1      8.378 ppm2      0.972 CV     1
 ASSI {  171}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 477  and name HN  ))
      4.800     2.900     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.67807E-03 ppm1      8.378 ppm2      0.675 CV     1
 ASSI {  172}
   (( segid "PAH3" and resid 477  and name HA  ))
   (( segid "PAH3" and resid 477  and name HN  ))
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.83322E-02 ppm1      8.380 ppm2      4.666 CV     1
 ASSI {  173}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 478  and name HN  ))
      4.000     2.000     2.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.61199E-03 ppm1      9.041 ppm2      1.506 CV     1
 ASSI {  174}
   (( segid "PAH3" and resid 478  and name HN  ))
   (( segid "PAH3" and resid 479  and name HN  ))
      3.700     1.700     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.85477E-03 ppm1      8.614 ppm2      9.052 CV     1
 ASSI {  175}
   (( segid "PAH3" and resid 480  and name HN  ))
   (( segid "PAH3" and resid 479  and name HN  ))
      2.600     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.75421E-02 ppm1      8.612 ppm2      7.886 CV     1
 ASSI {  176}
   (( segid "PAH3" and resid 478  and name HA  ))
   (( segid "PAH3" and resid 479  and name HN  ))
      3.000     1.100     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.47264E-02 ppm1      8.611 ppm2      4.228 CV     1
 OR {  176}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HN  ))
 ASSI {  177}
   (( segid "PAH3" and resid 479  and name HA  ))
   (( segid "PAH3" and resid 479  and name HN  ))
      2.600     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      8.610 ppm2      4.078 CV     1
 ASSI {  178}
   (( segid "PAH3" and resid 479  and name HG2 ))
   (( segid "PAH3" and resid 479  and name HN  ))
      3.100     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      8.614 ppm2      2.352 CV     1
 OR {  178}
   (( segid "PAH3" and resid 479  and name HG1 ))
   (( segid "PAH3" and resid 479  and name HN  ))
 ASSI {  179}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (( segid "PAH3" and resid 479  and name HN  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10703E-01 ppm1      8.612 ppm2      2.112 CV     1
 ASSI {  180}
   (( segid "PAH3" and resid 479  and name HB2 ))
   (( segid "PAH3" and resid 479  and name HN  ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.79731E-02 ppm1      8.613 ppm2      1.948 CV     1
 ASSI {  181}
   (  segid "PAH3" and resid 478  and name HB% )
   (( segid "PAH3" and resid 479  and name HN  ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.79012E-02 ppm1      8.613 ppm2      1.509 CV     1
 ASSI {  182}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 479  and name HN  ))
      4.200     2.200     1.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      8.609 ppm2      1.649 CV     1
 ASSI {  184}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "PAH3" and resid 480  and name HN  ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.58685E-02 ppm1      7.894 ppm2      4.487 CV     1
 ASSI {  185}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "PAH3" and resid 480  and name HN  ))
      3.000     1.200     1.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.24494E-02 ppm1      7.894 ppm2      4.229 CV     1
 ASSI {  186}
   (( segid "PAH3" and resid 479  and name HA  ))
   (( segid "PAH3" and resid 480  and name HN  ))
      3.300     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.28588E-02 ppm1      7.893 ppm2      4.084 CV     1
 ASSI {  187}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (( segid "PAH3" and resid 480  and name HN  ))
      3.400     1.400     1.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.37423E-02 ppm1      7.893 ppm2      3.775 CV     1
 ASSI {  188}
   (( segid "PAH3" and resid 479  and name HG2 ))
   (( segid "PAH3" and resid 480  and name HN  ))
      3.600     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.28373E-02 ppm1      7.893 ppm2      2.345 CV     1
 OR {  188}
   (( segid "PAH3" and resid 479  and name HG1 ))
   (( segid "PAH3" and resid 480  and name HN  ))
 ASSI {  189}
   (( segid "PAH3" and resid 479  and name HB1 ))
   (( segid "PAH3" and resid 480  and name HN  ))
      2.900     1.100     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.44534E-02 ppm1      7.893 ppm2      2.111 CV     1
 ASSI {  190}
   (( segid "PAH3" and resid 479  and name HB2 ))
   (( segid "PAH3" and resid 480  and name HN  ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.51861E-02 ppm1      7.894 ppm2      1.955 CV     1
 ASSI {  191}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 480  and name HN  ))
      2.100     0.600     0.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.20328E-01 ppm1      7.896 ppm2      1.661 CV     1
 ASSI {  192}
   (( segid "PAH3" and resid 500  and name HN  ))
   (( segid "PAH3" and resid 501  and name HN  ))
      2.500     0.800     0.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.88350E-02 ppm1      8.591 ppm2      7.830 CV     1
 OR {  192}
   (( segid "PAH3" and resid 502  and name HN  ))
   (( segid "PAH3" and resid 501  and name HN  ))
 ASSI {  193}
   (( segid "PAH3" and resid 501  and name HN  ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.300     0.700     0.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.11996E-01 ppm1      7.833 ppm2      8.563 CV     1
 ASSI {  194}
   (( segid "PAH3" and resid 494  and name HN  ))
   (( segid "PAH3" and resid 495  and name HN  ))
      2.500     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.94815E-02 ppm1      7.819 ppm2      8.046 CV     1
 ASSI {  195}
   (( segid "PAH3" and resid 503  and name HN  ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.71255E-02 ppm1      7.835 ppm2      7.545 CV     1
 ASSI {  196}
   (( segid "PAH3" and resid 496  and name HN  ))
   (( segid "PAH3" and resid 495  and name HN  ))
      2.500     0.800     0.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.81167E-02 ppm1      7.818 ppm2      6.534 CV     1
 ASSI {  197}
   (( segid "PAH3" and resid 481  and name HA  ))
   (( segid "PAH3" and resid 481  and name HN  ))
      2.600     0.800     0.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.89787E-02 ppm1      7.837 ppm2      4.127 CV     1
 OR {  197}
   (( segid "PAH3" and resid 490  and name HA  ))
   (( segid "PAH3" and resid 495  and name HN  ))
 ASSI {  198}
   (( segid "PAH3" and resid 478  and name HA  ))
   (( segid "PAH3" and resid 481  and name HN  ))
      3.000     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.50424E-02 ppm1      7.837 ppm2      4.231 CV     1
 OR {  198}
   (( segid "PAH3" and resid 477  and name HB1 ))
   (( segid "PAH3" and resid 481  and name HN  ))
 OR {  198}
   (( segid "PAH3" and resid 493  and name HA  ))
   (( segid "PAH3" and resid 495  and name HN  ))
 ASSI {  199}
   (( segid "PAH3" and resid 501  and name HA  ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.62779E-02 ppm1      7.835 ppm2      4.013 CV     1
 OR {  199}
   (( segid "PAH3" and resid 499  and name HA  ))
   (( segid "PAH3" and resid 502  and name HN  ))
 OR {  199}
   (( segid "PAH3" and resid 498  and name HA  ))
   (( segid "PAH3" and resid 502  and name HN  ))
 ASSI {  200}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "PAH3" and resid 495  and name HN  ))
      2.800     1.000     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      7.816 ppm2      3.882 CV     1
 ASSI {  201}
   (( segid "PAH3" and resid 495  and name HA  ))
   (( segid "PAH3" and resid 495  and name HN  ))
      2.800     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.49634E-02 ppm1      7.815 ppm2      3.475 CV     1
 ASSI {  202}
   (( segid "PAH3" and resid 502  and name HA  ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.51645E-02 ppm1      7.834 ppm2      3.586 CV     1
 ASSI {  203}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.69244E-02 ppm1      7.831 ppm2      2.245 CV     1
 OR {  203}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 495  and name HN  ))
 ASSI {  204}
   (( segid "PAH3" and resid 502  and name HB  ))
   (( segid "PAH3" and resid 502  and name HN  ))
      2.100     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.24063E-01 ppm1      7.826 ppm2      1.917 CV     1
 OR {  204}
   (( segid "PAH3" and resid 495  and name HB  ))
   (( segid "PAH3" and resid 495  and name HN  ))
 ASSI {  205}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 481  and name HN  ))
      2.300     0.700     0.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.11062E-01 ppm1      7.837 ppm2      1.661 CV     1
 ASSI {  206}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 495  and name HN  ))
      2.900     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.59834E-02 ppm1      7.836 ppm2      1.509 CV     1
 OR {  206}
   (( segid "PAH3" and resid 475  and name HB2 ))
   (( segid "PAH3" and resid 481  and name HN  ))
 ASSI {  207}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 502  and name HN  ))
      2.900     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.17526E-01 ppm1      7.835 ppm2      0.716 CV     1
 ASSI {  208}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 495  and name HN  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.10487E-01 ppm1      7.814 ppm2      0.279 CV     1
 ASSI {  209}
   (( segid "PAH3" and resid 483  and name HN  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      2.300     0.700     0.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13145E-01 ppm1      8.524 ppm2      7.853 CV     1
 OR {  209}
   (( segid "PAH3" and resid 481  and name HN  ))
   (( segid "PAH3" and resid 482  and name HN  ))
 ASSI {  210}
   (( segid "PAH3" and resid 478  and name HA  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      3.400     1.400     1.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.21118E-02 ppm1      8.525 ppm2      4.199 CV     1
 ASSI {  211}
   (( segid "PAH3" and resid 479  and name HA  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.38213E-02 ppm1      8.518 ppm2      4.072 CV     1
 ASSI {  212}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.50927E-02 ppm1      8.522 ppm2      3.640 CV     1
 ASSI {  213}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (( segid "PAH3" and resid 482  and name HN  ))
      3.300     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.57248E-02 ppm1      8.522 ppm2      2.470 CV     1
 ASSI {  214}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (( segid "PAH3" and resid 482  and name HN  ))
      2.500     0.800     0.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11205E-01 ppm1      8.521 ppm2      2.144 CV     1
 ASSI {  215}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 482  and name HN  ))
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.71686E-02 ppm1      8.521 ppm2      1.926 CV     1
 ASSI {  217}
   (( segid "PAH3" and resid 485  and name HN  ))
   (( segid "PAH3" and resid 483  and name HN  ))
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.16233E-02 ppm1      7.849 ppm2      8.169 CV     1
 OR {  217}
   (( segid "PAH3" and resid 486  and name HN  ))
   (( segid "PAH3" and resid 483  and name HN  ))
 ASSI {  218}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 483  and name HN  ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.66370E-02 ppm1      7.848 ppm2      4.498 CV     1
 OR {  218}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "PAH3" and resid 483  and name HN  ))
 ASSI {  219}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 483  and name HN  ))
      3.400     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.24709E-02 ppm1      7.849 ppm2      3.652 CV     1
 OR {  219}
   (( segid "PAH3" and resid 484  and name HA  ))
   (( segid "PAH3" and resid 483  and name HN  ))
 ASSI {  220}
   (( segid "PAH3" and resid 482  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HN  ))
      2.700     2.700     3.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.48700E-02 ppm1      7.847 ppm2      2.179 CV     1
 ASSI {  221}
   (( segid "PAH3" and resid 485  and name HN  ))
   (( segid "PAH3" and resid 484  and name HN  ))
      2.500     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.70249E-02 ppm1      7.824 ppm2      8.181 CV     1
 ASSI {  222}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 484  and name HN  ))
      3.500     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.17095E-02 ppm1      7.820 ppm2      4.508 CV     1
 OR {  222}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 486  and name HH11))
 ASSI {  223}
   (( segid "PAH3" and resid 481  and name HA  ))
   (( segid "PAH3" and resid 484  and name HN  ))
      3.000     1.100     1.100 peak   223 spectrum    1 weight  0.10000E+01 volume  0.36202E-02 ppm1      7.821 ppm2      4.130 CV     1
 ASSI {  224}
   (( segid "PAH3" and resid 484  and name HA  ))
   (( segid "PAH3" and resid 484  and name HN  ))
      2.800     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.56530E-02 ppm1      7.825 ppm2      3.646 CV     1
 ASSI {  225}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (( segid "PAH3" and resid 486  and name HH11))
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.18676E-02 ppm1      7.823 ppm2      2.752 CV     1
 OR {  225}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (( segid "PAH3" and resid 486  and name HH11))
 ASSI {  226}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 484  and name HN  ))
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.66801E-02 ppm1      7.825 ppm2      3.082 CV     1
 ASSI {  227}
   (( segid "PAH3" and resid 484  and name HB1 ))
   (( segid "PAH3" and resid 484  and name HN  ))
      2.300     0.700     0.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.10918E-01 ppm1      7.824 ppm2      3.193 CV     1
 ASSI {  228}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (( segid "PAH3" and resid 484  and name HN  ))
      2.600     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.96970E-02 ppm1      7.822 ppm2      2.238 CV     1
 ASSI {  230}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 485  and name HN  ))
      3.800     1.900     1.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      8.184 ppm2      6.828 CV     1
 ASSI {  231}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 485  and name HN  ))
      4.000     2.000     2.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      8.182 ppm2      6.946 CV     1
 OR {  231}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 485  and name HN  ))
 OR {  231}
   (( segid "PAH3" and resid 488  and name HN  ))
   (( segid "PAH3" and resid 485  and name HN  ))
 ASSI {  232}
   (( segid "PAH3" and resid 484  and name HA  ))
   (( segid "PAH3" and resid 485  and name HN  ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.36058E-02 ppm1      8.186 ppm2      3.630 CV     1
 OR {  232}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 485  and name HN  ))
 ASSI {  233}
   (( segid "PAH3" and resid 485  and name HA  ))
   (( segid "PAH3" and resid 485  and name HN  ))
      2.700     0.900     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.37136E-02 ppm1      8.187 ppm2      3.448 CV     1
 ASSI {  234}
   (( segid "PAH3" and resid 484  and name HB1 ))
   (( segid "PAH3" and resid 485  and name HN  ))
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.46114E-02 ppm1      8.184 ppm2      3.182 CV     1
 ASSI {  235}
   (( segid "PAH3" and resid 484  and name HB2 ))
   (( segid "PAH3" and resid 485  and name HN  ))
      3.900     1.900     1.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.30384E-02 ppm1      8.183 ppm2      2.228 CV     1
 ASSI {  236}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (( segid "PAH3" and resid 485  and name HN  ))
      3.100     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.57463E-02 ppm1      8.186 ppm2      1.962 CV     1
 ASSI {  237}
   (( segid "PAH3" and resid 485  and name HG  ))
   (( segid "PAH3" and resid 485  and name HN  ))
      2.300     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.91942E-02 ppm1      8.185 ppm2      1.203 CV     1
 ASSI {  238}
   (( segid "PAH3" and resid 485  and name HB2 ))
   (( segid "PAH3" and resid 485  and name HN  ))
      2.600     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.45899E-02 ppm1      8.184 ppm2      0.949 CV     1
 ASSI {  239}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "PAH3" and resid 485  and name HN  ))
      3.500     1.500     1.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.60696E-02 ppm1      8.186 ppm2      0.507 CV     1
 ASSI {  240}
   (( segid "PAH3" and resid 527  and name HB1 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.700     1.700     1.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      8.170 ppm2      2.041 CV     1
 ASSI {  241}
   (( segid "PAH3" and resid 527  and name HG2 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.700     1.700     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.19609E-02 ppm1      8.167 ppm2      2.232 CV     1
 OR {  241}
   (( segid "PAH3" and resid 527  and name HG1 ))
   (( segid "PAH3" and resid 527  and name HN  ))
 ASSI {  242}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 485  and name HN  ))
      4.700     2.800     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.65077E-03 ppm1      8.189 ppm2      0.229 CV     1
 OR {  242}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 485  and name HN  ))
 ASSI {  245}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 486  and name HN  ))
      3.300     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.23416E-02 ppm1      8.139 ppm2      4.509 CV     1
 ASSI {  246}
   (( segid "PAH3" and resid 484  and name HA  ))
   (( segid "PAH3" and resid 486  and name HN  ))
      3.400     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      8.137 ppm2      3.648 CV     1
 OR {  246}
   (( segid "PAH3" and resid 482  and name HA  ))
   (( segid "PAH3" and resid 486  and name HN  ))
 ASSI {  247}
   (( segid "PAH3" and resid 485  and name HB1 ))
   (( segid "PAH3" and resid 486  and name HN  ))
      3.300     1.400     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.37782E-02 ppm1      8.139 ppm2      1.965 CV     1
 ASSI {  248}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (( segid "PAH3" and resid 486  and name HN  ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.11277E-01 ppm1      8.138 ppm2      1.765 CV     1
 ASSI {  249}
   (( segid "PAH3" and resid 527  and name HA  ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.100     1.200     1.200 peak   249 spectrum    1 weight  0.10000E+01 volume  0.29163E-02 ppm1      8.166 ppm2      4.112 CV     1
 ASSI {  250}
   (( segid "PAH3" and resid 486  and name HN  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44247E-02 ppm1      7.365 ppm2      8.150 CV     1
 ASSI {  251}
   (( segid "PAH3" and resid 488  and name HN  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      2.600     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.61127E-02 ppm1      7.363 ppm2      6.949 CV     1
 ASSI {  252}
   (( segid "PAH3" and resid 487  and name HA  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      3.000     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.31389E-02 ppm1      7.365 ppm2      4.098 CV     1
 ASSI {  253}
   (( segid "PAH3" and resid 487  and name HG  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      2.400     0.700     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      7.363 ppm2      3.117 CV     1
 ASSI {  254}
   (( segid "PAH3" and resid 484  and name HA  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      3.300     1.400     1.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.18460E-02 ppm1      7.364 ppm2      3.634 CV     1
 ASSI {  255}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 487  and name HN  ))
      3.400     1.400     1.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.18460E-02 ppm1      7.365 ppm2      3.508 CV     1
 ASSI {  256}
   (( segid "PAH3" and resid 486  and name HB1 ))
   (( segid "PAH3" and resid 487  and name HN  ))
      2.700     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      7.361 ppm2      1.764 CV     1
 ASSI {  257}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 487  and name HN  ))
      2.500     2.500     3.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.45253E-02 ppm1      7.363 ppm2      1.064 CV     1
 OR {  257}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 487  and name HN  ))
 ASSI {  258}
   (( segid "PAH3" and resid 489  and name HN  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      2.600     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.51358E-02 ppm1      6.950 ppm2      8.263 CV     1
 ASSI {  260}
   (( segid "PAH3" and resid 488  and name HA  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      2.900     1.000     1.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.34263E-02 ppm1      6.946 ppm2      3.838 CV     1
 ASSI {  261}
   (( segid "PAH3" and resid 487  and name HA  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      4.000     2.000     2.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.68310E-03 ppm1      6.951 ppm2      4.108 CV     1
 ASSI {  262}
   (( segid "PAH3" and resid 487  and name HB1 ))
   (( segid "PAH3" and resid 488  and name HN  ))
      3.700     1.700     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.24925E-02 ppm1      6.942 ppm2      3.292 CV     1
 ASSI {  263}
   (( segid "PAH3" and resid 485  and name HA  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      2.900     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.37782E-02 ppm1      6.945 ppm2      3.461 CV     1
 OR {  263}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 488  and name HN  ))
 ASSI {  264}
   (( segid "PAH3" and resid 487  and name HG  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      3.900     1.900     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      6.942 ppm2      3.106 CV     1
 OR {  264}
   (( segid "PAH3" and resid 491  and name HB2 ))
   (( segid "PAH3" and resid 488  and name HN  ))
 ASSI {  265}
   (( segid "PAH3" and resid 487  and name HB2 ))
   (( segid "PAH3" and resid 488  and name HN  ))
      3.400     1.400     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.11062E-02 ppm1      6.944 ppm2      2.217 CV     1
 ASSI {  266}
   (( segid "PAH3" and resid 488  and name HG  ))
   (( segid "PAH3" and resid 488  and name HN  ))
      2.300     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      6.949 ppm2      1.124 CV     1
 ASSI {  267}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 488  and name HN  ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.30815E-02 ppm1      6.951 ppm2      0.227 CV     1
 ASSI {  268}
   (  segid "PAH3" and resid 488  and name HD2%)
   (( segid "PAH3" and resid 488  and name HN  ))
      3.700     1.700     1.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.24422E-02 ppm1      6.944 ppm2      0.043 CV     1
 ASSI {  269}
   (  segid "PAH3" and resid 485  and name HD1%)
   (( segid "PAH3" and resid 488  and name HN  ))
      3.900     1.900     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      6.951 ppm2      0.528 CV     1
 OR {  269}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 488  and name HN  ))
 ASSI {  271}
   (( segid "PAH3" and resid 488  and name HN  ))
   (( segid "PAH3" and resid 489  and name HN  ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.45109E-02 ppm1      8.264 ppm2      6.946 CV     1
 ASSI {  272}
   (( segid "PAH3" and resid 489  and name HA  ))
   (( segid "PAH3" and resid 489  and name HN  ))
      2.800     1.000     1.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.52076E-02 ppm1      8.265 ppm2      3.809 CV     1
 ASSI {  273}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 489  and name HN  ))
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.37926E-02 ppm1      8.266 ppm2      3.477 CV     1
 ASSI {  274}
   (( segid "PAH3" and resid 489  and name HB  ))
   (( segid "PAH3" and resid 489  and name HN  ))
      2.800     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.64862E-02 ppm1      8.266 ppm2      2.426 CV     1
 ASSI {  275}
   (( segid "PAH3" and resid 488  and name HB1 ))
   (( segid "PAH3" and resid 489  and name HN  ))
      3.500     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30599E-02 ppm1      8.264 ppm2      1.819 CV     1
 ASSI {  276}
   (  segid "PAH3" and resid 490  and name HG2%)
   (( segid "PAH3" and resid 489  and name HN  ))
      4.400     2.500     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.95533E-03 ppm1      8.264 ppm2      1.341 CV     1
 ASSI {  277}
   (  segid "PAH3" and resid 489  and name HG1%)
   (( segid "PAH3" and resid 489  and name HN  ))
      2.600     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.15084E-01 ppm1      8.264 ppm2      1.123 CV     1
 OR {  277}
   (( segid "PAH3" and resid 488  and name HG  ))
   (( segid "PAH3" and resid 489  and name HN  ))
 ASSI {  278}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 527  and name HN  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.10703E-01 ppm1      8.169 ppm2      4.226 CV     1
 ASSI {  279}
   (  segid "PAH3" and resid 488  and name HD1%)
   (( segid "PAH3" and resid 489  and name HN  ))
      5.300     3.600     0.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.45612E-03 ppm1      8.265 ppm2      0.218 CV     1
 ASSI {  280}
   (( segid "PAH3" and resid 489  and name HN  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.42092E-02 ppm1      7.635 ppm2      8.266 CV     1
 ASSI {  281}
   (( segid "PAH3" and resid 491  and name HN  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.600     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.52795E-02 ppm1      7.631 ppm2      7.801 CV     1
 ASSI {  282}
   (( segid "PAH3" and resid 490  and name HA  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.49993E-02 ppm1      7.635 ppm2      4.095 CV     1
 OR {  282}
   (( segid "PAH3" and resid 487  and name HA  ))
   (( segid "PAH3" and resid 490  and name HN  ))
 ASSI {  283}
   (( segid "PAH3" and resid 489  and name HB  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.44678E-02 ppm1      7.635 ppm2      2.434 CV     1
 ASSI {  284}
   (( segid "PAH3" and resid 490  and name HG11))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.900     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10056E-01 ppm1      7.633 ppm2      2.047 CV     1
 OR {  284}
   (( segid "PAH3" and resid 490  and name HB  ))
   (( segid "PAH3" and resid 490  and name HN  ))
 ASSI {  285}
   (( segid "PAH3" and resid 490  and name HG12))
   (( segid "PAH3" and resid 490  and name HN  ))
      2.400     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.50640E-02 ppm1      7.634 ppm2      1.703 CV     1
 ASSI {  286}
   (  segid "PAH3" and resid 490  and name HG2%)
   (( segid "PAH3" and resid 490  and name HN  ))
      2.600     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.58325E-02 ppm1      7.635 ppm2      1.342 CV     1
 ASSI {  287}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 490  and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.89068E-02 ppm1      7.632 ppm2      1.048 CV     1
 OR {  287}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 490  and name HN  ))
 ASSI {  288}
   (( segid "PAH3" and resid 492  and name HN  ))
   (( segid "PAH3" and resid 491  and name HN  ))
      2.700     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.50640E-02 ppm1      7.797 ppm2      9.686 CV     1
 ASSI {  290}
   (( segid "PAH3" and resid 491  and name HA  ))
   (( segid "PAH3" and resid 491  and name HN  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.30815E-02 ppm1      7.802 ppm2      4.445 CV     1
 ASSI {  292}
   (( segid "PAH3" and resid 488  and name HA  ))
   (( segid "PAH3" and resid 491  and name HN  ))
      3.200     1.300     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.27223E-02 ppm1      7.795 ppm2      3.834 CV     1
 ASSI {  293}
   (( segid "PAH3" and resid 491  and name HB1 ))
   (( segid "PAH3" and resid 491  and name HN  ))
      2.400     0.700     0.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      7.797 ppm2      3.510 CV     1
 ASSI {  294}
   (( segid "PAH3" and resid 491  and name HB2 ))
   (( segid "PAH3" and resid 491  and name HN  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.47264E-02 ppm1      7.797 ppm2      3.108 CV     1
 ASSI {  296}
   (( segid "PAH3" and resid 490  and name HG11))
   (( segid "PAH3" and resid 491  and name HN  ))
      2.600     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.37567E-02 ppm1      7.796 ppm2      2.047 CV     1
 ASSI {  297}
   (( segid "PAH3" and resid 490  and name HG12))
   (( segid "PAH3" and resid 491  and name HN  ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.35987E-02 ppm1      7.799 ppm2      1.696 CV     1
 ASSI {  298}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 491  and name HN  ))
      3.400     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.35771E-02 ppm1      7.797 ppm2      0.965 CV     1
 ASSI {  299}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 491  and name HN  ))
      4.200     2.200     1.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.19035E-02 ppm1      7.794 ppm2      1.079 CV     1
 ASSI {  300}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 491  and name HN  ))
      3.600     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.17670E-02 ppm1      7.794 ppm2      0.813 CV     1
 OR {  300}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 491  and name HN  ))
 ASSI {  301}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 491  and name HN  ))
      4.400     2.400     1.600 peak   301 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      7.797 ppm2      7.468 CV     1
 ASSI {  302}
   (( segid "PAH3" and resid 491  and name HN  ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.600     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.57894E-02 ppm1      9.681 ppm2      7.810 CV     1
 ASSI {  303}
   (( segid "PAH3" and resid 493  and name HN  ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.700     0.900     0.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.52148E-02 ppm1      9.683 ppm2      7.643 CV     1
 ASSI {  304}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 492  and name HN  ))
      4.100     2.100     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.75421E-03 ppm1      9.682 ppm2      7.478 CV     1
 ASSI {  305}
   (( segid "PAH3" and resid 492  and name HA  ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.800     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.56171E-02 ppm1      9.681 ppm2      4.378 CV     1
 ASSI {  306}
   (( segid "PAH3" and resid 488  and name HA  ))
   (( segid "PAH3" and resid 492  and name HN  ))
      3.400     1.400     1.400 peak   306 spectrum    1 weight  0.10000E+01 volume  0.26218E-02 ppm1      9.682 ppm2      3.813 CV     1
 ASSI {  307}
   (( segid "PAH3" and resid 492  and name HB1 ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.800     1.000     1.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.50927E-02 ppm1      9.684 ppm2      3.415 CV     1
 ASSI {  308}
   (( segid "PAH3" and resid 491  and name HB1 ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.44462E-02 ppm1      9.683 ppm2      3.518 CV     1
 ASSI {  309}
   (( segid "PAH3" and resid 492  and name HB2 ))
   (( segid "PAH3" and resid 492  and name HN  ))
      2.900     1.100     1.100 peak   309 spectrum    1 weight  0.10000E+01 volume  0.36705E-02 ppm1      9.679 ppm2      2.973 CV     1
 ASSI {  310}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 492  and name HN  ))
      4.700     2.800     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.99843E-03 ppm1      9.682 ppm2      1.063 CV     1
 ASSI {  312}
   (( segid "PAH3" and resid 494  and name HN  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.49059E-02 ppm1      7.659 ppm2      8.034 CV     1
 ASSI {  313}
   (( segid "PAH3" and resid 495  and name HN  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.100     1.200     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.35987E-02 ppm1      7.658 ppm2      7.811 CV     1
 OR {  313}
   (( segid "PAH3" and resid 491  and name HN  ))
   (( segid "PAH3" and resid 493  and name HN  ))
 ASSI {  314}
   (( segid "PAH3" and resid 492  and name HA  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      7.655 ppm2      4.367 CV     1
 ASSI {  315}
   (( segid "PAH3" and resid 493  and name HA  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      2.900     1.100     1.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      7.658 ppm2      4.217 CV     1
 ASSI {  316}
   (( segid "PAH3" and resid 490  and name HA  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.200     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.26146E-02 ppm1      7.656 ppm2      4.099 CV     1
 ASSI {  317}
   (( segid "PAH3" and resid 492  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      7.659 ppm2      3.410 CV     1
 ASSI {  318}
   (( segid "PAH3" and resid 492  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.700     1.700     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      7.653 ppm2      2.966 CV     1
 ASSI {  319}
   (( segid "PAH3" and resid 493  and name HG1 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      2.800     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.43600E-02 ppm1      7.658 ppm2      2.605 CV     1
 ASSI {  320}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.37710E-02 ppm1      7.658 ppm2      2.498 CV     1
 ASSI {  321}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.600     1.600     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.45468E-02 ppm1      7.657 ppm2      2.237 CV     1
 ASSI {  322}
   (( segid "PAH3" and resid 495  and name HB  ))
   (( segid "PAH3" and resid 493  and name HN  ))
      3.600     1.600     1.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.14150E-02 ppm1      7.661 ppm2      1.972 CV     1
 ASSI {  323}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HN  ))
      2.400     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.71542E-02 ppm1      7.657 ppm2      1.508 CV     1
 ASSI {  324}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 493  and name HN  ))
      4.200     2.200     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.91942E-03 ppm1      7.659 ppm2      1.020 CV     1
 OR {  324}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "PAH3" and resid 493  and name HN  ))
 ASSI {  326}
   (( segid "PAH3" and resid 493  and name HN  ))
   (( segid "PAH3" and resid 494  and name HN  ))
      2.800     1.000     1.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.44606E-02 ppm1      8.037 ppm2      7.652 CV     1
 ASSI {  327}
   (( segid "PAH3" and resid 491  and name HA  ))
   (( segid "PAH3" and resid 494  and name HN  ))
      3.400     1.400     1.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.16664E-02 ppm1      8.036 ppm2      4.414 CV     1
 ASSI {  328}
   (( segid "PAH3" and resid 493  and name HA  ))
   (( segid "PAH3" and resid 494  and name HN  ))
      3.200     1.300     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.23345E-02 ppm1      8.033 ppm2      4.195 CV     1
 ASSI {  329}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "PAH3" and resid 494  and name HN  ))
      2.300     0.700     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.15156E-01 ppm1      8.035 ppm2      3.900 CV     1
 ASSI {  330}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 494  and name HN  ))
      3.200     3.200     2.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      8.034 ppm2      2.506 CV     1
 ASSI {  331}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 494  and name HN  ))
      4.200     2.200     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.98406E-03 ppm1      8.034 ppm2      2.242 CV     1
 ASSI {  332}
   (( segid "PAH3" and resid 494  and name HB1 ))
   (( segid "PAH3" and resid 494  and name HN  ))
      3.300     1.400     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.036 ppm2      2.109 CV     1
 OR {  332}
   (( segid "PAH3" and resid 494  and name HB2 ))
   (( segid "PAH3" and resid 494  and name HN  ))
 ASSI {  333}
   (( segid "PAH3" and resid 494  and name HG2 ))
   (( segid "PAH3" and resid 494  and name HN  ))
      2.800     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.89068E-02 ppm1      8.035 ppm2      1.956 CV     1
 OR {  333}
   (( segid "PAH3" and resid 494  and name HG1 ))
   (( segid "PAH3" and resid 494  and name HN  ))
 ASSI {  334}
   (( segid "PAH3" and resid 495  and name HN  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.78294E-02 ppm1      6.536 ppm2      7.821 CV     1
 ASSI {  335}
   (( segid "PAH3" and resid 496  and name HA  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      3.000     1.100     1.100 peak   335 spectrum    1 weight  0.10000E+01 volume  0.28085E-02 ppm1      6.535 ppm2      5.074 CV     1
 ASSI {  336}
   (( segid "PAH3" and resid 491  and name HA  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      3.000     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.26936E-02 ppm1      6.532 ppm2      4.461 CV     1
 ASSI {  337}
   (( segid "PAH3" and resid 495  and name HA  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      3.300     1.400     1.400 peak   337 spectrum    1 weight  0.10000E+01 volume  0.23560E-02 ppm1      6.534 ppm2      3.480 CV     1
 ASSI {  338}
   (( segid "PAH3" and resid 495  and name HB  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.39722E-02 ppm1      6.536 ppm2      1.932 CV     1
 ASSI {  339}
   (( segid "PAH3" and resid 496  and name HG11))
   (( segid "PAH3" and resid 496  and name HN  ))
      3.000     1.100     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.43026E-02 ppm1      6.536 ppm2      1.777 CV     1
 ASSI {  340}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 496  and name HN  ))
      4.300     2.300     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.13073E-02 ppm1      6.534 ppm2      1.087 CV     1
 ASSI {  341}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 496  and name HN  ))
      3.300     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.48700E-02 ppm1      6.536 ppm2      0.950 CV     1
 OR {  341}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 496  and name HN  ))
 ASSI {  342}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 496  and name HN  ))
      2.200     0.600     0.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.99125E-02 ppm1      6.536 ppm2      0.798 CV     1
 OR {  342}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 496  and name HN  ))
 ASSI {  343}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 496  and name HN  ))
      4.000     2.000     2.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18963E-02 ppm1      6.538 ppm2      0.297 CV     1
 ASSI {  344}
   (( segid "PAH3" and resid 496  and name HA  ))
   (( segid "PAH3" and resid 497  and name HN  ))
      2.600     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.62563E-02 ppm1      9.672 ppm2      5.078 CV     1
 ASSI {  345}
   (( segid "PAH3" and resid 497  and name HA  ))
   (( segid "PAH3" and resid 497  and name HN  ))
      3.500     1.500     1.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      9.668 ppm2      4.823 CV     1
 ASSI {  346}
   (( segid "PAH3" and resid 497  and name HB2 ))
   (( segid "PAH3" and resid 497  and name HN  ))
      3.000     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      9.674 ppm2      4.075 CV     1
 ASSI {  347}
   (( segid "PAH3" and resid 500  and name HB1 ))
   (( segid "PAH3" and resid 497  and name HN  ))
      3.600     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.46474E-02 ppm1      9.672 ppm2      2.555 CV     1
 ASSI {  348}
   (( segid "PAH3" and resid 496  and name HB  ))
   (( segid "PAH3" and resid 497  and name HN  ))
      2.600     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.59475E-02 ppm1      9.671 ppm2      2.278 CV     1
 OR {  348}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (( segid "PAH3" and resid 497  and name HN  ))
 ASSI {  350}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 497  and name HN  ))
      4.600     2.700     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.94096E-03 ppm1      9.668 ppm2      0.940 CV     1
 ASSI {  352}
   (( segid "PAH3" and resid 497  and name HA  ))
   (( segid "PAH3" and resid 498  and name HN  ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.48916E-02 ppm1      9.145 ppm2      4.814 CV     1
 ASSI {  353}
   (( segid "PAH3" and resid 497  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      2.900     1.100     1.100 peak   353 spectrum    1 weight  0.10000E+01 volume  0.45540E-02 ppm1      9.145 ppm2      4.042 CV     1
 OR {  353}
   (( segid "PAH3" and resid 498  and name HA  ))
   (( segid "PAH3" and resid 498  and name HN  ))
 ASSI {  354}
   (( segid "PAH3" and resid 497  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.39506E-02 ppm1      9.141 ppm2      4.561 CV     1
 ASSI {  355}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      3.000     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.29378E-02 ppm1      9.144 ppm2      1.834 CV     1
 ASSI {  356}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.20543E-02 ppm1      9.143 ppm2      1.728 CV     1
 ASSI {  357}
   (( segid "PAH3" and resid 498  and name HN  ))
   (( segid "PAH3" and resid 499  and name HN  ))
      2.900     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.43816E-02 ppm1      8.336 ppm2      9.154 CV     1
 ASSI {  358}
   (( segid "PAH3" and resid 500  and name HN  ))
   (( segid "PAH3" and resid 499  and name HN  ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.61414E-02 ppm1      8.338 ppm2      7.824 CV     1
 ASSI {  359}
   (( segid "PAH3" and resid 497  and name HA  ))
   (( segid "PAH3" and resid 499  and name HN  ))
      4.400     2.400     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      8.336 ppm2      4.815 CV     1
 ASSI {  360}
   (( segid "PAH3" and resid 499  and name HA  ))
   (( segid "PAH3" and resid 499  and name HN  ))
      2.600     0.800     0.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.92660E-02 ppm1      8.338 ppm2      4.011 CV     1
 OR {  360}
   (( segid "PAH3" and resid 498  and name HA  ))
   (( segid "PAH3" and resid 499  and name HN  ))
 ASSI {  361}
   (( segid "PAH3" and resid 497  and name HB1 ))
   (( segid "PAH3" and resid 499  and name HN  ))
      3.600     1.600     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      8.335 ppm2      4.572 CV     1
 ASSI {  362}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 499  and name HN  ))
      4.000     2.000     2.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      8.334 ppm2      2.275 CV     1
 OR {  362}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (( segid "PAH3" and resid 499  and name HN  ))
 ASSI {  363}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "PAH3" and resid 499  and name HN  ))
      2.500     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.51286E-02 ppm1      8.337 ppm2      2.112 CV     1
 ASSI {  364}
   (( segid "PAH3" and resid 498  and name HB2 ))
   (( segid "PAH3" and resid 499  and name HN  ))
      3.800     1.800     1.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.42092E-02 ppm1      8.337 ppm2      1.819 CV     1
 ASSI {  365}
   (  segid "PAH3" and resid 499  and name HB% )
   (( segid "PAH3" and resid 499  and name HN  ))
      2.300     0.700     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17239E-01 ppm1      8.336 ppm2      1.575 CV     1
 ASSI {  366}
   (( segid "PAH3" and resid 497  and name HN  ))
   (( segid "PAH3" and resid 500  and name HN  ))
      4.200     2.200     1.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.81885E-03 ppm1      7.826 ppm2      9.676 CV     1
 ASSI {  367}
   (( segid "PAH3" and resid 501  and name HN  ))
   (( segid "PAH3" and resid 500  and name HN  ))
      2.700     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.50712E-02 ppm1      7.830 ppm2      8.581 CV     1
 ASSI {  369}
   (  segid "PAH3" and resid 499  and name HB% )
   (( segid "PAH3" and resid 500  and name HN  ))
      2.700     0.900     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.63784E-02 ppm1      7.827 ppm2      1.570 CV     1
 ASSI {  371}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (( segid "PAH3" and resid 500  and name HN  ))
      3.100     1.200     1.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.69746E-02 ppm1      7.828 ppm2      2.465 CV     1
 ASSI {  372}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (( segid "PAH3" and resid 500  and name HN  ))
      3.400     1.400     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.39003E-02 ppm1      7.826 ppm2      2.219 CV     1
 OR {  372}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 500  and name HN  ))
 ASSI {  373}
   (( segid "PAH3" and resid 528  and name HN  ))
   (( segid "PAH3" and resid 527  and name HN  ))
      3.400     1.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      8.173 ppm2      7.833 CV     1
 ASSI {  374}
   (( segid "PAH3" and resid 501  and name HB1 ))
   (( segid "PAH3" and resid 501  and name HN  ))
      2.400     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.91942E-02 ppm1      8.593 ppm2      2.257 CV     1
 ASSI {  376}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 501  and name HN  ))
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.27942E-02 ppm1      8.593 ppm2      1.744 CV     1
 OR {  376}
   (( segid "PAH3" and resid 496  and name HG11))
   (( segid "PAH3" and resid 501  and name HN  ))
 ASSI {  377}
   (( segid "PAH3" and resid 501  and name HG  ))
   (( segid "PAH3" and resid 501  and name HN  ))
      3.800     1.800     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.27439E-02 ppm1      8.589 ppm2      1.576 CV     1
 OR {  377}
   (  segid "PAH3" and resid 499  and name HB% )
   (( segid "PAH3" and resid 501  and name HN  ))
 ASSI {  378}
   (( segid "PAH3" and resid 501  and name HB2 ))
   (( segid "PAH3" and resid 501  and name HN  ))
      2.800     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.46545E-02 ppm1      8.589 ppm2      1.431 CV     1
 ASSI {  379}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 501  and name HN  ))
      4.300     2.300     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.19322E-02 ppm1      8.587 ppm2      0.543 CV     1
 ASSI {  380}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 501  and name HN  ))
      3.800     1.800     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.33903E-02 ppm1      8.589 ppm2      0.894 CV     1
 ASSI {  381}
   (  segid "PAH3" and resid 496  and name HD1%)
   (( segid "PAH3" and resid 501  and name HN  ))
      3.200     1.300     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.25571E-02 ppm1      8.589 ppm2      0.979 CV     1
 ASSI {  382}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 502  and name HN  ))
      2.500     2.500     3.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.65077E-02 ppm1      7.837 ppm2      0.615 CV     1
 ASSI {  383}
   (  segid "PAH3" and resid 523  and name HD2%)
   (( segid "PAH3" and resid 502  and name HN  ))
      2.700     2.700     3.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28732E-02 ppm1      7.828 ppm2      0.366 CV     1
 ASSI {  384}
   (( segid "PAH3" and resid 504  and name HN  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.600     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.58972E-02 ppm1      7.548 ppm2      8.770 CV     1
 ASSI {  385}
   (( segid "PAH3" and resid 501  and name HN  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      4.100     2.100     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.70680E-03 ppm1      7.549 ppm2      8.603 CV     1
 ASSI {  386}
   (( segid "PAH3" and resid 502  and name HN  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.500     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      7.545 ppm2      7.839 CV     1
 ASSI {  387}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.600     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.71039E-02 ppm1      7.546 ppm2      4.139 CV     1
 ASSI {  388}
   (( segid "PAH3" and resid 500  and name HA  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.54949E-02 ppm1      7.545 ppm2      3.999 CV     1
 OR {  388}
   (( segid "PAH3" and resid 499  and name HA  ))
   (( segid "PAH3" and resid 503  and name HN  ))
 ASSI {  389}
   (( segid "PAH3" and resid 502  and name HA  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      3.300     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.23345E-02 ppm1      7.542 ppm2      3.579 CV     1
 ASSI {  390}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.600     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.84040E-02 ppm1      7.544 ppm2      2.481 CV     1
 OR {  390}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 503  and name HN  ))
 ASSI {  391}
   (( segid "PAH3" and resid 503  and name HB2 ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.300     0.600     0.600 peak   391 spectrum    1 weight  0.10000E+01 volume  0.19322E-01 ppm1      7.547 ppm2      2.252 CV     1
 OR {  391}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (( segid "PAH3" and resid 503  and name HN  ))
 ASSI {  392}
   (( segid "PAH3" and resid 502  and name HB  ))
   (( segid "PAH3" and resid 503  and name HN  ))
      2.500     0.800     0.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.84759E-02 ppm1      7.548 ppm2      1.903 CV     1
 ASSI {  393}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 503  and name HN  ))
      3.400     1.400     1.400 peak   393 spectrum    1 weight  0.10000E+01 volume  0.34622E-02 ppm1      7.547 ppm2      0.717 CV     1
 ASSI {  394}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 503  and name HN  ))
      3.700     1.800     1.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.30887E-02 ppm1      7.548 ppm2      0.605 CV     1
 ASSI {  395}
   (( segid "PAH3" and resid 505  and name HN  ))
   (( segid "PAH3" and resid 504  and name HN  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.46258E-02 ppm1      8.766 ppm2      8.158 CV     1
 ASSI {  397}
   (( segid "PAH3" and resid 504  and name HA  ))
   (( segid "PAH3" and resid 504  and name HN  ))
      2.800     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      8.764 ppm2      4.255 CV     1
 ASSI {  398}
   (( segid "PAH3" and resid 501  and name HA  ))
   (( segid "PAH3" and resid 504  and name HN  ))
      3.300     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.24853E-02 ppm1      8.768 ppm2      4.033 CV     1
 OR {  398}
   (( segid "PAH3" and resid 500  and name HA  ))
   (( segid "PAH3" and resid 504  and name HN  ))
 ASSI {  399}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 504  and name HN  ))
      3.700     1.700     1.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.22052E-02 ppm1      8.765 ppm2      2.467 CV     1
 OR {  399}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 504  and name HN  ))
 ASSI {  400}
   (( segid "PAH3" and resid 503  and name HB2 ))
   (( segid "PAH3" and resid 504  and name HN  ))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.81885E-02 ppm1      8.767 ppm2      2.256 CV     1
 OR {  400}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (( segid "PAH3" and resid 504  and name HN  ))
 ASSI {  401}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "PAH3" and resid 504  and name HN  ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14797E-01 ppm1      8.767 ppm2      1.992 CV     1
 ASSI {  402}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (( segid "PAH3" and resid 504  and name HN  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.48700E-02 ppm1      8.764 ppm2      1.719 CV     1
 ASSI {  403}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 504  and name HN  ))
      3.700     1.700     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.25356E-02 ppm1      8.762 ppm2      1.061 CV     1
 ASSI {  406}
   (( segid "PAH3" and resid 508  and name HN  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.100     3.100     2.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      8.159 ppm2      7.308 CV     1
 OR {  406}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 505  and name HN  ))
 ASSI {  407}
   (( segid "PAH3" and resid 505  and name HA  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27295E-02 ppm1      8.160 ppm2      4.890 CV     1
 ASSI {  408}
   (( segid "PAH3" and resid 504  and name HA  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.700     1.700     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.16305E-02 ppm1      8.164 ppm2      4.252 CV     1
 OR {  408}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 505  and name HN  ))
 OR {  408}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (( segid "PAH3" and resid 505  and name HN  ))
 ASSI {  409}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 505  and name HN  ))
      4.500     2.600     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.91223E-03 ppm1      8.159 ppm2      3.828 CV     1
 OR {  409}
   (( segid "PAH3" and resid 506  and name HA  ))
   (( segid "PAH3" and resid 505  and name HN  ))
 ASSI {  410}
   (( segid "PAH3" and resid 502  and name HA  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.800     1.800     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.81167E-03 ppm1      8.158 ppm2      3.575 CV     1
 ASSI {  411}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (( segid "PAH3" and resid 505  and name HN  ))
      4.700     2.800     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.43313E-03 ppm1      8.161 ppm2      3.683 CV     1
 ASSI {  412}
   (( segid "PAH3" and resid 505  and name HB  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.200     1.300     1.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.21261E-02 ppm1      8.159 ppm2      2.559 CV     1
 ASSI {  413}
   (( segid "PAH3" and resid 504  and name HB1 ))
   (( segid "PAH3" and resid 505  and name HN  ))
      2.800     0.900     0.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.42092E-02 ppm1      8.159 ppm2      1.992 CV     1
 ASSI {  414}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (( segid "PAH3" and resid 505  and name HN  ))
      3.300     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.28804E-02 ppm1      8.156 ppm2      1.703 CV     1
 ASSI {  415}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 505  and name HN  ))
      2.300     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.17598E-01 ppm1      8.159 ppm2      1.068 CV     1
 ASSI {  416}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 505  and name HN  ))
      3.400     1.400     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      8.160 ppm2      0.723 CV     1
 OR {  416}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 505  and name HN  ))
 ASSI {  417}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "PAH3" and resid 505  and name HN  ))
      3.200     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.12139E-02 ppm1      8.157 ppm2      0.827 CV     1
 OR {  417}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 505  and name HN  ))
 ASSI {  418}
   (( segid "PAH3" and resid 504  and name HN  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      4.200     2.200     1.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.59187E-03 ppm1      7.970 ppm2      8.768 CV     1
 ASSI {  419}
   (( segid "PAH3" and resid 505  and name HN  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      2.400     0.700     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.10846E-01 ppm1      7.971 ppm2      8.166 CV     1
 ASSI {  420}
   (( segid "PAH3" and resid 508  and name HN  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      3.500     1.600     1.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      7.967 ppm2      7.289 CV     1
 ASSI {  421}
   (( segid "PAH3" and resid 505  and name HA  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      3.400     1.400     1.400 peak   421 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      7.968 ppm2      4.890 CV     1
 ASSI {  422}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 506  and name HN  ))
      2.300     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.13504E-01 ppm1      7.971 ppm2      4.268 CV     1
 OR {  422}
   (( segid "PAH3" and resid 506  and name HB2 ))
   (( segid "PAH3" and resid 506  and name HN  ))
 ASSI {  423}
   (( segid "PAH3" and resid 503  and name HA  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      3.200     1.300     1.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.33042E-02 ppm1      7.972 ppm2      4.128 CV     1
 ASSI {  424}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 506  and name HN  ))
      2.500     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.11996E-01 ppm1      7.971 ppm2      3.830 CV     1
 OR {  424}
   (( segid "PAH3" and resid 506  and name HA  ))
   (( segid "PAH3" and resid 506  and name HN  ))
 ASSI {  425}
   (( segid "PAH3" and resid 507  and name HD2 ))
   (( segid "PAH3" and resid 506  and name HN  ))
      2.500     0.800     0.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.54806E-02 ppm1      7.970 ppm2      3.668 CV     1
 ASSI {  426}
   (( segid "PAH3" and resid 505  and name HB  ))
   (( segid "PAH3" and resid 506  and name HN  ))
      4.400     2.400     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.70752E-03 ppm1      7.971 ppm2      2.579 CV     1
 ASSI {  427}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 506  and name HN  ))
      4.100     2.100     1.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.19897E-02 ppm1      7.971 ppm2      1.962 CV     1
 OR {  427}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 506  and name HN  ))
 ASSI {  428}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 506  and name HN  ))
      2.900     1.100     1.100 peak   428 spectrum    1 weight  0.10000E+01 volume  0.66586E-02 ppm1      7.971 ppm2      1.078 CV     1
 OR {  428}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 506  and name HN  ))
 ASSI {  429}
   (( segid "PAH3" and resid 510  and name HN  ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.300     1.300     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27511E-02 ppm1      7.280 ppm2      8.358 CV     1
 ASSI {  430}
   (( segid "PAH3" and resid 508  and name HA  ))
   (( segid "PAH3" and resid 508  and name HN  ))
      2.800     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.49490E-02 ppm1      7.277 ppm2      4.376 CV     1
 ASSI {  431}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.200     1.300     1.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.27726E-02 ppm1      7.277 ppm2      4.255 CV     1
 OR {  431}
   (( segid "PAH3" and resid 506  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {  432}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.500     1.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.56171E-02 ppm1      7.278 ppm2      3.159 CV     1
 ASSI {  433}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.44822E-02 ppm1      7.279 ppm2      2.953 CV     1
 ASSI {  434}
   (( segid "PAH3" and resid 507  and name HG2 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.300     1.300     1.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.29163E-02 ppm1      7.283 ppm2      1.957 CV     1
 OR {  434}
   (( segid "PAH3" and resid 507  and name HG1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {  436}
   (( segid "PAH3" and resid 509  and name HA  ))
   (( segid "PAH3" and resid 509  and name HN  ))
      3.300     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17526E-02 ppm1      7.310 ppm2      4.483 CV     1
 ASSI {  437}
   (( segid "PAH3" and resid 507  and name HD1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.400     1.400     1.400 peak   437 spectrum    1 weight  0.10000E+01 volume  0.29809E-02 ppm1      7.316 ppm2      3.812 CV     1
 OR {  437}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 509  and name HN  ))
 OR {  437}
   (( segid "PAH3" and resid 506  and name HA  ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {  438}
   (( segid "PAH3" and resid 510  and name HA2 ))
   (( segid "PAH3" and resid 509  and name HN  ))
      4.200     2.200     1.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.99843E-03 ppm1      7.317 ppm2      3.413 CV     1
 ASSI {  439}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      2.800     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.39219E-02 ppm1      7.317 ppm2      2.956 CV     1
 OR {  439}
   (( segid "PAH3" and resid 508  and name HB2 ))
   (( segid "PAH3" and resid 509  and name HN  ))
 ASSI {  440}
   (( segid "PAH3" and resid 493  and name HB1 ))
   (( segid "PAH3" and resid 493  and name HE21))
      3.800     1.800     1.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.16664E-02 ppm1      7.273 ppm2      2.229 CV     1
 OR {  440}
   (( segid "PAH3" and resid 507  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {  441}
   (( segid "PAH3" and resid 509  and name HG  ))
   (( segid "PAH3" and resid 509  and name HN  ))
      2.900     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.38932E-02 ppm1      7.316 ppm2      1.391 CV     1
 ASSI {  442}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (( segid "PAH3" and resid 509  and name HN  ))
      3.600     1.600     1.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.33472E-02 ppm1      7.319 ppm2      1.172 CV     1
 ASSI {  443}
   (( segid "PAH3" and resid 509  and name HB2 ))
   (( segid "PAH3" and resid 509  and name HN  ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.48485E-02 ppm1      7.318 ppm2      0.790 CV     1
 ASSI {  444}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 509  and name HN  ))
      3.400     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.26792E-02 ppm1      7.315 ppm2      0.479 CV     1
 ASSI {  445}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 509  and name HN  ))
      3.800     1.800     1.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      7.320 ppm2      0.623 CV     1
 ASSI {  446}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 509  and name HN  ))
      3.500     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.21908E-02 ppm1      7.320 ppm2      1.068 CV     1
 OR {  446}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 509  and name HN  ))
 ASSI {  447}
   (( segid "PAH3" and resid 509  and name HN  ))
   (( segid "PAH3" and resid 510  and name HN  ))
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      8.360 ppm2      7.312 CV     1
 ASSI {  448}
   (( segid "PAH3" and resid 511  and name HN  ))
   (( segid "PAH3" and resid 510  and name HN  ))
      2.600     0.900     0.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.57176E-02 ppm1      8.360 ppm2      7.093 CV     1
 ASSI {  449}
   (( segid "PAH3" and resid 507  and name HA  ))
   (( segid "PAH3" and resid 510  and name HN  ))
      3.300     1.400     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.22914E-02 ppm1      8.360 ppm2      4.268 CV     1
 ASSI {  450}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (( segid "PAH3" and resid 510  and name HN  ))
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25715E-02 ppm1      8.356 ppm2      1.132 CV     1
 OR {  450}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 510  and name HN  ))
 ASSI {  451}
   (( segid "PAH3" and resid 509  and name HB2 ))
   (( segid "PAH3" and resid 510  and name HN  ))
      3.500     1.600     1.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.18747E-02 ppm1      8.359 ppm2      0.794 CV     1
 OR {  451}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 510  and name HN  ))
 ASSI {  452}
   (( segid "PAH3" and resid 509  and name HA  ))
   (( segid "PAH3" and resid 510  and name HN  ))
      3.400     1.400     1.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      8.356 ppm2      4.483 CV     1
 ASSI {  453}
   (( segid "PAH3" and resid 510  and name HA2 ))
   (( segid "PAH3" and resid 510  and name HN  ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.98406E-02 ppm1      8.358 ppm2      3.424 CV     1
 ASSI {  454}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 510  and name HN  ))
      2.200     0.600     0.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.17455E-01 ppm1      8.360 ppm2      3.797 CV     1
 ASSI {  457}
   (( segid "PAH3" and resid 511  and name HA  ))
   (( segid "PAH3" and resid 511  and name HN  ))
      2.600     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.70249E-02 ppm1      7.093 ppm2      4.012 CV     1
 ASSI {  458}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      2.900     1.100     1.100 peak   458 spectrum    1 weight  0.10000E+01 volume  0.38788E-02 ppm1      7.094 ppm2      3.787 CV     1
 ASSI {  459}
   (( segid "PAH3" and resid 510  and name HA2 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      3.300     1.300     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.26936E-02 ppm1      7.090 ppm2      3.448 CV     1
 ASSI {  460}
   (( segid "PAH3" and resid 511  and name HD2 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      3.200     3.200     2.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.15371E-02 ppm1      7.093 ppm2      1.475 CV     1
 OR {  460}
   (( segid "PAH3" and resid 511  and name HD1 ))
   (( segid "PAH3" and resid 511  and name HN  ))
 ASSI {  461}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      2.900     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.68884E-02 ppm1      7.092 ppm2      1.237 CV     1
 ASSI {  462}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      2.400     0.700     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.11565E-01 ppm1      7.094 ppm2      1.118 CV     1
 ASSI {  463}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      2.900     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.48054E-02 ppm1      7.091 ppm2      0.967 CV     1
 ASSI {  464}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 511  and name HN  ))
      3.100     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.53297E-02 ppm1      7.093 ppm2      0.819 CV     1
 ASSI {  465}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 511  and name HN  ))
      4.900     3.000     1.100 peak   465 spectrum    1 weight  0.10000E+01 volume  0.42307E-03 ppm1      7.093 ppm2      0.485 CV     1
 ASSI {  466}
   (( segid "PAH3" and resid 511  and name HN  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      2.300     0.600     0.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.11996E-01 ppm1      7.799 ppm2      7.089 CV     1
 ASSI {  467}
   (( segid "PAH3" and resid 509  and name HN  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.700     1.700     1.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      7.797 ppm2      7.331 CV     1
 ASSI {  468}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 512  and name HN  ))
      3.100     1.200     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.29378E-02 ppm1      7.802 ppm2      7.212 CV     1
 ASSI {  469}
   (( segid "PAH3" and resid 512  and name HA  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      2.700     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.50352E-02 ppm1      7.799 ppm2      5.223 CV     1
 ASSI {  470}
   (( segid "PAH3" and resid 509  and name HA  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.500     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      7.800 ppm2      4.482 CV     1
 ASSI {  471}
   (( segid "PAH3" and resid 513  and name HA  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.79731E-03 ppm1      7.805 ppm2      4.320 CV     1
 ASSI {  472}
   (( segid "PAH3" and resid 511  and name HA  ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.100     1.200     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.39003E-02 ppm1      7.801 ppm2      4.014 CV     1
 ASSI {  473}
   (( segid "PAH3" and resid 513  and name HD1 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.400     1.500     1.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      7.801 ppm2      3.888 CV     1
 ASSI {  474}
   (( segid "PAH3" and resid 513  and name HD2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.800     1.800     1.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.24566E-02 ppm1      7.804 ppm2      3.581 CV     1
 ASSI {  475}
   (( segid "PAH3" and resid 510  and name HA2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.200     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.30743E-02 ppm1      7.802 ppm2      3.442 CV     1
 OR {  475}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
 ASSI {  476}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      2.500     0.800     0.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.58685E-02 ppm1      7.800 ppm2      3.085 CV     1
 ASSI {  477}
   (( segid "PAH3" and resid 512  and name HB1 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.400     1.400     1.400 peak   477 spectrum    1 weight  0.10000E+01 volume  0.48269E-02 ppm1      7.799 ppm2      3.225 CV     1
 ASSI {  478}
   (( segid "PAH3" and resid 511  and name HB1 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.700     1.700     1.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.25715E-02 ppm1      7.801 ppm2      1.226 CV     1
 ASSI {  479}
   (( segid "PAH3" and resid 511  and name HB2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      3.200     1.300     1.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      7.805 ppm2      1.116 CV     1
 ASSI {  480}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 512  and name HN  ))
      4.200     2.200     1.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.86195E-03 ppm1      7.800 ppm2      0.465 CV     1
 ASSI {  482}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 514  and name HN  ))
      2.900     1.000     1.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      9.153 ppm2      4.330 CV     1
 OR {  482}
   (( segid "PAH3" and resid 513  and name HA  ))
   (( segid "PAH3" and resid 514  and name HN  ))
 ASSI {  483}
   (( segid "PAH3" and resid 513  and name HB1 ))
   (( segid "PAH3" and resid 514  and name HN  ))
      4.000     2.000     2.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      9.156 ppm2      2.487 CV     1
 OR {  483}
   (( segid "PAH3" and resid 514  and name HG1 ))
   (( segid "PAH3" and resid 514  and name HN  ))
 ASSI {  484}
   (( segid "PAH3" and resid 514  and name HG2 ))
   (( segid "PAH3" and resid 514  and name HN  ))
      3.400     1.400     1.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18388E-02 ppm1      9.154 ppm2      2.375 CV     1
 ASSI {  485}
   (( segid "PAH3" and resid 514  and name HB1 ))
   (( segid "PAH3" and resid 514  and name HN  ))
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.10774E-01 ppm1      9.152 ppm2      2.156 CV     1
 OR {  485}
   (( segid "PAH3" and resid 514  and name HB2 ))
   (( segid "PAH3" and resid 514  and name HN  ))
 ASSI {  486}
   (( segid "PAH3" and resid 514  and name HN  ))
   (( segid "PAH3" and resid 515  and name HN  ))
      2.800     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.46114E-02 ppm1      7.711 ppm2      9.139 CV     1
 ASSI {  487}
   (( segid "PAH3" and resid 516  and name HN  ))
   (( segid "PAH3" and resid 515  and name HN  ))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      7.708 ppm2      8.974 CV     1
 ASSI {  488}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 515  and name HN  ))
      4.900     3.000     1.100 peak   488 spectrum    1 weight  0.10000E+01 volume  0.53369E-03 ppm1      7.709 ppm2      7.206 CV     1
 ASSI {  489}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 515  and name HN  ))
      3.300     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.23991E-02 ppm1      7.707 ppm2      4.341 CV     1
 ASSI {  490}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      4.000     2.000     2.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.20328E-02 ppm1      7.706 ppm2      3.418 CV     1
 OR {  490}
   (( segid "PAH3" and resid 516  and name HB1 ))
   (( segid "PAH3" and resid 515  and name HN  ))
 ASSI {  491}
   (( segid "PAH3" and resid 512  and name HB1 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      3.200     1.200     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.19969E-02 ppm1      7.705 ppm2      3.221 CV     1
 ASSI {  492}
   (( segid "PAH3" and resid 515  and name HB1 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      2.700     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.68597E-02 ppm1      7.707 ppm2      2.325 CV     1
 ASSI {  493}
   (( segid "PAH3" and resid 514  and name HB1 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      2.900     1.100     1.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.49562E-02 ppm1      7.708 ppm2      2.173 CV     1
 OR {  493}
   (( segid "PAH3" and resid 514  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HN  ))
 ASSI {  494}
   (( segid "PAH3" and resid 515  and name HG  ))
   (( segid "PAH3" and resid 515  and name HN  ))
      3.200     1.300     1.300 peak   494 spectrum    1 weight  0.10000E+01 volume  0.73984E-02 ppm1      7.709 ppm2      1.841 CV     1
 ASSI {  495}
   (( segid "PAH3" and resid 515  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      2.700     0.900     0.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.35196E-02 ppm1      7.705 ppm2      1.514 CV     1
 ASSI {  496}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 515  and name HN  ))
      3.800     1.800     1.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.29450E-02 ppm1      7.707 ppm2      0.722 CV     1
 ASSI {  497}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 515  and name HN  ))
      3.000     1.100     1.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.38141E-02 ppm1      7.712 ppm2      0.458 CV     1
 OR {  497}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 515  and name HN  ))
 ASSI {  499}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 516  and name HN  ))
      4.700     2.800     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.96970E-03 ppm1      8.980 ppm2      7.344 CV     1
 OR {  499}
   (( segid "PAH3" and resid 509  and name HN  ))
   (( segid "PAH3" and resid 516  and name HN  ))
 ASSI {  500}
   (( segid "PAH3" and resid 513  and name HA  ))
   (( segid "PAH3" and resid 516  and name HN  ))
      3.400     1.400     1.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21046E-02 ppm1      8.974 ppm2      4.335 CV     1
 OR {  500}
   (( segid "PAH3" and resid 514  and name HA  ))
   (( segid "PAH3" and resid 516  and name HN  ))
 ASSI {  501}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 516  and name HN  ))
      2.300     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.13145E-01 ppm1      8.976 ppm2      3.415 CV     1
 OR {  501}
   (( segid "PAH3" and resid 516  and name HB1 ))
   (( segid "PAH3" and resid 516  and name HN  ))
 ASSI {  502}
   (( segid "PAH3" and resid 515  and name HB1 ))
   (( segid "PAH3" and resid 516  and name HN  ))
      2.800     1.000     1.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.26936E-02 ppm1      8.974 ppm2      2.296 CV     1
 ASSI {  503}
   (( segid "PAH3" and resid 515  and name HG  ))
   (( segid "PAH3" and resid 516  and name HN  ))
      3.800     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.13432E-02 ppm1      8.971 ppm2      1.834 CV     1
 ASSI {  504}
   (( segid "PAH3" and resid 509  and name HB1 ))
   (( segid "PAH3" and resid 516  and name HN  ))
      4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.60337E-03 ppm1      8.974 ppm2      1.170 CV     1
 ASSI {  505}
   (( segid "PAH3" and resid 515  and name HA  ))
   (( segid "PAH3" and resid 516  and name HN  ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.77576E-03 ppm1      8.977 ppm2      4.690 CV     1
 ASSI {  506}
   (( segid "PAH3" and resid 516  and name HA  ))
   (( segid "PAH3" and resid 516  and name HN  ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      8.976 ppm2      4.885 CV     1
 ASSI {  507}
   (( segid "PAH3" and resid 516  and name HN  ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.600     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.63856E-02 ppm1      9.086 ppm2      8.970 CV     1
 ASSI {  508}
   (( segid "PAH3" and resid 518  and name HN  ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.700     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.60480E-02 ppm1      9.086 ppm2      7.771 CV     1
 ASSI {  509}
   (( segid "PAH3" and resid 516  and name HA  ))
   (( segid "PAH3" and resid 517  and name HN  ))
      3.900     1.900     1.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.84759E-03 ppm1      9.083 ppm2      4.869 CV     1
 ASSI {  510}
   (( segid "PAH3" and resid 516  and name HB1 ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.500     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.96251E-02 ppm1      9.088 ppm2      3.419 CV     1
 OR {  510}
   (( segid "PAH3" and resid 516  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HN  ))
 ASSI {  511}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.600     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.94815E-02 ppm1      9.088 ppm2      3.027 CV     1
 ASSI {  512}
   (( segid "PAH3" and resid 517  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.700     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.58972E-02 ppm1      9.089 ppm2      2.843 CV     1
 ASSI {  513}
   (( segid "PAH3" and resid 517  and name HA  ))
   (( segid "PAH3" and resid 517  and name HN  ))
      2.600     0.800     0.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.82604E-02 ppm1      9.086 ppm2      4.375 CV     1
 ASSI {  515}
   (( segid "PAH3" and resid 519  and name HN  ))
   (( segid "PAH3" and resid 518  and name HN  ))
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.61486E-02 ppm1      7.786 ppm2      8.434 CV     1
 ASSI {  516}
   (( segid "PAH3" and resid 517  and name HA  ))
   (( segid "PAH3" and resid 518  and name HN  ))
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.27582E-02 ppm1      7.785 ppm2      4.407 CV     1
 ASSI {  517}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 518  and name HN  ))
      2.800     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.58685E-02 ppm1      7.784 ppm2      4.030 CV     1
 ASSI {  518}
   (( segid "PAH3" and resid 518  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HN  ))
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.15731E-01 ppm1      7.784 ppm2      3.639 CV     1
 ASSI {  519}
   (( segid "PAH3" and resid 518  and name HB2 ))
   (( segid "PAH3" and resid 518  and name HN  ))
      2.300     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      7.785 ppm2      3.471 CV     1
 ASSI {  520}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HN  ))
      2.700     0.900     0.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.53297E-02 ppm1      7.785 ppm2      3.028 CV     1
 ASSI {  521}
   (( segid "PAH3" and resid 517  and name HB2 ))
   (( segid "PAH3" and resid 518  and name HN  ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.42738E-02 ppm1      7.787 ppm2      2.846 CV     1
 OR {  521}
   (( segid "PAH3" and resid 471  and name HA  ))
   (( segid "PAH3" and resid 474  and name HN  ))
 ASSI {  522}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 518  and name HN  ))
      3.300     3.300     2.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      7.786 ppm2      2.516 CV     1
 OR {  522}
   (( segid "PAH3" and resid 513  and name HB1 ))
   (( segid "PAH3" and resid 518  and name HN  ))
 ASSI {  523}
   (( segid "PAH3" and resid 520  and name HN  ))
   (( segid "PAH3" and resid 519  and name HN  ))
      2.700     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.46402E-02 ppm1      8.435 ppm2      8.654 CV     1
 ASSI {  525}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 519  and name HN  ))
      3.200     1.300     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.20328E-02 ppm1      8.433 ppm2      7.192 CV     1
 ASSI {  526}
   (( segid "PAH3" and resid 516  and name HA  ))
   (( segid "PAH3" and resid 519  and name HN  ))
      3.500     1.600     1.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.12067E-02 ppm1      8.427 ppm2      4.890 CV     1
 ASSI {  527}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 519  and name HN  ))
      3.500     1.600     1.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      8.435 ppm2      4.028 CV     1
 ASSI {  528}
   (( segid "PAH3" and resid 519  and name HA  ))
   (( segid "PAH3" and resid 519  and name HN  ))
      3.000     1.100     1.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.30456E-02 ppm1      8.430 ppm2      3.889 CV     1
 ASSI {  529}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 519  and name HN  ))
      2.100     0.600     0.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.17239E-01 ppm1      8.433 ppm2      3.618 CV     1
 OR {  529}
   (( segid "PAH3" and resid 518  and name HB1 ))
   (( segid "PAH3" and resid 519  and name HN  ))
 OR {  529}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 519  and name HN  ))
 ASSI {  530}
   (( segid "PAH3" and resid 518  and name HB2 ))
   (( segid "PAH3" and resid 519  and name HN  ))
      3.500     1.500     1.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.59690E-02 ppm1      8.435 ppm2      3.481 CV     1
 ASSI {  531}
   (( segid "PAH3" and resid 519  and name HN  ))
   (( segid "PAH3" and resid 520  and name HN  ))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.36489E-02 ppm1      8.652 ppm2      8.417 CV     1
 ASSI {  533}
   (( segid "PAH3" and resid 516  and name HA  ))
   (( segid "PAH3" and resid 520  and name HN  ))
      4.500     2.600     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.40512E-03 ppm1      8.657 ppm2      4.874 CV     1
 ASSI {  534}
   (( segid "PAH3" and resid 517  and name HA  ))
   (( segid "PAH3" and resid 520  and name HN  ))
      3.300     1.400     1.400 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20974E-02 ppm1      8.658 ppm2      4.407 CV     1
 ASSI {  535}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      2.400     0.700     0.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      8.651 ppm2      3.608 CV     1
 OR {  535}
   (( segid "PAH3" and resid 520  and name HA  ))
   (( segid "PAH3" and resid 520  and name HN  ))
 OR {  535}
   (( segid "PAH3" and resid 519  and name HB2 ))
   (( segid "PAH3" and resid 520  and name HN  ))
 ASSI {  536}
   (( segid "PAH3" and resid 519  and name HA  ))
   (( segid "PAH3" and resid 520  and name HN  ))
      3.900     1.900     1.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.75421E-03 ppm1      8.652 ppm2      3.869 CV     1
 ASSI {  537}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      3.800     1.800     1.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.22052E-02 ppm1      8.652 ppm2      0.940 CV     1
 ASSI {  538}
   (( segid "PAH3" and resid 520  and name HN  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.63928E-02 ppm1      8.064 ppm2      8.656 CV     1
 ASSI {  539}
   (( segid "PAH3" and resid 522  and name HN  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.60193E-02 ppm1      8.062 ppm2      8.392 CV     1
 ASSI {  540}
   (( segid "PAH3" and resid 521  and name HA  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.700     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.77576E-02 ppm1      8.063 ppm2      4.368 CV     1
 ASSI {  541}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      8.066 ppm2      4.018 CV     1
 ASSI {  542}
   (( segid "PAH3" and resid 522  and name HA  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      4.100     2.100     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      8.059 ppm2      3.843 CV     1
 ASSI {  543}
   (( segid "PAH3" and resid 520  and name HA  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      3.300     1.300     1.300 peak   543 spectrum    1 weight  0.10000E+01 volume  0.31677E-02 ppm1      8.067 ppm2      3.595 CV     1
 OR {  543}
   (( segid "PAH3" and resid 519  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HN  ))
 ASSI {  544}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.400     0.700     0.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.12786E-01 ppm1      8.061 ppm2      2.712 CV     1
 ASSI {  545}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.94096E-02 ppm1      8.061 ppm2      2.547 CV     1
 ASSI {  546}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      4.000     2.000     2.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18388E-02 ppm1      8.061 ppm2      1.360 CV     1
 ASSI {  547}
   (( segid "PAH3" and resid 520  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      3.100     1.200     1.200 peak   547 spectrum    1 weight  0.10000E+01 volume  0.76139E-02 ppm1      8.064 ppm2      1.917 CV     1
 OR {  547}
   (( segid "PAH3" and resid 522  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HN  ))
 ASSI {  549}
   (( segid "PAH3" and resid 523  and name HN  ))
   (( segid "PAH3" and resid 522  and name HN  ))
      2.600     0.900     0.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.63210E-02 ppm1      8.389 ppm2      7.178 CV     1
 ASSI {  550}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HN  ))
      4.500     2.500     1.500 peak   550 spectrum    1 weight  0.10000E+01 volume  0.12067E-02 ppm1      8.389 ppm2      6.830 CV     1
 ASSI {  551}
   (( segid "PAH3" and resid 521  and name HA  ))
   (( segid "PAH3" and resid 522  and name HN  ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      8.388 ppm2      4.345 CV     1
 ASSI {  552}
   (( segid "PAH3" and resid 522  and name HA  ))
   (( segid "PAH3" and resid 522  and name HN  ))
      2.700     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.68238E-02 ppm1      8.389 ppm2      3.855 CV     1
 ASSI {  553}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 522  and name HN  ))
      2.800     1.000     1.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      8.391 ppm2      2.710 CV     1
 ASSI {  554}
   (( segid "PAH3" and resid 522  and name HB1 ))
   (( segid "PAH3" and resid 522  and name HN  ))
      2.400     0.800     0.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.11636E-01 ppm1      8.389 ppm2      2.518 CV     1
 OR {  554}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HN  ))
 ASSI {  555}
   (( segid "PAH3" and resid 522  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HN  ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.90505E-02 ppm1      8.392 ppm2      1.942 CV     1
 ASSI {  556}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 522  and name HN  ))
      4.400     2.400     1.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      8.386 ppm2      1.323 CV     1
 OR {  556}
   (( segid "PAH3" and resid 523  and name HG  ))
   (( segid "PAH3" and resid 522  and name HN  ))
 ASSI {  557}
   (  segid "PAH3" and resid 523  and name HD2%)
   (( segid "PAH3" and resid 522  and name HN  ))
      3.700     1.700     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.39291E-03 ppm1      8.394 ppm2      0.349 CV     1
 ASSI {  559}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 526  and name HN  ))
      2.900     1.000     1.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.53297E-02 ppm1      7.844 ppm2      1.265 CV     1
 OR {  559}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 526  and name HN  ))
 ASSI {  560}
   (( segid "PAH3" and resid 524  and name HN  ))
   (( segid "PAH3" and resid 523  and name HN  ))
      2.500     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.73984E-02 ppm1      7.178 ppm2      7.694 CV     1
 ASSI {  561}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HN  ))
      2.600     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.73984E-02 ppm1      7.843 ppm2      1.542 CV     1
 OR {  561}
   (( segid "PAH3" and resid 526  and name HD2 ))
   (( segid "PAH3" and resid 526  and name HN  ))
 ASSI {  562}
   (( segid "PAH3" and resid 522  and name HA  ))
   (( segid "PAH3" and resid 523  and name HN  ))
      3.400     1.400     1.400 peak   562 spectrum    1 weight  0.10000E+01 volume  0.20831E-02 ppm1      7.179 ppm2      3.828 CV     1
 ASSI {  563}
   (( segid "PAH3" and resid 523  and name HA  ))
   (( segid "PAH3" and resid 523  and name HN  ))
      2.800     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.53369E-02 ppm1      7.179 ppm2      3.696 CV     1
 ASSI {  564}
   (( segid "PAH3" and resid 522  and name HB1 ))
   (( segid "PAH3" and resid 523  and name HN  ))
      2.700     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.43744E-02 ppm1      7.180 ppm2      2.510 CV     1
 ASSI {  565}
   (( segid "PAH3" and resid 522  and name HB2 ))
   (( segid "PAH3" and resid 523  and name HN  ))
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.25284E-02 ppm1      7.184 ppm2      1.930 CV     1
 ASSI {  566}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (( segid "PAH3" and resid 523  and name HN  ))
      2.900     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.94096E-02 ppm1      7.180 ppm2      1.571 CV     1
 ASSI {  567}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 523  and name HN  ))
      2.300     0.700     0.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11636E-01 ppm1      7.180 ppm2      1.337 CV     1
 OR {  567}
   (( segid "PAH3" and resid 523  and name HG  ))
   (( segid "PAH3" and resid 523  and name HN  ))
 ASSI {  568}
   (  segid "PAH3" and resid 523  and name HD1%)
   (( segid "PAH3" and resid 523  and name HN  ))
      3.900     1.900     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.19969E-02 ppm1      7.175 ppm2      0.484 CV     1
 ASSI {  569}
   (  segid "PAH3" and resid 523  and name HD2%)
   (( segid "PAH3" and resid 523  and name HN  ))
      3.800     1.800     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.24135E-02 ppm1      7.180 ppm2      0.343 CV     1
 ASSI {  570}
   (( segid "PAH3" and resid 525  and name HN  ))
   (( segid "PAH3" and resid 524  and name HN  ))
      2.300     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.91942E-02 ppm1      7.701 ppm2      8.034 CV     1
 ASSI {  572}
   (( segid "PAH3" and resid 522  and name HN  ))
   (( segid "PAH3" and resid 524  and name HN  ))
      4.300     2.300     1.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.74703E-03 ppm1      7.700 ppm2      8.383 CV     1
 ASSI {  574}
   (( segid "PAH3" and resid 525  and name HA  ))
   (( segid "PAH3" and resid 524  and name HN  ))
      3.400     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.43960E-02 ppm1      7.702 ppm2      4.346 CV     1
 OR {  574}
   (( segid "PAH3" and resid 521  and name HA  ))
   (( segid "PAH3" and resid 524  and name HN  ))
 ASSI {  575}
   (( segid "PAH3" and resid 524  and name HA1 ))
   (( segid "PAH3" and resid 524  and name HN  ))
      2.600     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.10703E-01 ppm1      7.702 ppm2      3.872 CV     1
 ASSI {  576}
   (( segid "PAH3" and resid 524  and name HA2 ))
   (( segid "PAH3" and resid 524  and name HN  ))
      2.200     0.600     0.600 peak   576 spectrum    1 weight  0.10000E+01 volume  0.16233E-01 ppm1      7.702 ppm2      3.656 CV     1
 ASSI {  577}
   (( segid "PAH3" and resid 525  and name HB2 ))
   (( segid "PAH3" and resid 524  and name HN  ))
      4.200     2.200     1.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.18460E-02 ppm1      7.702 ppm2      2.533 CV     1
 ASSI {  578}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (( segid "PAH3" and resid 524  and name HN  ))
      3.200     1.300     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.19753E-02 ppm1      7.704 ppm2      1.562 CV     1
 ASSI {  579}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 524  and name HN  ))
      3.100     1.200     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.19825E-02 ppm1      7.696 ppm2      1.312 CV     1
 ASSI {  580}
   (( segid "PAH3" and resid 524  and name HN  ))
   (( segid "PAH3" and resid 525  and name HN  ))
      2.300     0.600     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.10056E-01 ppm1      8.036 ppm2      7.691 CV     1
 ASSI {  581}
   (( segid "PAH3" and resid 526  and name HN  ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.600     1.600     1.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.31533E-02 ppm1      8.036 ppm2      7.841 CV     1
 ASSI {  583}
   (( segid "PAH3" and resid 525  and name HA  ))
   (( segid "PAH3" and resid 525  and name HN  ))
      2.500     0.800     0.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.86914E-02 ppm1      8.035 ppm2      4.324 CV     1
 ASSI {  584}
   (( segid "PAH3" and resid 524  and name HA1 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.400     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.35340E-02 ppm1      8.034 ppm2      3.881 CV     1
 ASSI {  585}
   (( segid "PAH3" and resid 524  and name HA2 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.51861E-02 ppm1      8.036 ppm2      3.693 CV     1
 ASSI {  586}
   (( segid "PAH3" and resid 520  and name HA  ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.000     1.100     1.100 peak   586 spectrum    1 weight  0.10000E+01 volume  0.36489E-02 ppm1      8.034 ppm2      3.599 CV     1
 ASSI {  587}
   (( segid "PAH3" and resid 525  and name HB1 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      2.400     0.700     0.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.12139E-01 ppm1      8.034 ppm2      2.757 CV     1
 ASSI {  588}
   (( segid "PAH3" and resid 525  and name HB2 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      2.400     0.700     0.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.98406E-02 ppm1      8.036 ppm2      2.552 CV     1
 ASSI {  589}
   (( segid "PAH3" and resid 523  and name HB1 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.300     1.400     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.27439E-02 ppm1      8.032 ppm2      1.570 CV     1
 ASSI {  590}
   (( segid "PAH3" and resid 520  and name HB1 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.600     1.600     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      8.033 ppm2      1.900 CV     1
 ASSI {  591}
   (( segid "PAH3" and resid 498  and name HG2 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      4.200     2.200     1.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.91223E-03 ppm1      8.033 ppm2      1.749 CV     1
 OR {  591}
   (( segid "PAH3" and resid 520  and name HE1 ))
   (( segid "PAH3" and resid 525  and name HN  ))
 ASSI {  592}
   (( segid "PAH3" and resid 523  and name HB2 ))
   (( segid "PAH3" and resid 525  and name HN  ))
      3.700     1.700     1.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.18963E-02 ppm1      8.040 ppm2      1.303 CV     1
 ASSI {  593}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 526  and name HN  ))
      3.700     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      7.842 ppm2      6.881 CV     1
 ASSI {  594}
   (( segid "PAH3" and resid 525  and name HA  ))
   (( segid "PAH3" and resid 526  and name HN  ))
      2.100     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.26002E-01 ppm1      7.844 ppm2      4.321 CV     1
 ASSI {  595}
   (( segid "PAH3" and resid 526  and name HA  ))
   (( segid "PAH3" and resid 526  and name HN  ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.10487E-01 ppm1      7.844 ppm2      4.213 CV     1
 ASSI {  596}
   (( segid "PAH3" and resid 525  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HN  ))
      4.000     2.000     2.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      7.844 ppm2      2.764 CV     1
 ASSI {  597}
   (( segid "PAH3" and resid 525  and name HB2 ))
   (( segid "PAH3" and resid 526  and name HN  ))
      4.300     2.300     1.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17670E-02 ppm1      7.848 ppm2      2.549 CV     1
 ASSI {  598}
   (( segid "PAH3" and resid 526  and name HB1 ))
   (( segid "PAH3" and resid 526  and name HN  ))
      3.200     1.300     1.300 peak   598 spectrum    1 weight  0.10000E+01 volume  0.44175E-02 ppm1      7.842 ppm2      1.686 CV     1
 ASSI {  599}
   (  segid "PAH3" and resid 466  and name HD1%)
   (( segid "PAH3" and resid 466  and name HN  ))
      3.900     1.900     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.35771E-02 ppm1      7.585 ppm2      0.918 CV     1
 OR {  599}
   (  segid "PAH3" and resid 466  and name HD2%)
   (( segid "PAH3" and resid 466  and name HN  ))
 ASSI {  600}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.000     1.100     1.100 peak   600 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      7.601 ppm2      1.787 CV     1
 ASSI {  601}
   (( segid "PAH3" and resid 470  and name HG2 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.500     1.500     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.42810E-02 ppm1      7.598 ppm2      1.268 CV     1
 ASSI {  602}
   (( segid "PAH3" and resid 475  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      2.800     0.900     0.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.52579E-02 ppm1      7.837 ppm2      4.139 CV     1
 ASSI {  603}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 475  and name HN  ))
      3.000     1.200     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.29235E-02 ppm1      7.833 ppm2      0.988 CV     1
 ASSI {  604}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 475  and name HN  ))
      3.600     1.600     1.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.29091E-02 ppm1      7.836 ppm2      0.665 CV     1
 ASSI {  605}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HD21))
      3.200     1.300     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      7.794 ppm2      3.089 CV     1
 ASSI {  606}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "PAH3" and resid 483  and name HD21))
      2.000     0.500     0.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.20687E-01 ppm1      7.788 ppm2      7.191 CV     1
 ASSI {  607}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HD22))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      7.195 ppm2      3.084 CV     1
 ASSI {  612}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 486  and name HN  ))
      2.900     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.40799E-02 ppm1      8.137 ppm2      3.500 CV     1
 ASSI {  615}
   (( segid "PAH3" and resid 493  and name HE22))
   (( segid "PAH3" and resid 493  and name HE21))
      1.800     0.400     0.400 peak   615 spectrum    1 weight  0.10000E+01 volume  0.34334E-01 ppm1      7.274 ppm2      7.029 CV     1
 ASSI {  616}
   (( segid "PAH3" and resid 493  and name HG1 ))
   (( segid "PAH3" and resid 493  and name HE21))
      2.900     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.28804E-02 ppm1      7.277 ppm2      2.587 CV     1
 ASSI {  617}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HE21))
      3.400     1.500     1.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.18676E-02 ppm1      7.276 ppm2      2.505 CV     1
 ASSI {  619}
   (( segid "PAH3" and resid 493  and name HG1 ))
   (( segid "PAH3" and resid 493  and name HE22))
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15012E-02 ppm1      7.033 ppm2      2.594 CV     1
 ASSI {  620}
   (( segid "PAH3" and resid 498  and name HG1 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      3.600     1.600     1.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.33042E-02 ppm1      9.146 ppm2      2.256 CV     1
 ASSI {  621}
   (( segid "PAH3" and resid 498  and name HB1 ))
   (( segid "PAH3" and resid 498  and name HN  ))
      2.800     1.000     1.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.146 ppm2      2.111 CV     1
 ASSI {  622}
   (( segid "PAH3" and resid 500  and name HB1 ))
   (( segid "PAH3" and resid 500  and name HN  ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.54016E-02 ppm1      7.828 ppm2      2.559 CV     1
 ASSI {  623}
   (( segid "PAH3" and resid 500  and name HB2 ))
   (( segid "PAH3" and resid 500  and name HN  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.43241E-02 ppm1      7.830 ppm2      1.756 CV     1
 ASSI {  624}
   (( segid "PAH3" and resid 500  and name HG2 ))
   (( segid "PAH3" and resid 500  and name HN  ))
      2.600     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.56530E-02 ppm1      7.827 ppm2      2.300 CV     1
 ASSI {  626}
   (( segid "PAH3" and resid 503  and name HE21))
   (( segid "PAH3" and resid 503  and name HE22))
      1.700     0.300     0.500 peak   626 spectrum    1 weight  0.10000E+01 volume  0.61342E-01 ppm1      6.670 ppm2      7.345 CV     1
 ASSI {  627}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 517  and name HD21))
      3.500     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.14150E-02 ppm1      7.610 ppm2      3.034 CV     1
 ASSI {  628}
   (( segid "PAH3" and resid 517  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HD21))
      3.300     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      7.608 ppm2      2.843 CV     1
 ASSI {  629}
   (( segid "PAH3" and resid 517  and name HD22))
   (( segid "PAH3" and resid 517  and name HD21))
      1.900     0.400     0.400 peak   629 spectrum    1 weight  0.10000E+01 volume  0.30599E-01 ppm1      7.611 ppm2      7.013 CV     1
 ASSI {  630}
   (( segid "PAH3" and resid 517  and name HB1 ))
   (( segid "PAH3" and resid 517  and name HD22))
      4.100     2.100     1.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      7.013 ppm2      3.031 CV     1
 ASSI {  631}
   (( segid "PAH3" and resid 517  and name HB2 ))
   (( segid "PAH3" and resid 517  and name HD22))
      4.600     2.600     1.400 peak   631 spectrum    1 weight  0.10000E+01 volume  0.78294E-03 ppm1      7.019 ppm2      2.855 CV     1
 ASSI {  633}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HE1 ))
      2.500     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10631E-01 ppm1      9.930 ppm2      7.222 CV     1
 ASSI {  634}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 518  and name HE1 ))
      2.600     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.84759E-02 ppm1      9.930 ppm2      7.060 CV     1
 ASSI {  635}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HD21))
      3.600     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      7.456 ppm2      2.713 CV     1
 ASSI {  636}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HD21))
      3.400     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.12211E-02 ppm1      7.462 ppm2      2.558 CV     1
 ASSI {  637}
   (( segid "PAH3" and resid 521  and name HD22))
   (( segid "PAH3" and resid 521  and name HD21))
      1.800     0.400     0.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.42810E-01 ppm1      7.459 ppm2      6.816 CV     1
 ASSI {  638}
   (( segid "PAH3" and resid 521  and name HB1 ))
   (( segid "PAH3" and resid 521  and name HD22))
      4.500     2.500     1.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.95533E-03 ppm1      6.814 ppm2      2.710 CV     1
 ASSI {  639}
   (( segid "PAH3" and resid 521  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HD22))
      4.500     2.500     1.500 peak   639 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      6.823 ppm2      2.558 CV     1
 ASSI {  641}
   (( segid "PAH3" and resid 525  and name HN  ))
   (( segid "PAH3" and resid 523  and name HN  ))
      3.800     1.800     1.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      7.178 ppm2      8.040 CV     1
 OR {  641}
   (( segid "PAH3" and resid 521  and name HN  ))
   (( segid "PAH3" and resid 523  and name HN  ))
 ASSI {  642}
   (( segid "PAH3" and resid 523  and name HN  ))
   (( segid "PAH3" and resid 525  and name HN  ))
      4.300     2.300     1.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      8.035 ppm2      7.186 CV     1
 ASSI {  643}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HN  ))
      4.300     2.400     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13001E-02 ppm1      8.035 ppm2      6.888 CV     1
 ASSI {  644}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 487  and name HN  ))
      3.300     3.300     2.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      7.363 ppm2      0.709 CV     1
 OR {  644}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 487  and name HN  ))
 ASSI {  645}
   (( segid "PAH3" and resid 486  and name HB2 ))
   (( segid "PAH3" and resid 487  and name HN  ))
      3.300     1.400     1.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      7.367 ppm2      0.941 CV     1
 ASSI {  646}
   (( segid "PAH3" and resid 472  and name HB1 ))
   (( segid "PAH3" and resid 473  and name HN  ))
      2.200     0.600     0.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.16593E-01 ppm1      7.386 ppm2      1.434 CV     1
 OR {  646}
   (( segid "PAH3" and resid 473  and name HG1 ))
   (( segid "PAH3" and resid 473  and name HN  ))
 ASSI {  647}
   (( segid "PAH3" and resid 520  and name HG1 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.65580E-02 ppm1      8.652 ppm2      1.377 CV     1
 ASSI {  648}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      2.500     0.800     0.800 peak   648 spectrum    1 weight  0.10000E+01 volume  0.63354E-02 ppm1      8.652 ppm2      1.839 CV     1
 ASSI {  649}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HN  ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.16377E-01 ppm1      7.847 ppm2      1.926 CV     1
 OR {  649}
   (( segid "PAH3" and resid 482  and name HB2 ))
   (( segid "PAH3" and resid 481  and name HN  ))
 ASSI {  650}
   (  segid "PAH3" and resid 485  and name HD2%)
   (( segid "PAH3" and resid 486  and name HN  ))
      4.800     2.800     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.66945E-03 ppm1      8.137 ppm2      0.480 CV     1
 ASSI {  651}
   (( segid "PAH3" and resid 520  and name HD2 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      4.000     2.000     2.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.20400E-02 ppm1      8.650 ppm2      1.209 CV     1
 ASSI {  652}
   (  segid "PAH3" and resid 502  and name HG2%)
   (( segid "PAH3" and resid 520  and name HN  ))
      4.300     2.300     1.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.89068E-03 ppm1      8.654 ppm2      0.604 CV     1
 OR {  652}
   (  segid "PAH3" and resid 509  and name HD1%)
   (( segid "PAH3" and resid 520  and name HN  ))
 ASSI {  653}
   (( segid "PAH3" and resid 455  and name HD21))
   (( segid "PAH3" and resid 455  and name HD22))
      2.100     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.13217E-01 ppm1      6.939 ppm2      7.612 CV     1
 ASSI {  656}
   (( segid "PAH3" and resid 463  and name HN  ))
   (( segid "PAH3" and resid 464  and name HN  ))
      3.400     1.500     1.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      9.818 ppm2      8.224 CV     1
 ASSI {  657}
   (( segid "PAH3" and resid 466  and name HN  ))
   (( segid "PAH3" and resid 464  and name HN  ))
      4.700     2.700     1.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.33975E-03 ppm1      9.835 ppm2      7.573 CV     1
 ASSI {  658}
   (( segid "PAH3" and resid 520  and name HA  ))
   (( segid "PAH3" and resid 523  and name HN  ))
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.24997E-02 ppm1      7.180 ppm2      3.585 CV     1
 ASSI {  659}
   (( segid "PAH3" and resid 464  and name HG1 ))
   (( segid "PAH3" and resid 465  and name HN  ))
      5.200     3.400     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.50855E-03 ppm1      8.358 ppm2      2.629 CV     1
 ASSI {  660}
   (( segid "PAH3" and resid 467  and name HN  ))
   (( segid "PAH3" and resid 518  and name HE1 ))
      3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.39075E-02 ppm1      9.927 ppm2      7.375 CV     1
 ASSI {  661}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 518  and name HE1 ))
      4.200     2.200     1.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.86195E-03 ppm1      9.937 ppm2      4.026 CV     1
 ASSI {  662}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 503  and name HE22))
      4.100     2.100     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      6.671 ppm2      2.461 CV     1
 OR {  662}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 503  and name HE22))
 ASSI {  663}
   (( segid "PAH3" and resid 503  and name HG1 ))
   (( segid "PAH3" and resid 503  and name HE21))
      3.500     1.500     1.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      7.348 ppm2      2.468 CV     1
 OR {  663}
   (( segid "PAH3" and resid 503  and name HG2 ))
   (( segid "PAH3" and resid 503  and name HE21))
 ASSI {  664}
   (( segid "PAH3" and resid 503  and name HB1 ))
   (( segid "PAH3" and resid 503  and name HE21))
      3.500     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12067E-02 ppm1      7.353 ppm2      2.317 CV     1
 ASSI {  665}
   (( segid "PAH3" and resid 489  and name HA  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      3.600     1.600     1.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12426E-02 ppm1      7.640 ppm2      3.797 CV     1
 ASSI {  666}
   (( segid "PAH3" and resid 486  and name HA  ))
   (( segid "PAH3" and resid 490  and name HN  ))
      3.900     1.900     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.12426E-02 ppm1      7.635 ppm2      3.522 CV     1
 OR {  666}
   (( segid "PAH3" and resid 491  and name HB1 ))
   (( segid "PAH3" and resid 490  and name HN  ))
 ASSI {  667}
   (  segid "PAH3" and resid 490  and name HG2%)
   (( segid "PAH3" and resid 491  and name HN  ))
      4.900     3.100     1.100 peak   667 spectrum    1 weight  0.10000E+01 volume  0.61199E-03 ppm1      7.790 ppm2      1.349 CV     1
 ASSI {  668}
   (  segid "PAH3" and resid 501  and name HD2%)
   (( segid "PAH3" and resid 491  and name HN  ))
      3.500     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.58038E-03 ppm1      7.793 ppm2      0.561 CV     1
 ASSI {  669}
   (( segid "PAH3" and resid 523  and name HA  ))
   (( segid "PAH3" and resid 522  and name HN  ))
      4.000     2.000     2.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.16952E-02 ppm1      8.393 ppm2      3.687 CV     1
 ASSI {  672}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (( segid "PAH3" and resid 486  and name HE  ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.23991E-02 ppm1      7.447 ppm2      2.769 CV     1
 OR {  672}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (( segid "PAH3" and resid 486  and name HE  ))
 ASSI {  674}
   (( segid "PAH3" and resid 503  and name HN  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      4.200     2.200     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      8.153 ppm2      7.533 CV     1
 ASSI {  675}
   (( segid "PAH3" and resid 505  and name HA  ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.600     1.700     1.700 peak   675 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      7.278 ppm2      4.882 CV     1
 ASSI {  676}
   (( segid "PAH3" and resid 501  and name HA  ))
   (( segid "PAH3" and resid 505  and name HN  ))
      4.200     2.300     1.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.67017E-03 ppm1      8.162 ppm2      4.048 CV     1
 ASSI {  677}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 505  and name HN  ))
      3.500     1.600     1.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.16593E-02 ppm1      8.155 ppm2      0.892 CV     1
 ASSI {  678}
   (( segid "PAH3" and resid 494  and name HA  ))
   (( segid "PAH3" and resid 496  and name HN  ))
      3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.11493E-02 ppm1      6.537 ppm2      3.894 CV     1
 ASSI {  680}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 484  and name HN  ))
      3.300     1.300     1.300 peak   680 spectrum    1 weight  0.10000E+01 volume  0.17886E-02 ppm1      7.819 ppm2      1.013 CV     1
 OR {  680}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 484  and name HN  ))
 OR {  680}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 486  and name HH11))
 ASSI {  681}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 484  and name HN  ))
      3.600     1.600     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      7.821 ppm2      0.692 CV     1
 ASSI {  682}
   (( segid "PAH3" and resid 526  and name HG2 ))
   (( segid "PAH3" and resid 527  and name HN  ))
      4.300     2.300     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.98406E-03 ppm1      8.162 ppm2      1.243 CV     1
 OR {  682}
   (( segid "PAH3" and resid 526  and name HG1 ))
   (( segid "PAH3" and resid 527  and name HN  ))
 ASSI {  683}
   (( segid "PAH3" and resid 486  and name HH12))
   (( segid "PAH3" and resid 486  and name HH11))
      2.500     0.800     0.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.39147E-02 ppm1      7.818 ppm2      5.979 CV     1
 ASSI {  684}
   (( segid "PAH3" and resid 526  and name HB2 ))
   (( segid "PAH3" and resid 528  and name HN  ))
      3.600     1.600     1.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      7.830 ppm2      1.566 CV     1
 ASSI {  687}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 486  and name HH12))
      3.300     3.300     2.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.81167E-03 ppm1      5.983 ppm2      1.068 CV     1
 ASSI {  690}
   (( segid "PAH3" and resid 470  and name HB1 ))
   (( segid "PAH3" and resid 474  and name HN  ))
      3.500     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.20040E-02 ppm1      7.759 ppm2      1.802 CV     1
 OR {  690}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 474  and name HN  ))
 OR {  690}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (( segid "PAH3" and resid 518  and name HN  ))
 ASSI {  691}
   (( segid "PAH3" and resid 516  and name HA  ))
   (( segid "PAH3" and resid 518  and name HN  ))
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.89068E-03 ppm1      7.788 ppm2      4.871 CV     1
 ASSI {  692}
   (( segid "PAH3" and resid 517  and name HN  ))
   (( segid "PAH3" and resid 516  and name HN  ))
      2.600     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.60265E-02 ppm1      8.977 ppm2      9.104 CV     1
 ASSI {  694}
   (  segid "PAH3" and resid 509  and name HD2%)
   (( segid "PAH3" and resid 516  and name HN  ))
      3.800     1.800     1.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.90505E-03 ppm1      8.985 ppm2      0.464 CV     1
 OR {  694}
   (  segid "PAH3" and resid 515  and name HD2%)
   (( segid "PAH3" and resid 516  and name HN  ))
 ASSI {  695}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 480  and name HN  ))
      4.700     2.800     1.300 peak   695 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      7.890 ppm2      0.669 CV     1
 ASSI {  696}
   (  segid "PAH3" and resid 515  and name HD1%)
   (( segid "PAH3" and resid 471  and name HN  ))
      4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.94815E-03 ppm1      7.866 ppm2      0.723 CV     1
 ASSI {  698}
   (( segid "PAH3" and resid 503  and name HN  ))
   (( segid "PAH3" and resid 501  and name HN  ))
      4.000     2.000     2.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.77576E-03 ppm1      8.595 ppm2      7.554 CV     1
 ASSI {  699}
   (( segid "PAH3" and resid 500  and name HG1 ))
   (( segid "PAH3" and resid 501  and name HN  ))
      4.100     2.100     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.20112E-02 ppm1      8.594 ppm2      2.444 CV     1
 ASSI {  700}
   (  segid "PAH3" and resid 502  and name HG1%)
   (( segid "PAH3" and resid 501  and name HN  ))
      4.300     2.300     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.10415E-02 ppm1      8.594 ppm2      0.727 CV     1
 ASSI {  702}
   (  segid "PAH3" and resid 519  and name HE% )
   (( segid "PAH3" and resid 519  and name HN  ))
      4.900     3.000     1.100 peak   702 spectrum    1 weight  0.10000E+01 volume  0.70608E-03 ppm1      8.438 ppm2      6.990 CV     1
 ASSI {  703}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 519  and name HN  ))
      4.000     2.000     2.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.63210E-03 ppm1      8.430 ppm2      6.157 CV     1
 ASSI {  704}
   (( segid "PAH3" and resid 502  and name HN  ))
   (( segid "PAH3" and resid 504  and name HN  ))
      4.400     2.400     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.47910E-03 ppm1      8.756 ppm2      7.842 CV     1
 ASSI {  705}
   (  segid "PAH3" and resid 504  and name HD1%)
   (( segid "PAH3" and resid 504  and name HN  ))
      3.900     1.900     1.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.29019E-02 ppm1      8.768 ppm2      0.837 CV     1
 ASSI {  706}
   (  segid "PAH3" and resid 504  and name HD2%)
   (( segid "PAH3" and resid 504  and name HN  ))
      3.500     1.500     1.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.42882E-02 ppm1      8.767 ppm2      0.730 CV     1
 ASSI {  707}
   (( segid "PAH3" and resid 470  and name HN  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.18245E-02 ppm1      7.845 ppm2      7.614 CV     1
 OR {  707}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 472  and name HN  ))
 ASSI {  708}
   (( segid "PAH3" and resid 471  and name HN  ))
   (( segid "PAH3" and resid 469  and name HN  ))
      3.200     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      7.691 ppm2      7.875 CV     1
 OR {  708}
   (( segid "PAH3" and resid 472  and name HN  ))
   (( segid "PAH3" and resid 469  and name HN  ))
 ASSI {  709}
   (( segid "PAH3" and resid 468  and name HA  ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.700     1.700     1.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.16952E-02 ppm1      7.841 ppm2      3.707 CV     1
 OR {  709}
   (( segid "PAH3" and resid 470  and name HA  ))
   (( segid "PAH3" and resid 472  and name HN  ))
 ASSI {  710}
   (( segid "PAH3" and resid 468  and name HB1 ))
   (( segid "PAH3" and resid 472  and name HN  ))
      3.800     1.800     1.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      7.844 ppm2      3.606 CV     1
 ASSI {  711}
   (( segid "PAH3" and resid 484  and name HN  ))
   (( segid "PAH3" and resid 486  and name HN  ))
      3.900     1.900     1.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.81167E-03 ppm1      8.141 ppm2      7.807 CV     1
 ASSI {  712}
   (( segid "PAH3" and resid 487  and name HG  ))
   (( segid "PAH3" and resid 486  and name HN  ))
      4.100     2.100     1.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      8.137 ppm2      3.130 CV     1
 OR {  712}
   (( segid "PAH3" and resid 483  and name HB1 ))
   (( segid "PAH3" and resid 486  and name HN  ))
 ASSI {  713}
   (( segid "PAH3" and resid 486  and name HD2 ))
   (( segid "PAH3" and resid 486  and name HN  ))
      4.000     2.000     2.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      8.146 ppm2      2.775 CV     1
 OR {  713}
   (( segid "PAH3" and resid 486  and name HD1 ))
   (( segid "PAH3" and resid 486  and name HN  ))
 ASSI {  714}
   (( segid "PAH3" and resid 482  and name HG1 ))
   (( segid "PAH3" and resid 486  and name HN  ))
      4.600     2.600     1.400 peak   714 spectrum    1 weight  0.10000E+01 volume  0.64431E-03 ppm1      8.131 ppm2      2.448 CV     1
 OR {  714}
   (( segid "PAH3" and resid 489  and name HB  ))
   (( segid "PAH3" and resid 486  and name HN  ))
 ASSI {  716}
   (( segid "PAH3" and resid 510  and name HA1 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      4.500     2.500     1.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.95533E-03 ppm1      7.794 ppm2      3.783 CV     1
 ASSI {  717}
   (( segid "PAH3" and resid 512  and name HB2 ))
   (( segid "PAH3" and resid 515  and name HN  ))
      3.800     1.800     1.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.22123E-02 ppm1      7.712 ppm2      3.084 CV     1
 ASSI {  718}
   (( segid "PAH3" and resid 511  and name HG1 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      4.300     2.300     1.700 peak   718 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      7.797 ppm2      0.966 CV     1
 ASSI {  719}
   (( segid "PAH3" and resid 511  and name HG2 ))
   (( segid "PAH3" and resid 512  and name HN  ))
      4.400     2.400     1.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.99843E-03 ppm1      7.791 ppm2      0.846 CV     1
 ASSI {  720}
   (( segid "PAH3" and resid 485  and name HN  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      3.900     1.900     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.77576E-03 ppm1      8.526 ppm2      8.168 CV     1
 ASSI {  721}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "PAH3" and resid 482  and name HN  ))
      4.100     2.100     1.900 peak   721 spectrum    1 weight  0.10000E+01 volume  0.82604E-03 ppm1      8.530 ppm2      4.478 CV     1
 OR {  721}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 482  and name HN  ))
 ASSI {  722}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 482  and name HN  ))
      4.900     3.000     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.48772E-03 ppm1      8.530 ppm2      1.658 CV     1
 ASSI {  723}
   (  segid "PAH3" and resid 475  and name HD2%)
   (( segid "PAH3" and resid 482  and name HN  ))
      4.800     2.900     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.44031E-03 ppm1      8.524 ppm2      0.685 CV     1
 ASSI {  724}
   (( segid "PAH3" and resid 477  and name HB2 ))
   (( segid "PAH3" and resid 479  and name HN  ))
      4.500     2.500     1.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.60768E-03 ppm1      8.618 ppm2      3.771 CV     1
 ASSI {  725}
   (( segid "PAH3" and resid 481  and name HA  ))
   (( segid "PAH3" and resid 485  and name HN  ))
      4.300     2.300     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.61630E-03 ppm1      8.181 ppm2      4.113 CV     1
 ASSI {  726}
   (  segid "PAH3" and resid 496  and name HG2%)
   (( segid "PAH3" and resid 497  and name HN  ))
      4.100     2.100     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.18676E-02 ppm1      9.674 ppm2      0.802 CV     1
 OR {  726}
   (( segid "PAH3" and resid 496  and name HG12))
   (( segid "PAH3" and resid 497  and name HN  ))
 ASSI {  727}
   (( segid "PAH3" and resid 500  and name HN  ))
   (( segid "PAH3" and resid 497  and name HN  ))
      4.200     2.200     1.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.84040E-03 ppm1      9.674 ppm2      7.834 CV     1
 ASSI {  728}
   (( segid "PAH3" and resid 521  and name HD21))
   (( segid "PAH3" and resid 521  and name HN  ))
      5.100     3.200     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.38213E-03 ppm1      8.058 ppm2      7.460 CV     1
 ASSI {  729}
   (( segid "PAH3" and resid 523  and name HN  ))
   (( segid "PAH3" and resid 521  and name HN  ))
      4.800     2.900     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.31030E-03 ppm1      8.066 ppm2      7.174 CV     1
 ASSI {  730}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.27223E-02 ppm1      7.837 ppm2      6.923 CV     1
 ASSI {  731}
   (( segid "PAH3" and resid 500  and name HB1 ))
   (( segid "PAH3" and resid 502  and name HN  ))
      3.900     1.900     1.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.11421E-02 ppm1      7.827 ppm2      2.544 CV     1
 ASSI {  733}
   (  segid "PAH3" and resid 495  and name HG1%)
   (( segid "PAH3" and resid 495  and name HN  ))
      3.100     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.76857E-02 ppm1      7.825 ppm2      0.938 CV     1
 OR {  733}
   (  segid "PAH3" and resid 501  and name HD1%)
   (( segid "PAH3" and resid 502  and name HN  ))
 ASSI {  734}
   (  segid "PAH3" and resid 490  and name HD1%)
   (( segid "PAH3" and resid 495  and name HN  ))
      3.400     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.26218E-02 ppm1      7.831 ppm2      1.068 CV     1
 OR {  734}
   (  segid "PAH3" and resid 505  and name HG1%)
   (( segid "PAH3" and resid 502  and name HN  ))
 ASSI {  735}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 502  and name HN  ))
      3.000     3.000     3.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      7.840 ppm2      6.759 CV     1
 ASSI {  736}
   (  segid "PAH3" and resid 519  and name HE% )
   (( segid "PAH3" and resid 502  and name HN  ))
      2.900     2.900     3.100 peak   736 spectrum    1 weight  0.10000E+01 volume  0.17095E-02 ppm1      7.837 ppm2      7.026 CV     1
 ASSI {  737}
   (( segid "PAH3" and resid 483  and name HD22))
   (( segid "PAH3" and resid 483  and name HN  ))
      3.800     1.800     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.17455E-02 ppm1      7.845 ppm2      7.174 CV     1
 ASSI {  738}
   (( segid "PAH3" and resid 469  and name HA  ))
   (( segid "PAH3" and resid 473  and name HN  ))
      4.200     2.200     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.63425E-03 ppm1      7.382 ppm2      4.276 CV     1
 ASSI {  739}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 520  and name HN  ))
      4.600     2.600     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.75421E-03 ppm1      8.659 ppm2      7.307 CV     1
 ASSI {  740}
   (( segid "PAH3" and resid 518  and name HA  ))
   (( segid "PAH3" and resid 520  and name HN  ))
      4.500     2.500     1.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.46114E-03 ppm1      8.648 ppm2      4.010 CV     1
 ASSI {  743}
   (( segid "PAH3" and resid 488  and name HB2 ))
   (( segid "PAH3" and resid 488  and name HN  ))
      2.400     0.700     0.700 peak   743 spectrum    1 weight  0.10000E+01 volume  0.87632E-02 ppm1      6.950 ppm2      1.017 CV     1
 OR {  743}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 488  and name HN  ))
 ASSI {  744}
   (( segid "PAH3" and resid 517  and name HD21))
   (( segid "PAH3" and resid 517  and name HN  ))
      4.100     2.100     1.900 peak   744 spectrum    1 weight  0.10000E+01 volume  0.99843E-03 ppm1      9.084 ppm2      7.598 CV     1
 ASSI {  745}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 468  and name HN  ))
      4.900     3.000     1.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.47479E-03 ppm1      7.472 ppm2      7.158 CV     1
 ASSI {  747}
   (( segid "PAH3" and resid 465  and name HA  ))
   (( segid "PAH3" and resid 468  and name HN  ))
      3.500     1.600     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.17383E-02 ppm1      7.464 ppm2      4.319 CV     1
 ASSI {  748}
   (( segid "PAH3" and resid 466  and name HB1 ))
   (( segid "PAH3" and resid 468  and name HN  ))
      4.300     2.300     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      7.471 ppm2      1.755 CV     1
 OR {  748}
   (( segid "PAH3" and resid 471  and name HB  ))
   (( segid "PAH3" and resid 468  and name HN  ))
 ASSI {  750}
   (  segid "PAH3" and resid 490  and name HG2%)
   (( segid "PAH3" and resid 493  and name HN  ))
      4.700     2.700     1.300 peak   750 spectrum    1 weight  0.10000E+01 volume  0.76857E-03 ppm1      7.655 ppm2      1.361 CV     1
 ASSI {  751}
   (  segid "PAH3" and resid 495  and name HG2%)
   (( segid "PAH3" and resid 493  and name HN  ))
      4.600     2.600     1.400 peak   751 spectrum    1 weight  0.10000E+01 volume  0.65221E-03 ppm1      7.647 ppm2      0.287 CV     1
 ASSI {  752}
   (( segid "PAH3" and resid 474  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      3.600     1.600     1.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.20974E-02 ppm1      7.840 ppm2      3.704 CV     1
 ASSI {  753}
   (( segid "PAH3" and resid 471  and name HA  ))
   (( segid "PAH3" and resid 475  and name HN  ))
      3.600     1.700     1.700 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      7.838 ppm2      2.886 CV     1
 ASSI {  754}
   (  segid "PAH3" and resid 471  and name HG1%)
   (( segid "PAH3" and resid 475  and name HN  ))
      3.700     1.800     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1      7.839 ppm2      0.187 CV     1
 ASSI {  755}
   (( segid "PAH3" and resid 481  and name HB2 ))
   (( segid "PAH3" and resid 477  and name HN  ))
      3.600     1.700     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.43098E-03 ppm1      8.378 ppm2      2.976 CV     1
 ASSI {  756}
   (( segid "PAH3" and resid 483  and name HA  ))
   (( segid "PAH3" and resid 483  and name HD22))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      7.196 ppm2      4.506 CV     1
 OR {  756}
   (( segid "PAH3" and resid 480  and name HA  ))
   (( segid "PAH3" and resid 483  and name HD22))
 ASSI {  757}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HD22))
      4.900     3.000     1.100 peak   757 spectrum    1 weight  0.10000E+01 volume  0.51214E-03 ppm1      7.191 ppm2      2.758 CV     1
 ASSI {  758}
   (( segid "PAH3" and resid 483  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HD21))
      4.100     2.100     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.52148E-03 ppm1      7.778 ppm2      2.750 CV     1
 ASSI {  759}
   (( segid "PAH3" and resid 504  and name HB2 ))
   (( segid "PAH3" and resid 483  and name HD22))
      4.800     2.900     1.200 peak   759 spectrum    1 weight  0.10000E+01 volume  0.40224E-03 ppm1      7.188 ppm2      1.701 CV     1
 OR {  759}
   (( segid "PAH3" and resid 475  and name HB1 ))
   (( segid "PAH3" and resid 483  and name HD22))
 ASSI {  760}
   (  segid "PAH3" and resid 480  and name HB% )
   (( segid "PAH3" and resid 483  and name HD21))
      4.800     2.900     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.45468E-03 ppm1      7.784 ppm2      1.688 CV     1
 ASSI {  761}
   (( segid "PAH3" and resid 496  and name HN  ))
   (( segid "PAH3" and resid 494  and name HN  ))
      4.400     2.400     1.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.81885E-03 ppm1      8.036 ppm2      6.532 CV     1
 ASSI {  762}
   (( segid "PAH3" and resid 493  and name HB2 ))
   (( segid "PAH3" and resid 494  and name HN  ))
      4.800     2.900     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.29594E-03 ppm1      8.031 ppm2      1.503 CV     1
 ASSI {  763}
   (  segid "PAH3" and resid 475  and name HD1%)
   (( segid "PAH3" and resid 476  and name HN  ))
      4.500     2.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.94815E-03 ppm1      7.387 ppm2      0.975 CV     1
 ASSI {  764}
   (  segid "PAH3" and resid 474  and name HB% )
   (( segid "PAH3" and resid 476  and name HN  ))
      4.600     2.700     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.87632E-03 ppm1      7.379 ppm2      0.307 CV     1
 ASSI {  765}
   (( segid "PAH3" and resid 521  and name HA  ))
   (( segid "PAH3" and resid 521  and name HD21))
      4.000     2.000     2.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.66083E-03 ppm1      7.460 ppm2      4.332 CV     1
 ASSI {  766}
   (( segid "PAH3" and resid 493  and name HG2 ))
   (( segid "PAH3" and resid 493  and name HE22))
      4.100     2.100     1.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      7.029 ppm2      2.505 CV     1
 ASSI {  767}
   (  segid "PAH3" and resid 489  and name HG2%)
   (( segid "PAH3" and resid 493  and name HE22))
      3.400     1.500     1.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.30456E-02 ppm1      7.029 ppm2      1.014 CV     1
 ASSI {  768}
   (  segid "PAH3" and resid 505  and name HG2%)
   (( segid "PAH3" and resid 508  and name HN  ))
      2.500     0.800     0.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.11708E-01 ppm1      7.278 ppm2      1.040 CV     1
 OR {  768}
   (( segid "PAH3" and resid 507  and name HB2 ))
   (( segid "PAH3" and resid 508  and name HN  ))
 ASSI {  769}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (( segid "PAH3" and resid 508  and name HN  ))
      3.300     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.51645E-02 ppm1      7.315 ppm2      3.138 CV     1
 OR {  769}
   (( segid "PAH3" and resid 508  and name HB1 ))
   (( segid "PAH3" and resid 509  and name HN  ))
 ASSI {  770}
   (( segid "PAH3" and resid 520  and name HD1 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      3.700     1.800     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.28875E-02 ppm1      8.652 ppm2      1.292 CV     1
 ASSI {  771}
   (( segid "PAH3" and resid 520  and name HB1 ))
   (( segid "PAH3" and resid 520  and name HN  ))
      3.300     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.62851E-02 ppm1      8.652 ppm2      1.922 CV     1
 ASSI {  772}
   (( segid "PAH3" and resid 520  and name HB2 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      2.600     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.62132E-02 ppm1      8.064 ppm2      1.842 CV     1
 ASSI {  773}
   (( segid "PAH3" and resid 520  and name HG2 ))
   (( segid "PAH3" and resid 521  and name HN  ))
      5.200     3.400     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.50999E-03 ppm1      8.064 ppm2      0.937 CV     1
 ASSI {  774}
   (( segid "PAH3" and resid 470  and name HE1 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.400     1.500     1.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.25212E-02 ppm1      7.597 ppm2      2.807 CV     1
 ASSI {  775}
   (( segid "PAH3" and resid 470  and name HD2 ))
   (( segid "PAH3" and resid 470  and name HN  ))
      3.300     1.400     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.46617E-02 ppm1      7.599 ppm2      1.422 CV     1
 ASSI {    1}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "PAH3" and resid 483  and name HB1 ))
      3.400     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.15102E-02 ppm1      7.154 ppm2      3.105 CV     1
 OR {    1}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 491  and name HB2 ))
 ASSI {    2}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "PAH3" and resid 483  and name HB2 ))
      3.900     1.900     1.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.84360E-03 ppm1      7.155 ppm2      2.748 CV     1
 ASSI {    3}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      3.300     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.19173E-02 ppm1      7.014 ppm2      0.042 CV     1
 ASSI {    4}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
      3.300     1.400     1.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.30971E-02 ppm1      7.015 ppm2      0.544 CV     1
 ASSI {    5}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 509  and name HD2%)
      3.300     1.400     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.30381E-02 ppm1      7.137 ppm2      0.484 CV     1
 OR {    5}
   (  segid "PAH3" and resid 491  and name HE% )
   (  segid "PAH3" and resid 523  and name HD1%)
 ASSI {    6}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 471  and name HG2%)
      3.300     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14099E-02 ppm1      7.159 ppm2     -0.025 CV     1
 ASSI {    7}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 515  and name HD1%)
      3.300     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.30912E-02 ppm1      7.160 ppm2      0.715 CV     1
 ASSI {    8}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 465  and name HA  ))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.50675E-02 ppm1      7.584 ppm2      4.313 CV     1
 ASSI {    9}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HA  ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.76691E-02 ppm1      7.584 ppm2      3.692 CV     1
 ASSI {   10}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HB1 ))
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.39643E-02 ppm1      7.584 ppm2      3.592 CV     1
 ASSI {   11}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 468  and name HB2 ))
      2.700     0.900     0.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.37401E-02 ppm1      7.584 ppm2      2.976 CV     1
 ASSI {   12}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 488  and name HD1%)
      4.000     2.000     2.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.93209E-03 ppm1      7.585 ppm2      0.204 CV     1
 OR {   12}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
 ASSI {   13}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 471  and name HG2%)
      4.600     2.600     1.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.36163E-03 ppm1      7.586 ppm2     -0.023 CV     1
 ASSI {   16}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 484  and name HE% )
      2.600     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.57223E-02 ppm1      7.584 ppm2      6.949 CV     1
 ASSI {   17}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 488  and name HD1%)
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      7.436 ppm2      0.232 CV     1
 ASSI {   18}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.41236E-02 ppm1      6.923 ppm2      0.197 CV     1
 ASSI {   19}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 471  and name HA  ))
      3.800     1.800     1.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.18819E-02 ppm1      6.923 ppm2      2.869 CV     1
 OR {   19}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HD2 ))
 OR {   19}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HD1 ))
 ASSI {   20}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 475  and name HD2%)
      2.800     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.61942E-02 ppm1      6.924 ppm2      0.678 CV     1
 ASSI {   21}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HA  ))
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.84950E-02 ppm1      6.921 ppm2      4.124 CV     1
 ASSI {   22}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HB1 ))
      2.600     0.800     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.57341E-02 ppm1      6.925 ppm2      3.156 CV     1
 ASSI {   23}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 481  and name HB2 ))
      2.900     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.46840E-02 ppm1      6.924 ppm2      2.997 CV     1
 ASSI {   24}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 481  and name HE% )
      2.000     0.500     0.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.25367E-01 ppm1      6.930 ppm2      6.707 CV     1
 ASSI {   25}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 485  and name HD2%)
      3.400     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.19940E-02 ppm1      6.924 ppm2      0.469 CV     1
 OR {   25}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 485  and name HD2%)
 OR {   25}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 509  and name HD2%)
 OR {   25}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 515  and name HD2%)
 ASSI {   26}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 471  and name HG1%)
      3.200     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.37401E-02 ppm1      6.709 ppm2      0.198 CV     1
 ASSI {   27}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HB2 ))
      3.400     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      6.708 ppm2      1.003 CV     1
 ASSI {   28}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 471  and name HA  ))
      3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.30558E-02 ppm1      6.709 ppm2      2.869 CV     1
 OR {   28}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HD2 ))
 OR {   28}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HD1 ))
 ASSI {   29}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 475  and name HD2%)
      4.100     2.100     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.14512E-02 ppm1      6.709 ppm2      0.677 CV     1
 ASSI {   30}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 481  and name HA  ))
      4.100     2.100     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.16105E-02 ppm1      6.708 ppm2      4.127 CV     1
 ASSI {   31}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.000     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.25662E-02 ppm1      6.709 ppm2      0.540 CV     1
 ASSI {   32}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 485  and name HD2%)
      2.600     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.64302E-02 ppm1      6.710 ppm2      0.465 CV     1
 ASSI {   33}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HA  ))
      2.800     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.40292E-02 ppm1      6.832 ppm2      3.630 CV     1
 ASSI {   34}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      6.832 ppm2      0.200 CV     1
 ASSI {   35}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HB1 ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.32269E-02 ppm1      6.834 ppm2      3.172 CV     1
 ASSI {   36}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 484  and name HB2 ))
      3.400     1.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.14925E-02 ppm1      6.833 ppm2      2.239 CV     1
 ASSI {   37}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.900     1.900     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23892E-02 ppm1      6.833 ppm2      0.541 CV     1
 ASSI {   38}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 505  and name HA  ))
      4.400     2.400     1.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.58934E-03 ppm1      6.832 ppm2      4.887 CV     1
 ASSI {   39}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 505  and name HB  ))
      3.400     1.400     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      6.833 ppm2      2.562 CV     1
 ASSI {   40}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.600     1.600     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      6.834 ppm2      1.095 CV     1
 OR {   40}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 488  and name HG  ))
 ASSI {   41}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 505  and name HG2%)
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.33803E-02 ppm1      6.833 ppm2      1.037 CV     1
 ASSI {   43}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 471  and name HG2%)
      3.500     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.14276E-02 ppm1      6.946 ppm2     -0.023 CV     1
 OR {   43}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 471  and name HG2%)
 OR {   43}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 471  and name HG2%)
 ASSI {   44}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.400     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.20706E-02 ppm1      6.947 ppm2      0.541 CV     1
 OR {   44}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
 ASSI {   45}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 471  and name HG1%)
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.43065E-02 ppm1      6.948 ppm2      0.228 CV     1
 OR {   45}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 488  and name HD1%)
 ASSI {   46}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.14276E-02 ppm1      6.948 ppm2      0.037 CV     1
 ASSI {   47}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (( segid "PAH3" and resid 516  and name HA  ))
      4.300     2.300     1.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.73151E-03 ppm1      6.943 ppm2      4.886 CV     1
 OR {   47}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 505  and name HA  ))
 ASSI {   48}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 505  and name HB  ))
      3.600     1.600     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      6.947 ppm2      2.563 CV     1
 ASSI {   49}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.000     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.31443E-02 ppm1      6.948 ppm2      1.096 CV     1
 OR {   49}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 488  and name HG  ))
 ASSI {   50}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 505  and name HG2%)
      3.000     1.200     1.200 peak    50 spectrum    1 weight  0.10000E+01 volume  0.33213E-02 ppm1      6.948 ppm2      1.036 CV     1
 ASSI {   51}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 509  and name HD1%)
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.61942E-02 ppm1      6.947 ppm2      0.617 CV     1
 OR {   51}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 509  and name HD1%)
 ASSI {   52}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 485  and name HD2%)
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.34157E-02 ppm1      6.945 ppm2      0.478 CV     1
 OR {   52}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 485  and name HD2%)
 OR {   52}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 509  and name HD2%)
 OR {   52}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 515  and name HD2%)
 ASSI {   53}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HB2 ))
      3.100     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26665E-02 ppm1      7.222 ppm2      1.092 CV     1
 OR {   53}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 507  and name HB2 ))
 OR {   53}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
 ASSI {   54}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 475  and name HD1%)
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.78460E-02 ppm1      7.221 ppm2      0.991 CV     1
 ASSI {   55}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 475  and name HD2%)
      3.000     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.28671E-02 ppm1      7.224 ppm2      0.678 CV     1
 ASSI {   56}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 480  and name HB% )
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.31089E-02 ppm1      7.224 ppm2      1.661 CV     1
 ASSI {   57}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 505  and name HA  ))
      2.400     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.72561E-02 ppm1      7.226 ppm2      4.887 CV     1
 ASSI {   58}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 505  and name HB  ))
      4.500     2.500     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.98518E-03 ppm1      7.225 ppm2      2.565 CV     1
 ASSI {   59}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 508  and name HA  ))
      3.000     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.36635E-02 ppm1      7.224 ppm2      4.362 CV     1
 ASSI {   60}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 508  and name HB1 ))
      2.900     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      7.224 ppm2      3.146 CV     1
 ASSI {   61}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 508  and name HB2 ))
      3.300     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.16164E-02 ppm1      7.225 ppm2      2.966 CV     1
 ASSI {   62}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 480  and name HA  ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.22535E-02 ppm1      7.434 ppm2      4.485 CV     1
 ASSI {   63}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "PAH3" and resid 480  and name HB% )
      3.000     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.32859E-02 ppm1      7.436 ppm2      1.664 CV     1
 ASSI {   64}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 474  and name HB% )
      3.000     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.40882E-02 ppm1      7.206 ppm2      0.305 CV     1
 ASSI {   66}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 509  and name HA  ))
      2.800     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.38168E-02 ppm1      7.201 ppm2      4.479 CV     1
 ASSI {   67}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 509  and name HD2%)
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.37460E-02 ppm1      7.202 ppm2      0.482 CV     1
 ASSI {   68}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HB1 ))
      3.300     1.400     1.400 peak    68 spectrum    1 weight  0.10000E+01 volume  0.79640E-03 ppm1      7.206 ppm2      1.231 CV     1
 ASSI {   69}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HB2 ))
      3.400     1.400     1.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.18524E-02 ppm1      7.208 ppm2      1.119 CV     1
 OR {   69}
   (  segid "PAH3" and resid 508  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
 ASSI {   70}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HD1 ))
      3.200     1.300     1.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.25013E-02 ppm1      7.209 ppm2      1.480 CV     1
 OR {   70}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {   71}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 512  and name HA  ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.43360E-02 ppm1      7.201 ppm2      5.209 CV     1
 ASSI {   72}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 512  and name HB1 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.22653E-02 ppm1      7.205 ppm2      3.233 CV     1
 ASSI {   73}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 512  and name HB2 ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.27491E-02 ppm1      7.205 ppm2      3.099 CV     1
 ASSI {   74}
   (  segid "PAH3" and resid 512  and name HD% )
   (  segid "PAH3" and resid 515  and name HD2%)
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.31856E-02 ppm1      7.202 ppm2      0.448 CV     1
 ASSI {   75}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 474  and name HB% )
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.24423E-02 ppm1      7.277 ppm2      0.305 CV     1
 ASSI {   76}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 475  and name HD1%)
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.54509E-02 ppm1      7.277 ppm2      0.990 CV     1
 OR {   76}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (  segid "PAH3" and resid 496  and name HD1%)
 ASSI {   77}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HD1 ))
      3.200     1.300     1.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19114E-02 ppm1      7.277 ppm2      1.481 CV     1
 OR {   77}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HD2 ))
 ASSI {   78}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HE2 ))
      3.600     1.600     1.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.13922E-02 ppm1      7.277 ppm2      2.871 CV     1
 OR {   78}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HE1 ))
 ASSI {   79}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 512  and name HA  ))
      3.300     1.400     1.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.70791E-03 ppm1      7.282 ppm2      5.210 CV     1
 ASSI {   80}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 516  and name HA  ))
      2.500     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.76691E-02 ppm1      7.489 ppm2      4.876 CV     1
 ASSI {   81}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 516  and name HB1 ))
      3.400     1.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      7.485 ppm2      3.413 CV     1
 OR {   81}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 516  and name HB2 ))
 ASSI {   82}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 509  and name HD1%)
      2.900     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.65482E-02 ppm1      7.359 ppm2      0.619 CV     1
 OR {   82}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI {   83}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 505  and name HG1%)
      2.800     1.000     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.44127E-02 ppm1      7.360 ppm2      1.096 CV     1
 ASSI {   84}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 506  and name HA  ))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.31620E-02 ppm1      7.359 ppm2      3.832 CV     1
 ASSI {   85}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 506  and name HB2 ))
      3.300     1.400     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      7.361 ppm2      4.259 CV     1
 ASSI {   86}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 516  and name HA  ))
      3.800     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19940E-02 ppm1      7.360 ppm2      4.878 CV     1
 ASSI {   87}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (  segid "PAH3" and resid 502  and name HG2%)
      3.200     1.300     1.300 peak    87 spectrum    1 weight  0.10000E+01 volume  0.56220E-02 ppm1      7.455 ppm2      0.620 CV     1
 OR {   87}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 502  and name HG2%)
 ASSI {   88}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 507  and name HB2 ))
      3.400     1.400     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.23184E-02 ppm1      7.448 ppm2      1.097 CV     1
 OR {   88}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 490  and name HD1%)
 OR {   88}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 488  and name HG  ))
 OR {   88}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (  segid "PAH3" and resid 505  and name HG1%)
 ASSI {   89}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 488  and name HA  ))
      3.000     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.46014E-02 ppm1      7.453 ppm2      3.834 CV     1
 OR {   89}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 506  and name HA  ))
 ASSI {   90}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 506  and name HB2 ))
      2.800     1.000     1.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.35691E-02 ppm1      7.454 ppm2      4.262 CV     1
 ASSI {   91}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (  segid "PAH3" and resid 516  and name HE% )
      2.100     0.500     0.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.26252E-01 ppm1      7.455 ppm2      7.362 CV     1
 ASSI {   92}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (  segid "PAH3" and resid 463  and name HG2%)
      4.400     2.400     1.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.61942E-03 ppm1      7.053 ppm2      1.288 CV     1
 ASSI {   93}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 464  and name HG2 ))
      4.300     2.300     1.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.78460E-03 ppm1      7.056 ppm2      2.404 CV     1
 ASSI {   94}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HB1 ))
      4.000     2.000     2.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16754E-02 ppm1      7.216 ppm2      3.634 CV     1
 ASSI {   95}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HB2 ))
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.15456E-02 ppm1      7.216 ppm2      3.479 CV     1
 ASSI {   96}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 518  and name HZ3 ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.49082E-02 ppm1      6.164 ppm2      5.820 CV     1
 ASSI {   97}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 519  and name HA  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.55040E-02 ppm1      6.166 ppm2      3.888 CV     1
 ASSI {   98}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 488  and name HD2%)
      3.800     1.800     1.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      7.303 ppm2      0.041 CV     1
 ASSI {   99}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 502  and name HA  ))
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.60763E-02 ppm1      7.301 ppm2      3.575 CV     1
 OR {   99}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 520  and name HA  ))
 ASSI {  100}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      2.500     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.79050E-02 ppm1      7.298 ppm2      1.100 CV     1
 OR {  100}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HB2 ))
 ASSI {  101}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 523  and name HD1%)
      3.200     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.21178E-02 ppm1      7.302 ppm2      0.484 CV     1
 ASSI {  102}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HA  ))
      2.800     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.30263E-02 ppm1      7.299 ppm2      3.887 CV     1
 ASSI {  103}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HB1 ))
      2.800     1.000     1.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.36458E-02 ppm1      7.300 ppm2      3.620 CV     1
 OR {  103}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 519  and name HB2 ))
 ASSI {  104}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 523  and name HD2%)
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.32859E-02 ppm1      7.302 ppm2      0.357 CV     1
 ASSI {  105}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HA  ))
      2.500     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.83770E-02 ppm1      6.813 ppm2      3.810 CV     1
 ASSI {  106}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HB1 ))
      2.900     1.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.28788E-02 ppm1      6.814 ppm2      2.532 CV     1
 ASSI {  107}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HB2 ))
      3.400     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1      6.813 ppm2      1.944 CV     1
 ASSI {  108}
   (  segid "PAH3" and resid 522  and name HE% )
   (  segid "PAH3" and resid 522  and name HD% )
      2.100     0.500     0.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.25839E-01 ppm1      7.098 ppm2      6.815 CV     1
 ASSI {  109}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "PAH3" and resid 522  and name HZ  ))
      2.000     0.500     0.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.28729E-01 ppm1      7.095 ppm2      7.240 CV     1
 ASSI {  110}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 499  and name HA  ))
      3.200     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.27078E-02 ppm1      6.891 ppm2      3.985 CV     1
 ASSI {  111}
   (  segid "PAH3" and resid 525  and name HD% )
   (  segid "PAH3" and resid 499  and name HB% )
      3.300     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.24718E-02 ppm1      6.891 ppm2      1.559 CV     1
 OR {  111}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 526  and name HB2 ))
 ASSI {  112}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HA  ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.54509E-02 ppm1      6.888 ppm2      4.313 CV     1
 ASSI {  113}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HB1 ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.42416E-02 ppm1      6.889 ppm2      2.760 CV     1
 ASSI {  114}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 525  and name HB2 ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.42475E-02 ppm1      6.889 ppm2      2.556 CV     1
 ASSI {  115}
   (  segid "PAH3" and resid 525  and name HD% )
   (  segid "PAH3" and resid 525  and name HE% )
      1.900     0.500     0.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.40351E-01 ppm1      6.893 ppm2      6.735 CV     1
 ASSI {  116}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 498  and name HG1 ))
      4.500     2.500     1.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.66662E-03 ppm1      6.891 ppm2      2.230 CV     1
 OR {  116}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 527  and name HG1 ))
 ASSI {  117}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 499  and name HA  ))
      2.800     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.46014E-02 ppm1      6.735 ppm2      3.985 CV     1
 ASSI {  118}
   (  segid "PAH3" and resid 525  and name HE% )
   (  segid "PAH3" and resid 499  and name HB% )
      2.700     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.69612E-02 ppm1      6.735 ppm2      1.562 CV     1
 ASSI {  119}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 525  and name HA  ))
      4.300     2.300     1.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.77281E-03 ppm1      6.733 ppm2      4.314 CV     1
 ASSI {  121}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 481  and name HA  ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.21178E-02 ppm1      6.733 ppm2      4.111 CV     1
 OR {  121}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HA  ))
 ASSI {  122}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HG1 ))
      3.500     1.600     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.15456E-02 ppm1      6.736 ppm2      2.224 CV     1
 OR {  122}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HG2 ))
 OR {  122}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 484  and name HB2 ))
 ASSI {  123}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 501  and name HD2%)
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      7.301 ppm2      0.542 CV     1
 ASSI {  124}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 502  and name HG2%)
      2.700     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.46899E-02 ppm1      7.303 ppm2      0.618 CV     1
 OR {  124}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 509  and name HD1%)
 ASSI {  125}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 502  and name HG1%)
      2.900     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.35455E-02 ppm1      7.303 ppm2      0.726 CV     1
 ASSI {  126}
   (  segid "PAH3" and resid 516  and name HE% )
   (  segid "PAH3" and resid 502  and name HG1%)
      3.400     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      7.358 ppm2      0.725 CV     1
 ASSI {  127}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 518  and name HE3 ))
      4.000     2.000     2.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.12919E-02 ppm1      7.304 ppm2      6.167 CV     1
 ASSI {  128}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 467  and name HD% )
      2.900     2.900     3.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.17521E-02 ppm1      7.305 ppm2      5.887 CV     1
 ASSI {  129}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 518  and name HZ3 ))
      3.500     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      7.302 ppm2      5.822 CV     1
 ASSI {  130}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 516  and name HA  ))
      3.800     1.800     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      7.301 ppm2      4.882 CV     1
 ASSI {  131}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 501  and name HG  ))
      4.100     2.100     1.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      7.302 ppm2      1.575 CV     1
 OR {  131}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 523  and name HB1 ))
 ASSI {  132}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14099E-02 ppm1      7.014 ppm2      1.095 CV     1
 ASSI {  133}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 501  and name HD1%)
      4.100     2.100     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.84950E-03 ppm1      7.016 ppm2      0.884 CV     1
 ASSI {  134}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 501  and name HD1%)
      4.600     2.700     1.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.49731E-03 ppm1      7.302 ppm2      0.882 CV     1
 ASSI {  135}
   (  segid "PAH3" and resid 519  and name HE% )
   (  segid "PAH3" and resid 523  and name HD2%)
      4.400     2.400     1.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.37106E-03 ppm1      7.019 ppm2      0.357 CV     1
 ASSI {  136}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 488  and name HD2%)
      4.300     2.300     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.44009E-03 ppm1      7.440 ppm2      0.041 CV     1
 ASSI {  137}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 485  and name HD1%)
      4.100     2.100     1.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.87309E-03 ppm1      7.439 ppm2      0.543 CV     1
 OR {  137}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
 ASSI {  138}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 488  and name HD1%)
      4.000     2.000     2.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.85540E-03 ppm1      7.585 ppm2      0.233 CV     1
 ASSI {  139}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 467  and name HD% )
      2.100     0.600     0.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.16872E-01 ppm1      7.158 ppm2      5.890 CV     1
 ASSI {  141}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 518  and name HZ3 ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.15692E-02 ppm1      7.054 ppm2      5.821 CV     1
 ASSI {  142}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 518  and name HH2 ))
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10796E-01 ppm1      7.054 ppm2      5.951 CV     1
 ASSI {  143}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 467  and name HD% )
      3.300     1.400     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.36104E-02 ppm1      6.941 ppm2      5.889 CV     1
 OR {  143}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 467  and name HD% )
 ASSI {  144}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (  segid "PAH3" and resid 467  and name HE% )
      2.300     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.13686E-01 ppm1      6.944 ppm2      7.159 CV     1
 OR {  144}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 467  and name HE% )
 ASSI {  145}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 468  and name HE% )
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.93799E-02 ppm1      6.947 ppm2      7.437 CV     1
 ASSI {  149}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 468  and name HE% )
      3.400     1.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.24305E-02 ppm1      6.832 ppm2      7.435 CV     1
 OR {  149}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 508  and name HE% )
 ASSI {  150}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 468  and name HD% )
      4.400     2.400     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.77871E-03 ppm1      6.831 ppm2      7.584 CV     1
 ASSI {  151}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 468  and name HD% )
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.25898E-02 ppm1      6.711 ppm2      7.585 CV     1
 ASSI {  152}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      4.500     2.500     1.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.57164E-03 ppm1      7.584 ppm2      0.539 CV     1
 ASSI {  153}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 491  and name HA  ))
      3.800     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.77871E-03 ppm1      7.455 ppm2      4.447 CV     1
 ASSI {  154}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 501  and name HD2%)
      4.100     2.100     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.50734E-03 ppm1      7.461 ppm2      0.542 CV     1
 ASSI {  155}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 463  and name HB  ))
      3.700     1.700     1.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.93209E-03 ppm1      7.053 ppm2      4.459 CV     1
 ASSI {  156}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 464  and name HA  ))
      2.900     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.38227E-02 ppm1      7.053 ppm2      4.069 CV     1
 ASSI {  157}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (( segid "PAH3" and resid 464  and name HG1 ))
      5.000     3.100     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.26193E-03 ppm1      7.052 ppm2      2.639 CV     1
 ASSI {  158}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 464  and name HA  ))
      4.100     2.100     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.52622E-03 ppm1      7.585 ppm2      4.073 CV     1
 ASSI {  159}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 465  and name HB1 ))
      5.200     3.300     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.29142E-03 ppm1      7.583 ppm2      3.996 CV     1
 ASSI {  160}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 467  and name HA  ))
      3.900     1.900     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.19409E-02 ppm1      7.585 ppm2      3.548 CV     1
 ASSI {  161}
   (  segid "PAH3" and resid 468  and name HD% )
   (( segid "PAH3" and resid 471  and name HB  ))
      4.200     2.200     1.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.55925E-03 ppm1      7.584 ppm2      1.761 CV     1
 ASSI {  162}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 467  and name HD% )
      3.100     1.200     1.200 peak   162 spectrum    1 weight  0.10000E+01 volume  0.23479E-02 ppm1      7.588 ppm2      5.888 CV     1
 ASSI {  163}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 488  and name HA  ))
      3.500     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.21001E-02 ppm1      7.492 ppm2      3.835 CV     1
 OR {  163}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 506  and name HA  ))
 ASSI {  164}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 519  and name HB1 ))
      3.700     1.700     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.10619E-02 ppm1      7.493 ppm2      3.631 CV     1
 OR {  164}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 519  and name HB2 ))
 ASSI {  165}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 502  and name HA  ))
      3.700     1.700     1.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      7.488 ppm2      3.576 CV     1
 OR {  165}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 520  and name HA  ))
 ASSI {  166}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 510  and name HA2 ))
      3.100     3.100     2.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      7.484 ppm2      3.452 CV     1
 OR {  166}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 518  and name HB2 ))
 ASSI {  167}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 516  and name HB1 ))
      5.000     3.100     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.38050E-03 ppm1      7.358 ppm2      3.448 CV     1
 OR {  167}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 516  and name HB2 ))
 ASSI {  169}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 509  and name HG  ))
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.61942E-03 ppm1      7.487 ppm2      1.393 CV     1
 OR {  169}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 520  and name HG1 ))
 ASSI {  170}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 505  and name HG1%)
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      7.487 ppm2      1.096 CV     1
 OR {  170}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 490  and name HD1%)
 ASSI {  171}
   (  segid "PAH3" and resid 516  and name HD% )
   (( segid "PAH3" and resid 509  and name HB1 ))
      4.600     2.600     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.41531E-03 ppm1      7.485 ppm2      1.160 CV     1
 ASSI {  172}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (  segid "PAH3" and resid 502  and name HG1%)
      3.900     1.900     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.66662E-03 ppm1      7.447 ppm2      0.727 CV     1
 ASSI {  173}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 502  and name HG1%)
      4.100     2.100     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.10855E-02 ppm1      7.487 ppm2      0.725 CV     1
 ASSI {  174}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 509  and name HD1%)
      2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.57695E-02 ppm1      7.488 ppm2      0.619 CV     1
 ASSI {  175}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 523  and name HD1%)
      3.900     1.900     1.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.52622E-03 ppm1      7.490 ppm2      0.485 CV     1
 OR {  175}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 509  and name HD2%)
 ASSI {  176}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 505  and name HA  ))
      3.400     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      7.437 ppm2      4.887 CV     1
 ASSI {  177}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 492  and name HA  ))
      3.600     1.600     1.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.91439E-03 ppm1      7.444 ppm2      4.365 CV     1
 ASSI {  178}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 468  and name HA  ))
      3.800     1.800     1.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.11563E-02 ppm1      7.439 ppm2      3.692 CV     1
 OR {  178}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 507  and name HD2 ))
 ASSI {  179}
   (  segid "PAH3" and resid 516  and name HE% )
   (( segid "PAH3" and resid 502  and name HA  ))
      3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.34098E-02 ppm1      7.358 ppm2      3.578 CV     1
 ASSI {  180}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 519  and name HB1 ))
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.15810E-02 ppm1      7.438 ppm2      3.632 CV     1
 OR {  180}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 519  and name HB2 ))
 OR {  180}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 518  and name HB1 ))
 OR {  180}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 519  and name HB2 ))
 OR {  180}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 484  and name HA  ))
 OR {  180}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 519  and name HB1 ))
 ASSI {  181}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 468  and name HB1 ))
      3.600     1.700     1.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      7.446 ppm2      3.575 CV     1
 OR {  181}
   (( segid "PAH3" and resid 516  and name HZ  ))
   (( segid "PAH3" and resid 502  and name HA  ))
 ASSI {  184}
   (  segid "PAH3" and resid 468  and name HE% )
   (( segid "PAH3" and resid 488  and name HB2 ))
      4.000     2.000     2.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.74331E-03 ppm1      7.440 ppm2      1.029 CV     1
 OR {  184}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 505  and name HG2%)
 OR {  184}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "PAH3" and resid 505  and name HG2%)
 ASSI {  185}
   (  segid "PAH3" and resid 491  and name HD% )
   (  segid "PAH3" and resid 496  and name HD1%)
      3.900     1.900     1.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.12919E-02 ppm1      7.441 ppm2      0.984 CV     1
 ASSI {  186}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 509  and name HA  ))
      4.100     2.100     1.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.11091E-02 ppm1      7.277 ppm2      4.480 CV     1
 ASSI {  187}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (( segid "PAH3" and resid 480  and name HA  ))
      4.100     2.100     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      7.155 ppm2      4.490 CV     1
 ASSI {  188}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 474  and name HA  ))
      3.500     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.19350E-02 ppm1      7.283 ppm2      3.693 CV     1
 ASSI {  189}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HE2 ))
      3.500     1.600     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.19409E-02 ppm1      7.209 ppm2      2.871 CV     1
 OR {  189}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 511  and name HE1 ))
 OR {  189}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 471  and name HA  ))
 OR {  189}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 511  and name HE2 ))
 ASSI {  190}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 498  and name HG1 ))
      3.600     1.600     1.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.93799E-03 ppm1      7.223 ppm2      2.239 CV     1
 OR {  190}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 501  and name HB1 ))
 OR {  190}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 513  and name HG1 ))
 OR {  190}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 484  and name HB2 ))
 ASSI {  191}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 501  and name HG  ))
      3.900     1.900     1.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.13214E-02 ppm1      7.302 ppm2      1.603 CV     1
 ASSI {  192}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 511  and name HB1 ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      7.282 ppm2      1.234 CV     1
 OR {  192}
   (  segid "PAH3" and resid 519  and name HD% )
   (( segid "PAH3" and resid 520  and name HD2 ))
 ASSI {  193}
   (  segid "PAH3" and resid 525  and name HE% )
   (  segid "PAH3" and resid 502  and name HG1%)
      3.000     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12742E-02 ppm1      6.735 ppm2      0.726 CV     1
 ASSI {  194}
   (  segid "PAH3" and resid 525  and name HE% )
   (  segid "PAH3" and resid 502  and name HG2%)
      2.900     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.18642E-02 ppm1      6.736 ppm2      0.620 CV     1
 ASSI {  195}
   (  segid "PAH3" and resid 525  and name HD% )
   (  segid "PAH3" and resid 502  and name HG1%)
      3.200     1.300     1.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      6.891 ppm2      0.728 CV     1
 ASSI {  196}
   (  segid "PAH3" and resid 525  and name HD% )
   (  segid "PAH3" and resid 502  and name HG2%)
      3.300     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.16164E-02 ppm1      6.893 ppm2      0.617 CV     1
 ASSI {  197}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 475  and name HD2%)
      3.900     1.900     1.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12094E-02 ppm1      6.833 ppm2      0.675 CV     1
 ASSI {  198}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 509  and name HD1%)
      4.100     2.100     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.72561E-03 ppm1      6.834 ppm2      0.612 CV     1
 ASSI {  199}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 485  and name HG  ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.11504E-02 ppm1      6.834 ppm2      1.206 CV     1
 ASSI {  201}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 481  and name HA  ))
      4.000     2.000     2.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.89079E-03 ppm1      6.835 ppm2      4.119 CV     1
 ASSI {  202}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 485  and name HD2%)
      3.000     1.100     1.100 peak   202 spectrum    1 weight  0.10000E+01 volume  0.23833E-02 ppm1      6.814 ppm2      0.482 CV     1
 ASSI {  203}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 523  and name HG  ))
      3.600     1.600     1.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.15338E-02 ppm1      6.815 ppm2      1.371 CV     1
 OR {  203}
   (  segid "PAH3" and resid 484  and name HD% )
   (( segid "PAH3" and resid 509  and name HG  ))
 ASSI {  204}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 472  and name HA  ))
      3.400     1.500     1.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.20824E-02 ppm1      6.709 ppm2      3.094 CV     1
 ASSI {  205}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 471  and name HB  ))
      2.900     1.000     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.30263E-02 ppm1      6.713 ppm2      1.767 CV     1
 ASSI {  206}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 468  and name HA  ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.93799E-03 ppm1      6.710 ppm2      3.695 CV     1
 ASSI {  207}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 481  and name HB2 ))
      4.200     2.200     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.92619E-03 ppm1      6.709 ppm2      2.974 CV     1
 ASSI {  208}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 481  and name HB1 ))
      4.100     2.100     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.11917E-02 ppm1      6.705 ppm2      3.161 CV     1
 OR {  208}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 484  and name HB1 ))
 ASSI {  209}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 527  and name HB2 ))
      3.900     1.900     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.72561E-03 ppm1      6.735 ppm2      1.849 CV     1
 ASSI {  210}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 502  and name HB  ))
      3.600     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      6.733 ppm2      1.913 CV     1
 ASSI {  211}
   (  segid "PAH3" and resid 481  and name HE% )
   (( segid "PAH3" and resid 485  and name HG  ))
      3.800     1.800     1.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.90849E-03 ppm1      6.712 ppm2      1.217 CV     1
 ASSI {  212}
   (  segid "PAH3" and resid 525  and name HE% )
   (( segid "PAH3" and resid 520  and name HE2 ))
      3.800     1.800     1.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.53388E-03 ppm1      6.737 ppm2      1.646 CV     1
 OR {  212}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 480  and name HB% )
 ASSI {  214}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 472  and name HA  ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.56043E-02 ppm1      6.922 ppm2      3.097 CV     1
 ASSI {  215}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 478  and name HA  ))
      3.500     1.600     1.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      6.924 ppm2      4.194 CV     1
 ASSI {  216}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 520  and name HA  ))
      3.000     3.000     3.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      6.889 ppm2      3.587 CV     1
 OR {  216}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 502  and name HA  ))
 ASSI {  217}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (( segid "PAH3" and resid 519  and name HB2 ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.29378E-02 ppm1      6.945 ppm2      3.637 CV     1
 OR {  217}
   (( segid "PAH3" and resid 467  and name HZ  ))
   (( segid "PAH3" and resid 519  and name HB1 ))
 OR {  217}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 484  and name HA  ))
 ASSI {  218}
   (  segid "PAH3" and resid 484  and name HE% )
   (( segid "PAH3" and resid 468  and name HA  ))
      3.700     1.800     1.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      6.944 ppm2      3.687 CV     1
 OR {  218}
   (  segid "PAH3" and resid 481  and name HD% )
   (( segid "PAH3" and resid 468  and name HA  ))
 ASSI {  219}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 527  and name HB2 ))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.40705E-03 ppm1      6.891 ppm2      1.853 CV     1
 ASSI {  220}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 520  and name HB1 ))
      3.800     1.800     1.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.10914E-02 ppm1      6.891 ppm2      1.921 CV     1
 OR {  220}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 502  and name HB  ))
 ASSI {  221}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 520  and name HD2 ))
      3.700     1.700     1.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.12801E-02 ppm1      6.889 ppm2      1.218 CV     1
 ASSI {  222}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 520  and name HD1 ))
      3.500     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.10619E-02 ppm1      6.888 ppm2      1.269 CV     1
 ASSI {  223}
   (  segid "PAH3" and resid 525  and name HD% )
   (( segid "PAH3" and resid 520  and name HG1 ))
      3.400     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.65482E-03 ppm1      6.888 ppm2      1.377 CV     1
 ASSI {  229}
   (  segid "PAH3" and resid 481  and name HD% )
   (  segid "PAH3" and resid 485  and name HD1%)
      3.700     1.700     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.11858E-02 ppm1      6.925 ppm2      0.538 CV     1
 OR {  229}
   (  segid "PAH3" and resid 484  and name HE% )
   (  segid "PAH3" and resid 501  and name HD2%)
 ASSI {  231}
   (( segid "PAH3" and resid 468  and name HZ  ))
   (  segid "PAH3" and resid 488  and name HD2%)
      4.800     2.900     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.59583E-03 ppm1      7.532 ppm2      0.041 CV     1
 ASSI {  232}
   (( segid "PAH3" and resid 468  and name HZ  ))
   (  segid "PAH3" and resid 488  and name HD1%)
      3.900     1.900     1.900 peak   232 spectrum    1 weight  0.10000E+01 volume  0.93209E-03 ppm1      7.528 ppm2      0.228 CV     1
 ASSI {  233}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HA  ))
      2.900     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.52740E-02 ppm1      7.218 ppm2      4.016 CV     1
 ASSI {  234}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 475  and name HA  ))
      3.400     1.500     1.500 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17049E-02 ppm1      7.216 ppm2      4.137 CV     1
 OR {  234}
   (  segid "PAH3" and resid 512  and name HD% )
   (( segid "PAH3" and resid 475  and name HA  ))
 ASSI {  235}
   (  segid "PAH3" and resid 512  and name HE% )
   (( segid "PAH3" and resid 475  and name HA  ))
      3.500     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.11209E-02 ppm1      7.278 ppm2      4.136 CV     1
 ASSI {  236}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 498  and name HA  ))
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.33744E-02 ppm1      7.249 ppm2      4.017 CV     1
 OR {  236}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 518  and name HA  ))
 ASSI {  237}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 498  and name HA  ))
      3.500     1.500     1.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.11209E-02 ppm1      7.133 ppm2      4.014 CV     1
 ASSI {  238}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 498  and name HG1 ))
      3.300     1.400     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.16341E-02 ppm1      7.249 ppm2      2.254 CV     1
 OR {  238}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 501  and name HB1 ))
 ASSI {  239}
   (( segid "PAH3" and resid 491  and name HZ  ))
   (( segid "PAH3" and resid 498  and name HG2 ))
      3.300     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20765E-02 ppm1      7.249 ppm2      1.729 CV     1
 OR {  239}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 475  and name HB1 ))
 OR {  239}
   (( segid "PAH3" and resid 518  and name HD1 ))
   (( segid "PAH3" and resid 466  and name HB1 ))
 ASSI {  240}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 501  and name HB1 ))
      4.100     2.100     1.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.80820E-03 ppm1      7.136 ppm2      2.257 CV     1
 OR {  240}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 498  and name HG1 ))
 ASSI {  241}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 498  and name HG2 ))
      4.500     2.500     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.79640E-03 ppm1      7.137 ppm2      1.731 CV     1
 OR {  241}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 500  and name HB2 ))
 ASSI {  242}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 484  and name HD% )
      3.400     1.400     1.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.30499E-02 ppm1      7.441 ppm2      6.831 CV     1
 OR {  242}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 522  and name HD% )
 ASSI {  243}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 484  and name HE% )
      2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.91439E-02 ppm1      7.439 ppm2      6.947 CV     1
 ASSI {  244}
   (  segid "PAH3" and resid 519  and name HD% )
   (  segid "PAH3" and resid 522  and name HD% )
      3.000     1.100     1.100 peak   244 spectrum    1 weight  0.10000E+01 volume  0.35219E-02 ppm1      7.311 ppm2      6.818 CV     1
 ASSI {  245}
   (  segid "PAH3" and resid 508  and name HE% )
   (  segid "PAH3" and resid 508  and name HD% )
      1.800     0.400     0.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.42239E-01 ppm1      7.438 ppm2      7.229 CV     1
 ASSI {  246}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 508  and name HZ  ))
      2.100     0.500     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.21591E-01 ppm1      7.440 ppm2      7.156 CV     1
 ASSI {  247}
   (  segid "PAH3" and resid 516  and name HD% )
   (  segid "PAH3" and resid 516  and name HE% )
      2.000     0.500     0.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.33154E-01 ppm1      7.487 ppm2      7.362 CV     1
 ASSI {  248}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 468  and name HE% )
      2.000     0.500     0.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.25308E-01 ppm1      7.585 ppm2      7.438 CV     1
 ASSI {  249}
   (  segid "PAH3" and resid 512  and name HE% )
   (  segid "PAH3" and resid 512  and name HD% )
      1.600     0.300     0.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.10206E+00 ppm1      7.275 ppm2      7.213 CV     1
 ASSI {  250}
   (( segid "PAH3" and resid 522  and name HZ  ))
   (  segid "PAH3" and resid 522  and name HD% )
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.53035E-02 ppm1      7.235 ppm2      6.825 CV     1
 ASSI {  251}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 467  and name HZ  ))
      2.200     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.15397E-01 ppm1      7.159 ppm2      6.945 CV     1
 OR {  251}
   (  segid "PAH3" and resid 467  and name HE% )
   (  segid "PAH3" and resid 484  and name HE% )
 ASSI {  252}
   (  segid "PAH3" and resid 468  and name HE% )
   (  segid "PAH3" and resid 467  and name HD% )
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.19586E-02 ppm1      7.441 ppm2      5.889 CV     1
 ASSI {  253}
   (  segid "PAH3" and resid 491  and name HD% )
   (( segid "PAH3" and resid 491  and name HB2 ))
      3.300     1.300     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.18052E-02 ppm1      7.443 ppm2      3.115 CV     1
 OR {  253}
   (  segid "PAH3" and resid 508  and name HE% )
   (( segid "PAH3" and resid 483  and name HB1 ))
 ASSI {  254}
   (  segid "PAH3" and resid 468  and name HD% )
   (  segid "PAH3" and resid 467  and name HE% )
      3.400     1.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.15574E-02 ppm1      7.583 ppm2      7.164 CV     1
 ASSI {  255}
   (( segid "PAH3" and resid 518  and name HZ2 ))
   (  segid "PAH3" and resid 467  and name HD% )
      3.600     1.600     1.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.22122E-02 ppm1      7.053 ppm2      5.892 CV     1
 ASSI {  256}
   (  segid "PAH3" and resid 508  and name HD% )
   (( segid "PAH3" and resid 507  and name HD2 ))
      2.800     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.27845E-02 ppm1      7.212 ppm2      3.691 CV     1
 ASSI {  257}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 519  and name HB2 ))
      3.300     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.15751E-02 ppm1      7.158 ppm2      3.627 CV     1
 OR {  257}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 519  and name HB1 ))
 OR {  257}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 518  and name HB1 ))
 ASSI {  258}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 468  and name HA  ))
      3.700     1.700     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.10442E-02 ppm1      7.160 ppm2      3.692 CV     1
 OR {  258}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 523  and name HA  ))
 ASSI {  259}
   (  segid "PAH3" and resid 522  and name HE% )
   (( segid "PAH3" and resid 522  and name HA  ))
      3.600     1.600     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.49613E-03 ppm1      7.105 ppm2      3.816 CV     1
 ASSI {  260}
   (  segid "PAH3" and resid 491  and name HE% )
   (( segid "PAH3" and resid 491  and name HB1 ))
      4.500     2.600     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.74921E-03 ppm1      7.163 ppm2      3.530 CV     1
 OR {  260}
   (  segid "PAH3" and resid 467  and name HE% )
   (( segid "PAH3" and resid 467  and name HA  ))
 ASSI {  261}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 488  and name HD1%)
      4.200     2.200     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.56220E-03 ppm1      6.831 ppm2      0.231 CV     1
 ASSI {  262}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 519  and name HB2 ))
      5.000     3.100     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.35632E-03 ppm1      6.164 ppm2      3.608 CV     1
 OR {  262}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 519  and name HB1 ))
 ASSI {  263}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 518  and name HH2 ))
      4.900     3.000     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.39584E-03 ppm1      6.167 ppm2      5.952 CV     1
 ASSI {  264}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (  segid "PAH3" and resid 519  and name HD% )
      4.000     2.000     2.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.14040E-02 ppm1      6.163 ppm2      7.301 CV     1
 ASSI {  265}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 467  and name HZ  ))
      4.200     2.200     1.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.67252E-03 ppm1      6.164 ppm2      6.941 CV     1
 ASSI {  266}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (  segid "PAH3" and resid 467  and name HE% )
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.68432E-03 ppm1      6.169 ppm2      7.155 CV     1
 ASSI {  267}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (  segid "PAH3" and resid 522  and name HD% )
      4.900     3.000     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40233E-03 ppm1      6.158 ppm2      6.820 CV     1
 ASSI {  268}
   (( segid "PAH3" and resid 518  and name HE3 ))
   (( segid "PAH3" and resid 518  and name HD1 ))
      3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.38581E-03 ppm1      6.160 ppm2      7.214 CV     1
 ASSI {  269}
   (( segid "PAH3" and resid 468  and name HZ  ))
   (  segid "PAH3" and resid 484  and name HE% )
      3.900     1.900     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.19291E-02 ppm1      7.527 ppm2      6.945 CV     1
 ASSI {  272}
   (( segid "PAH3" and resid 508  and name HZ  ))
   (  segid "PAH3" and resid 508  and name HE% )
      2.200     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17993E-01 ppm1      7.149 ppm2      7.436 CV     1
 ASSI {  273}
   (  segid "PAH3" and resid 484  and name HD% )
   (  segid "PAH3" and resid 484  and name HE% )
      1.900     0.400     0.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.38050E-01 ppm1      6.831 ppm2      6.947 CV     1
 ASSI {  274}
   (  segid "PAH3" and resid 481  and name HE% )
   (  segid "PAH3" and resid 481  and name HD% )
      2.000     0.500     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.27196E-01 ppm1      6.705 ppm2      6.929 CV     1
 ASSI {  276}
   (  segid "PAH3" and resid 522  and name HD% )
   (( segid "PAH3" and resid 522  and name HZ  ))
      3.200     1.200     1.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.49436E-02 ppm1      6.820 ppm2      7.233 CV     1
assign (resid 462 and name C   and segid PAH3) (resid 463 and name N   and segid PAH3)
       (resid 463 and name CA  and segid PAH3) (resid 463 and name C   and segid PAH3) 1.0  -63.0   27.0 2
assign (resid 463 and name C   and segid PAH3) (resid 464 and name N   and segid PAH3)
       (resid 464 and name CA  and segid PAH3) (resid 464 and name C   and segid PAH3) 1.0  -60.0    9.0 2
assign (resid 464 and name C   and segid PAH3) (resid 465 and name N   and segid PAH3)
       (resid 465 and name CA  and segid PAH3) (resid 465 and name C   and segid PAH3) 1.0  -64.0   18.0 2
assign (resid 465 and name C   and segid PAH3) (resid 466 and name N   and segid PAH3)
       (resid 466 and name CA  and segid PAH3) (resid 466 and name C   and segid PAH3) 1.0  -67.0   21.0 2
assign (resid 466 and name C   and segid PAH3) (resid 467 and name N   and segid PAH3)
       (resid 467 and name CA  and segid PAH3) (resid 467 and name C   and segid PAH3) 1.0  -65.0   12.0 2
assign (resid 467 and name C   and segid PAH3) (resid 468 and name N   and segid PAH3)
       (resid 468 and name CA  and segid PAH3) (resid 468 and name C   and segid PAH3) 1.0  -62.0   21.0 2
assign (resid 468 and name C   and segid PAH3) (resid 469 and name N   and segid PAH3)
       (resid 469 and name CA  and segid PAH3) (resid 469 and name C   and segid PAH3) 1.0  -63.0   18.0 2
assign (resid 469 and name C   and segid PAH3) (resid 470 and name N   and segid PAH3)
       (resid 470 and name CA  and segid PAH3) (resid 470 and name C   and segid PAH3) 1.0  -66.0   15.0 2
assign (resid 470 and name C   and segid PAH3) (resid 471 and name N   and segid PAH3)
       (resid 471 and name CA  and segid PAH3) (resid 471 and name C   and segid PAH3) 1.0  -66.0   15.0 2
assign (resid 471 and name C   and segid PAH3) (resid 472 and name N   and segid PAH3)
       (resid 472 and name CA  and segid PAH3) (resid 472 and name C   and segid PAH3) 1.0  -58.0   15.0 2
assign (resid 472 and name C   and segid PAH3) (resid 473 and name N   and segid PAH3)
       (resid 473 and name CA  and segid PAH3) (resid 473 and name C   and segid PAH3) 1.0  -66.0   21.0 2
assign (resid 473 and name C   and segid PAH3) (resid 474 and name N   and segid PAH3)
       (resid 474 and name CA  and segid PAH3) (resid 474 and name C   and segid PAH3) 1.0  -67.0   21.0 2
assign (resid 474 and name C   and segid PAH3) (resid 475 and name N   and segid PAH3)
       (resid 475 and name CA  and segid PAH3) (resid 475 and name C   and segid PAH3) 1.0  -70.0   30.0 2
assign (resid 477 and name C   and segid PAH3) (resid 478 and name N   and segid PAH3)
       (resid 478 and name CA  and segid PAH3) (resid 478 and name C   and segid PAH3) 1.0  -58.0   15.0 2
assign (resid 478 and name C   and segid PAH3) (resid 479 and name N   and segid PAH3)
       (resid 479 and name CA  and segid PAH3) (resid 479 and name C   and segid PAH3) 1.0  -60.0   15.0 2
assign (resid 479 and name C   and segid PAH3) (resid 480 and name N   and segid PAH3)
       (resid 480 and name CA  and segid PAH3) (resid 480 and name C   and segid PAH3) 1.0  -65.0   21.0 2
assign (resid 480 and name C   and segid PAH3) (resid 481 and name N   and segid PAH3)
       (resid 481 and name CA  and segid PAH3) (resid 481 and name C   and segid PAH3) 1.0  -66.0   15.0 2
assign (resid 481 and name C   and segid PAH3) (resid 482 and name N   and segid PAH3)
       (resid 482 and name CA  and segid PAH3) (resid 482 and name C   and segid PAH3) 1.0  -59.0   21.0 2
assign (resid 482 and name C   and segid PAH3) (resid 483 and name N   and segid PAH3)
       (resid 483 and name CA  and segid PAH3) (resid 483 and name C   and segid PAH3) 1.0  -67.0   24.0 2
assign (resid 483 and name C   and segid PAH3) (resid 484 and name N   and segid PAH3)
       (resid 484 and name CA  and segid PAH3) (resid 484 and name C   and segid PAH3) 1.0  -63.0   15.0 2
assign (resid 484 and name C   and segid PAH3) (resid 485 and name N   and segid PAH3)
       (resid 485 and name CA  and segid PAH3) (resid 485 and name C   and segid PAH3) 1.0  -64.0   12.0 2
assign (resid 485 and name C   and segid PAH3) (resid 486 and name N   and segid PAH3)
       (resid 486 and name CA  and segid PAH3) (resid 486 and name C   and segid PAH3) 1.0  -64.0   12.0 2
assign (resid 486 and name C   and segid PAH3) (resid 487 and name N   and segid PAH3)
       (resid 487 and name CA  and segid PAH3) (resid 487 and name C   and segid PAH3) 1.0  -63.0   15.0 2
assign (resid 487 and name C   and segid PAH3) (resid 488 and name N   and segid PAH3)
       (resid 488 and name CA  and segid PAH3) (resid 488 and name C   and segid PAH3) 1.0  -64.0   15.0 2
assign (resid 488 and name C   and segid PAH3) (resid 489 and name N   and segid PAH3)
       (resid 489 and name CA  and segid PAH3) (resid 489 and name C   and segid PAH3) 1.0  -62.0   12.0 2
assign (resid 489 and name C   and segid PAH3) (resid 490 and name N   and segid PAH3)
       (resid 490 and name CA  and segid PAH3) (resid 490 and name C   and segid PAH3) 1.0  -63.0    6.0 2
assign (resid 490 and name C   and segid PAH3) (resid 491 and name N   and segid PAH3)
       (resid 491 and name CA  and segid PAH3) (resid 491 and name C   and segid PAH3) 1.0  -66.0   12.0 2
assign (resid 491 and name C   and segid PAH3) (resid 492 and name N   and segid PAH3)
       (resid 492 and name CA  and segid PAH3) (resid 492 and name C   and segid PAH3) 1.0  -64.0   15.0 2
assign (resid 497 and name C   and segid PAH3) (resid 498 and name N   and segid PAH3)
       (resid 498 and name CA  and segid PAH3) (resid 498 and name C   and segid PAH3) 1.0  -60.0   15.0 2
assign (resid 498 and name C   and segid PAH3) (resid 499 and name N   and segid PAH3)
       (resid 499 and name CA  and segid PAH3) (resid 499 and name C   and segid PAH3) 1.0  -66.0   15.0 2
assign (resid 499 and name C   and segid PAH3) (resid 500 and name N   and segid PAH3)
       (resid 500 and name CA  and segid PAH3) (resid 500 and name C   and segid PAH3) 1.0  -66.0   12.0 2
assign (resid 500 and name C   and segid PAH3) (resid 501 and name N   and segid PAH3)
       (resid 501 and name CA  and segid PAH3) (resid 501 and name C   and segid PAH3) 1.0  -64.0   15.0 2
assign (resid 501 and name C   and segid PAH3) (resid 502 and name N   and segid PAH3)
       (resid 502 and name CA  and segid PAH3) (resid 502 and name C   and segid PAH3) 1.0  -61.0   21.0 2
assign (resid 502 and name C   and segid PAH3) (resid 503 and name N   and segid PAH3)
       (resid 503 and name CA  and segid PAH3) (resid 503 and name C   and segid PAH3) 1.0  -59.0   24.0 2
assign (resid 503 and name C   and segid PAH3) (resid 504 and name N   and segid PAH3)
       (resid 504 and name CA  and segid PAH3) (resid 504 and name C   and segid PAH3) 1.0  -61.0   12.0 2
assign (resid 506 and name C   and segid PAH3) (resid 507 and name N   and segid PAH3)
       (resid 507 and name CA  and segid PAH3) (resid 507 and name C   and segid PAH3) 1.0  -58.0   21.0 2
assign (resid 512 and name C   and segid PAH3) (resid 513 and name N   and segid PAH3)
       (resid 513 and name CA  and segid PAH3) (resid 513 and name C   and segid PAH3) 1.0  -52.0   18.0 2
assign (resid 513 and name C   and segid PAH3) (resid 514 and name N   and segid PAH3)
       (resid 514 and name CA  and segid PAH3) (resid 514 and name C   and segid PAH3) 1.0  -62.0   12.0 2
assign (resid 514 and name C   and segid PAH3) (resid 515 and name N   and segid PAH3)
       (resid 515 and name CA  and segid PAH3) (resid 515 and name C   and segid PAH3) 1.0  -64.0   21.0 2
assign (resid 515 and name C   and segid PAH3) (resid 516 and name N   and segid PAH3)
       (resid 516 and name CA  and segid PAH3) (resid 516 and name C   and segid PAH3) 1.0  -66.0   18.0 2
assign (resid 516 and name C   and segid PAH3) (resid 517 and name N   and segid PAH3)
       (resid 517 and name CA  and segid PAH3) (resid 517 and name C   and segid PAH3) 1.0  -62.0   18.0 2
assign (resid 517 and name C   and segid PAH3) (resid 518 and name N   and segid PAH3)
       (resid 518 and name CA  and segid PAH3) (resid 518 and name C   and segid PAH3) 1.0  -63.0    9.0 2
assign (resid 518 and name C   and segid PAH3) (resid 519 and name N   and segid PAH3)
       (resid 519 and name CA  and segid PAH3) (resid 519 and name C   and segid PAH3) 1.0  -63.0   12.0 2
assign (resid 519 and name C   and segid PAH3) (resid 520 and name N   and segid PAH3)
       (resid 520 and name CA  and segid PAH3) (resid 520 and name C   and segid PAH3) 1.0  -60.0   18.0 2
assign (resid 520 and name C   and segid PAH3) (resid 521 and name N   and segid PAH3)
       (resid 521 and name CA  and segid PAH3) (resid 521 and name C   and segid PAH3) 1.0  -69.0   21.0 2
assign (resid 521 and name C   and segid PAH3) (resid 522 and name N   and segid PAH3)
       (resid 522 and name CA  and segid PAH3) (resid 522 and name C   and segid PAH3) 1.0  -64.0   18.0 2
assign (resid 463 and name N   and segid PAH3) (resid 463 and name CA  and segid PAH3)
       (resid 463 and name C   and segid PAH3) (resid 464 and name N   and segid PAH3) 1.0  -30.0   36.0 2
assign (resid 464 and name N   and segid PAH3) (resid 464 and name CA  and segid PAH3)
       (resid 464 and name C   and segid PAH3) (resid 465 and name N   and segid PAH3) 1.0  -39.0   21.0 2
assign (resid 465 and name N   and segid PAH3) (resid 465 and name CA  and segid PAH3)
       (resid 465 and name C   and segid PAH3) (resid 466 and name N   and segid PAH3) 1.0  -40.0   15.0 2
assign (resid 466 and name N   and segid PAH3) (resid 466 and name CA  and segid PAH3)
       (resid 466 and name C   and segid PAH3) (resid 467 and name N   and segid PAH3) 1.0  -41.0   27.0 2
assign (resid 467 and name N   and segid PAH3) (resid 467 and name CA  and segid PAH3)
       (resid 467 and name C   and segid PAH3) (resid 468 and name N   and segid PAH3) 1.0  -44.0   15.0 2
assign (resid 468 and name N   and segid PAH3) (resid 468 and name CA  and segid PAH3)
       (resid 468 and name C   and segid PAH3) (resid 469 and name N   and segid PAH3) 1.0  -39.0   18.0 2
assign (resid 469 and name N   and segid PAH3) (resid 469 and name CA  and segid PAH3)
       (resid 469 and name C   and segid PAH3) (resid 470 and name N   and segid PAH3) 1.0  -43.0   24.0 2
assign (resid 470 and name N   and segid PAH3) (resid 470 and name CA  and segid PAH3)
       (resid 470 and name C   and segid PAH3) (resid 471 and name N   and segid PAH3) 1.0  -39.0   21.0 2
assign (resid 471 and name N   and segid PAH3) (resid 471 and name CA  and segid PAH3)
       (resid 471 and name C   and segid PAH3) (resid 472 and name N   and segid PAH3) 1.0  -43.0   18.0 2
assign (resid 472 and name N   and segid PAH3) (resid 472 and name CA  and segid PAH3)
       (resid 472 and name C   and segid PAH3) (resid 473 and name N   and segid PAH3) 1.0  -43.0    9.0 2
assign (resid 473 and name N   and segid PAH3) (resid 473 and name CA  and segid PAH3)
       (resid 473 and name C   and segid PAH3) (resid 474 and name N   and segid PAH3) 1.0  -39.0   21.0 2
assign (resid 474 and name N   and segid PAH3) (resid 474 and name CA  and segid PAH3)
       (resid 474 and name C   and segid PAH3) (resid 475 and name N   and segid PAH3) 1.0  -39.0   30.0 2
assign (resid 475 and name N   and segid PAH3) (resid 475 and name CA  and segid PAH3)
       (resid 475 and name C   and segid PAH3) (resid 476 and name N   and segid PAH3) 1.0  -38.0   48.0 2
assign (resid 478 and name N   and segid PAH3) (resid 478 and name CA  and segid PAH3)
       (resid 478 and name C   and segid PAH3) (resid 479 and name N   and segid PAH3) 1.0  -37.0   21.0 2
assign (resid 479 and name N   and segid PAH3) (resid 479 and name CA  and segid PAH3)
       (resid 479 and name C   and segid PAH3) (resid 480 and name N   and segid PAH3) 1.0  -39.0   27.0 2
assign (resid 480 and name N   and segid PAH3) (resid 480 and name CA  and segid PAH3)
       (resid 480 and name C   and segid PAH3) (resid 481 and name N   and segid PAH3) 1.0  -40.0   18.0 2
assign (resid 481 and name N   and segid PAH3) (resid 481 and name CA  and segid PAH3)
       (resid 481 and name C   and segid PAH3) (resid 482 and name N   and segid PAH3) 1.0  -42.0   15.0 2
assign (resid 482 and name N   and segid PAH3) (resid 482 and name CA  and segid PAH3)
       (resid 482 and name C   and segid PAH3) (resid 483 and name N   and segid PAH3) 1.0  -43.0   21.0 2
assign (resid 483 and name N   and segid PAH3) (resid 483 and name CA  and segid PAH3)
       (resid 483 and name C   and segid PAH3) (resid 484 and name N   and segid PAH3) 1.0  -36.0   30.0 2
assign (resid 484 and name N   and segid PAH3) (resid 484 and name CA  and segid PAH3)
       (resid 484 and name C   and segid PAH3) (resid 485 and name N   and segid PAH3) 1.0  -45.0   12.0 2
assign (resid 485 and name N   and segid PAH3) (resid 485 and name CA  and segid PAH3)
       (resid 485 and name C   and segid PAH3) (resid 486 and name N   and segid PAH3) 1.0  -40.0   24.0 2
assign (resid 486 and name N   and segid PAH3) (resid 486 and name CA  and segid PAH3)
       (resid 486 and name C   and segid PAH3) (resid 487 and name N   and segid PAH3) 1.0  -43.0    6.0 2
assign (resid 487 and name N   and segid PAH3) (resid 487 and name CA  and segid PAH3)
       (resid 487 and name C   and segid PAH3) (resid 488 and name N   and segid PAH3) 1.0  -42.0   18.0 2
assign (resid 488 and name N   and segid PAH3) (resid 488 and name CA  and segid PAH3)
       (resid 488 and name C   and segid PAH3) (resid 489 and name N   and segid PAH3) 1.0  -39.0   21.0 2
assign (resid 489 and name N   and segid PAH3) (resid 489 and name CA  and segid PAH3)
       (resid 489 and name C   and segid PAH3) (resid 490 and name N   and segid PAH3) 1.0  -47.0   18.0 2
assign (resid 490 and name N   and segid PAH3) (resid 490 and name CA  and segid PAH3)
       (resid 490 and name C   and segid PAH3) (resid 491 and name N   and segid PAH3) 1.0  -37.0   18.0 2
assign (resid 491 and name N   and segid PAH3) (resid 491 and name CA  and segid PAH3)
       (resid 491 and name C   and segid PAH3) (resid 492 and name N   and segid PAH3) 1.0  -39.0   15.0 2
assign (resid 492 and name N   and segid PAH3) (resid 492 and name CA  and segid PAH3)
       (resid 492 and name C   and segid PAH3) (resid 493 and name N   and segid PAH3) 1.0  -28.0   30.0 2
assign (resid 498 and name N   and segid PAH3) (resid 498 and name CA  and segid PAH3)
       (resid 498 and name C   and segid PAH3) (resid 499 and name N   and segid PAH3) 1.0  -38.0   21.0 2
assign (resid 499 and name N   and segid PAH3) (resid 499 and name CA  and segid PAH3)
       (resid 499 and name C   and segid PAH3) (resid 500 and name N   and segid PAH3) 1.0  -38.0   15.0 2
assign (resid 500 and name N   and segid PAH3) (resid 500 and name CA  and segid PAH3)
       (resid 500 and name C   and segid PAH3) (resid 501 and name N   and segid PAH3) 1.0  -43.0   18.0 2
assign (resid 501 and name N   and segid PAH3) (resid 501 and name CA  and segid PAH3)
       (resid 501 and name C   and segid PAH3) (resid 502 and name N   and segid PAH3) 1.0  -42.0   12.0 2
assign (resid 502 and name N   and segid PAH3) (resid 502 and name CA  and segid PAH3)
       (resid 502 and name C   and segid PAH3) (resid 503 and name N   and segid PAH3) 1.0  -46.0   15.0 2
assign (resid 503 and name N   and segid PAH3) (resid 503 and name CA  and segid PAH3)
       (resid 503 and name C   and segid PAH3) (resid 504 and name N   and segid PAH3) 1.0  -44.0   21.0 2
assign (resid 504 and name N   and segid PAH3) (resid 504 and name CA  and segid PAH3)
       (resid 504 and name C   and segid PAH3) (resid 505 and name N   and segid PAH3) 1.0  -39.0   33.0 2
assign (resid 507 and name N   and segid PAH3) (resid 507 and name CA  and segid PAH3)
       (resid 507 and name C   and segid PAH3) (resid 508 and name N   and segid PAH3) 1.0  -22.0   36.0 2
assign (resid 513 and name N   and segid PAH3) (resid 513 and name CA  and segid PAH3)
       (resid 513 and name C   and segid PAH3) (resid 514 and name N   and segid PAH3) 1.0  -36.0   18.0 2
assign (resid 514 and name N   and segid PAH3) (resid 514 and name CA  and segid PAH3)
       (resid 514 and name C   and segid PAH3) (resid 515 and name N   and segid PAH3) 1.0  -37.0   12.0 2
assign (resid 515 and name N   and segid PAH3) (resid 515 and name CA  and segid PAH3)
       (resid 515 and name C   and segid PAH3) (resid 516 and name N   and segid PAH3) 1.0  -42.0   24.0 2
assign (resid 516 and name N   and segid PAH3) (resid 516 and name CA  and segid PAH3)
       (resid 516 and name C   and segid PAH3) (resid 517 and name N   and segid PAH3) 1.0  -39.0   30.0 2
assign (resid 517 and name N   and segid PAH3) (resid 517 and name CA  and segid PAH3)
       (resid 517 and name C   and segid PAH3) (resid 518 and name N   and segid PAH3) 1.0  -39.0   15.0 2
assign (resid 518 and name N   and segid PAH3) (resid 518 and name CA  and segid PAH3)
       (resid 518 and name C   and segid PAH3) (resid 519 and name N   and segid PAH3) 1.0  -42.0    6.0 2
assign (resid 519 and name N   and segid PAH3) (resid 519 and name CA  and segid PAH3)
       (resid 519 and name C   and segid PAH3) (resid 520 and name N   and segid PAH3) 1.0  -47.0   18.0 2
assign (resid 520 and name N   and segid PAH3) (resid 520 and name CA  and segid PAH3)
       (resid 520 and name C   and segid PAH3) (resid 521 and name N   and segid PAH3) 1.0  -42.0    9.0 2
assign (resid 521 and name N   and segid PAH3) (resid 521 and name CA  and segid PAH3)
       (resid 521 and name C   and segid PAH3) (resid 522 and name N   and segid PAH3) 1.0  -36.0   15.0 2
assign (resid 522 and name N   and segid PAH3) (resid 522 and name CA  and segid PAH3)
       (resid 522 and name C   and segid PAH3) (resid 523 and name N   and segid PAH3) 1.0  -33.0   24.0 2
assign (resid 154 and name C   and segid SAP ) (resid 155 and name N   and segid SAP )
       (resid 155 and name CA  and segid SAP ) (resid 155 and name C   and segid SAP ) 1.0  -58.0   18.0 2
assign (resid 155 and name C   and segid SAP ) (resid 156 and name N   and segid SAP )
       (resid 156 and name CA  and segid SAP ) (resid 156 and name C   and segid SAP ) 1.0  -62.0   12.0 2
assign (resid 156 and name C   and segid SAP ) (resid 157 and name N   and segid SAP )
       (resid 157 and name CA  and segid SAP ) (resid 157 and name C   and segid SAP ) 1.0  -68.0   24.0 2
assign (resid 157 and name C   and segid SAP ) (resid 158 and name N   and segid SAP )
       (resid 158 and name CA  and segid SAP ) (resid 158 and name C   and segid SAP ) 1.0  -63.0   12.0 2
assign (resid 158 and name C   and segid SAP ) (resid 159 and name N   and segid SAP )
       (resid 159 and name CA  and segid SAP ) (resid 159 and name C   and segid SAP ) 1.0  -66.0   24.0 2
assign (resid 159 and name C   and segid SAP ) (resid 160 and name N   and segid SAP )
       (resid 160 and name CA  and segid SAP ) (resid 160 and name C   and segid SAP ) 1.0  -66.0   12.0 2
assign (resid 160 and name C   and segid SAP ) (resid 161 and name N   and segid SAP )
       (resid 161 and name CA  and segid SAP ) (resid 161 and name C   and segid SAP ) 1.0  -63.0   15.0 2
assign (resid 161 and name C   and segid SAP ) (resid 162 and name N   and segid SAP )
       (resid 162 and name CA  and segid SAP ) (resid 162 and name C   and segid SAP ) 1.0  -60.0   12.0 2
assign (resid 162 and name C   and segid SAP ) (resid 163 and name N   and segid SAP )
       (resid 163 and name CA  and segid SAP ) (resid 163 and name C   and segid SAP ) 1.0  -67.0   18.0 2
assign (resid 163 and name C   and segid SAP ) (resid 164 and name N   and segid SAP )
       (resid 164 and name CA  and segid SAP ) (resid 164 and name C   and segid SAP ) 1.0  -63.0   18.0 2
assign (resid 164 and name C   and segid SAP ) (resid 165 and name N   and segid SAP )
       (resid 165 and name CA  and segid SAP ) (resid 165 and name C   and segid SAP ) 1.0  -90.0   24.0 2
assign (resid 167 and name C   and segid SAP ) (resid 168 and name N   and segid SAP )
       (resid 168 and name CA  and segid SAP ) (resid 168 and name C   and segid SAP ) 1.0  -70.0   18.0 2
assign (resid 170 and name C   and segid SAP ) (resid 171 and name N   and segid SAP )
       (resid 171 and name CA  and segid SAP ) (resid 171 and name C   and segid SAP ) 1.0  -61.0   21.0 2
assign (resid 174 and name C   and segid SAP ) (resid 175 and name N   and segid SAP )
       (resid 175 and name CA  and segid SAP ) (resid 175 and name C   and segid SAP ) 1.0  -60.0   15.0 2
assign (resid 175 and name C   and segid SAP ) (resid 176 and name N   and segid SAP )
       (resid 176 and name CA  and segid SAP ) (resid 176 and name C   and segid SAP ) 1.0  -60.0   21.0 2
assign (resid 176 and name C   and segid SAP ) (resid 177 and name N   and segid SAP )
       (resid 177 and name CA  and segid SAP ) (resid 177 and name C   and segid SAP ) 1.0  -66.0    6.0 2
assign (resid 177 and name C   and segid SAP ) (resid 178 and name N   and segid SAP )
       (resid 178 and name CA  and segid SAP ) (resid 178 and name C   and segid SAP ) 1.0  -65.0    9.0 2
assign (resid 178 and name C   and segid SAP ) (resid 179 and name N   and segid SAP )
       (resid 179 and name CA  and segid SAP ) (resid 179 and name C   and segid SAP ) 1.0  -61.0   12.0 2
assign (resid 179 and name C   and segid SAP ) (resid 180 and name N   and segid SAP )
       (resid 180 and name CA  and segid SAP ) (resid 180 and name C   and segid SAP ) 1.0  -65.0   15.0 2
assign (resid 180 and name C   and segid SAP ) (resid 181 and name N   and segid SAP )
       (resid 181 and name CA  and segid SAP ) (resid 181 and name C   and segid SAP ) 1.0  -67.0   12.0 2
assign (resid 181 and name C   and segid SAP ) (resid 182 and name N   and segid SAP )
       (resid 182 and name CA  and segid SAP ) (resid 182 and name C   and segid SAP ) 1.0  -66.0   24.0 2
assign (resid 182 and name C   and segid SAP ) (resid 183 and name N   and segid SAP )
       (resid 183 and name CA  and segid SAP ) (resid 183 and name C   and segid SAP ) 1.0  -66.0   21.0 2
assign (resid 183 and name C   and segid SAP ) (resid 184 and name N   and segid SAP )
       (resid 184 and name CA  and segid SAP ) (resid 184 and name C   and segid SAP ) 1.0  -63.0   12.0 2
assign (resid 184 and name C   and segid SAP ) (resid 185 and name N   and segid SAP )
       (resid 185 and name CA  and segid SAP ) (resid 185 and name C   and segid SAP ) 1.0  -66.0   21.0 2
assign (resid 185 and name C   and segid SAP ) (resid 186 and name N   and segid SAP )
       (resid 186 and name CA  and segid SAP ) (resid 186 and name C   and segid SAP ) 1.0  -64.0   18.0 2
assign (resid 192 and name C   and segid SAP ) (resid 193 and name N   and segid SAP )
       (resid 193 and name CA  and segid SAP ) (resid 193 and name C   and segid SAP ) 1.0  -58.0   12.0 2
assign (resid 193 and name C   and segid SAP ) (resid 194 and name N   and segid SAP )
       (resid 194 and name CA  and segid SAP ) (resid 194 and name C   and segid SAP ) 1.0  -59.0   21.0 2
assign (resid 194 and name C   and segid SAP ) (resid 195 and name N   and segid SAP )
       (resid 195 and name CA  and segid SAP ) (resid 195 and name C   and segid SAP ) 1.0  -65.0   21.0 2
assign (resid 195 and name C   and segid SAP ) (resid 196 and name N   and segid SAP )
       (resid 196 and name CA  and segid SAP ) (resid 196 and name C   and segid SAP ) 1.0  -68.0   27.0 2
assign (resid 196 and name C   and segid SAP ) (resid 197 and name N   and segid SAP )
       (resid 197 and name CA  and segid SAP ) (resid 197 and name C   and segid SAP ) 1.0  -62.0   15.0 2
assign (resid 197 and name C   and segid SAP ) (resid 198 and name N   and segid SAP )
       (resid 198 and name CA  and segid SAP ) (resid 198 and name C   and segid SAP ) 1.0  -68.0   24.0 2
assign (resid 198 and name C   and segid SAP ) (resid 199 and name N   and segid SAP )
       (resid 199 and name CA  and segid SAP ) (resid 199 and name C   and segid SAP ) 1.0  -66.0   24.0 2
assign (resid 199 and name C   and segid SAP ) (resid 200 and name N   and segid SAP )
       (resid 200 and name CA  and segid SAP ) (resid 200 and name C   and segid SAP ) 1.0  -64.0   15.0 2
assign (resid 200 and name C   and segid SAP ) (resid 201 and name N   and segid SAP )
       (resid 201 and name CA  and segid SAP ) (resid 201 and name C   and segid SAP ) 1.0  -61.0   15.0 2
assign (resid 201 and name C   and segid SAP ) (resid 202 and name N   and segid SAP )
       (resid 202 and name CA  and segid SAP ) (resid 202 and name C   and segid SAP ) 1.0  -64.0   18.0 2
assign (resid 202 and name C   and segid SAP ) (resid 203 and name N   and segid SAP )
       (resid 203 and name CA  and segid SAP ) (resid 203 and name C   and segid SAP ) 1.0  -63.0   15.0 2
assign (resid 203 and name C   and segid SAP ) (resid 204 and name N   and segid SAP )
       (resid 204 and name CA  and segid SAP ) (resid 204 and name C   and segid SAP ) 1.0  -67.0    9.0 2
assign (resid 204 and name C   and segid SAP ) (resid 205 and name N   and segid SAP )
       (resid 205 and name CA  and segid SAP ) (resid 205 and name C   and segid SAP ) 1.0  -66.0   21.0 2
assign (resid 155 and name N   and segid SAP ) (resid 155 and name CA  and segid SAP )
       (resid 155 and name C   and segid SAP ) (resid 156 and name N   and segid SAP ) 1.0  -43.0   27.0 2
assign (resid 156 and name N   and segid SAP ) (resid 156 and name CA  and segid SAP )
       (resid 156 and name C   and segid SAP ) (resid 157 and name N   and segid SAP ) 1.0  -35.0   24.0 2
assign (resid 157 and name N   and segid SAP ) (resid 157 and name CA  and segid SAP )
       (resid 157 and name C   and segid SAP ) (resid 158 and name N   and segid SAP ) 1.0  -41.0   21.0 2
assign (resid 158 and name N   and segid SAP ) (resid 158 and name CA  and segid SAP )
       (resid 158 and name C   and segid SAP ) (resid 159 and name N   and segid SAP ) 1.0  -45.0   24.0 2
assign (resid 159 and name N   and segid SAP ) (resid 159 and name CA  and segid SAP )
       (resid 159 and name C   and segid SAP ) (resid 160 and name N   and segid SAP ) 1.0  -34.0   30.0 2
assign (resid 160 and name N   and segid SAP ) (resid 160 and name CA  and segid SAP )
       (resid 160 and name C   and segid SAP ) (resid 161 and name N   and segid SAP ) 1.0  -40.0   18.0 2
assign (resid 161 and name N   and segid SAP ) (resid 161 and name CA  and segid SAP )
       (resid 161 and name C   and segid SAP ) (resid 162 and name N   and segid SAP ) 1.0  -45.0   21.0 2
assign (resid 162 and name N   and segid SAP ) (resid 162 and name CA  and segid SAP )
       (resid 162 and name C   and segid SAP ) (resid 163 and name N   and segid SAP ) 1.0  -43.0   15.0 2
assign (resid 163 and name N   and segid SAP ) (resid 163 and name CA  and segid SAP )
       (resid 163 and name C   and segid SAP ) (resid 164 and name N   and segid SAP ) 1.0  -37.0   30.0 2
assign (resid 164 and name N   and segid SAP ) (resid 164 and name CA  and segid SAP )
       (resid 164 and name C   and segid SAP ) (resid 165 and name N   and segid SAP ) 1.0  -39.0   15.0 2
assign (resid 165 and name N   and segid SAP ) (resid 165 and name CA  and segid SAP )
       (resid 165 and name C   and segid SAP ) (resid 166 and name N   and segid SAP ) 1.0    2.0   24.0 2
assign (resid 168 and name N   and segid SAP ) (resid 168 and name CA  and segid SAP )
       (resid 168 and name C   and segid SAP ) (resid 169 and name N   and segid SAP ) 1.0  152.0   24.0 2
assign (resid 171 and name N   and segid SAP ) (resid 171 and name CA  and segid SAP )
       (resid 171 and name C   and segid SAP ) (resid 172 and name N   and segid SAP ) 1.0  149.0   24.0 2
assign (resid 175 and name N   and segid SAP ) (resid 175 and name CA  and segid SAP )
       (resid 175 and name C   and segid SAP ) (resid 176 and name N   and segid SAP ) 1.0  -39.0   30.0 2
assign (resid 176 and name N   and segid SAP ) (resid 176 and name CA  and segid SAP )
       (resid 176 and name C   and segid SAP ) (resid 177 and name N   and segid SAP ) 1.0  -45.0   21.0 2
assign (resid 177 and name N   and segid SAP ) (resid 177 and name CA  and segid SAP )
       (resid 177 and name C   and segid SAP ) (resid 178 and name N   and segid SAP ) 1.0  -42.0   15.0 2
assign (resid 178 and name N   and segid SAP ) (resid 178 and name CA  and segid SAP )
       (resid 178 and name C   and segid SAP ) (resid 179 and name N   and segid SAP ) 1.0  -44.0   12.0 2
assign (resid 179 and name N   and segid SAP ) (resid 179 and name CA  and segid SAP )
       (resid 179 and name C   and segid SAP ) (resid 180 and name N   and segid SAP ) 1.0  -39.0   15.0 2
assign (resid 180 and name N   and segid SAP ) (resid 180 and name CA  and segid SAP )
       (resid 180 and name C   and segid SAP ) (resid 181 and name N   and segid SAP ) 1.0  -41.0   18.0 2
assign (resid 181 and name N   and segid SAP ) (resid 181 and name CA  and segid SAP )
       (resid 181 and name C   and segid SAP ) (resid 182 and name N   and segid SAP ) 1.0  -41.0   21.0 2
assign (resid 182 and name N   and segid SAP ) (resid 182 and name CA  and segid SAP )
       (resid 182 and name C   and segid SAP ) (resid 183 and name N   and segid SAP ) 1.0  -37.0   12.0 2
assign (resid 183 and name N   and segid SAP ) (resid 183 and name CA  and segid SAP )
       (resid 183 and name C   and segid SAP ) (resid 184 and name N   and segid SAP ) 1.0  -42.0   30.0 2
assign (resid 184 and name N   and segid SAP ) (resid 184 and name CA  and segid SAP )
       (resid 184 and name C   and segid SAP ) (resid 185 and name N   and segid SAP ) 1.0  -40.0   15.0 2
assign (resid 185 and name N   and segid SAP ) (resid 185 and name CA  and segid SAP )
       (resid 185 and name C   and segid SAP ) (resid 186 and name N   and segid SAP ) 1.0  -39.0   15.0 2
assign (resid 186 and name N   and segid SAP ) (resid 186 and name CA  and segid SAP )
       (resid 186 and name C   and segid SAP ) (resid 187 and name N   and segid SAP ) 1.0  -40.0   27.0 2
assign (resid 193 and name N   and segid SAP ) (resid 193 and name CA  and segid SAP )
       (resid 193 and name C   and segid SAP ) (resid 194 and name N   and segid SAP ) 1.0  -43.0   21.0 2
assign (resid 194 and name N   and segid SAP ) (resid 194 and name CA  and segid SAP )
       (resid 194 and name C   and segid SAP ) (resid 195 and name N   and segid SAP ) 1.0  -47.0   21.0 2
assign (resid 195 and name N   and segid SAP ) (resid 195 and name CA  and segid SAP )
       (resid 195 and name C   and segid SAP ) (resid 196 and name N   and segid SAP ) 1.0  -40.0   36.0 2
assign (resid 196 and name N   and segid SAP ) (resid 196 and name CA  and segid SAP )
       (resid 196 and name C   and segid SAP ) (resid 197 and name N   and segid SAP ) 1.0  -41.0   21.0 2
assign (resid 197 and name N   and segid SAP ) (resid 197 and name CA  and segid SAP )
       (resid 197 and name C   and segid SAP ) (resid 198 and name N   and segid SAP ) 1.0  -42.0   24.0 2
assign (resid 198 and name N   and segid SAP ) (resid 198 and name CA  and segid SAP )
       (resid 198 and name C   and segid SAP ) (resid 199 and name N   and segid SAP ) 1.0  -42.0   21.0 2
assign (resid 199 and name N   and segid SAP ) (resid 199 and name CA  and segid SAP )
       (resid 199 and name C   and segid SAP ) (resid 200 and name N   and segid SAP ) 1.0  -40.0   15.0 2
assign (resid 200 and name N   and segid SAP ) (resid 200 and name CA  and segid SAP )
       (resid 200 and name C   and segid SAP ) (resid 201 and name N   and segid SAP ) 1.0  -45.0   15.0 2
assign (resid 201 and name N   and segid SAP ) (resid 201 and name CA  and segid SAP )
       (resid 201 and name C   and segid SAP ) (resid 202 and name N   and segid SAP ) 1.0  -38.0   30.0 2
assign (resid 202 and name N   and segid SAP ) (resid 202 and name CA  and segid SAP )
       (resid 202 and name C   and segid SAP ) (resid 203 and name N   and segid SAP ) 1.0  -42.0   27.0 2
assign (resid 203 and name N   and segid SAP ) (resid 203 and name CA  and segid SAP )
       (resid 203 and name C   and segid SAP ) (resid 204 and name N   and segid SAP ) 1.0  -43.0   18.0 2
assign (resid 204 and name N   and segid SAP ) (resid 204 and name CA  and segid SAP )
       (resid 204 and name C   and segid SAP ) (resid 205 and name N   and segid SAP ) 1.0  -41.0   18.0 2
assign (resid 205 and name N   and segid SAP ) (resid 205 and name CA  and segid SAP )
       (resid 205 and name C   and segid SAP ) (resid 206 and name N   and segid SAP ) 1.0  -28.0   51.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER 127           HT1      SER 127   5.729 -24.017 -32.305
    2    H2   SER 127           HT2      SER 127   7.403 -23.791 -32.168
    3    H3   SER 127           HT3      SER 127   6.794 -25.180 -32.926
    4    HA   SER 127           HA       SER 127   7.589 -23.677 -34.575
    5    HB2  SER 127           HB2      SER 127   5.439 -23.357 -35.845
    6    HB3  SER 127           HB1      SER 127   5.679 -24.987 -35.218
    7    HG   SER 127           HG       SER 127   3.658 -23.311 -34.757
    8    H    ASN 128           H        ASN 128   5.133 -22.205 -32.489
    9    HA   ASN 128           HA       ASN 128   4.840 -20.087 -31.749
   10    HB2  ASN 128           HB2      ASN 128   7.575 -19.621 -32.950
   11    HB3  ASN 128           HB1      ASN 128   6.701 -18.434 -31.989
   12   HD21  ASN 128          1HD2      ASN 128   9.272 -19.751 -31.515
   13   HD22  ASN 128          2HD2      ASN 128   9.126 -20.525 -29.974
   14    H    ALA 129           H        ALA 129   4.847 -17.692 -32.569
   15    HA   ALA 129           HA       ALA 129   4.083 -16.131 -34.015
   16    HB1  ALA 129           HB1      ALA 129   6.044 -16.715 -35.346
   17    HB2  ALA 129           HB2      ALA 129   4.677 -16.283 -36.374
   18    HB3  ALA 129           HB3      ALA 129   5.123 -17.977 -36.162
   19    H    GLY 130           H        GLY 130   2.503 -18.684 -33.318
   20    HA2  GLY 130           HA2      GLY 130   0.411 -18.286 -35.375
   21    HA3  GLY 130           HA1      GLY 130   0.711 -19.838 -34.602
   22    H    SER 131           H        SER 131   1.221 -18.196 -32.063
   23    HA   SER 131           HA       SER 131  -1.482 -17.325 -31.418
   24    HB2  SER 131           HB2      SER 131  -0.028 -19.452 -29.821
   25    HB3  SER 131           HB1      SER 131  -1.599 -18.753 -29.431
   26    HG   SER 131           HG       SER 131  -1.834 -19.581 -31.880
   27    H    ASP 132           H        ASP 132  -1.525 -16.303 -29.199
   28    HA   ASP 132           HA       ASP 132   0.989 -14.827 -28.821
   29    HB2  ASP 132           HB2      ASP 132  -1.880 -14.133 -28.282
   30    HB3  ASP 132           HB1      ASP 132  -0.585 -13.273 -27.457
   31    H    ASP 133           H        ASP 133  -0.100 -17.494 -27.617
   32    HA   ASP 133           HA       ASP 133  -0.263 -17.017 -24.814
   33    HB2  ASP 133           HB2      ASP 133   0.364 -19.569 -26.315
   34    HB3  ASP 133           HB1      ASP 133   0.007 -19.471 -24.596
   35    H    ASP 134           H        ASP 134   1.299 -18.186 -23.309
   36    HA   ASP 134           HA       ASP 134   3.968 -17.213 -23.896
   37    HB2  ASP 134           HB2      ASP 134   3.049 -16.713 -21.699
   38    HB3  ASP 134           HB1      ASP 134   2.800 -18.429 -21.387
   39    H    GLY 135           H        GLY 135   5.747 -18.444 -24.214
   40    HA2  GLY 135           HA2      GLY 135   5.230 -21.292 -24.704
   41    HA3  GLY 135           HA1      GLY 135   6.544 -20.354 -25.392
   42    H    GLY 136           H        GLY 136   5.964 -19.918 -22.033
   43    HA2  GLY 136           HA2      GLY 136   8.378 -21.513 -21.469
   44    HA3  GLY 136           HA1      GLY 136   7.831 -20.138 -20.525
   45    H    ASP 137           H        ASP 137   5.036 -21.501 -21.040
   46    HA   ASP 137           HA       ASP 137   3.609 -22.928 -20.001
   47    HB2  ASP 137           HB2      ASP 137   5.099 -24.779 -20.418
   48    HB3  ASP 137           HB1      ASP 137   6.137 -24.310 -19.075
   49    H    SER 138           H        SER 138   6.354 -22.282 -17.832
   50    HA   SER 138           HA       SER 138   4.540 -20.875 -16.039
   51    HB2  SER 138           HB2      SER 138   4.643 -23.251 -15.241
   52    HB3  SER 138           HB1      SER 138   6.386 -23.075 -15.058
   53    HG   SER 138           HG       SER 138   4.467 -21.435 -13.743
   54    HA   PRO 139           HA       PRO 139   8.182 -18.264 -16.368
   55    HB2  PRO 139           HB2      PRO 139   7.260 -16.292 -14.724
   56    HB3  PRO 139           HB1      PRO 139   6.772 -16.452 -16.417
   57    HG2  PRO 139           HG2      PRO 139   5.339 -17.337 -13.942
   58    HG3  PRO 139           HG1      PRO 139   4.691 -16.534 -15.384
   59    HD2  PRO 139           HD2      PRO 139   4.437 -19.190 -14.993
   60    HD3  PRO 139           HD1      PRO 139   4.653 -18.495 -16.614
   61    H    VAL 140           H        VAL 140   9.702 -17.253 -14.801
   62    HA   VAL 140           HA       VAL 140  10.322 -19.096 -12.723
   63    HB   VAL 140           HB       VAL 140  12.136 -18.035 -13.881
   64   HG11  VAL 140          1HG1      VAL 140  11.146 -15.395 -12.806
   65   HG12  VAL 140          2HG1      VAL 140  11.047 -15.930 -14.483
   66   HG13  VAL 140          3HG1      VAL 140  12.622 -15.654 -13.738
   67   HG21  VAL 140          3HG2      VAL 140  13.457 -17.186 -11.989
   68   HG22  VAL 140          1HG2      VAL 140  12.562 -18.649 -11.581
   69   HG23  VAL 140          2HG2      VAL 140  11.983 -17.077 -11.026
   70    H    GLN 141           H        GLN 141   8.924 -19.209 -11.088
   71    HA   GLN 141           HA       GLN 141   8.877 -17.125  -9.146
   72    HB2  GLN 141           HB2      GLN 141   7.159 -16.317 -10.819
   73    HB3  GLN 141           HB1      GLN 141   6.218 -17.756 -10.445
   74    HG2  GLN 141           HG2      GLN 141   6.147 -17.023  -8.075
   75    HG3  GLN 141           HG1      GLN 141   6.959 -15.533  -8.556
   76   HE21  GLN 141          1HE2      GLN 141   5.503 -15.461 -11.120
   77   HE22  GLN 141          2HE2      GLN 141   3.901 -14.933 -10.735
   78    H    ASP 142           H        ASP 142   9.333 -18.463  -7.510
   79    HA   ASP 142           HA       ASP 142   8.112 -21.073  -7.289
   80    HB2  ASP 142           HB2      ASP 142   9.475 -21.335  -5.299
   81    HB3  ASP 142           HB1      ASP 142  10.464 -20.652  -6.585
   82    H    ILE 143           H        ILE 143   7.150 -18.010  -6.625
   83    HA   ILE 143           HA       ILE 143   5.623 -18.651  -4.226
   84    HB   ILE 143           HB       ILE 143   5.607 -16.034  -5.744
   85   HG12  ILE 143          2HG1      ILE 143   7.433 -16.820  -3.458
   86   HG13  ILE 143          1HG1      ILE 143   7.933 -16.673  -5.138
   87   HG21  ILE 143          1HG2      ILE 143   3.816 -16.350  -4.092
   88   HG22  ILE 143          2HG2      ILE 143   4.936 -15.079  -3.601
   89   HG23  ILE 143          3HG2      ILE 143   5.024 -16.673  -2.851
   90   HD11  ILE 143          3HD1      ILE 143   7.379 -14.292  -5.090
   91   HD12  ILE 143          1HD1      ILE 143   8.570 -14.716  -3.859
   92   HD13  ILE 143          2HD1      ILE 143   6.888 -14.449  -3.403
   93    H    ASP 144           H        ASP 144   3.376 -18.699  -4.202
   94    HA   ASP 144           HA       ASP 144   2.070 -19.364  -6.680
   95    HB2  ASP 144           HB2      ASP 144   1.344 -19.324  -3.789
   96    HB3  ASP 144           HB1      ASP 144   0.088 -19.507  -4.999
   97    H    THR 145           H        THR 145   2.984 -16.592  -5.875
   98    HA   THR 145           HA       THR 145   2.398 -14.435  -6.188
   99    HB   THR 145           HB       THR 145  -0.141 -15.669  -7.216
  100    HG1  THR 145           HG1      THR 145   2.248 -15.446  -8.273
  101   HG21  THR 145          3HG2      THR 145  -0.695 -13.464  -8.148
  102   HG22  THR 145          1HG2      THR 145   0.714 -12.772  -7.344
  103   HG23  THR 145          2HG2      THR 145  -0.623 -13.413  -6.387
  104    HA   PRO 146           HA       PRO 146   0.821 -14.117  -2.010
  105    HB2  PRO 146           HB2      PRO 146   1.404 -11.249  -2.466
  106    HB3  PRO 146           HB1      PRO 146   1.976 -12.323  -1.187
  107    HG2  PRO 146           HG2      PRO 146   3.600 -11.531  -3.157
  108    HG3  PRO 146           HG1      PRO 146   3.698 -13.167  -2.479
  109    HD2  PRO 146           HD2      PRO 146   2.475 -12.251  -5.051
  110    HD3  PRO 146           HD1      PRO 146   3.405 -13.724  -4.703
  111    H    GLU 147           H        GLU 147  -1.191 -13.819  -1.344
  112    HA   GLU 147           HA       GLU 147  -2.984 -12.262  -3.063
  113    HB2  GLU 147           HB2      GLU 147  -4.799 -13.553  -1.890
  114    HB3  GLU 147           HB1      GLU 147  -3.714 -14.517  -2.880
  115    HG2  GLU 147           HG2      GLU 147  -2.477 -15.161  -0.844
  116    HG3  GLU 147           HG1      GLU 147  -3.650 -14.258   0.117
  117    H    VAL 148           H        VAL 148  -4.211 -10.628  -2.272
  118    HA   VAL 148           HA       VAL 148  -3.228  -9.462   0.188
  119    HB   VAL 148           HB       VAL 148  -3.354  -8.007  -1.731
  120   HG11  VAL 148          1HG1      VAL 148  -5.129  -9.096  -2.976
  121   HG12  VAL 148          2HG1      VAL 148  -5.489  -7.384  -2.754
  122   HG13  VAL 148          3HG1      VAL 148  -6.310  -8.591  -1.765
  123   HG21  VAL 148          3HG2      VAL 148  -3.752  -6.997   0.447
  124   HG22  VAL 148          1HG2      VAL 148  -5.482  -7.301   0.279
  125   HG23  VAL 148          2HG2      VAL 148  -4.676  -6.173  -0.811
  126    H    ASP 149           H        ASP 149  -4.218  -9.621   2.065
  127    HA   ASP 149           HA       ASP 149  -6.914 -10.630   2.241
  128    HB2  ASP 149           HB2      ASP 149  -5.337 -11.355   3.941
  129    HB3  ASP 149           HB1      ASP 149  -4.999  -9.685   4.390
  130    H    LEU 150           H        LEU 150  -8.579  -9.363   1.927
  131    HA   LEU 150           HA       LEU 150  -8.342  -6.495   2.478
  132    HB2  LEU 150           HB2      LEU 150 -10.318  -8.090   0.855
  133    HB3  LEU 150           HB1      LEU 150 -10.497  -6.375   1.176
  134    HG   LEU 150           HG       LEU 150  -8.054  -7.493  -0.170
  135   HD11  LEU 150          1HD1      LEU 150  -9.073  -6.858  -2.300
  136   HD12  LEU 150          2HD1      LEU 150 -10.580  -6.482  -1.462
  137   HD13  LEU 150          3HD1      LEU 150  -9.981  -8.141  -1.501
  138   HD21  LEU 150          3HD2      LEU 150  -7.928  -5.230   0.803
  139   HD22  LEU 150          1HD2      LEU 150  -9.298  -4.749  -0.197
  140   HD23  LEU 150          2HD2      LEU 150  -7.776  -5.222  -0.954
  141    H    TYR 151           H        TYR 151  -9.243  -9.181   4.054
  142    HA   TYR 151           HA       TYR 151 -11.726  -8.234   5.194
  143    HB2  TYR 151           HB2      TYR 151 -10.773 -10.715   4.807
  144    HB3  TYR 151           HB1      TYR 151 -10.196 -10.461   6.450
  145    HD1  TYR 151           HD2      TYR 151 -11.893  -9.896   8.247
  146    HD2  TYR 151           HD1      TYR 151 -13.013 -11.247   4.375
  147    HE1  TYR 151           HE2      TYR 151 -14.120 -10.488   9.103
  148    HE2  TYR 151           HE1      TYR 151 -15.242 -11.845   5.220
  149    HH   TYR 151           HH       TYR 151 -16.289 -12.429   7.430
  150    H    GLN 152           H        GLN 152  -8.379  -7.955   5.758
  151    HA   GLN 152           HA       GLN 152  -8.422  -7.406   8.545
  152    HB2  GLN 152           HB2      GLN 152  -6.154  -6.527   8.190
  153    HB3  GLN 152           HB1      GLN 152  -6.373  -8.075   7.390
  154    HG2  GLN 152           HG2      GLN 152  -6.612  -7.011   5.259
  155    HG3  GLN 152           HG1      GLN 152  -6.541  -5.418   6.013
  156   HE21  GLN 152          1HE2      GLN 152  -4.846  -6.806   4.001
  157   HE22  GLN 152          2HE2      GLN 152  -3.233  -6.649   4.616
  158    H    LEU 153           H        LEU 153  -9.101  -5.548   5.710
  159    HA   LEU 153           HA       LEU 153  -8.614  -2.968   6.744
  160    HB2  LEU 153           HB2      LEU 153 -10.481  -3.880   4.554
  161    HB3  LEU 153           HB1      LEU 153 -10.112  -2.203   4.904
  162    HG   LEU 153           HG       LEU 153  -8.144  -4.287   3.962
  163   HD11  LEU 153          1HD1      LEU 153  -9.703  -3.578   2.228
  164   HD12  LEU 153          2HD1      LEU 153  -8.081  -2.957   1.915
  165   HD13  LEU 153          3HD1      LEU 153  -9.324  -1.890   2.567
  166   HD21  LEU 153          3HD2      LEU 153  -7.062  -2.700   5.443
  167   HD22  LEU 153          1HD2      LEU 153  -7.772  -1.352   4.555
  168   HD23  LEU 153          2HD2      LEU 153  -6.582  -2.392   3.775
  169    H    GLN 154           H        GLN 154 -10.027  -1.428   7.538
  170    HA   GLN 154           HA       GLN 154 -11.992  -2.378   9.342
  171    HB2  GLN 154           HB2      GLN 154 -11.541   0.430   8.315
  172    HB3  GLN 154           HB1      GLN 154 -12.527   0.002   9.706
  173    HG2  GLN 154           HG2      GLN 154 -10.520  -0.910  10.809
  174    HG3  GLN 154           HG1      GLN 154  -9.554  -0.380   9.432
  175   HE21  GLN 154          1HE2      GLN 154  -9.372   0.395  12.227
  176   HE22  GLN 154          2HE2      GLN 154  -9.567   2.110  12.262
  177    H    VAL 155           H        VAL 155 -14.255  -2.072   9.319
  178    HA   VAL 155           HA       VAL 155 -15.622  -2.620   6.951
  179    HB   VAL 155           HB       VAL 155 -16.723  -1.211   9.394
  180   HG11  VAL 155          1HG1      VAL 155 -18.890  -2.073   8.692
  181   HG12  VAL 155          2HG1      VAL 155 -18.152  -2.799   7.263
  182   HG13  VAL 155          3HG1      VAL 155 -18.193  -1.044   7.441
  183   HG21  VAL 155          3HG2      VAL 155 -16.542  -4.143   8.740
  184   HG22  VAL 155          1HG2      VAL 155 -17.439  -3.461  10.096
  185   HG23  VAL 155          2HG2      VAL 155 -15.685  -3.290  10.024
  186    H    ASN 156           H        ASN 156 -14.903   0.408   8.548
  187    HA   ASN 156           HA       ASN 156 -16.444   2.101   6.929
  188    HB2  ASN 156           HB2      ASN 156 -13.932   2.671   8.522
  189    HB3  ASN 156           HB1      ASN 156 -14.948   3.913   7.796
  190   HD21  ASN 156          1HD2      ASN 156 -15.354   4.814   9.823
  191   HD22  ASN 156          2HD2      ASN 156 -16.441   4.071  10.948
  192    H    THR 157           H        THR 157 -13.138   0.926   6.665
  193    HA   THR 157           HA       THR 157 -12.311   2.536   4.516
  194    HB   THR 157           HB       THR 157 -11.359  -0.262   5.157
  195    HG1  THR 157           HG1      THR 157  -9.950   0.705   6.612
  196   HG21  THR 157          3HG2      THR 157  -9.954   2.079   3.856
  197   HG22  THR 157          1HG2      THR 157 -10.534   0.633   3.027
  198   HG23  THR 157          2HG2      THR 157  -9.236   0.509   4.213
  199    H    LEU 158           H        LEU 158 -13.756  -0.705   4.616
  200    HA   LEU 158           HA       LEU 158 -13.669  -1.176   1.830
  201    HB2  LEU 158           HB2      LEU 158 -15.502  -2.314   3.940
  202    HB3  LEU 158           HB1      LEU 158 -15.344  -2.938   2.308
  203    HG   LEU 158           HG       LEU 158 -13.105  -2.853   4.336
  204   HD11  LEU 158          1HD1      LEU 158 -14.849  -4.397   5.017
  205   HD12  LEU 158          2HD1      LEU 158 -13.416  -5.270   4.474
  206   HD13  LEU 158          3HD1      LEU 158 -14.824  -5.148   3.420
  207   HD21  LEU 158          3HD2      LEU 158 -13.300  -4.140   1.614
  208   HD22  LEU 158          1HD2      LEU 158 -11.961  -4.333   2.745
  209   HD23  LEU 158          2HD2      LEU 158 -12.303  -2.750   2.045
  210    H    ARG 159           H        ARG 159 -16.165   0.159   3.948
  211    HA   ARG 159           HA       ARG 159 -18.128   0.488   1.934
  212    HB2  ARG 159           HB2      ARG 159 -17.732   1.885   4.582
  213    HB3  ARG 159           HB1      ARG 159 -19.128   2.148   3.546
  214    HG2  ARG 159           HG2      ARG 159 -19.726  -0.206   3.744
  215    HG3  ARG 159           HG1      ARG 159 -18.318  -0.479   4.774
  216    HD2  ARG 159           HD2      ARG 159 -20.345  -0.229   6.107
  217    HD3  ARG 159           HD1      ARG 159 -19.216   1.089   6.418
  218    HE   ARG 159           HE       ARG 159 -20.917   1.979   4.427
  219   HH11  ARG 159          1HH1      ARG 159 -21.233   0.903   7.745
  220   HH12  ARG 159          2HH1      ARG 159 -22.612   1.904   8.070
  221   HH21  ARG 159          1HH2      ARG 159 -22.718   3.298   4.857
  222   HH22  ARG 159          2HH2      ARG 159 -23.466   3.261   6.430
  223    H    ARG 160           H        ARG 160 -15.432   2.422   3.016
  224    HA   ARG 160           HA       ARG 160 -16.117   4.816   1.662
  225    HB2  ARG 160           HB2      ARG 160 -14.379   4.462   3.512
  226    HB3  ARG 160           HB1      ARG 160 -13.309   3.896   2.239
  227    HG2  ARG 160           HG2      ARG 160 -13.413   6.029   1.128
  228    HG3  ARG 160           HG1      ARG 160 -14.608   6.612   2.289
  229    HD2  ARG 160           HD2      ARG 160 -11.742   5.862   2.850
  230    HD3  ARG 160           HD1      ARG 160 -12.441   7.481   2.885
  231    HE   ARG 160           HE       ARG 160 -13.839   6.636   4.786
  232   HH11  ARG 160          1HH1      ARG 160 -10.769   5.127   4.008
  233   HH12  ARG 160          2HH1      ARG 160 -10.478   4.590   5.636
  234   HH21  ARG 160          1HH2      ARG 160 -13.454   5.912   6.932
  235   HH22  ARG 160          2HH2      ARG 160 -11.988   5.034   7.292
  236    H    TYR 161           H        TYR 161 -13.999   2.081   0.795
  237    HA   TYR 161           HA       TYR 161 -13.291   2.772  -1.772
  238    HB2  TYR 161           HB2      TYR 161 -12.537   0.717  -0.624
  239    HB3  TYR 161           HB1      TYR 161 -14.149   0.034  -0.792
  240    HD1  TYR 161           HD1      TYR 161 -14.958  -0.716  -2.990
  241    HD2  TYR 161           HD2      TYR 161 -11.007   0.782  -2.484
  242    HE1  TYR 161           HE1      TYR 161 -14.323  -1.672  -5.162
  243    HE2  TYR 161           HE2      TYR 161 -10.364  -0.171  -4.658
  244    HH   TYR 161           HH       TYR 161 -11.091  -1.933  -6.186
  245    H    LYS 162           H        LYS 162 -16.266   1.155  -0.709
  246    HA   LYS 162           HA       LYS 162 -17.426   0.890  -3.262
  247    HB2  LYS 162           HB2      LYS 162 -18.724   1.043  -0.542
  248    HB3  LYS 162           HB1      LYS 162 -19.559   0.580  -2.019
  249    HG2  LYS 162           HG2      LYS 162 -18.099  -1.344  -2.263
  250    HG3  LYS 162           HG1      LYS 162 -17.213  -0.868  -0.814
  251    HD2  LYS 162           HD2      LYS 162 -18.731  -2.568  -0.153
  252    HD3  LYS 162           HD1      LYS 162 -19.386  -1.044   0.442
  253    HE2  LYS 162           HE2      LYS 162 -20.250  -2.298  -2.152
  254    HE3  LYS 162           HE1      LYS 162 -21.033  -2.649  -0.616
  255    HZ1  LYS 162           HZ1      LYS 162 -22.288  -0.967  -1.678
  256    HZ2  LYS 162           HZ2      LYS 162 -20.915  -0.045  -2.032
  257    HZ3  LYS 162           HZ3      LYS 162 -21.438  -0.196  -0.431
  258    H    ARG 163           H        ARG 163 -17.450   3.547  -0.965
  259    HA   ARG 163           HA       ARG 163 -19.558   4.935  -2.347
  260    HB2  ARG 163           HB2      ARG 163 -19.362   5.254   0.031
  261    HB3  ARG 163           HB1      ARG 163 -17.697   5.792  -0.132
  262    HG2  ARG 163           HG2      ARG 163 -18.374   7.814  -1.199
  263    HG3  ARG 163           HG1      ARG 163 -20.040   7.251  -1.326
  264    HD2  ARG 163           HD2      ARG 163 -18.636   7.626   1.308
  265    HD3  ARG 163           HD1      ARG 163 -19.551   8.912   0.524
  266    HE   ARG 163           HE       ARG 163 -21.099   6.531   0.764
  267   HH11  ARG 163          1HH1      ARG 163 -19.894   9.249   2.635
  268   HH12  ARG 163          2HH1      ARG 163 -21.246   9.248   3.726
  269   HH21  ARG 163          1HH2      ARG 163 -22.862   6.534   2.218
  270   HH22  ARG 163          2HH2      ARG 163 -22.913   7.700   3.509
  271    H    HIS 164           H        HIS 164 -16.027   5.111  -2.244
  272    HA   HIS 164           HA       HIS 164 -15.967   7.548  -3.773
  273    HB2  HIS 164           HB2      HIS 164 -14.188   6.539  -2.087
  274    HB3  HIS 164           HB1      HIS 164 -13.557   5.805  -3.558
  275    HD1  HIS 164           HD1      HIS 164 -13.911   9.053  -1.795
  276    HD2  HIS 164           HD2      HIS 164 -12.447   7.630  -5.420
  277    HE1  HIS 164           HE1      HIS 164 -12.587  10.951  -2.784
  278    HE2  HIS 164           HE2      HIS 164 -11.537   9.996  -4.863
  279    H    PHE 165           H        PHE 165 -15.689   4.117  -4.464
  280    HA   PHE 165           HA       PHE 165 -15.126   4.643  -7.272
  281    HB2  PHE 165           HB2      PHE 165 -15.293   2.158  -5.599
  282    HB3  PHE 165           HB1      PHE 165 -15.369   2.046  -7.355
  283    HD1  PHE 165           HD1      PHE 165 -13.256   3.063  -4.507
  284    HD2  PHE 165           HD2      PHE 165 -13.442   2.303  -8.687
  285    HE1  PHE 165           HE1      PHE 165 -10.801   3.118  -4.625
  286    HE2  PHE 165           HE2      PHE 165 -10.989   2.357  -8.815
  287    HZ   PHE 165           HZ       PHE 165  -9.663   2.767  -6.781
  288    H    LYS 166           H        LYS 166 -17.783   4.612  -5.355
  289    HA   LYS 166           HA       LYS 166 -20.008   4.454  -5.626
  290    HB2  LYS 166           HB2      LYS 166 -19.329   4.918  -8.524
  291    HB3  LYS 166           HB1      LYS 166 -20.954   4.978  -7.860
  292    HG2  LYS 166           HG2      LYS 166 -20.354   7.204  -7.931
  293    HG3  LYS 166           HG1      LYS 166 -19.976   6.767  -6.262
  294    HD2  LYS 166           HD2      LYS 166 -17.641   6.458  -6.862
  295    HD3  LYS 166           HD1      LYS 166 -18.015   6.837  -8.538
  296    HE2  LYS 166           HE2      LYS 166 -18.868   9.071  -7.692
  297    HE3  LYS 166           HE1      LYS 166 -18.117   8.660  -6.151
  298    HZ1  LYS 166           HZ1      LYS 166 -16.819   9.156  -8.758
  299    HZ2  LYS 166           HZ2      LYS 166 -16.016   8.304  -7.534
  300    HZ3  LYS 166           HZ3      LYS 166 -16.517   9.905  -7.267
  301    H    LEU 167           H        LEU 167 -19.986   2.242  -4.949
  302    HA   LEU 167           HA       LEU 167 -20.625   0.386  -7.144
  303    HB2  LEU 167           HB2      LEU 167 -19.522  -0.251  -4.402
  304    HB3  LEU 167           HB1      LEU 167 -19.950  -1.434  -5.621
  305    HG   LEU 167           HG       LEU 167 -17.743   0.614  -5.857
  306   HD11  LEU 167          1HD1      LEU 167 -17.649  -2.370  -5.449
  307   HD12  LEU 167          2HD1      LEU 167 -17.206  -1.137  -4.268
  308   HD13  LEU 167          3HD1      LEU 167 -16.257  -1.328  -5.741
  309   HD21  LEU 167          3HD2      LEU 167 -18.582  -1.595  -7.730
  310   HD22  LEU 167          1HD2      LEU 167 -17.135  -0.599  -7.899
  311   HD23  LEU 167          2HD2      LEU 167 -18.732   0.137  -8.021
  312    HA   PRO 168           HA       PRO 168 -24.628   1.061  -5.053
  313    HB2  PRO 168           HB2      PRO 168 -26.042  -0.079  -7.124
  314    HB3  PRO 168           HB1      PRO 168 -25.609   1.632  -7.035
  315    HG2  PRO 168           HG2      PRO 168 -24.289  -0.585  -8.544
  316    HG3  PRO 168           HG1      PRO 168 -24.584   1.094  -9.038
  317    HD2  PRO 168           HD2      PRO 168 -22.163   0.256  -8.209
  318    HD3  PRO 168           HD1      PRO 168 -22.760   1.892  -7.865
  319    H    THR 169           H        THR 169 -25.432  -0.337  -3.637
  320    HA   THR 169           HA       THR 169 -25.287  -3.203  -4.199
  321    HB   THR 169           HB       THR 169 -24.510  -3.479  -1.764
  322    HG1  THR 169           HG1      THR 169 -24.791  -1.242  -1.209
  323   HG21  THR 169          3HG2      THR 169 -22.188  -3.384  -2.379
  324   HG22  THR 169          1HG2      THR 169 -22.533  -2.255  -3.695
  325   HG23  THR 169          2HG2      THR 169 -23.114  -3.924  -3.781
  326    H    ARG 170           H        ARG 170 -26.303  -4.389  -2.186
  327    HA   ARG 170           HA       ARG 170 -28.948  -3.192  -1.843
  328    HB2  ARG 170           HB2      ARG 170 -27.987  -5.960  -1.092
  329    HB3  ARG 170           HB1      ARG 170 -29.655  -5.409  -1.150
  330    HG2  ARG 170           HG2      ARG 170 -29.504  -5.141  -3.559
  331    HG3  ARG 170           HG1      ARG 170 -27.811  -5.633  -3.519
  332    HD2  ARG 170           HD2      ARG 170 -28.521  -7.806  -2.561
  333    HD3  ARG 170           HD1      ARG 170 -30.198  -7.306  -2.763
  334    HE   ARG 170           HE       ARG 170 -28.784  -7.095  -5.210
  335   HH11  ARG 170          1HH1      ARG 170 -30.243  -9.441  -3.054
  336   HH12  ARG 170          2HH1      ARG 170 -30.541 -10.592  -4.322
  337   HH21  ARG 170          1HH2      ARG 170 -29.167  -8.592  -6.865
  338   HH22  ARG 170          2HH2      ARG 170 -29.927 -10.115  -6.496
  339    HA   PRO 171           HA       PRO 171 -28.213  -1.999   2.365
  340    HB2  PRO 171           HB2      PRO 171 -31.016  -2.770   2.896
  341    HB3  PRO 171           HB1      PRO 171 -30.236  -1.193   3.057
  342    HG2  PRO 171           HG2      PRO 171 -31.976  -1.693   1.086
  343    HG3  PRO 171           HG1      PRO 171 -30.555  -0.661   0.829
  344    HD2  PRO 171           HD2      PRO 171 -30.993  -3.519   0.048
  345    HD3  PRO 171           HD1      PRO 171 -30.214  -2.208  -0.864
  346    H    GLY 172           H        GLY 172 -27.764  -2.933   4.335
  347    HA2  GLY 172           HA2      GLY 172 -27.885  -4.622   5.986
  348    HA3  GLY 172           HA1      GLY 172 -28.654  -5.685   4.816
  349    H    LEU 173           H        LEU 173 -25.748  -3.858   4.160
  350    HA   LEU 173           HA       LEU 173 -24.330  -6.214   3.379
  351    HB2  LEU 173           HB2      LEU 173 -23.472  -3.344   3.683
  352    HB3  LEU 173           HB1      LEU 173 -22.418  -4.619   3.097
  353    HG   LEU 173           HG       LEU 173 -24.998  -3.775   1.777
  354   HD11  LEU 173          1HD1      LEU 173 -23.330  -2.024   1.633
  355   HD12  LEU 173          2HD1      LEU 173 -23.534  -2.805   0.065
  356   HD13  LEU 173          3HD1      LEU 173 -22.131  -3.185   1.065
  357   HD21  LEU 173          3HD2      LEU 173 -24.460  -6.109   1.368
  358   HD22  LEU 173          1HD2      LEU 173 -22.817  -5.669   0.902
  359   HD23  LEU 173          2HD2      LEU 173 -24.181  -5.154  -0.089
  360    H    ASN 174           H        ASN 174 -22.584  -7.172   4.345
  361    HA   ASN 174           HA       ASN 174 -21.977  -6.360   7.107
  362    HB2  ASN 174           HB2      ASN 174 -22.330  -9.127   5.963
  363    HB3  ASN 174           HB1      ASN 174 -21.404  -8.852   7.433
  364   HD21  ASN 174          1HD2      ASN 174 -22.449  -8.157   9.285
  365   HD22  ASN 174          2HD2      ASN 174 -24.173  -8.282   9.476
  366    H    LYS 175           H        LYS 175 -19.825  -7.509   7.801
  367    HA   LYS 175           HA       LYS 175 -17.776  -6.246   6.425
  368    HB2  LYS 175           HB2      LYS 175 -17.570  -6.933   8.745
  369    HB3  LYS 175           HB1      LYS 175 -17.631  -8.626   8.279
  370    HG2  LYS 175           HG2      LYS 175 -15.359  -7.818   8.832
  371    HG3  LYS 175           HG1      LYS 175 -15.497  -8.468   7.199
  372    HD2  LYS 175           HD2      LYS 175 -15.531  -6.280   6.249
  373    HD3  LYS 175           HD1      LYS 175 -15.674  -5.529   7.843
  374    HE2  LYS 175           HE2      LYS 175 -13.317  -7.164   6.913
  375    HE3  LYS 175           HE1      LYS 175 -13.393  -5.404   6.863
  376    HZ1  LYS 175           HZ1      LYS 175 -13.504  -7.102   9.301
  377    HZ2  LYS 175           HZ2      LYS 175 -13.676  -5.414   9.289
  378    HZ3  LYS 175           HZ3      LYS 175 -12.214  -6.119   8.811
  379    H    ALA 176           H        ALA 176 -18.574  -9.726   6.365
  380    HA   ALA 176           HA       ALA 176 -16.590 -10.473   4.537
  381    HB1  ALA 176           HB1      ALA 176 -17.866 -12.513   4.216
  382    HB2  ALA 176           HB2      ALA 176 -19.277 -11.769   4.970
  383    HB3  ALA 176           HB3      ALA 176 -17.823 -12.069   5.922
  384    H    GLN 177           H        GLN 177 -19.879  -9.332   4.053
  385    HA   GLN 177           HA       GLN 177 -20.091  -9.826   1.292
  386    HB2  GLN 177           HB2      GLN 177 -21.391  -7.614   2.901
  387    HB3  GLN 177           HB1      GLN 177 -21.912  -8.182   1.319
  388    HG2  GLN 177           HG2      GLN 177 -21.911  -9.788   3.863
  389    HG3  GLN 177           HG1      GLN 177 -23.322  -9.061   3.096
  390   HE21  GLN 177          1HE2      GLN 177 -22.661 -11.854   3.722
  391   HE22  GLN 177          2HE2      GLN 177 -22.806 -12.715   2.227
  392    H    LEU 178           H        LEU 178 -19.046  -6.980   3.107
  393    HA   LEU 178           HA       LEU 178 -18.559  -5.274   0.946
  394    HB2  LEU 178           HB2      LEU 178 -17.078  -5.407   3.571
  395    HB3  LEU 178           HB1      LEU 178 -17.084  -4.049   2.463
  396    HG   LEU 178           HG       LEU 178 -19.506  -5.081   3.943
  397   HD11  LEU 178          1HD1      LEU 178 -19.318  -3.026   5.248
  398   HD12  LEU 178          2HD1      LEU 178 -17.822  -2.621   4.404
  399   HD13  LEU 178          3HD1      LEU 178 -17.893  -4.046   5.444
  400   HD21  LEU 178          3HD2      LEU 178 -20.066  -4.068   1.798
  401   HD22  LEU 178          1HD2      LEU 178 -19.132  -2.635   2.222
  402   HD23  LEU 178          2HD2      LEU 178 -20.584  -3.044   3.137
  403    H    VAL 179           H        VAL 179 -16.383  -7.491   2.650
  404    HA   VAL 179           HA       VAL 179 -14.050  -6.848   1.259
  405    HB   VAL 179           HB       VAL 179 -14.743  -9.545   2.431
  406   HG11  VAL 179          1HG1      VAL 179 -12.315  -9.742   2.734
  407   HG12  VAL 179          2HG1      VAL 179 -12.101  -8.207   1.895
  408   HG13  VAL 179          3HG1      VAL 179 -12.764  -9.598   1.034
  409   HG21  VAL 179          3HG2      VAL 179 -13.686  -8.754   4.478
  410   HG22  VAL 179          1HG2      VAL 179 -15.085  -7.760   4.068
  411   HG23  VAL 179          2HG2      VAL 179 -13.454  -7.163   3.754
  412    H    GLU 180           H        GLU 180 -16.555  -9.251   0.528
  413    HA   GLU 180           HA       GLU 180 -15.232 -10.420  -1.675
  414    HB2  GLU 180           HB2      GLU 180 -18.156 -10.248  -0.963
  415    HB3  GLU 180           HB1      GLU 180 -17.559 -11.146  -2.353
  416    HG2  GLU 180           HG2      GLU 180 -16.190 -12.520  -0.843
  417    HG3  GLU 180           HG1      GLU 180 -16.863 -11.648   0.532
  418    H    ILE 181           H        ILE 181 -17.680  -7.850  -1.511
  419    HA   ILE 181           HA       ILE 181 -17.803  -7.379  -4.291
  420    HB   ILE 181           HB       ILE 181 -18.410  -5.481  -2.014
  421   HG12  ILE 181          2HG1      ILE 181 -20.254  -7.274  -3.613
  422   HG13  ILE 181          1HG1      ILE 181 -19.688  -7.614  -1.982
  423   HG21  ILE 181          1HG2      ILE 181 -19.226  -5.367  -4.916
  424   HG22  ILE 181          2HG2      ILE 181 -18.103  -4.277  -4.102
  425   HG23  ILE 181          3HG2      ILE 181 -19.807  -4.289  -3.645
  426   HD11  ILE 181          3HD1      ILE 181 -21.937  -6.728  -1.950
  427   HD12  ILE 181          1HD1      ILE 181 -21.403  -5.287  -2.814
  428   HD13  ILE 181          2HD1      ILE 181 -20.820  -5.601  -1.181
  429    H    VAL 182           H        VAL 182 -15.979  -5.739  -1.709
  430    HA   VAL 182           HA       VAL 182 -14.663  -3.867  -3.329
  431    HB   VAL 182           HB       VAL 182 -13.760  -5.161  -0.749
  432   HG11  VAL 182          1HG1      VAL 182 -12.130  -3.350  -0.557
  433   HG12  VAL 182          2HG1      VAL 182 -12.594  -2.757  -2.152
  434   HG13  VAL 182          3HG1      VAL 182 -11.817  -4.331  -1.989
  435   HG21  VAL 182          3HG2      VAL 182 -15.783  -3.829  -0.549
  436   HG22  VAL 182          1HG2      VAL 182 -14.979  -2.467  -1.332
  437   HG23  VAL 182          2HG2      VAL 182 -14.428  -3.027   0.248
  438    H    GLY 183           H        GLY 183 -13.694  -7.136  -2.326
  439    HA2  GLY 183           HA2      GLY 183 -11.188  -7.148  -3.592
  440    HA3  GLY 183           HA1      GLY 183 -12.115  -8.571  -3.147
  441    H    CYS 184           H        CYS 184 -14.387  -8.066  -4.767
  442    HA   CYS 184           HA       CYS 184 -13.543  -9.241  -7.178
  443    HB2  CYS 184           HB2      CYS 184 -15.818  -9.497  -6.248
  444    HB3  CYS 184           HB1      CYS 184 -16.141  -7.801  -6.589
  445    HG   CYS 184           HG       CYS 184 -15.215  -8.864  -9.428
  446    H    HIS 185           H        HIS 185 -14.390  -5.902  -6.352
  447    HA   HIS 185           HA       HIS 185 -13.958  -4.983  -9.056
  448    HB2  HIS 185           HB2      HIS 185 -15.598  -3.954  -7.423
  449    HB3  HIS 185           HB1      HIS 185 -14.211  -3.291  -6.566
  450    HD1  HIS 185           HD1      HIS 185 -13.053  -1.249  -7.587
  451    HD2  HIS 185           HD2      HIS 185 -16.110  -2.789  -9.953
  452    HE1  HIS 185           HE1      HIS 185 -13.463   0.472  -9.382
  453    HE2  HIS 185           HE2      HIS 185 -15.230  -0.539 -10.865
  454    H    PHE 186           H        PHE 186 -12.135  -5.157  -6.078
  455    HA   PHE 186           HA       PHE 186 -10.047  -3.391  -6.715
  456    HB2  PHE 186           HB2      PHE 186 -10.553  -4.247  -4.441
  457    HB3  PHE 186           HB1      PHE 186  -9.993  -5.840  -4.937
  458    HD1  PHE 186           HD1      PHE 186  -8.915  -2.338  -4.463
  459    HD2  PHE 186           HD2      PHE 186  -7.739  -6.408  -4.819
  460    HE1  PHE 186           HE1      PHE 186  -6.634  -1.733  -3.796
  461    HE2  PHE 186           HE2      PHE 186  -5.455  -5.810  -4.155
  462    HZ   PHE 186           HZ       PHE 186  -4.892  -3.467  -3.641
  463    H    LYS 187           H        LYS 187 -10.686  -6.697  -7.584
  464    HA   LYS 187           HA       LYS 187  -8.063  -7.289  -8.539
  465    HB2  LYS 187           HB2      LYS 187 -10.742  -8.567  -9.092
  466    HB3  LYS 187           HB1      LYS 187  -9.227  -9.185  -9.731
  467    HG2  LYS 187           HG2      LYS 187  -8.408  -9.548  -7.463
  468    HG3  LYS 187           HG1      LYS 187  -9.915  -8.905  -6.809
  469    HD2  LYS 187           HD2      LYS 187 -11.161 -10.717  -7.883
  470    HD3  LYS 187           HD1      LYS 187  -9.662 -11.346  -8.569
  471    HE2  LYS 187           HE2      LYS 187 -10.274 -12.630  -6.612
  472    HE3  LYS 187           HE1      LYS 187  -8.800 -11.719  -6.293
  473    HZ1  LYS 187           HZ1      LYS 187 -11.532 -10.933  -5.423
  474    HZ2  LYS 187           HZ2      LYS 187 -10.099 -10.090  -5.087
  475    HZ3  LYS 187           HZ3      LYS 187 -10.349 -11.630  -4.430
  476    H    SER 188           H        SER 188 -10.352  -5.162  -9.702
  477    HA   SER 188           HA       SER 188  -9.157  -5.277 -12.377
  478    HB2  SER 188           HB2      SER 188 -11.455  -6.307 -12.379
  479    HB3  SER 188           HB1      SER 188 -12.098  -4.737 -11.897
  480    HG   SER 188           HG       SER 188 -10.410  -4.823 -14.127
  481    H    ILE 189           H        ILE 189  -7.986  -3.629 -10.824
  482    HA   ILE 189           HA       ILE 189  -9.197  -0.987 -11.277
  483    HB   ILE 189           HB       ILE 189  -7.084  -1.852  -9.299
  484   HG12  ILE 189          2HG1      ILE 189  -9.838  -0.659  -8.926
  485   HG13  ILE 189          1HG1      ILE 189  -9.405  -2.344  -8.662
  486   HG21  ILE 189          1HG2      ILE 189  -7.024   0.487  -8.548
  487   HG22  ILE 189          2HG2      ILE 189  -8.072   0.934  -9.895
  488   HG23  ILE 189          3HG2      ILE 189  -6.453   0.305 -10.207
  489   HD11  ILE 189          3HD1      ILE 189  -8.327   0.005  -7.129
  490   HD12  ILE 189          1HD1      ILE 189  -7.916  -1.688  -6.859
  491   HD13  ILE 189          2HD1      ILE 189  -9.563  -1.123  -6.570
  492    HA   PRO 190           HA       PRO 190  -6.013  -0.581 -14.443
  493    HB2  PRO 190           HB2      PRO 190  -7.139   2.126 -14.692
  494    HB3  PRO 190           HB1      PRO 190  -7.037   0.841 -15.900
  495    HG2  PRO 190           HG2      PRO 190  -9.382   1.576 -14.801
  496    HG3  PRO 190           HG1      PRO 190  -9.042  -0.104 -15.259
  497    HD2  PRO 190           HD2      PRO 190  -8.958   1.179 -12.551
  498    HD3  PRO 190           HD1      PRO 190  -9.597  -0.410 -13.027
  499    H    VAL 191           H        VAL 191  -3.974   0.097 -14.139
  500    HA   VAL 191           HA       VAL 191  -3.476   2.367 -12.369
  501    HB   VAL 191           HB       VAL 191  -3.591   0.147 -11.088
  502   HG11  VAL 191          1HG1      VAL 191  -1.554  -1.192 -11.057
  503   HG12  VAL 191          2HG1      VAL 191  -0.907  -0.236 -12.391
  504   HG13  VAL 191          3HG1      VAL 191  -2.343  -1.231 -12.634
  505   HG21  VAL 191          3HG2      VAL 191  -1.126   1.854 -10.861
  506   HG22  VAL 191          1HG2      VAL 191  -1.744   0.765  -9.616
  507   HG23  VAL 191          2HG2      VAL 191  -2.694   2.166 -10.115
  508    H    ASN 192           H        ASN 192  -1.284   3.182 -12.511
  509    HA   ASN 192           HA       ASN 192   0.252   2.227 -14.829
  510    HB2  ASN 192           HB2      ASN 192  -0.534   5.100 -14.283
  511    HB3  ASN 192           HB1      ASN 192   0.700   4.625 -15.443
  512   HD21  ASN 192          1HD2      ASN 192   0.074   3.518 -17.321
  513   HD22  ASN 192          2HD2      ASN 192  -1.550   3.604 -17.913
  514    H    GLU 193           H        GLU 193   2.331   1.931 -14.306
  515    HA   GLU 193           HA       GLU 193   3.245   2.022 -11.713
  516    HB2  GLU 193           HB2      GLU 193   4.330   0.719 -13.492
  517    HB3  GLU 193           HB1      GLU 193   4.937   2.205 -14.212
  518    HG2  GLU 193           HG2      GLU 193   6.131   2.632 -12.029
  519    HG3  GLU 193           HG1      GLU 193   5.705   0.984 -11.576
  520    H    LYS 194           H        LYS 194   4.309   4.285 -14.265
  521    HA   LYS 194           HA       LYS 194   5.953   5.815 -12.613
  522    HB2  LYS 194           HB2      LYS 194   6.085   5.850 -15.047
  523    HB3  LYS 194           HB1      LYS 194   4.514   6.631 -15.138
  524    HG2  LYS 194           HG2      LYS 194   6.225   8.266 -15.488
  525    HG3  LYS 194           HG1      LYS 194   5.451   8.572 -13.932
  526    HD2  LYS 194           HD2      LYS 194   7.309   7.432 -12.796
  527    HD3  LYS 194           HD1      LYS 194   8.086   7.159 -14.357
  528    HE2  LYS 194           HE2      LYS 194   9.095   9.067 -13.296
  529    HE3  LYS 194           HE1      LYS 194   8.171   9.607 -14.696
  530    HZ1  LYS 194           HZ1      LYS 194   7.276   9.738 -11.865
  531    HZ2  LYS 194           HZ2      LYS 194   6.369  10.251 -13.206
  532    HZ3  LYS 194           HZ3      LYS 194   7.813  11.047 -12.801
  533    H    ASP 195           H        ASP 195   2.634   6.513 -13.689
  534    HA   ASP 195           HA       ASP 195   2.470   8.965 -12.287
  535    HB2  ASP 195           HB2      ASP 195   0.443   7.193 -13.608
  536    HB3  ASP 195           HB1      ASP 195  -0.077   8.569 -12.639
  537    H    THR 196           H        THR 196   1.406   5.688 -11.482
  538    HA   THR 196           HA       THR 196   0.028   6.399  -9.122
  539    HB   THR 196           HB       THR 196   1.296   3.774  -9.913
  540    HG1  THR 196           HG1      THR 196  -1.035   5.092 -10.553
  541   HG21  THR 196          3HG2      THR 196  -0.198   2.753  -8.258
  542   HG22  THR 196          1HG2      THR 196  -0.736   4.355  -7.753
  543   HG23  THR 196          2HG2      THR 196   0.938   3.864  -7.492
  544    H    LEU 197           H        LEU 197   3.389   5.393  -9.707
  545    HA   LEU 197           HA       LEU 197   4.205   5.418  -7.007
  546    HB2  LEU 197           HB2      LEU 197   5.833   6.041  -9.473
  547    HB3  LEU 197           HB1      LEU 197   6.490   5.712  -7.884
  548    HG   LEU 197           HG       LEU 197   5.055   3.784  -9.700
  549   HD11  LEU 197          1HD1      LEU 197   7.370   4.169 -10.269
  550   HD12  LEU 197          2HD1      LEU 197   7.184   2.563  -9.565
  551   HD13  LEU 197          3HD1      LEU 197   7.857   3.879  -8.598
  552   HD21  LEU 197          3HD2      LEU 197   4.342   3.436  -7.383
  553   HD22  LEU 197          1HD2      LEU 197   6.029   3.326  -6.883
  554   HD23  LEU 197          2HD2      LEU 197   5.349   2.110  -7.965
  555    H    THR 198           H        THR 198   4.153   7.912  -9.504
  556    HA   THR 198           HA       THR 198   5.392   9.962  -8.072
  557    HB   THR 198           HB       THR 198   3.213  10.254 -10.154
  558    HG1  THR 198           HG1      THR 198   4.972   9.047 -10.959
  559   HG21  THR 198          3HG2      THR 198   5.377  12.180  -9.288
  560   HG22  THR 198          1HG2      THR 198   3.659  12.329  -8.914
  561   HG23  THR 198          2HG2      THR 198   4.211  12.443 -10.585
  562    H    CYS 199           H        CYS 199   1.910   9.201  -8.363
  563    HA   CYS 199           HA       CYS 199   0.942  11.240  -6.714
  564    HB2  CYS 199           HB2      CYS 199  -0.170   8.452  -7.121
  565    HB3  CYS 199           HB1      CYS 199  -1.049   9.797  -6.401
  566    HG   CYS 199           HG       CYS 199  -1.986  10.716  -8.597
  567    H    PHE 200           H        PHE 200   1.855   7.908  -5.904
  568    HA   PHE 200           HA       PHE 200   1.262   7.976  -3.184
  569    HB2  PHE 200           HB2      PHE 200   1.709   5.868  -4.177
  570    HB3  PHE 200           HB1      PHE 200   3.286   6.394  -4.766
  571    HD1  PHE 200           HD1      PHE 200   1.448   5.999  -1.536
  572    HD2  PHE 200           HD2      PHE 200   5.140   5.689  -3.631
  573    HE1  PHE 200           HE1      PHE 200   2.511   5.073   0.480
  574    HE2  PHE 200           HE2      PHE 200   6.208   4.767  -1.617
  575    HZ   PHE 200           HZ       PHE 200   4.894   4.457   0.440
  576    H    ILE 201           H        ILE 201   4.417   8.528  -4.754
  577    HA   ILE 201           HA       ILE 201   5.846   9.130  -2.437
  578    HB   ILE 201           HB       ILE 201   6.297  10.187  -5.235
  579   HG12  ILE 201          2HG1      ILE 201   7.584   7.839  -3.823
  580   HG13  ILE 201          1HG1      ILE 201   6.294   7.701  -5.016
  581   HG21  ILE 201          1HG2      ILE 201   8.168  10.091  -2.873
  582   HG22  ILE 201          2HG2      ILE 201   7.478  11.539  -3.607
  583   HG23  ILE 201          3HG2      ILE 201   8.618  10.548  -4.517
  584   HD11  ILE 201          3HD1      ILE 201   9.084   8.733  -5.460
  585   HD12  ILE 201          1HD1      ILE 201   7.792   8.816  -6.660
  586   HD13  ILE 201          2HD1      ILE 201   8.369   7.251  -6.095
  587    H    TYR 202           H        TYR 202   4.070  11.219  -4.657
  588    HA   TYR 202           HA       TYR 202   4.836  13.695  -3.598
  589    HB2  TYR 202           HB2      TYR 202   3.637  13.134  -5.811
  590    HB3  TYR 202           HB1      TYR 202   2.155  13.169  -4.863
  591    HD1  TYR 202           HD1      TYR 202   4.936  15.183  -6.170
  592    HD2  TYR 202           HD2      TYR 202   1.229  15.259  -4.082
  593    HE1  TYR 202           HE1      TYR 202   4.812  17.618  -6.487
  594    HE2  TYR 202           HE2      TYR 202   1.096  17.694  -4.397
  595    HH   TYR 202           HH       TYR 202   2.703  19.595  -4.795
  596    H    SER 203           H        SER 203   1.762  11.921  -3.079
  597    HA   SER 203           HA       SER 203   0.736  13.809  -1.268
  598    HB2  SER 203           HB2      SER 203   0.024  10.895  -1.653
  599    HB3  SER 203           HB1      SER 203  -0.921  12.039  -0.701
  600    HG   SER 203           HG       SER 203  -1.491  13.110  -2.500
  601    H    VAL 204           H        VAL 204   2.472  10.747  -0.685
  602    HA   VAL 204           HA       VAL 204   2.018  10.826   2.113
  603    HB   VAL 204           HB       VAL 204   4.187   9.332   0.626
  604   HG11  VAL 204          1HG1      VAL 204   4.642   9.515   3.021
  605   HG12  VAL 204          2HG1      VAL 204   4.228   7.860   2.573
  606   HG13  VAL 204          3HG1      VAL 204   3.035   8.880   3.378
  607   HG21  VAL 204          3HG2      VAL 204   2.659   7.423   0.748
  608   HG22  VAL 204          1HG2      VAL 204   1.964   8.752  -0.179
  609   HG23  VAL 204          2HG2      VAL 204   1.428   8.457   1.475
  610    H    ARG 205           H        ARG 205   4.628  12.085   0.079
  611    HA   ARG 205           HA       ARG 205   6.229  12.842   2.353
  612    HB2  ARG 205           HB2      ARG 205   6.396  13.545  -0.573
  613    HB3  ARG 205           HB1      ARG 205   7.511  14.187   0.626
  614    HG2  ARG 205           HG2      ARG 205   8.223  11.928   1.190
  615    HG3  ARG 205           HG1      ARG 205   7.087  11.270   0.013
  616    HD2  ARG 205           HD2      ARG 205   9.266  11.299  -0.977
  617    HD3  ARG 205           HD1      ARG 205   8.281  12.532  -1.761
  618    HE   ARG 205           HE       ARG 205   9.580  13.893   0.212
  619   HH11  ARG 205          1HH1      ARG 205  10.632  11.796  -2.396
  620   HH12  ARG 205          2HH1      ARG 205  12.162  12.585  -2.589
  621   HH21  ARG 205          1HH2      ARG 205  11.600  14.964  -0.075
  622   HH22  ARG 205          2HH2      ARG 205  12.709  14.381  -1.286
  623    H    ASN 206           H        ASN 206   3.481  14.124   0.867
  624    HA   ASN 206           HA       ASN 206   4.034  16.810   1.921
  625    HB2  ASN 206           HB2      ASN 206   2.162  15.779  -0.182
  626    HB3  ASN 206           HB1      ASN 206   1.795  17.288   0.644
  627   HD21  ASN 206          1HD2      ASN 206   3.104  19.070   0.309
  628   HD22  ASN 206          2HD2      ASN 206   4.240  19.152  -0.995
  629    H    ASP 207           H        ASP 207   0.951  15.124   1.514
  630    HA   ASP 207           HA       ASP 207   0.449  15.554   4.373
  631    HB2  ASP 207           HB2      ASP 207  -1.982  15.869   3.732
  632    HB3  ASP 207           HB1      ASP 207  -0.895  17.169   3.264
  633    H    LYS 208           H        LYS 208   0.558  13.692   5.291
  634    HA   LYS 208           HA       LYS 208  -0.112  11.223   4.003
  635    HB2  LYS 208           HB2      LYS 208   0.470  11.841   6.906
  636    HB3  LYS 208           HB1      LYS 208   0.414  10.234   6.195
  637    HG2  LYS 208           HG2      LYS 208   2.398  10.518   5.060
  638    HG3  LYS 208           HG1      LYS 208   2.277  12.279   5.079
  639    HD2  LYS 208           HD2      LYS 208   2.770  12.327   7.442
  640    HD3  LYS 208           HD1      LYS 208   2.754  10.564   7.515
  641    HE2  LYS 208           HE2      LYS 208   5.031  11.495   7.466
  642    HE3  LYS 208           HE1      LYS 208   4.696  10.450   6.089
  643    HZ1  LYS 208           HZ1      LYS 208   4.729  13.420   6.095
  644    HZ2  LYS 208           HZ2      LYS 208   4.265  12.463   4.774
  645    HZ3  LYS 208           HZ3      LYS 208   5.853  12.385   5.355
  646    H    ASN 209           H        ASN 209  -2.265  11.378   3.424
  647    HA   ASN 209           HA       ASN 209  -4.503  11.118   3.615
  648    HB2  ASN 209           HB2      ASN 209  -3.978   9.222   5.070
  649    HB3  ASN 209           HB1      ASN 209  -3.862  10.296   6.459
  650   HD21  ASN 209          1HD2      ASN 209  -5.751  11.107   7.386
  651   HD22  ASN 209          2HD2      ASN 209  -7.310  10.459   7.012
  652    H    LYS 210           H        LYS 210  -4.807  13.314   3.265
  653    HA   LYS 210           HA       LYS 210  -5.059  15.147   5.483
  654    HB2  LYS 210           HB2      LYS 210  -4.234  15.875   3.259
  655    HB3  LYS 210           HB1      LYS 210  -5.796  15.471   2.563
  656    HG2  LYS 210           HG2      LYS 210  -6.842  17.170   4.023
  657    HG3  LYS 210           HG1      LYS 210  -5.235  17.612   4.603
  658    HD2  LYS 210           HD2      LYS 210  -4.575  18.191   2.315
  659    HD3  LYS 210           HD1      LYS 210  -6.185  17.754   1.743
  660    HE2  LYS 210           HE2      LYS 210  -7.135  19.495   3.223
  661    HE3  LYS 210           HE1      LYS 210  -5.496  19.972   3.665
  662    HZ1  LYS 210           HZ1      LYS 210  -5.064  20.529   1.361
  663    HZ2  LYS 210           HZ2      LYS 210  -6.416  21.382   1.920
  664    HZ3  LYS 210           HZ3      LYS 210  -6.623  20.032   0.914
  665    H    SER 211           H        SER 211  -6.963  15.876   6.393
  666    HA   SER 211           HA       SER 211  -9.243  14.161   6.025
  667    HB2  SER 211           HB2      SER 211 -10.217  15.730   7.830
  668    HB3  SER 211           HB1      SER 211  -8.853  14.704   8.275
  669    HG   SER 211           HG       SER 211  -8.500  16.822   8.991
  670    H    ASP 212           H        ASP 212  -9.155  17.707   6.255
  671    HA   ASP 212           HA       ASP 212 -10.432  19.323   5.284
  672    HB2  ASP 212           HB2      ASP 212  -8.725  18.878   3.552
  673    HB3  ASP 212           HB1      ASP 212  -9.819  17.729   2.790
  674    H    LEU 213           H        LEU 213 -12.407  18.840   6.257
  675    HA   LEU 213           HA       LEU 213 -14.225  16.988   5.010
  676    HB2  LEU 213           HB2      LEU 213 -14.543  18.872   7.345
  677    HB3  LEU 213           HB1      LEU 213 -15.829  17.834   6.768
  678    HG   LEU 213           HG       LEU 213 -14.909  16.739   8.639
  679   HD11  LEU 213          1HD1      LEU 213 -15.337  15.254   6.768
  680   HD12  LEU 213          2HD1      LEU 213 -13.972  14.681   7.727
  681   HD13  LEU 213          3HD1      LEU 213 -13.688  15.491   6.186
  682   HD21  LEU 213          3HD2      LEU 213 -12.175  17.163   7.441
  683   HD22  LEU 213          1HD2      LEU 213 -12.526  16.265   8.919
  684   HD23  LEU 213          2HD2      LEU 213 -12.840  17.999   8.843
  685    H    LYS 214           H        LYS 214 -15.159  17.552   3.166
  686    HA   LYS 214           HA       LYS 214 -16.737  19.984   3.071
  687    HB2  LYS 214           HB2      LYS 214 -14.495  20.636   2.200
  688    HB3  LYS 214           HB1      LYS 214 -14.652  19.404   0.957
  689    HG2  LYS 214           HG2      LYS 214 -15.180  21.529   0.002
  690    HG3  LYS 214           HG1      LYS 214 -16.667  20.586   0.115
  691    HD2  LYS 214           HD2      LYS 214 -17.240  21.784   2.189
  692    HD3  LYS 214           HD1      LYS 214 -15.779  22.757   2.016
  693    HE2  LYS 214           HE2      LYS 214 -17.724  23.971   1.200
  694    HE3  LYS 214           HE1      LYS 214 -16.610  23.615  -0.121
  695    HZ1  LYS 214           HZ1      LYS 214 -19.047  22.043   0.517
  696    HZ2  LYS 214           HZ2      LYS 214 -18.009  21.794  -0.799
  697    HZ3  LYS 214           HZ3      LYS 214 -18.940  23.203  -0.714
  698    H    ALA 215           H        ALA 215 -18.593  19.670   1.953
  699    HA   ALA 215           HA       ALA 215 -18.965  17.092   0.647
  700    HB1  ALA 215           HB1      ALA 215 -20.672  17.843   2.227
  701    HB2  ALA 215           HB2      ALA 215 -21.336  17.674   0.602
  702    HB3  ALA 215           HB3      ALA 215 -20.961  19.275   1.239
  703    H    ASP 216           H        ASP 216 -19.011  16.825  -1.492
  704    HA   ASP 216           HA       ASP 216 -18.475  19.108  -3.187
  705    HB2  ASP 216           HB2      ASP 216 -17.153  17.197  -3.678
  706    HB3  ASP 216           HB1      ASP 216 -18.557  16.135  -3.688
  707    H    SER 217           H        SER 217 -20.699  16.365  -3.640
  708    HA   SER 217           HA       SER 217 -22.333  17.990  -5.376
  709    HB2  SER 217           HB2      SER 217 -22.832  15.143  -4.488
  710    HB3  SER 217           HB1      SER 217 -23.468  15.951  -5.922
  711    HG   SER 217           HG       SER 217 -20.807  16.129  -5.983
  712    H    GLY 218           H        GLY 218 -23.850  19.285  -4.579
  713    HA2  GLY 218           HA2      GLY 218 -25.002  18.868  -1.968
  714    HA3  GLY 218           HA1      GLY 218 -25.418  20.144  -3.104
  715    H    VAL 219           H        VAL 219 -25.851  16.703  -2.447
  716    HA   VAL 219           HA       VAL 219 -27.982  16.397  -4.339
  717    HB   VAL 219           HB       VAL 219 -26.523  14.511  -3.743
  718   HG11  VAL 219          1HG1      VAL 219 -26.140  14.990  -1.403
  719   HG12  VAL 219          2HG1      VAL 219 -26.792  13.363  -1.585
  720   HG13  VAL 219          3HG1      VAL 219 -27.835  14.673  -1.033
  721   HG21  VAL 219          3HG2      VAL 219 -28.269  12.807  -3.442
  722   HG22  VAL 219          1HG2      VAL 219 -28.719  14.022  -4.639
  723   HG23  VAL 219          2HG2      VAL 219 -29.419  14.076  -3.020
  724    H    HIS 220           H        HIS 220 -27.728  17.197  -0.970
  725    HA   HIS 220           HA       HIS 220 -30.505  17.948  -0.883
  726    HB2  HIS 220           HB2      HIS 220 -30.656  15.553  -0.309
  727    HB3  HIS 220           HB1      HIS 220 -29.476  15.783   0.977
  728    HD1  HIS 220           HD1      HIS 220 -32.977  16.881   0.030
  729    HD2  HIS 220           HD2      HIS 220 -30.556  16.470   3.385
  730    HE1  HIS 220           HE1      HIS 220 -34.466  17.353   2.004
  731    HE2  HIS 220           HE2      HIS 220 -33.024  16.906   4.026
  732    H1   SER 454           HT1      SER 454  12.308  10.499 -18.518
  733    H2   SER 454           HT2      SER 454  11.338  11.426 -17.480
  734    H3   SER 454           HT3      SER 454  12.485  10.355 -16.840
  735    HA   SER 454           HA       SER 454  14.273  11.646 -17.776
  736    HB2  SER 454           HB2      SER 454  12.048  13.514 -18.642
  737    HB3  SER 454           HB1      SER 454  13.775  13.823 -18.815
  738    HG   SER 454           HG       SER 454  13.815  11.824 -20.100
  739    H    ASN 455           H        ASN 455  15.263  12.488 -16.082
  740    HA   ASN 455           HA       ASN 455  15.723  13.647 -14.187
  741    HB2  ASN 455           HB2      ASN 455  13.419  15.275 -15.237
  742    HB3  ASN 455           HB1      ASN 455  14.236  15.698 -13.738
  743   HD21  ASN 455          1HD2      ASN 455  16.253  16.573 -13.797
  744   HD22  ASN 455          2HD2      ASN 455  17.032  17.065 -15.264
  745    H    ALA 456           H        ALA 456  13.887  11.335 -14.086
  746    HA   ALA 456           HA       ALA 456  12.195  12.051 -11.797
  747    HB1  ALA 456           HB1      ALA 456  11.119  10.825 -13.625
  748    HB2  ALA 456           HB2      ALA 456  11.106   9.900 -12.124
  749    HB3  ALA 456           HB3      ALA 456  12.255   9.495 -13.400
  750    H    SER 457           H        SER 457  13.984   9.078 -12.585
  751    HA   SER 457           HA       SER 457  14.626   8.755  -9.767
  752    HB2  SER 457           HB2      SER 457  15.487   6.491 -10.649
  753    HB3  SER 457           HB1      SER 457  13.751   6.786 -10.732
  754    HG   SER 457           HG       SER 457  14.206   6.096 -12.724
  755    H    LYS 458           H        LYS 458  15.975  10.842 -11.159
  756    HA   LYS 458           HA       LYS 458  18.688   9.792 -11.528
  757    HB2  LYS 458           HB2      LYS 458  17.442  12.420 -12.340
  758    HB3  LYS 458           HB1      LYS 458  19.148  12.041 -12.542
  759    HG2  LYS 458           HG2      LYS 458  16.868  10.516 -13.788
  760    HG3  LYS 458           HG1      LYS 458  17.859  11.728 -14.605
  761    HD2  LYS 458           HD2      LYS 458  19.835  10.368 -14.297
  762    HD3  LYS 458           HD1      LYS 458  18.911   9.188 -13.366
  763    HE2  LYS 458           HE2      LYS 458  17.568   8.663 -15.316
  764    HE3  LYS 458           HE1      LYS 458  18.411   9.899 -16.252
  765    HZ1  LYS 458           HZ1      LYS 458  19.227   7.612 -16.642
  766    HZ2  LYS 458           HZ2      LYS 458  19.744   7.545 -15.030
  767    HZ3  LYS 458           HZ3      LYS 458  20.433   8.674 -16.094
  768    H    HIS 459           H        HIS 459  17.376  12.882 -10.324
  769    HA   HIS 459           HA       HIS 459  19.426  12.759  -8.209
  770    HB2  HIS 459           HB2      HIS 459  19.638  14.551 -10.004
  771    HB3  HIS 459           HB1      HIS 459  18.182  15.270  -9.326
  772    HD1  HIS 459           HD1      HIS 459  21.823  14.869  -8.740
  773    HD2  HIS 459           HD2      HIS 459  18.518  16.445  -6.767
  774    HE1  HIS 459           HE1      HIS 459  22.752  16.279  -6.876
  775    HE2  HIS 459           HE2      HIS 459  20.736  17.045  -5.574
  776    H    GLY 460           H        GLY 460  16.095  13.600  -8.980
  777    HA2  GLY 460           HA2      GLY 460  15.408  14.413  -6.326
  778    HA3  GLY 460           HA1      GLY 460  14.284  14.037  -7.625
  779    H    VAL 461           H        VAL 461  14.043  11.665  -8.119
  780    HA   VAL 461           HA       VAL 461  13.496  10.288  -5.641
  781    HB   VAL 461           HB       VAL 461  13.054   9.402  -8.502
  782   HG11  VAL 461          1HG1      VAL 461  13.176   7.493  -7.006
  783   HG12  VAL 461          2HG1      VAL 461  11.513   7.750  -7.535
  784   HG13  VAL 461          3HG1      VAL 461  12.010   8.247  -5.918
  785   HG21  VAL 461          3HG2      VAL 461  10.702   9.984  -8.075
  786   HG22  VAL 461          1HG2      VAL 461  11.768  11.384  -7.968
  787   HG23  VAL 461          2HG2      VAL 461  11.163  10.623  -6.496
  788    H    GLY 462           H        GLY 462  14.866   8.946  -4.672
  789    HA2  GLY 462           HA2      GLY 462  16.874   7.565  -6.338
  790    HA3  GLY 462           HA1      GLY 462  17.360   8.423  -4.883
  791    H    THR 463           H        THR 463  16.037   7.746  -2.884
  792    HA   THR 463           HA       THR 463  16.499   4.939  -2.566
  793    HB   THR 463           HB       THR 463  16.992   6.519  -0.753
  794    HG1  THR 463           HG1      THR 463  16.718   4.600   0.157
  795   HG21  THR 463          3HG2      THR 463  15.180   8.104  -1.050
  796   HG22  THR 463          1HG2      THR 463  15.155   7.468   0.593
  797   HG23  THR 463          2HG2      THR 463  13.999   6.877  -0.600
  798    H    GLU 464           H        GLU 464  13.754   6.960  -3.203
  799    HA   GLU 464           HA       GLU 464  11.724   5.107  -2.524
  800    HB2  GLU 464           HB2      GLU 464  11.532   7.139  -4.749
  801    HB3  GLU 464           HB1      GLU 464  10.230   6.492  -3.763
  802    HG2  GLU 464           HG2      GLU 464  10.446   8.493  -2.750
  803    HG3  GLU 464           HG1      GLU 464  11.673   7.622  -1.831
  804    H    SER 465           H        SER 465  13.496   5.765  -5.514
  805    HA   SER 465           HA       SER 465  12.172   3.837  -7.103
  806    HB2  SER 465           HB2      SER 465  13.620   5.746  -7.939
  807    HB3  SER 465           HB1      SER 465  15.024   4.800  -7.448
  808    HG   SER 465           HG       SER 465  13.275   3.355  -8.966
  809    H    LEU 466           H        LEU 466  14.922   3.737  -4.934
  810    HA   LEU 466           HA       LEU 466  15.820   1.126  -5.412
  811    HB2  LEU 466           HB2      LEU 466  17.060   2.708  -4.039
  812    HB3  LEU 466           HB1      LEU 466  15.759   2.752  -2.866
  813    HG   LEU 466           HG       LEU 466  16.194   0.318  -2.415
  814   HD11  LEU 466          1HD1      LEU 466  18.376  -0.568  -3.099
  815   HD12  LEU 466          2HD1      LEU 466  18.635   0.868  -4.091
  816   HD13  LEU 466          3HD1      LEU 466  17.325  -0.248  -4.479
  817   HD21  LEU 466          3HD2      LEU 466  18.499   2.201  -1.928
  818   HD22  LEU 466          1HD2      LEU 466  18.131   0.738  -1.013
  819   HD23  LEU 466          2HD2      LEU 466  17.027   2.113  -0.961
  820    H    PHE 467           H        PHE 467  13.443   2.362  -3.071
  821    HA   PHE 467           HA       PHE 467  12.591  -0.039  -1.975
  822    HB2  PHE 467           HB2      PHE 467  11.898   2.055  -1.023
  823    HB3  PHE 467           HB1      PHE 467  11.085   2.525  -2.511
  824    HD1  PHE 467           HD1      PHE 467  10.989  -0.015   0.200
  825    HD2  PHE 467           HD2      PHE 467   8.822   2.119  -2.775
  826    HE1  PHE 467           HE1      PHE 467   8.886  -0.944   1.071
  827    HE2  PHE 467           HE2      PHE 467   6.714   1.188  -1.914
  828    HZ   PHE 467           HZ       PHE 467   6.744  -0.345   0.014
  829    H    PHE 468           H        PHE 468  11.249   1.674  -4.809
  830    HA   PHE 468           HA       PHE 468   9.208  -0.224  -5.270
  831    HB2  PHE 468           HB2      PHE 468  10.426   1.813  -7.139
  832    HB3  PHE 468           HB1      PHE 468   8.982   0.869  -7.500
  833    HD1  PHE 468           HD1      PHE 468   7.416   0.896  -5.128
  834    HD2  PHE 468           HD2      PHE 468   9.850   3.994  -6.734
  835    HE1  PHE 468           HE1      PHE 468   6.036   2.573  -3.971
  836    HE2  PHE 468           HE2      PHE 468   8.478   5.673  -5.576
  837    HZ   PHE 468           HZ       PHE 468   6.570   4.966  -4.194
  838    H    ASP 469           H        ASP 469  12.501   0.045  -6.505
  839    HA   ASP 469           HA       ASP 469  12.359  -2.026  -8.404
  840    HB2  ASP 469           HB2      ASP 469  14.298  -0.486  -8.202
  841    HB3  ASP 469           HB1      ASP 469  14.731  -1.258  -6.679
  842    H    LYS 470           H        LYS 470  13.176  -2.051  -4.959
  843    HA   LYS 470           HA       LYS 470  13.588  -4.794  -4.640
  844    HB2  LYS 470           HB2      LYS 470  12.549  -2.698  -2.738
  845    HB3  LYS 470           HB1      LYS 470  12.856  -4.355  -2.244
  846    HG2  LYS 470           HG2      LYS 470  15.194  -4.129  -2.731
  847    HG3  LYS 470           HG1      LYS 470  14.934  -2.527  -3.425
  848    HD2  LYS 470           HD2      LYS 470  14.324  -1.626  -1.294
  849    HD3  LYS 470           HD1      LYS 470  14.294  -3.232  -0.565
  850    HE2  LYS 470           HE2      LYS 470  16.767  -1.998  -1.757
  851    HE3  LYS 470           HE1      LYS 470  16.328  -1.838  -0.056
  852    HZ1  LYS 470           HZ1      LYS 470  16.609  -4.474  -1.380
  853    HZ2  LYS 470           HZ2      LYS 470  16.565  -4.137   0.286
  854    HZ3  LYS 470           HZ3      LYS 470  17.912  -3.686  -0.640
  855    H    VAL 471           H        VAL 471  10.594  -2.894  -4.272
  856    HA   VAL 471           HA       VAL 471   8.900  -5.011  -3.564
  857    HB   VAL 471           HB       VAL 471   8.180  -2.519  -5.127
  858   HG11  VAL 471          1HG1      VAL 471   6.441  -4.403  -3.535
  859   HG12  VAL 471          2HG1      VAL 471   6.436  -4.203  -5.288
  860   HG13  VAL 471          3HG1      VAL 471   5.913  -2.878  -4.247
  861   HG21  VAL 471          3HG2      VAL 471   8.130  -3.049  -2.157
  862   HG22  VAL 471          1HG2      VAL 471   7.548  -1.587  -2.953
  863   HG23  VAL 471          2HG2      VAL 471   9.262  -1.997  -3.005
  864    H    ARG 472           H        ARG 472   9.672  -3.665  -6.756
  865    HA   ARG 472           HA       ARG 472   7.986  -5.320  -8.283
  866    HB2  ARG 472           HB2      ARG 472   9.702  -3.230  -8.780
  867    HB3  ARG 472           HB1      ARG 472  10.544  -4.573  -9.532
  868    HG2  ARG 472           HG2      ARG 472   7.683  -3.852 -10.119
  869    HG3  ARG 472           HG1      ARG 472   9.061  -3.266 -11.050
  870    HD2  ARG 472           HD2      ARG 472   9.669  -5.617 -11.538
  871    HD3  ARG 472           HD1      ARG 472   8.209  -6.138 -10.695
  872    HE   ARG 472           HE       ARG 472   7.444  -4.284 -12.634
  873   HH11  ARG 472          1HH1      ARG 472   8.853  -7.507 -12.524
  874   HH12  ARG 472          2HH1      ARG 472   8.197  -7.970 -14.072
  875   HH21  ARG 472          1HH2      ARG 472   6.592  -4.908 -14.642
  876   HH22  ARG 472          2HH2      ARG 472   6.912  -6.494 -15.268
  877    H    LYS 473           H        LYS 473  11.267  -5.740  -7.092
  878    HA   LYS 473           HA       LYS 473  11.766  -8.116  -8.642
  879    HB2  LYS 473           HB2      LYS 473  13.430  -6.307  -7.762
  880    HB3  LYS 473           HB1      LYS 473  13.399  -7.253  -6.282
  881    HG2  LYS 473           HG2      LYS 473  14.145  -9.220  -7.530
  882    HG3  LYS 473           HG1      LYS 473  14.197  -8.251  -9.005
  883    HD2  LYS 473           HD2      LYS 473  15.752  -6.696  -7.635
  884    HD3  LYS 473           HD1      LYS 473  15.940  -8.095  -6.574
  885    HE2  LYS 473           HE2      LYS 473  17.722  -8.075  -8.198
  886    HE3  LYS 473           HE1      LYS 473  16.644  -9.432  -8.527
  887    HZ1  LYS 473           HZ1      LYS 473  17.300  -8.203 -10.541
  888    HZ2  LYS 473           HZ2      LYS 473  16.531  -6.817  -9.934
  889    HZ3  LYS 473           HZ3      LYS 473  15.621  -8.200 -10.298
  890    H    ALA 474           H        ALA 474  10.675  -7.357  -5.414
  891    HA   ALA 474           HA       ALA 474  11.115 -10.001  -4.375
  892    HB1  ALA 474           HB1      ALA 474  11.232  -8.023  -2.933
  893    HB2  ALA 474           HB2      ALA 474  10.032  -9.182  -2.363
  894    HB3  ALA 474           HB3      ALA 474   9.517  -7.724  -3.211
  895    H    LEU 475           H        LEU 475   8.244  -8.109  -5.323
  896    HA   LEU 475           HA       LEU 475   6.402 -10.162  -4.698
  897    HB2  LEU 475           HB2      LEU 475   6.078  -7.886  -6.655
  898    HB3  LEU 475           HB1      LEU 475   4.781  -8.869  -6.004
  899    HG   LEU 475           HG       LEU 475   6.468  -6.833  -4.563
  900   HD11  LEU 475          1HD1      LEU 475   3.488  -7.142  -4.914
  901   HD12  LEU 475          2HD1      LEU 475   4.521  -5.993  -5.763
  902   HD13  LEU 475          3HD1      LEU 475   4.295  -5.854  -4.019
  903   HD21  LEU 475          3HD2      LEU 475   4.571  -8.824  -3.320
  904   HD22  LEU 475          1HD2      LEU 475   5.387  -7.500  -2.489
  905   HD23  LEU 475          2HD2      LEU 475   6.327  -8.834  -3.154
  906    H    ARG 476           H        ARG 476   8.020  -9.212  -7.676
  907    HA   ARG 476           HA       ARG 476   8.697 -10.404  -9.465
  908    HB2  ARG 476           HB2      ARG 476   7.694 -12.768  -7.877
  909    HB3  ARG 476           HB1      ARG 476   8.566 -12.897  -9.403
  910    HG2  ARG 476           HG2      ARG 476  10.494 -11.812  -8.441
  911    HG3  ARG 476           HG1      ARG 476   9.625 -11.551  -6.931
  912    HD2  ARG 476           HD2      ARG 476   9.479 -13.967  -6.596
  913    HD3  ARG 476           HD1      ARG 476  10.339 -14.231  -8.114
  914    HE   ARG 476           HE       ARG 476  11.989 -12.602  -6.672
  915   HH11  ARG 476          1HH1      ARG 476  10.508 -15.715  -6.077
  916   HH12  ARG 476          2HH1      ARG 476  11.783 -16.272  -5.048
  917   HH21  ARG 476          1HH2      ARG 476  13.686 -13.328  -5.328
  918   HH22  ARG 476          2HH2      ARG 476  13.602 -14.922  -4.634
  919    H    SER 477           H        SER 477   5.482 -11.427  -8.365
  920    HA   SER 477           HA       SER 477   4.560 -12.064 -10.989
  921    HB2  SER 477           HB2      SER 477   3.509 -13.105  -9.067
  922    HB3  SER 477           HB1      SER 477   3.069 -11.529  -8.409
  923    HG   SER 477           HG       SER 477   1.861 -13.030 -10.380
  924    H    ALA 478           H        ALA 478   3.506 -10.821 -12.452
  925    HA   ALA 478           HA       ALA 478   3.821  -8.030 -12.394
  926    HB1  ALA 478           HB1      ALA 478   2.494  -8.007 -14.429
  927    HB2  ALA 478           HB2      ALA 478   1.961  -9.659 -14.119
  928    HB3  ALA 478           HB3      ALA 478   3.658  -9.329 -14.466
  929    H    GLU 479           H        GLU 479   1.015 -10.089 -11.762
  930    HA   GLU 479           HA       GLU 479  -0.793  -7.920 -11.396
  931    HB2  GLU 479           HB2      GLU 479  -1.452 -10.261 -12.024
  932    HB3  GLU 479           HB1      GLU 479  -1.087 -10.749 -10.373
  933    HG2  GLU 479           HG2      GLU 479  -2.775  -9.157  -9.559
  934    HG3  GLU 479           HG1      GLU 479  -3.169  -8.752 -11.228
  935    H    ALA 480           H        ALA 480   1.368  -9.697  -9.300
  936    HA   ALA 480           HA       ALA 480   0.262  -8.809  -6.842
  937    HB1  ALA 480           HB1      ALA 480   2.353  -9.532  -5.828
  938    HB2  ALA 480           HB2      ALA 480   3.095  -9.671  -7.422
  939    HB3  ALA 480           HB3      ALA 480   1.766 -10.739  -6.972
  940    H    TYR 481           H        TYR 481   2.863  -7.579  -8.922
  941    HA   TYR 481           HA       TYR 481   3.475  -5.348  -7.281
  942    HB2  TYR 481           HB2      TYR 481   5.025  -6.157  -9.016
  943    HB3  TYR 481           HB1      TYR 481   3.874  -5.684 -10.263
  944    HD1  TYR 481           HD1      TYR 481   5.734  -4.209  -7.378
  945    HD2  TYR 481           HD2      TYR 481   4.120  -3.611 -11.269
  946    HE1  TYR 481           HE1      TYR 481   6.720  -1.956  -7.435
  947    HE2  TYR 481           HE2      TYR 481   5.100  -1.357 -11.336
  948    HH   TYR 481           HH       TYR 481   5.899   0.352  -9.825
  949    H    GLU 482           H        GLU 482   1.225  -5.876  -9.950
  950    HA   GLU 482           HA       GLU 482   0.240  -3.263 -10.164
  951    HB2  GLU 482           HB2      GLU 482  -0.321  -5.026 -11.784
  952    HB3  GLU 482           HB1      GLU 482  -1.243  -5.875 -10.549
  953    HG2  GLU 482           HG2      GLU 482  -2.774  -3.965 -10.396
  954    HG3  GLU 482           HG1      GLU 482  -1.864  -3.150 -11.667
  955    H    ASN 483           H        ASN 483  -0.699  -5.950  -8.049
  956    HA   ASN 483           HA       ASN 483  -2.816  -4.822  -6.690
  957    HB2  ASN 483           HB2      ASN 483  -2.203  -7.115  -6.314
  958    HB3  ASN 483           HB1      ASN 483  -0.618  -6.644  -5.706
  959   HD21  ASN 483          1HD2      ASN 483  -3.973  -6.939  -5.000
  960   HD22  ASN 483          2HD2      ASN 483  -3.853  -6.606  -3.315
  961    H    PHE 484           H        PHE 484   0.643  -4.610  -5.878
  962    HA   PHE 484           HA       PHE 484   0.489  -2.950  -3.666
  963    HB2  PHE 484           HB2      PHE 484   2.581  -3.957  -4.311
  964    HB3  PHE 484           HB1      PHE 484   2.575  -3.105  -5.849
  965    HD1  PHE 484           HD1      PHE 484   2.716  -2.531  -2.183
  966    HD2  PHE 484           HD2      PHE 484   3.678  -1.074  -6.066
  967    HE1  PHE 484           HE1      PHE 484   4.030  -0.716  -1.173
  968    HE2  PHE 484           HE2      PHE 484   4.997   0.743  -5.058
  969    HZ   PHE 484           HZ       PHE 484   5.172   0.923  -2.609
  970    H    LEU 485           H        LEU 485   0.701  -2.053  -7.088
  971    HA   LEU 485           HA       LEU 485   0.645   0.736  -6.636
  972    HB2  LEU 485           HB2      LEU 485  -0.124  -0.829  -9.094
  973    HB3  LEU 485           HB1      LEU 485   0.139   0.906  -9.039
  974    HG   LEU 485           HG       LEU 485   2.211  -1.241  -8.579
  975   HD11  LEU 485          1HD1      LEU 485   1.926   0.822 -10.753
  976   HD12  LEU 485          2HD1      LEU 485   1.574  -0.898 -10.915
  977   HD13  LEU 485          3HD1      LEU 485   3.223  -0.360 -10.596
  978   HD21  LEU 485          3HD2      LEU 485   3.813   0.590  -8.381
  979   HD22  LEU 485          1HD2      LEU 485   2.602   0.658  -7.101
  980   HD23  LEU 485          2HD2      LEU 485   2.495   1.760  -8.475
  981    H    ARG 486           H        ARG 486  -1.885  -1.671  -7.044
  982    HA   ARG 486           HA       ARG 486  -4.018   0.164  -7.363
  983    HB2  ARG 486           HB2      ARG 486  -4.062  -2.636  -6.247
  984    HB3  ARG 486           HB1      ARG 486  -5.491  -1.691  -6.643
  985    HG2  ARG 486           HG2      ARG 486  -4.544  -1.557  -9.003
  986    HG3  ARG 486           HG1      ARG 486  -3.435  -2.836  -8.496
  987    HD2  ARG 486           HD2      ARG 486  -5.824  -3.780  -7.601
  988    HD3  ARG 486           HD1      ARG 486  -6.299  -2.941  -9.075
  989    HE   ARG 486           HE       ARG 486  -4.669  -4.350 -10.255
  990   HH11  ARG 486          1HH1      ARG 486  -5.855  -5.361  -7.121
  991   HH12  ARG 486          2HH1      ARG 486  -5.479  -7.041  -7.379
  992   HH21  ARG 486          1HH2      ARG 486  -4.184  -6.558 -10.609
  993   HH22  ARG 486          2HH2      ARG 486  -4.529  -7.720  -9.350
  994    H    CYS 487           H        CYS 487  -2.507  -1.327  -4.529
  995    HA   CYS 487           HA       CYS 487  -4.187  -0.182  -2.593
  996    HB2  CYS 487           HB2      CYS 487  -1.223  -0.757  -2.362
  997    HB3  CYS 487           HB1      CYS 487  -2.358  -0.578  -1.027
  998    HG   CYS 487           HG       CYS 487  -2.122  -3.160  -3.249
  999    H    LEU 488           H        LEU 488  -1.413   1.069  -4.355
 1000    HA   LEU 488           HA       LEU 488  -1.093   3.446  -2.869
 1001    HB2  LEU 488           HB2      LEU 488  -0.375   2.827  -5.732
 1002    HB3  LEU 488           HB1      LEU 488   0.135   4.261  -4.868
 1003    HG   LEU 488           HG       LEU 488   0.965   1.415  -4.352
 1004   HD11  LEU 488          1HD1      LEU 488   2.151   2.602  -6.133
 1005   HD12  LEU 488          2HD1      LEU 488   3.201   2.301  -4.746
 1006   HD13  LEU 488          3HD1      LEU 488   2.531   3.913  -5.008
 1007   HD21  LEU 488          3HD2      LEU 488   1.519   3.856  -2.674
 1008   HD22  LEU 488          1HD2      LEU 488   2.259   2.269  -2.458
 1009   HD23  LEU 488          2HD2      LEU 488   0.524   2.475  -2.207
 1010    H    VAL 489           H        VAL 489  -2.896   2.764  -5.878
 1011    HA   VAL 489           HA       VAL 489  -3.675   5.445  -6.264
 1012    HB   VAL 489           HB       VAL 489  -5.486   4.541  -7.751
 1013   HG11  VAL 489          1HG1      VAL 489  -2.661   3.606  -8.233
 1014   HG12  VAL 489          2HG1      VAL 489  -3.321   5.197  -8.614
 1015   HG13  VAL 489          3HG1      VAL 489  -3.910   3.771  -9.468
 1016   HG21  VAL 489          3HG2      VAL 489  -5.170   2.106  -8.384
 1017   HG22  VAL 489          1HG2      VAL 489  -5.976   2.427  -6.846
 1018   HG23  VAL 489          2HG2      VAL 489  -4.282   1.942  -6.865
 1019    H    ILE 490           H        ILE 490  -5.357   2.758  -4.606
 1020    HA   ILE 490           HA       ILE 490  -7.675   4.332  -4.128
 1021    HB   ILE 490           HB       ILE 490  -8.338   2.657  -2.458
 1022   HG12  ILE 490          2HG1      ILE 490  -5.682   1.365  -3.106
 1023   HG13  ILE 490          1HG1      ILE 490  -6.146   2.063  -1.556
 1024   HG21  ILE 490          1HG2      ILE 490  -8.882   2.337  -4.793
 1025   HG22  ILE 490          2HG2      ILE 490  -8.565   0.788  -4.011
 1026   HG23  ILE 490          3HG2      ILE 490  -7.345   1.514  -5.059
 1027   HD11  ILE 490          3HD1      ILE 490  -6.324  -0.324  -1.443
 1028   HD12  ILE 490          1HD1      ILE 490  -7.351  -0.359  -2.878
 1029   HD13  ILE 490          2HD1      ILE 490  -7.945   0.376  -1.384
 1030    H    PHE 491           H        PHE 491  -4.674   3.867  -2.335
 1031    HA   PHE 491           HA       PHE 491  -5.420   5.337  -0.041
 1032    HB2  PHE 491           HB2      PHE 491  -3.364   4.066  -0.020
 1033    HB3  PHE 491           HB1      PHE 491  -2.727   4.983  -1.381
 1034    HD1  PHE 491           HD1      PHE 491  -3.674   5.218   2.188
 1035    HD2  PHE 491           HD2      PHE 491  -1.576   6.994  -1.060
 1036    HE1  PHE 491           HE1      PHE 491  -2.619   6.810   3.741
 1037    HE2  PHE 491           HE2      PHE 491  -0.519   8.585   0.483
 1038    HZ   PHE 491           HZ       PHE 491  -1.038   8.497   2.887
 1039    H    ASN 492           H        ASN 492  -4.000   6.288  -3.128
 1040    HA   ASN 492           HA       ASN 492  -3.773   9.051  -2.585
 1041    HB2  ASN 492           HB2      ASN 492  -2.531   8.076  -4.408
 1042    HB3  ASN 492           HB1      ASN 492  -4.010   7.529  -5.188
 1043   HD21  ASN 492          1HD2      ASN 492  -5.211   8.950  -6.388
 1044   HD22  ASN 492          2HD2      ASN 492  -4.662  10.536  -6.797
 1045    H    GLN 493           H        GLN 493  -6.368   7.073  -3.856
 1046    HA   GLN 493           HA       GLN 493  -8.031   9.328  -4.528
 1047    HB2  GLN 493           HB2      GLN 493  -8.507   6.353  -4.509
 1048    HB3  GLN 493           HB1      GLN 493  -9.761   7.515  -4.918
 1049    HG2  GLN 493           HG2      GLN 493  -8.601   8.239  -6.838
 1050    HG3  GLN 493           HG1      GLN 493  -7.123   7.412  -6.344
 1051   HE21  GLN 493          1HE2      GLN 493  -8.733   7.197  -8.809
 1052   HE22  GLN 493          2HE2      GLN 493  -9.131   5.516  -8.940
 1053    H    GLU 494           H        GLU 494  -7.122   8.557  -1.636
 1054    HA   GLU 494           HA       GLU 494  -7.935   9.094   0.426
 1055    HB2  GLU 494           HB2      GLU 494 -10.320  10.141  -1.122
 1056    HB3  GLU 494           HB1      GLU 494  -9.923  10.528   0.545
 1057    HG2  GLU 494           HG2      GLU 494  -8.219  11.932  -0.031
 1058    HG3  GLU 494           HG1      GLU 494  -7.883  11.077  -1.537
 1059    H    VAL 495           H        VAL 495  -8.477   6.498  -0.792
 1060    HA   VAL 495           HA       VAL 495 -11.123   5.778   0.205
 1061    HB   VAL 495           HB       VAL 495  -9.081   4.154  -1.322
 1062   HG11  VAL 495          1HG1      VAL 495 -10.421   2.725   0.134
 1063   HG12  VAL 495          2HG1      VAL 495 -10.830   2.471  -1.563
 1064   HG13  VAL 495          3HG1      VAL 495 -11.898   3.423  -0.533
 1065   HG21  VAL 495          3HG2      VAL 495 -11.705   5.368  -2.182
 1066   HG22  VAL 495          1HG2      VAL 495 -10.677   4.335  -3.173
 1067   HG23  VAL 495          2HG2      VAL 495 -10.097   5.917  -2.654
 1068    H    ILE 496           H        ILE 496  -7.748   4.634   0.621
 1069    HA   ILE 496           HA       ILE 496  -8.650   3.294   3.073
 1070    HB   ILE 496           HB       ILE 496  -6.627   1.927   2.952
 1071   HG12  ILE 496          2HG1      ILE 496  -6.083   3.348   0.334
 1072   HG13  ILE 496          1HG1      ILE 496  -5.174   3.590   1.823
 1073   HG21  ILE 496          1HG2      ILE 496  -8.202   1.963   0.381
 1074   HG22  ILE 496          2HG2      ILE 496  -8.643   1.124   1.870
 1075   HG23  ILE 496          3HG2      ILE 496  -7.218   0.620   0.960
 1076   HD11  ILE 496          3HD1      ILE 496  -3.977   2.121   0.328
 1077   HD12  ILE 496          1HD1      ILE 496  -5.364   1.035   0.248
 1078   HD13  ILE 496          2HD1      ILE 496  -4.488   1.236   1.766
 1079    H    SER 497           H        SER 497  -7.486   3.493   4.993
 1080    HA   SER 497           HA       SER 497  -6.289   6.070   5.402
 1081    HB2  SER 497           HB2      SER 497  -6.605   3.748   7.326
 1082    HB3  SER 497           HB1      SER 497  -6.249   5.421   7.756
 1083    HG   SER 497           HG       SER 497  -8.280   5.972   7.421
 1084    H    ARG 498           H        ARG 498  -4.246   6.061   6.908
 1085    HA   ARG 498           HA       ARG 498  -2.062   5.323   5.331
 1086    HB2  ARG 498           HB2      ARG 498  -2.226   7.034   7.266
 1087    HB3  ARG 498           HB1      ARG 498  -1.846   5.675   8.306
 1088    HG2  ARG 498           HG2      ARG 498   0.207   5.303   6.924
 1089    HG3  ARG 498           HG1      ARG 498  -0.144   6.830   6.114
 1090    HD2  ARG 498           HD2      ARG 498   0.459   6.386   9.032
 1091    HD3  ARG 498           HD1      ARG 498   1.433   7.267   7.858
 1092    HE   ARG 498           HE       ARG 498  -1.248   8.298   8.318
 1093   HH11  ARG 498          1HH1      ARG 498   2.167   8.509   9.090
 1094   HH12  ARG 498          2HH1      ARG 498   2.045  10.096   9.786
 1095   HH21  ARG 498          1HH2      ARG 498  -1.410  10.389   9.209
 1096   HH22  ARG 498          2HH2      ARG 498   0.007  11.178   9.835
 1097    H    ALA 499           H        ALA 499  -3.020   3.953   8.459
 1098    HA   ALA 499           HA       ALA 499  -1.199   1.819   8.436
 1099    HB1  ALA 499           HB1      ALA 499  -2.557   0.852  10.221
 1100    HB2  ALA 499           HB2      ALA 499  -3.856   1.989   9.858
 1101    HB3  ALA 499           HB3      ALA 499  -2.311   2.581  10.471
 1102    H    GLU 500           H        GLU 500  -4.509   2.059   7.243
 1103    HA   GLU 500           HA       GLU 500  -4.975  -0.605   6.594
 1104    HB2  GLU 500           HB2      GLU 500  -5.863   1.860   5.078
 1105    HB3  GLU 500           HB1      GLU 500  -6.561   0.256   4.912
 1106    HG2  GLU 500           HG2      GLU 500  -6.551   1.832   7.474
 1107    HG3  GLU 500           HG1      GLU 500  -7.883   1.822   6.320
 1108    H    LEU 501           H        LEU 501  -3.241   1.915   4.843
 1109    HA   LEU 501           HA       LEU 501  -2.732   0.461   2.481
 1110    HB2  LEU 501           HB2      LEU 501  -2.459   2.864   2.559
 1111    HB3  LEU 501           HB1      LEU 501  -1.210   2.723   3.779
 1112    HG   LEU 501           HG       LEU 501   0.241   1.582   2.119
 1113   HD11  LEU 501          1HD1      LEU 501  -1.924   2.322   0.156
 1114   HD12  LEU 501          2HD1      LEU 501  -1.528   0.685   0.681
 1115   HD13  LEU 501          3HD1      LEU 501  -0.351   1.626  -0.236
 1116   HD21  LEU 501          3HD2      LEU 501  -0.795   4.306   1.346
 1117   HD22  LEU 501          1HD2      LEU 501   0.719   3.598   0.781
 1118   HD23  LEU 501          2HD2      LEU 501   0.498   3.952   2.494
 1119    H    VAL 502           H        VAL 502  -0.684   0.987   5.375
 1120    HA   VAL 502           HA       VAL 502   1.447  -0.628   4.457
 1121    HB   VAL 502           HB       VAL 502   1.391  -0.819   7.298
 1122   HG11  VAL 502          1HG1      VAL 502   3.388   0.544   7.153
 1123   HG12  VAL 502          2HG1      VAL 502   2.976   1.009   5.498
 1124   HG13  VAL 502          3HG1      VAL 502   3.380  -0.673   5.873
 1125   HG21  VAL 502          3HG2      VAL 502   1.322   1.537   7.930
 1126   HG22  VAL 502          1HG2      VAL 502  -0.243   0.961   7.349
 1127   HG23  VAL 502          2HG2      VAL 502   0.777   1.952   6.304
 1128    H    GLN 503           H        GLN 503  -1.412  -1.388   6.384
 1129    HA   GLN 503           HA       GLN 503  -0.650  -4.039   7.039
 1130    HB2  GLN 503           HB2      GLN 503  -3.365  -2.731   6.896
 1131    HB3  GLN 503           HB1      GLN 503  -3.085  -4.345   7.530
 1132    HG2  GLN 503           HG2      GLN 503  -1.762  -3.480   9.325
 1133    HG3  GLN 503           HG1      GLN 503  -1.807  -1.858   8.635
 1134   HE21  GLN 503          1HE2      GLN 503  -4.558  -4.002   8.666
 1135   HE22  GLN 503          2HE2      GLN 503  -5.503  -3.094   9.798
 1136    H    LEU 504           H        LEU 504  -2.393  -2.641   4.306
 1137    HA   LEU 504           HA       LEU 504  -3.559  -5.022   3.377
 1138    HB2  LEU 504           HB2      LEU 504  -3.909  -2.495   2.698
 1139    HB3  LEU 504           HB1      LEU 504  -2.747  -2.902   1.449
 1140    HG   LEU 504           HG       LEU 504  -4.193  -4.648   0.602
 1141   HD11  LEU 504          1HD1      LEU 504  -5.193  -5.300   2.761
 1142   HD12  LEU 504          2HD1      LEU 504  -6.401  -5.029   1.508
 1143   HD13  LEU 504          3HD1      LEU 504  -6.136  -3.809   2.749
 1144   HD21  LEU 504          3HD2      LEU 504  -4.478  -2.373  -0.242
 1145   HD22  LEU 504          1HD2      LEU 504  -5.671  -2.057   1.017
 1146   HD23  LEU 504          2HD2      LEU 504  -6.006  -3.253  -0.234
 1147    H    VAL 505           H        VAL 505  -0.470  -3.488   2.616
 1148    HA   VAL 505           HA       VAL 505   0.205  -5.580   0.728
 1149    HB   VAL 505           HB       VAL 505   2.394  -4.380   0.540
 1150   HG11  VAL 505          1HG1      VAL 505   0.528  -3.902  -0.976
 1151   HG12  VAL 505          2HG1      VAL 505   1.502  -2.463  -0.666
 1152   HG13  VAL 505          3HG1      VAL 505  -0.056  -2.666   0.140
 1153   HG21  VAL 505          3HG2      VAL 505   2.572  -2.135   1.534
 1154   HG22  VAL 505          1HG2      VAL 505   2.496  -3.401   2.762
 1155   HG23  VAL 505          2HG2      VAL 505   1.072  -2.421   2.416
 1156    H    SER 506           H        SER 506  -0.032  -5.878   3.851
 1157    HA   SER 506           HA       SER 506   2.468  -6.602   4.850
 1158    HB2  SER 506           HB2      SER 506   0.535  -6.376   6.313
 1159    HB3  SER 506           HB1      SER 506  -0.233  -7.770   5.554
 1160    HG   SER 506           HG       SER 506   1.168  -7.910   7.651
 1161    HA   PRO 507           HA       PRO 507   1.603 -11.188   3.316
 1162    HB2  PRO 507           HB2      PRO 507  -0.126 -10.631   0.980
 1163    HB3  PRO 507           HB1      PRO 507  -0.214 -11.945   2.159
 1164    HG2  PRO 507           HG2      PRO 507  -1.986  -9.954   2.197
 1165    HG3  PRO 507           HG1      PRO 507  -1.371 -10.658   3.703
 1166    HD2  PRO 507           HD2      PRO 507  -0.620  -8.092   2.362
 1167    HD3  PRO 507           HD1      PRO 507  -0.850  -8.436   4.088
 1168    H    PHE 508           H        PHE 508   2.235  -8.327   1.661
 1169    HA   PHE 508           HA       PHE 508   3.670  -9.697  -0.500
 1170    HB2  PHE 508           HB2      PHE 508   2.723  -6.835  -0.264
 1171    HB3  PHE 508           HB1      PHE 508   3.646  -7.470  -1.619
 1172    HD1  PHE 508           HD2      PHE 508   0.423  -7.662   0.159
 1173    HD2  PHE 508           HD1      PHE 508   2.606  -8.736  -3.335
 1174    HE1  PHE 508           HE2      PHE 508  -1.666  -8.376  -0.924
 1175    HE2  PHE 508           HE1      PHE 508   0.517  -9.447  -4.422
 1176    HZ   PHE 508           HZ       PHE 508  -1.622  -9.266  -3.215
 1177    H    LEU 509           H        LEU 509   4.057  -6.802   1.564
 1178    HA   LEU 509           HA       LEU 509   6.937  -6.905   1.075
 1179    HB2  LEU 509           HB2      LEU 509   5.344  -4.759   2.472
 1180    HB3  LEU 509           HB1      LEU 509   6.996  -4.640   1.900
 1181    HG   LEU 509           HG       LEU 509   4.517  -4.844   0.189
 1182   HD11  LEU 509          1HD1      LEU 509   4.841  -2.653   1.206
 1183   HD12  LEU 509          2HD1      LEU 509   5.137  -2.593  -0.531
 1184   HD13  LEU 509          3HD1      LEU 509   6.494  -2.605   0.595
 1185   HD21  LEU 509          3HD2      LEU 509   7.408  -4.638  -0.636
 1186   HD22  LEU 509          1HD2      LEU 509   6.016  -4.569  -1.716
 1187   HD23  LEU 509          2HD2      LEU 509   6.375  -6.054  -0.833
 1188    H    GLY 510           H        GLY 510   4.700  -7.789   3.456
 1189    HA2  GLY 510           HA2      GLY 510   6.107  -7.100   5.814
 1190    HA3  GLY 510           HA1      GLY 510   4.844  -8.314   5.683
 1191    H    LYS 511           H        LYS 511   6.576  -9.616   3.524
 1192    HA   LYS 511           HA       LYS 511   7.896 -11.481   5.229
 1193    HB2  LYS 511           HB2      LYS 511   8.362 -11.152   2.264
 1194    HB3  LYS 511           HB1      LYS 511   8.558 -12.606   3.231
 1195    HG2  LYS 511           HG2      LYS 511   6.140 -12.716   3.557
 1196    HG3  LYS 511           HG1      LYS 511   5.945 -11.255   2.583
 1197    HD2  LYS 511           HD2      LYS 511   7.105 -12.478   0.714
 1198    HD3  LYS 511           HD1      LYS 511   6.984 -13.940   1.694
 1199    HE2  LYS 511           HE2      LYS 511   4.698 -12.254   0.684
 1200    HE3  LYS 511           HE1      LYS 511   5.169 -13.848   0.097
 1201    HZ1  LYS 511           HZ1      LYS 511   4.669 -14.731   2.321
 1202    HZ2  LYS 511           HZ2      LYS 511   3.309 -14.048   1.572
 1203    HZ3  LYS 511           HZ3      LYS 511   4.115 -13.197   2.798
 1204    H    PHE 512           H        PHE 512   8.766  -8.500   3.795
 1205    HA   PHE 512           HA       PHE 512  11.630  -9.064   4.203
 1206    HB2  PHE 512           HB2      PHE 512  10.433  -7.027   2.315
 1207    HB3  PHE 512           HB1      PHE 512  12.125  -7.495   2.434
 1208    HD1  PHE 512           HD2      PHE 512  12.867  -9.688   1.612
 1209    HD2  PHE 512           HD1      PHE 512   8.855  -8.355   1.103
 1210    HE1  PHE 512           HE2      PHE 512  12.505 -11.428  -0.089
 1211    HE2  PHE 512           HE1      PHE 512   8.486 -10.092  -0.602
 1212    HZ   PHE 512           HZ       PHE 512  10.315 -11.633  -1.196
 1213    HA   PRO 513           HA       PRO 513  10.642  -6.244   7.632
 1214    HB2  PRO 513           HB2      PRO 513  13.261  -6.363   8.584
 1215    HB3  PRO 513           HB1      PRO 513  11.930  -7.410   9.081
 1216    HG2  PRO 513           HG2      PRO 513  14.099  -7.908   7.096
 1217    HG3  PRO 513           HG1      PRO 513  13.350  -9.028   8.249
 1218    HD2  PRO 513           HD2      PRO 513  12.736  -9.093   5.648
 1219    HD3  PRO 513           HD1      PRO 513  11.498  -9.377   6.892
 1220    H    GLU 514           H        GLU 514  13.701  -6.008   5.798
 1221    HA   GLU 514           HA       GLU 514  14.214  -3.307   6.375
 1222    HB2  GLU 514           HB2      GLU 514  15.726  -3.380   4.409
 1223    HB3  GLU 514           HB1      GLU 514  15.957  -4.744   5.494
 1224    HG2  GLU 514           HG2      GLU 514  14.748  -6.199   4.011
 1225    HG3  GLU 514           HG1      GLU 514  14.323  -4.844   2.967
 1226    H    LEU 515           H        LEU 515  12.340  -4.852   3.858
 1227    HA   LEU 515           HA       LEU 515  11.987  -2.507   2.269
 1228    HB2  LEU 515           HB2      LEU 515  11.933  -4.862   1.425
 1229    HB3  LEU 515           HB1      LEU 515  10.411  -5.083   2.265
 1230    HG   LEU 515           HG       LEU 515   9.386  -3.356   0.835
 1231   HD11  LEU 515          1HD1      LEU 515  11.364  -2.032   0.361
 1232   HD12  LEU 515          2HD1      LEU 515  10.601  -2.564  -1.138
 1233   HD13  LEU 515          3HD1      LEU 515  12.059  -3.368  -0.555
 1234   HD21  LEU 515          3HD2      LEU 515  10.778  -5.561  -0.681
 1235   HD22  LEU 515          1HD2      LEU 515   9.336  -4.690  -1.204
 1236   HD23  LEU 515          2HD2      LEU 515   9.273  -5.722   0.225
 1237    H    PHE 516           H        PHE 516   9.951  -4.336   4.530
 1238    HA   PHE 516           HA       PHE 516   7.684  -2.654   4.227
 1239    HB2  PHE 516           HB2      PHE 516   7.729  -5.057   5.079
 1240    HB3  PHE 516           HB1      PHE 516   8.272  -4.397   6.618
 1241    HD1  PHE 516           HD2      PHE 516   5.679  -3.373   4.144
 1242    HD2  PHE 516           HD1      PHE 516   6.578  -4.435   8.163
 1243    HE1  PHE 516           HE2      PHE 516   3.339  -2.959   4.772
 1244    HE2  PHE 516           HE1      PHE 516   4.239  -4.020   8.802
 1245    HZ   PHE 516           HZ       PHE 516   2.613  -3.279   7.103
 1246    H    ASN 517           H        ASN 517  10.463  -2.628   6.374
 1247    HA   ASN 517           HA       ASN 517   9.455  -0.640   8.145
 1248    HB2  ASN 517           HB2      ASN 517  11.334  -2.099   8.785
 1249    HB3  ASN 517           HB1      ASN 517  12.334  -1.367   7.534
 1250   HD21  ASN 517          1HD2      ASN 517  13.169   0.676   7.845
 1251   HD22  ASN 517          2HD2      ASN 517  13.113   1.496   9.375
 1252    H    TRP 518           H        TRP 518  11.462  -0.533   5.214
 1253    HA   TRP 518           HA       TRP 518  11.943   2.208   5.076
 1254    HB2  TRP 518           HB2      TRP 518  12.811   0.444   3.488
 1255    HB3  TRP 518           HB1      TRP 518  11.224   0.418   2.735
 1256    HD1  TRP 518           HD1      TRP 518  14.518   2.097   2.520
 1257    HE1  TRP 518           HE1      TRP 518  14.445   4.041   0.827
 1258    HE3  TRP 518           HE3      TRP 518   9.450   2.472   1.906
 1259    HZ2  TRP 518           HZ2      TRP 518  12.511   5.531  -0.557
 1260    HZ3  TRP 518           HZ3      TRP 518   8.578   4.187   0.378
 1261    HH2  TRP 518           HH2      TRP 518  10.076   5.684  -0.827
 1262    H    PHE 519           H        PHE 519   9.198   0.324   3.905
 1263    HA   PHE 519           HA       PHE 519   7.636   2.353   2.848
 1264    HB2  PHE 519           HB2      PHE 519   7.323  -0.172   2.705
 1265    HB3  PHE 519           HB1      PHE 519   6.569  -0.077   4.292
 1266    HD1  PHE 519           HD2      PHE 519   6.290   2.149   1.323
 1267    HD2  PHE 519           HD1      PHE 519   4.338  -0.521   3.994
 1268    HE1  PHE 519           HE2      PHE 519   4.144   2.654   0.249
 1269    HE2  PHE 519           HE1      PHE 519   2.182  -0.022   2.923
 1270    HZ   PHE 519           HZ       PHE 519   2.077   1.568   1.047
 1271    H    LYS 520           H        LYS 520   7.582   0.980   6.138
 1272    HA   LYS 520           HA       LYS 520   5.612   2.652   7.211
 1273    HB2  LYS 520           HB2      LYS 520   7.940   1.222   8.471
 1274    HB3  LYS 520           HB1      LYS 520   6.819   2.187   9.423
 1275    HG2  LYS 520           HG2      LYS 520   4.977   0.771   8.735
 1276    HG3  LYS 520           HG1      LYS 520   6.065  -0.172   7.708
 1277    HD2  LYS 520           HD2      LYS 520   7.296  -0.934   9.606
 1278    HD3  LYS 520           HD1      LYS 520   6.428   0.154  10.683
 1279    HE2  LYS 520           HE2      LYS 520   4.373  -1.072  10.288
 1280    HE3  LYS 520           HE1      LYS 520   5.200  -2.127   9.143
 1281    HZ1  LYS 520           HZ1      LYS 520   4.925  -3.114  11.371
 1282    HZ2  LYS 520           HZ2      LYS 520   5.907  -1.891  12.021
 1283    HZ3  LYS 520           HZ3      LYS 520   6.554  -2.994  10.903
 1284    H    ASN 521           H        ASN 521   9.128   3.081   7.064
 1285    HA   ASN 521           HA       ASN 521   9.230   5.450   8.595
 1286    HB2  ASN 521           HB2      ASN 521  11.183   3.972   8.042
 1287    HB3  ASN 521           HB1      ASN 521  11.145   4.621   6.405
 1288   HD21  ASN 521          1HD2      ASN 521  13.186   5.508   6.559
 1289   HD22  ASN 521          2HD2      ASN 521  13.528   6.895   7.541
 1290    H    PHE 522           H        PHE 522   8.709   4.851   5.180
 1291    HA   PHE 522           HA       PHE 522   8.951   7.569   4.356
 1292    HB2  PHE 522           HB2      PHE 522   9.224   5.607   2.849
 1293    HB3  PHE 522           HB1      PHE 522   7.500   5.289   2.996
 1294    HD1  PHE 522           HD2      PHE 522   9.942   7.845   1.865
 1295    HD2  PHE 522           HD1      PHE 522   5.982   6.315   1.559
 1296    HE1  PHE 522           HE2      PHE 522   9.517   9.335  -0.047
 1297    HE2  PHE 522           HE1      PHE 522   5.550   7.807  -0.347
 1298    HZ   PHE 522           HZ       PHE 522   7.317   9.317  -1.152
 1299    H    LEU 523           H        LEU 523   6.274   5.496   5.332
 1300    HA   LEU 523           HA       LEU 523   4.234   7.416   4.705
 1301    HB2  LEU 523           HB2      LEU 523   4.059   5.013   6.517
 1302    HB3  LEU 523           HB1      LEU 523   2.716   5.891   5.818
 1303    HG   LEU 523           HG       LEU 523   4.719   4.225   4.292
 1304   HD11  LEU 523          1HD1      LEU 523   2.817   2.746   3.914
 1305   HD12  LEU 523          2HD1      LEU 523   1.816   3.772   4.940
 1306   HD13  LEU 523          3HD1      LEU 523   3.184   2.899   5.631
 1307   HD21  LEU 523          3HD2      LEU 523   3.186   4.560   2.401
 1308   HD22  LEU 523          1HD2      LEU 523   3.959   6.058   2.925
 1309   HD23  LEU 523          2HD2      LEU 523   2.283   5.728   3.367
 1310    H    GLY 524           H        GLY 524   6.449   7.143   7.223
 1311    HA2  GLY 524           HA2      GLY 524   6.632   8.202   9.258
 1312    HA3  GLY 524           HA1      GLY 524   5.208   9.146   8.831
 1313    H    TYR 525           H        TYR 525   5.633   5.658   9.124
 1314    HA   TYR 525           HA       TYR 525   3.169   5.455  10.612
 1315    HB2  TYR 525           HB2      TYR 525   3.905   3.848   8.798
 1316    HB3  TYR 525           HB1      TYR 525   5.121   3.248   9.920
 1317    HD1  TYR 525           HD2      TYR 525   1.469   3.636   9.422
 1318    HD2  TYR 525           HD1      TYR 525   4.563   1.623  11.535
 1319    HE1  TYR 525           HE2      TYR 525  -0.182   2.062  10.330
 1320    HE2  TYR 525           HE1      TYR 525   2.918   0.040  12.447
 1321    HH   TYR 525           HH       TYR 525   0.420   0.049  12.924
 1322    H    LYS 526           H        LYS 526   3.409   6.236  12.625
 1323    HA   LYS 526           HA       LYS 526   5.710   5.921  14.221
 1324    HB2  LYS 526           HB2      LYS 526   2.891   6.635  15.013
 1325    HB3  LYS 526           HB1      LYS 526   4.292   6.779  16.059
 1326    HG2  LYS 526           HG2      LYS 526   3.945   8.245  13.456
 1327    HG3  LYS 526           HG1      LYS 526   3.562   8.910  15.042
 1328    HD2  LYS 526           HD2      LYS 526   5.939   8.498  15.698
 1329    HD3  LYS 526           HD1      LYS 526   6.266   8.056  14.020
 1330    HE2  LYS 526           HE2      LYS 526   6.869  10.375  14.397
 1331    HE3  LYS 526           HE1      LYS 526   5.486  10.284  13.306
 1332    HZ1  LYS 526           HZ1      LYS 526   5.507  11.056  16.171
 1333    HZ2  LYS 526           HZ2      LYS 526   4.080  10.629  15.364
 1334    HZ3  LYS 526           HZ3      LYS 526   4.973  11.967  14.842
 1335    H    GLU 527           H        GLU 527   2.514   4.757  15.080
 1336    HA   GLU 527           HA       GLU 527   1.760   2.974  16.256
 1337    HB2  GLU 527           HB2      GLU 527   2.757   1.878  14.156
 1338    HB3  GLU 527           HB1      GLU 527   4.106   1.417  15.185
 1339    HG2  GLU 527           HG2      GLU 527   2.532  -0.400  14.994
 1340    HG3  GLU 527           HG1      GLU 527   2.563   0.206  16.650
 1341    H    SER 528           H        SER 528   3.945   4.751  17.291
 1342    HA   SER 528           HA       SER 528   4.930   3.020  19.451
 1343    HB2  SER 528           HB2      SER 528   6.381   5.419  18.299
 1344    HB3  SER 528           HB1      SER 528   6.995   4.275  19.493
 1345    HG   SER 528           HG       SER 528   6.177   3.422  16.921
  Start of MODEL    2
    1    H1   SER 127           HT1      SER 127   8.165 -42.773 -27.260
    2    H2   SER 127           HT2      SER 127   9.061 -41.925 -26.098
    3    H3   SER 127           HT3      SER 127   9.344 -41.659 -27.751
    4    HA   SER 127           HA       SER 127   8.062 -39.871 -26.707
    5    HB2  SER 127           HB2      SER 127   6.541 -41.491 -28.769
    6    HB3  SER 127           HB1      SER 127   6.367 -39.762 -28.469
    7    HG   SER 127           HG       SER 127   7.806 -40.544 -30.273
    8    H    ASN 128           H        ASN 128   5.636 -39.324 -26.354
    9    HA   ASN 128           HA       ASN 128   3.786 -39.467 -25.068
   10    HB2  ASN 128           HB2      ASN 128   4.177 -42.418 -25.552
   11    HB3  ASN 128           HB1      ASN 128   2.846 -41.793 -24.586
   12   HD21  ASN 128          1HD2      ASN 128   2.730 -43.274 -27.052
   13   HD22  ASN 128          2HD2      ASN 128   1.909 -42.263 -28.200
   14    H    ALA 129           H        ALA 129   2.959 -40.806 -22.958
   15    HA   ALA 129           HA       ALA 129   5.112 -41.369 -21.118
   16    HB1  ALA 129           HB1      ALA 129   4.557 -39.565 -19.556
   17    HB2  ALA 129           HB2      ALA 129   3.392 -38.919 -20.711
   18    HB3  ALA 129           HB3      ALA 129   5.111 -38.920 -21.101
   19    H    GLY 130           H        GLY 130   3.828 -41.201 -18.746
   20    HA2  GLY 130           HA2      GLY 130   1.634 -43.095 -19.055
   21    HA3  GLY 130           HA1      GLY 130   2.401 -42.617 -17.544
   22    H    SER 131           H        SER 131   0.434 -42.218 -16.520
   23    HA   SER 131           HA       SER 131  -1.220 -40.055 -17.595
   24    HB2  SER 131           HB2      SER 131  -2.647 -40.620 -15.549
   25    HB3  SER 131           HB1      SER 131  -2.517 -41.882 -16.775
   26    HG   SER 131           HG       SER 131  -0.920 -41.724 -14.419
   27    H    ASP 132           H        ASP 132   1.512 -40.340 -15.853
   28    HA   ASP 132           HA       ASP 132   0.919 -38.020 -14.140
   29    HB2  ASP 132           HB2      ASP 132   2.808 -40.311 -13.534
   30    HB3  ASP 132           HB1      ASP 132   2.497 -38.927 -12.491
   31    H    ASP 133           H        ASP 133   2.218 -36.307 -14.378
   32    HA   ASP 133           HA       ASP 133   4.601 -36.629 -16.080
   33    HB2  ASP 133           HB2      ASP 133   3.001 -35.102 -17.058
   34    HB3  ASP 133           HB1      ASP 133   2.883 -34.195 -15.554
   35    H    ASP 134           H        ASP 134   6.283 -36.961 -14.777
   36    HA   ASP 134           HA       ASP 134   6.633 -35.175 -12.468
   37    HB2  ASP 134           HB2      ASP 134   6.670 -37.536 -11.865
   38    HB3  ASP 134           HB1      ASP 134   7.914 -37.850 -13.071
   39    H    GLY 135           H        GLY 135   7.870 -33.480 -12.897
   40    HA2  GLY 135           HA2      GLY 135  10.469 -33.788 -14.068
   41    HA3  GLY 135           HA1      GLY 135   9.337 -33.002 -15.160
   42    H    GLY 136           H        GLY 136  11.404 -32.644 -12.493
   43    HA2  GLY 136           HA2      GLY 136  10.947 -29.781 -12.448
   44    HA3  GLY 136           HA1      GLY 136  10.542 -30.614 -10.953
   45    H    ASP 137           H        ASP 137  13.129 -29.964 -13.242
   46    HA   ASP 137           HA       ASP 137  15.194 -31.124 -11.675
   47    HB2  ASP 137           HB2      ASP 137  16.731 -29.955 -13.213
   48    HB3  ASP 137           HB1      ASP 137  15.465 -30.818 -14.081
   49    H    SER 138           H        SER 138  13.934 -27.846 -12.009
   50    HA   SER 138           HA       SER 138  15.112 -27.158  -9.449
   51    HB2  SER 138           HB2      SER 138  16.801 -26.578 -11.260
   52    HB3  SER 138           HB1      SER 138  15.632 -25.404 -11.863
   53    HG   SER 138           HG       SER 138  17.162 -25.387  -9.520
   54    HA   PRO 139           HA       PRO 139  10.919 -25.459  -9.660
   55    HB2  PRO 139           HB2      PRO 139  10.681 -25.052  -6.987
   56    HB3  PRO 139           HB1      PRO 139  10.433 -26.628  -7.745
   57    HG2  PRO 139           HG2      PRO 139  12.838 -25.566  -6.318
   58    HG3  PRO 139           HG1      PRO 139  12.101 -27.176  -6.220
   59    HD2  PRO 139           HD2      PRO 139  14.312 -26.664  -7.704
   60    HD3  PRO 139           HD1      PRO 139  13.117 -27.894  -8.163
   61    H    VAL 140           H        VAL 140  10.582 -23.426 -10.220
   62    HA   VAL 140           HA       VAL 140  12.367 -21.304  -9.511
   63    HB   VAL 140           HB       VAL 140  10.868 -19.851 -10.789
   64   HG11  VAL 140          1HG1      VAL 140  12.504 -21.164 -12.011
   65   HG12  VAL 140          2HG1      VAL 140  11.030 -20.980 -12.962
   66   HG13  VAL 140          3HG1      VAL 140  11.362 -22.503 -12.137
   67   HG21  VAL 140          3HG2      VAL 140   9.072 -22.266 -11.012
   68   HG22  VAL 140          1HG2      VAL 140   8.847 -20.731 -11.850
   69   HG23  VAL 140          2HG2      VAL 140   8.727 -20.801 -10.092
   70    H    GLN 141           H        GLN 141  11.767 -19.340  -8.406
   71    HA   GLN 141           HA       GLN 141   9.847 -19.871  -6.252
   72    HB2  GLN 141           HB2      GLN 141  12.206 -19.318  -5.630
   73    HB3  GLN 141           HB1      GLN 141  11.986 -17.734  -6.358
   74    HG2  GLN 141           HG2      GLN 141  10.306 -17.163  -4.745
   75    HG3  GLN 141           HG1      GLN 141  10.328 -18.795  -4.084
   76   HE21  GLN 141          1HE2      GLN 141  13.232 -17.118  -5.055
   77   HE22  GLN 141          2HE2      GLN 141  13.865 -16.882  -3.461
   78    H    ASP 142           H        ASP 142   8.098 -19.437  -7.679
   79    HA   ASP 142           HA       ASP 142   7.791 -16.781  -8.808
   80    HB2  ASP 142           HB2      ASP 142   6.981 -18.682 -10.087
   81    HB3  ASP 142           HB1      ASP 142   5.976 -19.203  -8.739
   82    H    ILE 143           H        ILE 143   6.762 -18.632  -6.074
   83    HA   ILE 143           HA       ILE 143   5.861 -18.031  -4.093
   84    HB   ILE 143           HB       ILE 143   5.809 -15.179  -5.099
   85   HG12  ILE 143          2HG1      ILE 143   8.002 -16.536  -3.518
   86   HG13  ILE 143          1HG1      ILE 143   8.065 -16.270  -5.256
   87   HG21  ILE 143          1HG2      ILE 143   5.857 -16.281  -2.291
   88   HG22  ILE 143          2HG2      ILE 143   4.489 -15.497  -3.084
   89   HG23  ILE 143          3HG2      ILE 143   5.948 -14.574  -2.725
   90   HD11  ILE 143          3HD1      ILE 143   7.895 -14.130  -3.153
   91   HD12  ILE 143          1HD1      ILE 143   7.968 -13.865  -4.895
   92   HD13  ILE 143          2HD1      ILE 143   9.338 -14.595  -4.055
   93    H    ASP 144           H        ASP 144   4.462 -18.295  -6.769
   94    HA   ASP 144           HA       ASP 144   2.348 -18.594  -7.566
   95    HB2  ASP 144           HB2      ASP 144   2.173 -19.814  -5.376
   96    HB3  ASP 144           HB1      ASP 144   1.497 -18.341  -4.690
   97    H    THR 145           H        THR 145   3.409 -15.814  -6.728
   98    HA   THR 145           HA       THR 145   2.797 -13.642  -6.908
   99    HB   THR 145           HB       THR 145   0.178 -14.846  -7.754
  100    HG1  THR 145           HG1      THR 145   1.855 -14.996  -9.281
  101   HG21  THR 145          3HG2      THR 145  -0.322 -12.714  -6.683
  102   HG22  THR 145          1HG2      THR 145  -0.516 -12.570  -8.430
  103   HG23  THR 145          2HG2      THR 145   0.923 -11.919  -7.646
  104    HA   PRO 146           HA       PRO 146   1.468 -13.406  -2.585
  105    HB2  PRO 146           HB2      PRO 146   2.226 -10.585  -3.103
  106    HB3  PRO 146           HB1      PRO 146   2.720 -11.662  -1.792
  107    HG2  PRO 146           HG2      PRO 146   4.394 -11.033  -3.776
  108    HG3  PRO 146           HG1      PRO 146   4.383 -12.650  -3.046
  109    HD2  PRO 146           HD2      PRO 146   3.270 -11.742  -5.664
  110    HD3  PRO 146           HD1      PRO 146   4.048 -13.280  -5.241
  111    H    GLU 147           H        GLU 147  -0.462 -12.845  -1.802
  112    HA   GLU 147           HA       GLU 147  -2.239 -11.325  -3.588
  113    HB2  GLU 147           HB2      GLU 147  -4.079 -12.598  -2.475
  114    HB3  GLU 147           HB1      GLU 147  -2.953 -13.617  -3.367
  115    HG2  GLU 147           HG2      GLU 147  -1.805 -14.146  -1.255
  116    HG3  GLU 147           HG1      GLU 147  -3.005 -13.188  -0.391
  117    H    VAL 148           H        VAL 148  -4.034 -10.191  -2.463
  118    HA   VAL 148           HA       VAL 148  -3.117  -9.075   0.106
  119    HB   VAL 148           HB       VAL 148  -3.115  -7.356  -1.613
  120   HG11  VAL 148          1HG1      VAL 148  -4.674  -8.356  -3.175
  121   HG12  VAL 148          2HG1      VAL 148  -5.156  -6.705  -2.786
  122   HG13  VAL 148          3HG1      VAL 148  -6.006  -8.067  -2.057
  123   HG21  VAL 148          3HG2      VAL 148  -5.517  -7.010   0.178
  124   HG22  VAL 148          1HG2      VAL 148  -4.612  -5.722  -0.618
  125   HG23  VAL 148          2HG2      VAL 148  -3.840  -6.694   0.636
  126    H    ASP 149           H        ASP 149  -4.538  -9.012   1.797
  127    HA   ASP 149           HA       ASP 149  -7.121 -10.339   1.354
  128    HB2  ASP 149           HB2      ASP 149  -5.560 -11.420   2.976
  129    HB3  ASP 149           HB1      ASP 149  -5.628  -9.963   3.961
  130    H    LEU 150           H        LEU 150  -8.906  -9.161   1.515
  131    HA   LEU 150           HA       LEU 150  -8.612  -6.419   2.536
  132    HB2  LEU 150           HB2      LEU 150 -10.624  -7.609   0.626
  133    HB3  LEU 150           HB1      LEU 150 -10.649  -5.945   1.185
  134    HG   LEU 150           HG       LEU 150  -8.296  -7.131  -0.274
  135   HD11  LEU 150          1HD1      LEU 150 -10.597  -5.573  -1.430
  136   HD12  LEU 150          2HD1      LEU 150 -10.249  -7.278  -1.716
  137   HD13  LEU 150          3HD1      LEU 150  -9.125  -6.042  -2.280
  138   HD21  LEU 150          3HD2      LEU 150  -7.842  -5.129   1.037
  139   HD22  LEU 150          1HD2      LEU 150  -9.163  -4.288   0.225
  140   HD23  LEU 150          2HD2      LEU 150  -7.742  -4.791  -0.692
  141    H    TYR 151           H        TYR 151  -9.553  -9.294   3.606
  142    HA   TYR 151           HA       TYR 151 -11.984  -8.499   4.985
  143    HB2  TYR 151           HB2      TYR 151 -11.614 -10.829   4.104
  144    HB3  TYR 151           HB1      TYR 151 -10.330 -11.023   5.288
  145    HD1  TYR 151           HD2      TYR 151 -13.970 -10.627   4.848
  146    HD2  TYR 151           HD1      TYR 151 -10.823 -11.510   7.574
  147    HE1  TYR 151           HE2      TYR 151 -15.621 -11.420   6.487
  148    HE2  TYR 151           HE1      TYR 151 -12.467 -12.310   9.217
  149    HH   TYR 151           HH       TYR 151 -14.809 -12.066   9.748
  150    H    GLN 152           H        GLN 152  -8.587  -8.588   5.415
  151    HA   GLN 152           HA       GLN 152  -8.514  -8.467   8.257
  152    HB2  GLN 152           HB2      GLN 152  -6.192  -8.053   8.019
  153    HB3  GLN 152           HB1      GLN 152  -6.632  -9.168   6.736
  154    HG2  GLN 152           HG2      GLN 152  -6.721  -7.282   5.161
  155    HG3  GLN 152           HG1      GLN 152  -6.160  -6.219   6.454
  156   HE21  GLN 152          1HE2      GLN 152  -4.080  -6.512   7.279
  157   HE22  GLN 152          2HE2      GLN 152  -2.852  -7.303   6.363
  158    H    LEU 153           H        LEU 153  -9.303  -6.217   5.844
  159    HA   LEU 153           HA       LEU 153  -8.421  -3.840   7.166
  160    HB2  LEU 153           HB2      LEU 153 -10.349  -4.310   4.900
  161    HB3  LEU 153           HB1      LEU 153  -9.944  -2.714   5.500
  162    HG   LEU 153           HG       LEU 153  -8.007  -4.669   4.271
  163   HD11  LEU 153          1HD1      LEU 153  -9.586  -3.704   2.669
  164   HD12  LEU 153          2HD1      LEU 153  -7.946  -3.103   2.415
  165   HD13  LEU 153          3HD1      LEU 153  -9.144  -2.086   3.217
  166   HD21  LEU 153          3HD2      LEU 153  -6.417  -2.813   4.365
  167   HD22  LEU 153          1HD2      LEU 153  -6.950  -3.283   5.979
  168   HD23  LEU 153          2HD2      LEU 153  -7.609  -1.833   5.220
  169    H    GLN 154           H        GLN 154 -10.058  -2.067   7.585
  170    HA   GLN 154           HA       GLN 154 -12.099  -3.064   9.379
  171    HB2  GLN 154           HB2      GLN 154 -10.830  -0.412   8.850
  172    HB3  GLN 154           HB1      GLN 154 -12.420  -0.442   9.601
  173    HG2  GLN 154           HG2      GLN 154 -10.745  -0.310  11.302
  174    HG3  GLN 154           HG1      GLN 154 -11.520  -1.886  11.380
  175   HE21  GLN 154          1HE2      GLN 154  -9.039  -0.938   9.058
  176   HE22  GLN 154          2HE2      GLN 154  -7.831  -2.016   9.657
  177    H    VAL 155           H        VAL 155 -14.282  -2.687   9.183
  178    HA   VAL 155           HA       VAL 155 -15.440  -2.938   6.681
  179    HB   VAL 155           HB       VAL 155 -16.633  -2.004   9.293
  180   HG11  VAL 155          1HG1      VAL 155 -18.079  -2.748   6.754
  181   HG12  VAL 155          2HG1      VAL 155 -18.008  -1.137   7.471
  182   HG13  VAL 155          3HG1      VAL 155 -18.833  -2.444   8.319
  183   HG21  VAL 155          3HG2      VAL 155 -16.849  -4.620   7.815
  184   HG22  VAL 155          1HG2      VAL 155 -17.536  -4.246   9.394
  185   HG23  VAL 155          2HG2      VAL 155 -15.785  -4.315   9.191
  186    H    ASN 156           H        ASN 156 -14.992  -0.018   8.640
  187    HA   ASN 156           HA       ASN 156 -16.443   1.773   7.054
  188    HB2  ASN 156           HB2      ASN 156 -13.982   2.269   8.741
  189    HB3  ASN 156           HB1      ASN 156 -14.995   3.538   8.062
  190   HD21  ASN 156          1HD2      ASN 156 -14.346   2.795  10.823
  191   HD22  ASN 156          2HD2      ASN 156 -15.869   2.565  11.616
  192    H    THR 157           H        THR 157 -13.178   0.559   6.712
  193    HA   THR 157           HA       THR 157 -12.329   2.418   4.742
  194    HB   THR 157           HB       THR 157 -11.264  -0.367   5.235
  195    HG1  THR 157           HG1      THR 157  -9.903   0.616   6.759
  196   HG21  THR 157          3HG2      THR 157  -9.939   2.113   4.126
  197   HG22  THR 157          1HG2      THR 157 -10.440   0.707   3.184
  198   HG23  THR 157          2HG2      THR 157  -9.162   0.552   4.391
  199    H    LEU 158           H        LEU 158 -13.699  -0.842   4.621
  200    HA   LEU 158           HA       LEU 158 -13.541  -1.194   1.824
  201    HB2  LEU 158           HB2      LEU 158 -15.527  -2.366   3.777
  202    HB3  LEU 158           HB1      LEU 158 -15.210  -2.962   2.160
  203    HG   LEU 158           HG       LEU 158 -13.173  -2.918   4.387
  204   HD11  LEU 158          1HD1      LEU 158 -13.519  -5.333   4.493
  205   HD12  LEU 158          2HD1      LEU 158 -14.826  -5.196   3.317
  206   HD13  LEU 158          3HD1      LEU 158 -14.987  -4.448   4.906
  207   HD21  LEU 158          3HD2      LEU 158 -13.136  -4.218   1.666
  208   HD22  LEU 158          1HD2      LEU 158 -11.894  -4.381   2.906
  209   HD23  LEU 158          2HD2      LEU 158 -12.190  -2.813   2.159
  210    H    ARG 159           H        ARG 159 -16.041   0.104   3.948
  211    HA   ARG 159           HA       ARG 159 -17.981   0.604   1.962
  212    HB2  ARG 159           HB2      ARG 159 -17.469   1.903   4.642
  213    HB3  ARG 159           HB1      ARG 159 -18.877   2.250   3.646
  214    HG2  ARG 159           HG2      ARG 159 -19.719   0.067   3.896
  215    HG3  ARG 159           HG1      ARG 159 -18.192  -0.531   4.543
  216    HD2  ARG 159           HD2      ARG 159 -19.944  -0.229   6.267
  217    HD3  ARG 159           HD1      ARG 159 -18.491   0.723   6.568
  218    HE   ARG 159           HE       ARG 159 -19.723   2.669   5.734
  219   HH11  ARG 159          1HH1      ARG 159 -21.567  -0.163   6.644
  220   HH12  ARG 159          2HH1      ARG 159 -23.006   0.742   7.038
  221   HH21  ARG 159          1HH2      ARG 159 -21.614   3.863   6.239
  222   HH22  ARG 159          2HH2      ARG 159 -23.029   3.024   6.805
  223    H    ARG 160           H        ARG 160 -15.267   2.480   3.175
  224    HA   ARG 160           HA       ARG 160 -15.869   4.899   1.844
  225    HB2  ARG 160           HB2      ARG 160 -14.188   4.417   3.748
  226    HB3  ARG 160           HB1      ARG 160 -13.078   3.976   2.462
  227    HG2  ARG 160           HG2      ARG 160 -13.233   6.191   1.509
  228    HG3  ARG 160           HG1      ARG 160 -14.442   6.647   2.710
  229    HD2  ARG 160           HD2      ARG 160 -11.574   5.888   3.249
  230    HD3  ARG 160           HD1      ARG 160 -12.265   7.509   3.344
  231    HE   ARG 160           HE       ARG 160 -13.591   6.728   5.239
  232   HH11  ARG 160          1HH1      ARG 160 -10.868   4.754   4.248
  233   HH12  ARG 160          2HH1      ARG 160 -10.699   3.990   5.798
  234   HH21  ARG 160          1HH2      ARG 160 -13.373   5.704   7.285
  235   HH22  ARG 160          2HH2      ARG 160 -12.118   4.517   7.516
  236    H    TYR 161           H        TYR 161 -13.896   2.084   0.956
  237    HA   TYR 161           HA       TYR 161 -13.026   2.893  -1.553
  238    HB2  TYR 161           HB2      TYR 161 -12.306   0.786  -0.523
  239    HB3  TYR 161           HB1      TYR 161 -13.933   0.133  -0.685
  240    HD1  TYR 161           HD2      TYR 161 -14.775  -0.566  -2.867
  241    HD2  TYR 161           HD1      TYR 161 -10.824   0.942  -2.437
  242    HE1  TYR 161           HE2      TYR 161 -14.210  -1.433  -5.091
  243    HE2  TYR 161           HE1      TYR 161 -10.246   0.073  -4.666
  244    HH   TYR 161           HH       TYR 161 -11.042  -1.665  -6.234
  245    H    LYS 162           H        LYS 162 -16.044   1.243  -0.682
  246    HA   LYS 162           HA       LYS 162 -17.107   1.055  -3.270
  247    HB2  LYS 162           HB2      LYS 162 -18.594   1.291  -0.654
  248    HB3  LYS 162           HB1      LYS 162 -19.274   0.725  -2.170
  249    HG2  LYS 162           HG2      LYS 162 -17.662  -1.160  -2.122
  250    HG3  LYS 162           HG1      LYS 162 -17.148  -0.617  -0.521
  251    HD2  LYS 162           HD2      LYS 162 -18.747  -2.208   0.008
  252    HD3  LYS 162           HD1      LYS 162 -19.687  -0.720   0.035
  253    HE2  LYS 162           HE2      LYS 162 -19.524  -2.698  -2.232
  254    HE3  LYS 162           HE1      LYS 162 -20.881  -2.485  -1.136
  255    HZ1  LYS 162           HZ1      LYS 162 -19.890  -0.528  -3.130
  256    HZ2  LYS 162           HZ2      LYS 162 -21.105  -0.193  -2.003
  257    HZ3  LYS 162           HZ3      LYS 162 -21.348  -1.385  -3.189
  258    H    ARG 163           H        ARG 163 -17.221   3.633  -0.903
  259    HA   ARG 163           HA       ARG 163 -19.277   5.095  -2.255
  260    HB2  ARG 163           HB2      ARG 163 -18.848   5.213   0.193
  261    HB3  ARG 163           HB1      ARG 163 -17.342   6.052  -0.144
  262    HG2  ARG 163           HG2      ARG 163 -19.048   7.633   0.484
  263    HG3  ARG 163           HG1      ARG 163 -18.613   7.866  -1.212
  264    HD2  ARG 163           HD2      ARG 163 -20.578   6.574  -1.888
  265    HD3  ARG 163           HD1      ARG 163 -21.014   6.346  -0.196
  266    HE   ARG 163           HE       ARG 163 -20.778   9.100  -0.717
  267   HH11  ARG 163          1HH1      ARG 163 -22.852   6.368  -1.416
  268   HH12  ARG 163          2HH1      ARG 163 -24.274   7.334  -1.662
  269   HH21  ARG 163          1HH2      ARG 163 -22.655  10.389  -1.013
  270   HH22  ARG 163          2HH2      ARG 163 -24.158   9.628  -1.453
  271    H    HIS 164           H        HIS 164 -15.760   5.152  -2.215
  272    HA   HIS 164           HA       HIS 164 -15.577   7.576  -3.747
  273    HB2  HIS 164           HB2      HIS 164 -13.659   5.606  -2.646
  274    HB3  HIS 164           HB1      HIS 164 -13.135   6.484  -4.079
  275    HD1  HIS 164           HD1      HIS 164 -13.477   6.805  -0.456
  276    HD2  HIS 164           HD2      HIS 164 -13.102   9.360  -3.706
  277    HE1  HIS 164           HE1      HIS 164 -12.731   9.008   0.502
  278    HE2  HIS 164           HE2      HIS 164 -12.292  10.468  -1.512
  279    H    PHE 165           H        PHE 165 -15.318   4.114  -4.467
  280    HA   PHE 165           HA       PHE 165 -14.899   4.715  -7.279
  281    HB2  PHE 165           HB2      PHE 165 -14.877   2.172  -5.679
  282    HB3  PHE 165           HB1      PHE 165 -14.918   2.136  -7.439
  283    HD1  PHE 165           HD2      PHE 165 -12.937   3.126  -4.504
  284    HD2  PHE 165           HD1      PHE 165 -13.009   2.689  -8.733
  285    HE1  PHE 165           HE2      PHE 165 -10.492   3.404  -4.575
  286    HE2  PHE 165           HE1      PHE 165 -10.568   2.970  -8.811
  287    HZ   PHE 165           HZ       PHE 165  -9.307   3.328  -6.727
  288    H    LYS 166           H        LYS 166 -17.506   4.700  -5.392
  289    HA   LYS 166           HA       LYS 166 -19.750   4.580  -5.692
  290    HB2  LYS 166           HB2      LYS 166 -19.147   4.744  -8.646
  291    HB3  LYS 166           HB1      LYS 166 -20.618   5.249  -7.829
  292    HG2  LYS 166           HG2      LYS 166 -17.904   6.520  -7.534
  293    HG3  LYS 166           HG1      LYS 166 -19.257   7.159  -8.468
  294    HD2  LYS 166           HD2      LYS 166 -20.571   7.424  -6.453
  295    HD3  LYS 166           HD1      LYS 166 -19.302   6.666  -5.490
  296    HE2  LYS 166           HE2      LYS 166 -19.176   9.054  -5.216
  297    HE3  LYS 166           HE1      LYS 166 -17.774   8.504  -6.133
  298    HZ1  LYS 166           HZ1      LYS 166 -20.205   9.822  -7.211
  299    HZ2  LYS 166           HZ2      LYS 166 -18.972   9.169  -8.175
  300    HZ3  LYS 166           HZ3      LYS 166 -18.639  10.469  -7.141
  301    H    LEU 167           H        LEU 167 -19.616   2.304  -4.948
  302    HA   LEU 167           HA       LEU 167 -20.108   0.402  -7.151
  303    HB2  LEU 167           HB2      LEU 167 -19.059  -0.100  -4.367
  304    HB3  LEU 167           HB1      LEU 167 -19.446  -1.361  -5.521
  305    HG   LEU 167           HG       LEU 167 -17.290   0.730  -5.831
  306   HD11  LEU 167          1HD1      LEU 167 -16.741  -0.978  -4.197
  307   HD12  LEU 167          2HD1      LEU 167 -15.775  -1.182  -5.658
  308   HD13  LEU 167          3HD1      LEU 167 -17.152  -2.242  -5.357
  309   HD21  LEU 167          3HD2      LEU 167 -16.648  -0.544  -7.833
  310   HD22  LEU 167          1HD2      LEU 167 -18.246   0.187  -7.990
  311   HD23  LEU 167          2HD2      LEU 167 -18.093  -1.537  -7.649
  312    HA   PRO 168           HA       PRO 168 -24.263  -0.148  -5.757
  313    HB2  PRO 168           HB2      PRO 168 -24.650  -2.729  -6.572
  314    HB3  PRO 168           HB1      PRO 168 -24.687  -1.340  -7.665
  315    HG2  PRO 168           HG2      PRO 168 -22.470  -3.276  -7.132
  316    HG3  PRO 168           HG1      PRO 168 -23.015  -2.593  -8.675
  317    HD2  PRO 168           HD2      PRO 168 -20.833  -1.668  -7.393
  318    HD3  PRO 168           HD1      PRO 168 -21.895  -0.599  -8.333
  319    H    THR 169           H        THR 169 -25.560  -1.440  -4.284
  320    HA   THR 169           HA       THR 169 -24.055  -3.249  -2.537
  321    HB   THR 169           HB       THR 169 -25.127  -2.117  -0.535
  322    HG1  THR 169           HG1      THR 169 -26.007  -0.126  -0.799
  323   HG21  THR 169          3HG2      THR 169 -23.133  -0.449  -2.072
  324   HG22  THR 169          1HG2      THR 169 -22.735  -1.889  -1.130
  325   HG23  THR 169          2HG2      THR 169 -23.387  -0.460  -0.325
  326    H    ARG 170           H        ARG 170 -25.696  -4.055  -0.754
  327    HA   ARG 170           HA       ARG 170 -28.400  -4.335  -1.782
  328    HB2  ARG 170           HB2      ARG 170 -28.360  -6.793  -1.465
  329    HB3  ARG 170           HB1      ARG 170 -27.283  -6.262  -2.747
  330    HG2  ARG 170           HG2      ARG 170 -25.382  -6.446  -1.189
  331    HG3  ARG 170           HG1      ARG 170 -26.486  -7.061   0.045
  332    HD2  ARG 170           HD2      ARG 170 -27.036  -8.961  -1.370
  333    HD3  ARG 170           HD1      ARG 170 -25.995  -8.333  -2.647
  334    HE   ARG 170           HE       ARG 170 -24.650  -8.750  -0.132
  335   HH11  ARG 170          1HH1      ARG 170 -25.617 -10.217  -3.169
  336   HH12  ARG 170          2HH1      ARG 170 -24.406 -11.467  -3.094
  337   HH21  ARG 170          1HH2      ARG 170 -23.058 -10.384  -0.044
  338   HH22  ARG 170          2HH2      ARG 170 -22.950 -11.559  -1.320
  339    HA   PRO 171           HA       PRO 171 -29.441  -3.734   2.458
  340    HB2  PRO 171           HB2      PRO 171 -31.578  -5.750   2.035
  341    HB3  PRO 171           HB1      PRO 171 -31.700  -4.079   2.597
  342    HG2  PRO 171           HG2      PRO 171 -32.462  -4.749   0.133
  343    HG3  PRO 171           HG1      PRO 171 -31.632  -3.212   0.450
  344    HD2  PRO 171           HD2      PRO 171 -30.555  -5.743  -0.728
  345    HD3  PRO 171           HD1      PRO 171 -30.215  -4.058  -1.173
  346    H    GLY 172           H        GLY 172 -28.505  -4.563   4.196
  347    HA2  GLY 172           HA2      GLY 172 -28.270  -6.260   5.849
  348    HA3  GLY 172           HA1      GLY 172 -28.555  -7.472   4.607
  349    H    LEU 173           H        LEU 173 -26.339  -4.729   4.443
  350    HA   LEU 173           HA       LEU 173 -24.194  -6.325   3.533
  351    HB2  LEU 173           HB2      LEU 173 -24.253  -3.526   4.647
  352    HB3  LEU 173           HB1      LEU 173 -22.803  -4.278   4.008
  353    HG   LEU 173           HG       LEU 173 -25.326  -3.712   2.446
  354   HD11  LEU 173          1HD1      LEU 173 -23.978  -2.050   1.293
  355   HD12  LEU 173          2HD1      LEU 173 -22.595  -2.437   2.319
  356   HD13  LEU 173          3HD1      LEU 173 -24.037  -1.703   3.023
  357   HD21  LEU 173          3HD2      LEU 173 -24.028  -4.420   0.499
  358   HD22  LEU 173          1HD2      LEU 173 -24.182  -5.733   1.667
  359   HD23  LEU 173          2HD2      LEU 173 -22.670  -4.832   1.547
  360    H    ASN 174           H        ASN 174 -22.181  -6.715   4.533
  361    HA   ASN 174           HA       ASN 174 -21.891  -6.486   7.386
  362    HB2  ASN 174           HB2      ASN 174 -23.233  -8.643   6.839
  363    HB3  ASN 174           HB1      ASN 174 -21.716  -9.248   6.183
  364   HD21  ASN 174          1HD2      ASN 174 -23.454  -8.360   9.036
  365   HD22  ASN 174          2HD2      ASN 174 -22.334  -9.040  10.166
  366    H    LYS 175           H        LYS 175 -19.686  -8.123   7.707
  367    HA   LYS 175           HA       LYS 175 -17.695  -6.546   6.481
  368    HB2  LYS 175           HB2      LYS 175 -17.364  -7.575   8.663
  369    HB3  LYS 175           HB1      LYS 175 -17.462  -9.176   7.947
  370    HG2  LYS 175           HG2      LYS 175 -15.157  -8.416   8.479
  371    HG3  LYS 175           HG1      LYS 175 -15.404  -8.873   6.793
  372    HD2  LYS 175           HD2      LYS 175 -15.469  -6.608   6.094
  373    HD3  LYS 175           HD1      LYS 175 -15.572  -6.025   7.759
  374    HE2  LYS 175           HE2      LYS 175 -13.222  -7.470   6.543
  375    HE3  LYS 175           HE1      LYS 175 -13.333  -5.728   6.790
  376    HZ1  LYS 175           HZ1      LYS 175 -12.087  -6.747   8.556
  377    HZ2  LYS 175           HZ2      LYS 175 -13.356  -7.808   8.916
  378    HZ3  LYS 175           HZ3      LYS 175 -13.541  -6.143   9.182
  379    H    ALA 176           H        ALA 176 -18.303 -10.055   6.088
  380    HA   ALA 176           HA       ALA 176 -16.510 -10.452   3.988
  381    HB1  ALA 176           HB1      ALA 176 -17.680 -12.540   3.571
  382    HB2  ALA 176           HB2      ALA 176 -19.052 -11.979   4.528
  383    HB3  ALA 176           HB3      ALA 176 -17.495 -12.269   5.304
  384    H    GLN 177           H        GLN 177 -19.778  -9.268   3.969
  385    HA   GLN 177           HA       GLN 177 -20.442  -9.509   1.262
  386    HB2  GLN 177           HB2      GLN 177 -21.145  -7.359   3.275
  387    HB3  GLN 177           HB1      GLN 177 -21.924  -7.536   1.706
  388    HG2  GLN 177           HG2      GLN 177 -21.930  -9.973   3.319
  389    HG3  GLN 177           HG1      GLN 177 -22.800  -8.622   4.045
  390   HE21  GLN 177          1HE2      GLN 177 -23.789 -11.148   2.940
  391   HE22  GLN 177          2HE2      GLN 177 -24.937 -10.702   1.724
  392    H    LEU 178           H        LEU 178 -19.021  -6.777   2.998
  393    HA   LEU 178           HA       LEU 178 -18.637  -5.134   0.747
  394    HB2  LEU 178           HB2      LEU 178 -17.168  -5.117   3.383
  395    HB3  LEU 178           HB1      LEU 178 -17.227  -3.800   2.226
  396    HG   LEU 178           HG       LEU 178 -19.663  -4.889   3.630
  397   HD11  LEU 178          1HD1      LEU 178 -18.135  -3.964   5.263
  398   HD12  LEU 178          2HD1      LEU 178 -19.515  -2.888   5.037
  399   HD13  LEU 178          3HD1      LEU 178 -17.961  -2.498   4.299
  400   HD21  LEU 178          3HD2      LEU 178 -20.090  -3.746   1.504
  401   HD22  LEU 178          1HD2      LEU 178 -19.198  -2.340   2.088
  402   HD23  LEU 178          2HD2      LEU 178 -20.700  -2.822   2.877
  403    H    VAL 179           H        VAL 179 -16.545  -7.420   2.439
  404    HA   VAL 179           HA       VAL 179 -14.147  -6.786   1.128
  405    HB   VAL 179           HB       VAL 179 -14.924  -9.519   2.166
  406   HG11  VAL 179          1HG1      VAL 179 -12.537  -9.806   2.492
  407   HG12  VAL 179          2HG1      VAL 179 -12.241  -8.186   1.859
  408   HG13  VAL 179          3HG1      VAL 179 -12.888  -9.445   0.802
  409   HG21  VAL 179          3HG2      VAL 179 -13.893  -8.822   4.280
  410   HG22  VAL 179          1HG2      VAL 179 -15.311  -7.848   3.892
  411   HG23  VAL 179          2HG2      VAL 179 -13.693  -7.192   3.639
  412    H    GLU 180           H        GLU 180 -16.758  -9.014   0.269
  413    HA   GLU 180           HA       GLU 180 -15.492 -10.138  -1.989
  414    HB2  GLU 180           HB2      GLU 180 -18.393  -9.811  -1.256
  415    HB3  GLU 180           HB1      GLU 180 -17.882 -10.592  -2.747
  416    HG2  GLU 180           HG2      GLU 180 -16.605 -12.226  -1.417
  417    HG3  GLU 180           HG1      GLU 180 -17.222 -11.470   0.052
  418    H    ILE 181           H        ILE 181 -17.857  -7.464  -1.745
  419    HA   ILE 181           HA       ILE 181 -17.874  -6.847  -4.492
  420    HB   ILE 181           HB       ILE 181 -18.320  -4.893  -2.225
  421   HG12  ILE 181          2HG1      ILE 181 -20.328  -6.658  -3.653
  422   HG13  ILE 181          1HG1      ILE 181 -19.740  -6.919  -2.015
  423   HG21  ILE 181          1HG2      ILE 181 -18.070  -3.742  -4.303
  424   HG22  ILE 181          2HG2      ILE 181 -19.792  -3.782  -3.921
  425   HG23  ILE 181          3HG2      ILE 181 -19.130  -4.886  -5.124
  426   HD11  ILE 181          3HD1      ILE 181 -21.945  -5.888  -2.030
  427   HD12  ILE 181          1HD1      ILE 181 -21.313  -4.529  -2.957
  428   HD13  ILE 181          2HD1      ILE 181 -20.747  -4.812  -1.312
  429    H    VAL 182           H        VAL 182 -15.983  -5.421  -1.834
  430    HA   VAL 182           HA       VAL 182 -14.572  -3.543  -3.363
  431    HB   VAL 182           HB       VAL 182 -13.765  -4.951  -0.811
  432   HG11  VAL 182          1HG1      VAL 182 -12.090  -3.185  -0.529
  433   HG12  VAL 182          2HG1      VAL 182 -12.484  -2.555  -2.127
  434   HG13  VAL 182          3HG1      VAL 182 -11.766  -4.158  -1.965
  435   HG21  VAL 182          3HG2      VAL 182 -15.743  -3.564  -0.601
  436   HG22  VAL 182          1HG2      VAL 182 -14.894  -2.206  -1.340
  437   HG23  VAL 182          2HG2      VAL 182 -14.381  -2.817   0.234
  438    H    GLY 183           H        GLY 183 -13.674  -6.874  -2.447
  439    HA2  GLY 183           HA2      GLY 183 -11.152  -6.878  -3.686
  440    HA3  GLY 183           HA1      GLY 183 -12.110  -8.306  -3.318
  441    H    CYS 184           H        CYS 184 -14.349  -7.631  -4.921
  442    HA   CYS 184           HA       CYS 184 -13.581  -8.767  -7.363
  443    HB2  CYS 184           HB2      CYS 184 -15.867  -8.830  -6.324
  444    HB3  CYS 184           HB1      CYS 184 -16.080  -7.154  -6.818
  445    HG   CYS 184           HG       CYS 184 -15.712  -7.841  -9.598
  446    H    HIS 185           H        HIS 185 -14.243  -5.381  -6.468
  447    HA   HIS 185           HA       HIS 185 -13.628  -4.536  -9.182
  448    HB2  HIS 185           HB2      HIS 185 -15.420  -3.435  -7.798
  449    HB3  HIS 185           HB1      HIS 185 -14.139  -2.760  -6.795
  450    HD1  HIS 185           HD1      HIS 185 -12.943  -0.709  -7.660
  451    HD2  HIS 185           HD2      HIS 185 -15.452  -2.429 -10.490
  452    HE1  HIS 185           HE1      HIS 185 -13.052   0.936  -9.561
  453    HE2  HIS 185           HE2      HIS 185 -14.393  -0.231 -11.347
  454    H    PHE 186           H        PHE 186 -11.994  -4.797  -6.132
  455    HA   PHE 186           HA       PHE 186  -9.915  -2.960  -6.511
  456    HB2  PHE 186           HB2      PHE 186 -10.433  -4.059  -4.365
  457    HB3  PHE 186           HB1      PHE 186  -9.898  -5.598  -5.025
  458    HD1  PHE 186           HD1      PHE 186  -8.831  -2.287  -3.884
  459    HD2  PHE 186           HD2      PHE 186  -7.586  -6.135  -5.198
  460    HE1  PHE 186           HE1      PHE 186  -6.552  -1.813  -3.109
  461    HE2  PHE 186           HE2      PHE 186  -5.307  -5.668  -4.425
  462    HZ   PHE 186           HZ       PHE 186  -4.780  -3.502  -3.375
  463    H    LYS 187           H        LYS 187 -10.239  -6.359  -7.409
  464    HA   LYS 187           HA       LYS 187  -7.585  -6.466  -8.530
  465    HB2  LYS 187           HB2      LYS 187  -9.869  -8.441  -8.588
  466    HB3  LYS 187           HB1      LYS 187  -8.267  -8.760  -9.238
  467    HG2  LYS 187           HG2      LYS 187  -7.302  -8.447  -7.012
  468    HG3  LYS 187           HG1      LYS 187  -8.915  -8.146  -6.362
  469    HD2  LYS 187           HD2      LYS 187  -8.023 -10.694  -7.715
  470    HD3  LYS 187           HD1      LYS 187  -8.161 -10.462  -5.971
  471    HE2  LYS 187           HE2      LYS 187 -10.553 -10.035  -6.218
  472    HE3  LYS 187           HE1      LYS 187 -10.416 -10.249  -7.962
  473    HZ1  LYS 187           HZ1      LYS 187 -11.242 -12.250  -6.896
  474    HZ2  LYS 187           HZ2      LYS 187  -9.857 -12.333  -5.914
  475    HZ3  LYS 187           HZ3      LYS 187  -9.721 -12.532  -7.593
  476    H    SER 188           H        SER 188 -10.122  -4.858  -9.636
  477    HA   SER 188           HA       SER 188  -9.457  -5.479 -12.427
  478    HB2  SER 188           HB2      SER 188 -11.867  -4.584 -12.873
  479    HB3  SER 188           HB1      SER 188 -11.647  -6.241 -12.315
  480    HG   SER 188           HG       SER 188 -12.396  -5.708 -10.357
  481    H    ILE 189           H        ILE 189  -8.674  -3.382 -10.265
  482    HA   ILE 189           HA       ILE 189  -9.419  -0.885 -11.497
  483    HB   ILE 189           HB       ILE 189  -7.336  -1.477  -9.386
  484   HG12  ILE 189          2HG1      ILE 189 -10.124  -0.331  -9.124
  485   HG13  ILE 189          1HG1      ILE 189  -9.650  -1.968  -8.684
  486   HG21  ILE 189          1HG2      ILE 189  -7.379   0.939  -8.935
  487   HG22  ILE 189          2HG2      ILE 189  -8.436   1.168 -10.328
  488   HG23  ILE 189          3HG2      ILE 189  -6.792   0.570 -10.558
  489   HD11  ILE 189          3HD1      ILE 189  -8.162  -1.093  -6.977
  490   HD12  ILE 189          1HD1      ILE 189  -9.814  -0.525  -6.735
  491   HD13  ILE 189          2HD1      ILE 189  -8.602   0.555  -7.426
  492    HA   PRO 190           HA       PRO 190  -6.065  -1.090 -14.503
  493    HB2  PRO 190           HB2      PRO 190  -7.019   1.566 -15.282
  494    HB3  PRO 190           HB1      PRO 190  -6.988   0.074 -16.224
  495    HG2  PRO 190           HG2      PRO 190  -9.289   1.186 -15.345
  496    HG3  PRO 190           HG1      PRO 190  -9.084  -0.567 -15.527
  497    HD2  PRO 190           HD2      PRO 190  -8.956   1.111 -13.048
  498    HD3  PRO 190           HD1      PRO 190  -9.710  -0.479 -13.293
  499    H    VAL 191           H        VAL 191  -4.075  -0.663 -13.773
  500    HA   VAL 191           HA       VAL 191  -3.592   1.966 -12.535
  501    HB   VAL 191           HB       VAL 191  -3.810  -0.032 -10.933
  502   HG11  VAL 191          1HG1      VAL 191  -1.082  -0.620 -12.058
  503   HG12  VAL 191          2HG1      VAL 191  -2.513  -1.646 -12.164
  504   HG13  VAL 191          3HG1      VAL 191  -1.762  -1.340 -10.597
  505   HG21  VAL 191          3HG2      VAL 191  -1.336   1.680 -10.850
  506   HG22  VAL 191          1HG2      VAL 191  -2.018   0.794  -9.485
  507   HG23  VAL 191          2HG2      VAL 191  -2.931   2.106 -10.231
  508    H    ASN 192           H        ASN 192  -1.371   2.707 -12.628
  509    HA   ASN 192           HA       ASN 192   0.255   1.426 -14.727
  510    HB2  ASN 192           HB2      ASN 192  -0.312   4.387 -14.418
  511    HB3  ASN 192           HB1      ASN 192   0.922   3.724 -15.482
  512   HD21  ASN 192          1HD2      ASN 192   0.309   2.622 -17.338
  513   HD22  ASN 192          2HD2      ASN 192  -1.294   2.745 -17.987
  514    H    GLU 193           H        GLU 193   2.465   1.408 -14.355
  515    HA   GLU 193           HA       GLU 193   3.256   1.296 -11.698
  516    HB2  GLU 193           HB2      GLU 193   4.447   0.104 -13.430
  517    HB3  GLU 193           HB1      GLU 193   4.946   1.616 -14.179
  518    HG2  GLU 193           HG2      GLU 193   6.121   2.126 -11.979
  519    HG3  GLU 193           HG1      GLU 193   5.862   0.428 -11.583
  520    H    LYS 194           H        LYS 194   4.463   3.731 -14.043
  521    HA   LYS 194           HA       LYS 194   5.745   5.168 -11.924
  522    HB2  LYS 194           HB2      LYS 194   6.736   5.141 -14.126
  523    HB3  LYS 194           HB1      LYS 194   5.304   5.896 -14.817
  524    HG2  LYS 194           HG2      LYS 194   5.729   7.922 -13.575
  525    HG3  LYS 194           HG1      LYS 194   7.105   7.169 -12.767
  526    HD2  LYS 194           HD2      LYS 194   8.282   6.974 -14.844
  527    HD3  LYS 194           HD1      LYS 194   6.878   7.551 -15.741
  528    HE2  LYS 194           HE2      LYS 194   8.458   9.349 -15.530
  529    HE3  LYS 194           HE1      LYS 194   7.048   9.704 -14.537
  530    HZ1  LYS 194           HZ1      LYS 194   9.651   8.651 -13.567
  531    HZ2  LYS 194           HZ2      LYS 194   8.288   8.924 -12.592
  532    HZ3  LYS 194           HZ3      LYS 194   9.059  10.226 -13.352
  533    H    ASP 195           H        ASP 195   2.811   5.570 -13.780
  534    HA   ASP 195           HA       ASP 195   2.081   8.154 -13.063
  535    HB2  ASP 195           HB2      ASP 195   0.912   6.686 -14.729
  536    HB3  ASP 195           HB1      ASP 195   0.219   5.785 -13.386
  537    H    THR 196           H        THR 196   1.402   5.089 -11.437
  538    HA   THR 196           HA       THR 196  -0.036   6.318  -9.297
  539    HB   THR 196           HB       THR 196   1.014   3.500  -9.588
  540    HG1  THR 196           HG1      THR 196  -0.900   4.793 -10.872
  541   HG21  THR 196          3HG2      THR 196  -1.055   4.651  -7.713
  542   HG22  THR 196          1HG2      THR 196   0.540   4.059  -7.257
  543   HG23  THR 196          2HG2      THR 196  -0.669   2.937  -7.888
  544    H    LEU 197           H        LEU 197   3.277   5.100  -9.733
  545    HA   LEU 197           HA       LEU 197   4.137   5.348  -7.079
  546    HB2  LEU 197           HB2      LEU 197   5.689   5.862  -9.623
  547    HB3  LEU 197           HB1      LEU 197   6.411   5.726  -8.034
  548    HG   LEU 197           HG       LEU 197   5.073   3.562  -9.643
  549   HD11  LEU 197          1HD1      LEU 197   7.397   4.031 -10.187
  550   HD12  LEU 197          2HD1      LEU 197   7.235   2.456  -9.406
  551   HD13  LEU 197          3HD1      LEU 197   7.842   3.840  -8.491
  552   HD21  LEU 197          3HD2      LEU 197   5.429   2.072  -7.754
  553   HD22  LEU 197          1HD2      LEU 197   4.326   3.381  -7.328
  554   HD23  LEU 197          2HD2      LEU 197   6.002   3.426  -6.780
  555    H    THR 198           H        THR 198   4.059   7.711  -9.709
  556    HA   THR 198           HA       THR 198   5.170   9.863  -8.299
  557    HB   THR 198           HB       THR 198   3.154  10.008 -10.551
  558    HG1  THR 198           HG1      THR 198   4.790   8.861 -11.407
  559   HG21  THR 198          3HG2      THR 198   3.541  12.156  -9.437
  560   HG22  THR 198          1HG2      THR 198   4.244  12.151 -11.055
  561   HG23  THR 198          2HG2      THR 198   5.280  11.956  -9.641
  562    H    CYS 199           H        CYS 199   1.777   8.859  -8.714
  563    HA   CYS 199           HA       CYS 199   0.558  10.972  -7.354
  564    HB2  CYS 199           HB2      CYS 199  -0.306   8.069  -7.418
  565    HB3  CYS 199           HB1      CYS 199  -1.324   9.434  -6.968
  566    HG   CYS 199           HG       CYS 199  -0.087   8.721 -10.077
  567    H    PHE 200           H        PHE 200   1.685   7.842  -6.097
  568    HA   PHE 200           HA       PHE 200   0.824   8.286  -3.448
  569    HB2  PHE 200           HB2      PHE 200   1.261   6.047  -4.322
  570    HB3  PHE 200           HB1      PHE 200   2.972   6.434  -4.497
  571    HD1  PHE 200           HD1      PHE 200   0.297   6.342  -1.905
  572    HD2  PHE 200           HD2      PHE 200   4.421   5.817  -2.812
  573    HE1  PHE 200           HE1      PHE 200   0.695   5.538   0.385
  574    HE2  PHE 200           HE2      PHE 200   4.823   5.010  -0.524
  575    HZ   PHE 200           HZ       PHE 200   2.961   4.873   1.077
  576    H    ILE 201           H        ILE 201   4.014   8.690  -4.985
  577    HA   ILE 201           HA       ILE 201   5.402   9.316  -2.627
  578    HB   ILE 201           HB       ILE 201   6.026  10.118  -5.472
  579   HG12  ILE 201          2HG1      ILE 201   7.098   7.884  -3.727
  580   HG13  ILE 201          1HG1      ILE 201   5.947   7.687  -5.046
  581   HG21  ILE 201          1HG2      ILE 201   8.310  10.537  -4.684
  582   HG22  ILE 201          2HG2      ILE 201   7.793  10.231  -3.027
  583   HG23  ILE 201          3HG2      ILE 201   7.150  11.614  -3.911
  584   HD11  ILE 201          3HD1      ILE 201   8.788   8.641  -5.301
  585   HD12  ILE 201          1HD1      ILE 201   7.637   8.465  -6.626
  586   HD13  ILE 201          2HD1      ILE 201   8.172   7.044  -5.731
  587    H    TYR 202           H        TYR 202   3.832  11.417  -5.025
  588    HA   TYR 202           HA       TYR 202   4.617  13.854  -3.806
  589    HB2  TYR 202           HB2      TYR 202   2.570  13.088  -5.854
  590    HB3  TYR 202           HB1      TYR 202   2.516  14.698  -5.148
  591    HD1  TYR 202           HD1      TYR 202   5.226  12.446  -6.435
  592    HD2  TYR 202           HD2      TYR 202   3.431  16.302  -6.507
  593    HE1  TYR 202           HE1      TYR 202   6.925  13.200  -8.043
  594    HE2  TYR 202           HE2      TYR 202   5.127  17.070  -8.113
  595    HH   TYR 202           HH       TYR 202   7.378  16.499  -8.839
  596    H    SER 203           H        SER 203   1.851  11.729  -3.425
  597    HA   SER 203           HA       SER 203   0.259  13.415  -1.852
  598    HB2  SER 203           HB2      SER 203   0.460  10.409  -2.021
  599    HB3  SER 203           HB1      SER 203  -0.742  11.232  -1.030
  600    HG   SER 203           HG       SER 203  -0.482  11.151  -3.832
  601    H    VAL 204           H        VAL 204   2.385  10.747  -0.795
  602    HA   VAL 204           HA       VAL 204   1.974  11.224   1.941
  603    HB   VAL 204           HB       VAL 204   4.257   9.796   0.568
  604   HG11  VAL 204          1HG1      VAL 204   3.422   9.757   3.464
  605   HG12  VAL 204          2HG1      VAL 204   4.905  10.454   2.815
  606   HG13  VAL 204          3HG1      VAL 204   4.641   8.713   2.732
  607   HG21  VAL 204          3HG2      VAL 204   1.740   8.739   1.856
  608   HG22  VAL 204          1HG2      VAL 204   3.023   7.768   1.134
  609   HG23  VAL 204          2HG2      VAL 204   2.047   8.835   0.123
  610    H    ARG 205           H        ARG 205   4.503  12.403  -0.265
  611    HA   ARG 205           HA       ARG 205   6.028  13.574   1.851
  612    HB2  ARG 205           HB2      ARG 205   6.136  14.000  -1.134
  613    HB3  ARG 205           HB1      ARG 205   7.244  14.760  -0.002
  614    HG2  ARG 205           HG2      ARG 205   7.556  12.217   0.755
  615    HG3  ARG 205           HG1      ARG 205   7.108  11.960  -0.933
  616    HD2  ARG 205           HD2      ARG 205   9.506  12.117  -0.775
  617    HD3  ARG 205           HD1      ARG 205   8.891  13.553  -1.597
  618    HE   ARG 205           HE       ARG 205   9.112  14.685   0.635
  619   HH11  ARG 205          1HH1      ARG 205  11.167  11.993  -0.295
  620   HH12  ARG 205          2HH1      ARG 205  12.387  12.356   0.897
  621   HH21  ARG 205          1HH2      ARG 205  10.740  15.178   2.175
  622   HH22  ARG 205          2HH2      ARG 205  12.159  14.177   2.275
  623    H    ASN 206           H        ASN 206   3.131  14.496   0.416
  624    HA   ASN 206           HA       ASN 206   3.560  17.313   1.176
  625    HB2  ASN 206           HB2      ASN 206   1.679  16.032  -0.793
  626    HB3  ASN 206           HB1      ASN 206   1.335  17.623  -0.128
  627   HD21  ASN 206          1HD2      ASN 206   4.605  16.550  -0.719
  628   HD22  ASN 206          2HD2      ASN 206   4.908  17.595  -2.061
  629    H    ASP 207           H        ASP 207   0.683  15.237   0.964
  630    HA   ASP 207           HA       ASP 207   0.327  15.394   3.847
  631    HB2  ASP 207           HB2      ASP 207  -0.966  17.316   2.877
  632    HB3  ASP 207           HB1      ASP 207  -1.918  16.145   1.969
  633    H    LYS 208           H        LYS 208  -0.055  13.442   4.517
  634    HA   LYS 208           HA       LYS 208  -0.090  11.336   2.613
  635    HB2  LYS 208           HB2      LYS 208  -0.281  11.233   5.626
  636    HB3  LYS 208           HB1      LYS 208   0.109   9.877   4.571
  637    HG2  LYS 208           HG2      LYS 208   2.174  10.810   3.957
  638    HG3  LYS 208           HG1      LYS 208   1.740  12.393   4.594
  639    HD2  LYS 208           HD2      LYS 208   1.740  11.419   6.874
  640    HD3  LYS 208           HD1      LYS 208   2.307   9.895   6.184
  641    HE2  LYS 208           HE2      LYS 208   4.313  10.974   5.364
  642    HE3  LYS 208           HE1      LYS 208   3.734  12.541   5.924
  643    HZ1  LYS 208           HZ1      LYS 208   3.849  11.743   8.197
  644    HZ2  LYS 208           HZ2      LYS 208   5.360  11.584   7.440
  645    HZ3  LYS 208           HZ3      LYS 208   4.373  10.221   7.666
  646    H    ASN 209           H        ASN 209  -2.353  12.199   5.228
  647    HA   ASN 209           HA       ASN 209  -4.704  11.644   3.821
  648    HB2  ASN 209           HB2      ASN 209  -3.647   9.283   3.969
  649    HB3  ASN 209           HB1      ASN 209  -4.052   9.363   5.678
  650   HD21  ASN 209          1HD2      ASN 209  -5.296   9.171   2.447
  651   HD22  ASN 209          2HD2      ASN 209  -6.905   8.714   2.883
  652    H    LYS 210           H        LYS 210  -6.020  12.935   4.901
  653    HA   LYS 210           HA       LYS 210  -5.650  13.889   7.470
  654    HB2  LYS 210           HB2      LYS 210  -8.224  14.357   7.330
  655    HB3  LYS 210           HB1      LYS 210  -7.095  15.224   6.308
  656    HG2  LYS 210           HG2      LYS 210  -9.076  14.571   5.079
  657    HG3  LYS 210           HG1      LYS 210  -7.655  13.767   4.431
  658    HD2  LYS 210           HD2      LYS 210  -8.256  11.710   5.517
  659    HD3  LYS 210           HD1      LYS 210  -9.583  12.504   6.371
  660    HE2  LYS 210           HE2      LYS 210  -9.346  12.030   3.406
  661    HE3  LYS 210           HE1      LYS 210 -10.485  11.270   4.516
  662    HZ1  LYS 210           HZ1      LYS 210 -11.289  13.637   4.956
  663    HZ2  LYS 210           HZ2      LYS 210 -11.708  12.934   3.476
  664    HZ3  LYS 210           HZ3      LYS 210 -10.447  14.067   3.545
  665    H    SER 211           H        SER 211  -6.580  13.468   9.474
  666    HA   SER 211           HA       SER 211  -7.846  10.838   9.768
  667    HB2  SER 211           HB2      SER 211  -5.476  11.745  11.418
  668    HB3  SER 211           HB1      SER 211  -6.299  10.187  11.517
  669    HG   SER 211           HG       SER 211  -5.395  10.845   8.996
  670    H    ASP 212           H        ASP 212  -9.726  11.287  10.719
  671    HA   ASP 212           HA       ASP 212  -9.769  13.213  12.943
  672    HB2  ASP 212           HB2      ASP 212 -11.381  13.750  11.199
  673    HB3  ASP 212           HB1      ASP 212 -12.038  12.116  11.260
  674    H    LEU 213           H        LEU 213  -9.834  12.424  14.917
  675    HA   LEU 213           HA       LEU 213  -9.951  10.989  16.669
  676    HB2  LEU 213           HB2      LEU 213 -12.372  11.011  16.056
  677    HB3  LEU 213           HB1      LEU 213 -12.098   9.594  15.060
  678    HG   LEU 213           HG       LEU 213 -11.463   8.311  17.065
  679   HD11  LEU 213          1HD1      LEU 213 -12.236  10.802  18.579
  680   HD12  LEU 213          2HD1      LEU 213 -10.598  10.175  18.401
  681   HD13  LEU 213          3HD1      LEU 213 -11.808   9.244  19.284
  682   HD21  LEU 213          3HD2      LEU 213 -14.124   9.708  17.328
  683   HD22  LEU 213          1HD2      LEU 213 -13.686   8.153  18.034
  684   HD23  LEU 213          2HD2      LEU 213 -13.787   8.327  16.283
  685    H    LYS 214           H        LYS 214  -7.797  10.464  15.690
  686    HA   LYS 214           HA       LYS 214  -7.715   7.883  14.320
  687    HB2  LYS 214           HB2      LYS 214  -5.382   8.483  13.721
  688    HB3  LYS 214           HB1      LYS 214  -6.574   9.623  13.125
  689    HG2  LYS 214           HG2      LYS 214  -5.034  10.113  15.657
  690    HG3  LYS 214           HG1      LYS 214  -4.409  10.564  14.073
  691    HD2  LYS 214           HD2      LYS 214  -6.288  12.029  13.698
  692    HD3  LYS 214           HD1      LYS 214  -7.055  11.490  15.191
  693    HE2  LYS 214           HE2      LYS 214  -5.107  12.400  16.444
  694    HE3  LYS 214           HE1      LYS 214  -4.490  13.055  14.927
  695    HZ1  LYS 214           HZ1      LYS 214  -7.139  13.724  16.093
  696    HZ2  LYS 214           HZ2      LYS 214  -6.433  14.425  14.722
  697    HZ3  LYS 214           HZ3      LYS 214  -5.750  14.685  16.252
  698    H    ALA 215           H        ALA 215  -6.130   9.538  17.055
  699    HA   ALA 215           HA       ALA 215  -5.818   7.177  18.565
  700    HB1  ALA 215           HB1      ALA 215  -4.181   6.627  16.810
  701    HB2  ALA 215           HB2      ALA 215  -3.424   6.816  18.392
  702    HB3  ALA 215           HB3      ALA 215  -3.293   8.104  17.193
  703    H    ASP 216           H        ASP 216  -4.118  10.211  17.811
  704    HA   ASP 216           HA       ASP 216  -3.590  12.030  19.065
  705    HB2  ASP 216           HB2      ASP 216  -5.506  10.820  21.070
  706    HB3  ASP 216           HB1      ASP 216  -4.773  12.413  21.228
  707    H    SER 217           H        SER 217  -2.130   9.520  19.160
  708    HA   SER 217           HA       SER 217  -0.785   9.855  21.749
  709    HB2  SER 217           HB2      SER 217  -1.262   7.209  20.360
  710    HB3  SER 217           HB1      SER 217  -0.496   7.454  21.929
  711    HG   SER 217           HG       SER 217  -3.040   8.529  21.600
  712    H    GLY 218           H        GLY 218   1.473   9.422  21.737
  713    HA2  GLY 218           HA2      GLY 218   3.496   8.811  20.619
  714    HA3  GLY 218           HA1      GLY 218   2.687   9.079  19.079
  715    H    VAL 219           H        VAL 219   4.002  10.589  18.182
  716    HA   VAL 219           HA       VAL 219   4.432  13.056  19.741
  717    HB   VAL 219           HB       VAL 219   6.336  13.531  18.241
  718   HG11  VAL 219          1HG1      VAL 219   6.467  10.857  19.631
  719   HG12  VAL 219          2HG1      VAL 219   6.752  12.435  20.367
  720   HG13  VAL 219          3HG1      VAL 219   7.859  11.821  19.139
  721   HG21  VAL 219          3HG2      VAL 219   5.804  10.769  17.146
  722   HG22  VAL 219          1HG2      VAL 219   7.208  11.770  16.776
  723   HG23  VAL 219          2HG2      VAL 219   5.597  12.289  16.276
  724    H    HIS 220           H        HIS 220   2.626  11.764  17.273
  725    HA   HIS 220           HA       HIS 220   2.178  14.430  16.108
  726    HB2  HIS 220           HB2      HIS 220   3.402  12.933  14.529
  727    HB3  HIS 220           HB1      HIS 220   2.057  11.803  14.600
  728    HD1  HIS 220           HD1      HIS 220  -0.047  12.376  13.254
  729    HD2  HIS 220           HD2      HIS 220   2.914  15.290  13.055
  730    HE1  HIS 220           HE1      HIS 220  -0.747  13.933  11.401
  731    HE2  HIS 220           HE2      HIS 220   1.136  15.596  11.195
  732    H1   SER 454           HT1      SER 454  23.565  18.899 -16.041
  733    H2   SER 454           HT2      SER 454  24.810  18.131 -15.186
  734    H3   SER 454           HT3      SER 454  23.211  18.028 -14.631
  735    HA   SER 454           HA       SER 454  22.583  16.806 -16.604
  736    HB2  SER 454           HB2      SER 454  24.534  15.938 -18.010
  737    HB3  SER 454           HB1      SER 454  24.109  17.636 -18.221
  738    HG   SER 454           HG       SER 454  26.457  16.855 -17.797
  739    H    ASN 455           H        ASN 455  25.778  16.229 -15.094
  740    HA   ASN 455           HA       ASN 455  25.090  13.477 -14.527
  741    HB2  ASN 455           HB2      ASN 455  27.425  14.202 -15.103
  742    HB3  ASN 455           HB1      ASN 455  27.491  15.049 -13.560
  743   HD21  ASN 455          1HD2      ASN 455  29.107  13.837 -12.666
  744   HD22  ASN 455          2HD2      ASN 455  28.926  12.163 -12.262
  745    H    ALA 456           H        ALA 456  25.481  16.498 -12.765
  746    HA   ALA 456           HA       ALA 456  25.113  15.416 -10.169
  747    HB1  ALA 456           HB1      ALA 456  24.804  17.733  -9.462
  748    HB2  ALA 456           HB2      ALA 456  24.655  18.236 -11.145
  749    HB3  ALA 456           HB3      ALA 456  26.182  17.583 -10.550
  750    H    SER 457           H        SER 457  23.223  16.137  -8.756
  751    HA   SER 457           HA       SER 457  20.736  15.650 -10.264
  752    HB2  SER 457           HB2      SER 457  21.363  13.765  -8.812
  753    HB3  SER 457           HB1      SER 457  21.418  14.848  -7.422
  754    HG   SER 457           HG       SER 457  19.372  13.506  -8.131
  755    H    LYS 458           H        LYS 458  18.986  16.930  -9.881
  756    HA   LYS 458           HA       LYS 458  19.431  19.441  -8.567
  757    HB2  LYS 458           HB2      LYS 458  18.037  19.311 -10.569
  758    HB3  LYS 458           HB1      LYS 458  16.915  18.238  -9.743
  759    HG2  LYS 458           HG2      LYS 458  16.302  20.001  -8.209
  760    HG3  LYS 458           HG1      LYS 458  17.491  21.081  -8.937
  761    HD2  LYS 458           HD2      LYS 458  16.284  21.052 -11.036
  762    HD3  LYS 458           HD1      LYS 458  15.140  19.874 -10.391
  763    HE2  LYS 458           HE2      LYS 458  14.318  21.466  -8.789
  764    HE3  LYS 458           HE1      LYS 458  15.560  22.631  -9.246
  765    HZ1  LYS 458           HZ1      LYS 458  14.565  22.835 -11.409
  766    HZ2  LYS 458           HZ2      LYS 458  13.385  23.124 -10.226
  767    HZ3  LYS 458           HZ3      LYS 458  13.415  21.639 -11.050
  768    H    HIS 459           H        HIS 459  17.506  16.545  -7.897
  769    HA   HIS 459           HA       HIS 459  16.614  17.614  -5.348
  770    HB2  HIS 459           HB2      HIS 459  16.140  15.001  -6.775
  771    HB3  HIS 459           HB1      HIS 459  15.608  15.266  -5.118
  772    HD1  HIS 459           HD1      HIS 459  13.188  15.718  -5.133
  773    HD2  HIS 459           HD2      HIS 459  15.105  17.500  -8.367
  774    HE1  HIS 459           HE1      HIS 459  11.407  17.004  -6.358
  775    HE2  HIS 459           HE2      HIS 459  12.627  18.225  -8.200
  776    H    GLY 460           H        GLY 460  19.038  15.422  -6.570
  777    HA2  GLY 460           HA2      GLY 460  21.061  14.980  -5.470
  778    HA3  GLY 460           HA1      GLY 460  20.340  15.519  -3.961
  779    H    VAL 461           H        VAL 461  18.147  13.947  -3.720
  780    HA   VAL 461           HA       VAL 461  19.323  11.252  -3.567
  781    HB   VAL 461           HB       VAL 461  17.969  10.889  -1.528
  782   HG11  VAL 461          1HG1      VAL 461  19.332  12.262  -0.027
  783   HG12  VAL 461          2HG1      VAL 461  19.819  13.265  -1.393
  784   HG13  VAL 461          3HG1      VAL 461  20.297  11.569  -1.331
  785   HG21  VAL 461          3HG2      VAL 461  16.199  12.510  -1.955
  786   HG22  VAL 461          1HG2      VAL 461  17.351  13.832  -1.770
  787   HG23  VAL 461          2HG2      VAL 461  16.953  12.809  -0.388
  788    H    GLY 462           H        GLY 462  17.785   9.481  -3.536
  789    HA2  GLY 462           HA2      GLY 462  15.078   9.995  -4.450
  790    HA3  GLY 462           HA1      GLY 462  16.125   9.226  -5.635
  791    H    THR 463           H        THR 463  15.677   8.846  -2.121
  792    HA   THR 463           HA       THR 463  16.156   6.046  -2.278
  793    HB   THR 463           HB       THR 463  16.769   7.206  -0.255
  794    HG1  THR 463           HG1      THR 463  14.868   5.161  -0.183
  795   HG21  THR 463          3HG2      THR 463  15.054   8.958  -0.283
  796   HG22  THR 463          1HG2      THR 463  15.107   8.140   1.279
  797   HG23  THR 463          2HG2      THR 463  13.824   7.764   0.130
  798    H    GLU 464           H        GLU 464  13.321   8.017  -2.498
  799    HA   GLU 464           HA       GLU 464  11.386   6.093  -1.803
  800    HB2  GLU 464           HB2      GLU 464  11.118   8.331  -3.821
  801    HB3  GLU 464           HB1      GLU 464   9.798   7.487  -3.025
  802    HG2  GLU 464           HG2      GLU 464   9.857   9.310  -1.700
  803    HG3  GLU 464           HG1      GLU 464  11.078   8.357  -0.859
  804    H    SER 465           H        SER 465  12.613   7.061  -5.004
  805    HA   SER 465           HA       SER 465  11.305   5.076  -6.479
  806    HB2  SER 465           HB2      SER 465  13.976   6.366  -7.089
  807    HB3  SER 465           HB1      SER 465  12.896   5.589  -8.248
  808    HG   SER 465           HG       SER 465  12.785   7.967  -8.077
  809    H    LEU 466           H        LEU 466  14.325   5.053  -4.701
  810    HA   LEU 466           HA       LEU 466  15.363   2.602  -5.591
  811    HB2  LEU 466           HB2      LEU 466  16.620   4.243  -4.247
  812    HB3  LEU 466           HB1      LEU 466  15.600   3.888  -2.867
  813    HG   LEU 466           HG       LEU 466  16.456   1.548  -2.897
  814   HD11  LEU 466          1HD1      LEU 466  18.503   1.087  -4.177
  815   HD12  LEU 466          2HD1      LEU 466  18.332   2.646  -4.985
  816   HD13  LEU 466          3HD1      LEU 466  17.114   1.393  -5.222
  817   HD21  LEU 466          3HD2      LEU 466  17.399   3.208  -1.390
  818   HD22  LEU 466          1HD2      LEU 466  18.528   3.723  -2.642
  819   HD23  LEU 466          2HD2      LEU 466  18.648   2.101  -1.959
  820    H    PHE 467           H        PHE 467  13.373   3.333  -2.721
  821    HA   PHE 467           HA       PHE 467  12.870   0.784  -1.814
  822    HB2  PHE 467           HB2      PHE 467  12.119   2.641  -0.540
  823    HB3  PHE 467           HB1      PHE 467  11.138   3.249  -1.867
  824    HD1  PHE 467           HD2      PHE 467  11.438   0.368   0.466
  825    HD2  PHE 467           HD1      PHE 467   8.880   2.748  -1.962
  826    HE1  PHE 467           HE2      PHE 467   9.477  -0.798   1.391
  827    HE2  PHE 467           HE1      PHE 467   6.918   1.588  -1.044
  828    HZ   PHE 467           HZ       PHE 467   7.215  -0.189   0.635
  829    H    PHE 468           H        PHE 468  10.994   2.567  -4.273
  830    HA   PHE 468           HA       PHE 468   9.069   0.530  -4.596
  831    HB2  PHE 468           HB2      PHE 468   9.829   2.864  -6.342
  832    HB3  PHE 468           HB1      PHE 468   8.520   1.759  -6.749
  833    HD1  PHE 468           HD2      PHE 468   6.801   1.356  -4.784
  834    HD2  PHE 468           HD1      PHE 468   9.310   4.767  -5.166
  835    HE1  PHE 468           HE2      PHE 468   5.275   2.635  -3.342
  836    HE2  PHE 468           HE1      PHE 468   7.791   6.051  -3.723
  837    HZ   PHE 468           HZ       PHE 468   5.770   4.986  -2.807
  838    H    ASP 469           H        ASP 469  12.126   1.147  -6.257
  839    HA   ASP 469           HA       ASP 469  11.774  -0.807  -8.272
  840    HB2  ASP 469           HB2      ASP 469  13.532   0.858  -8.476
  841    HB3  ASP 469           HB1      ASP 469  14.317   0.253  -7.021
  842    H    LYS 470           H        LYS 470  13.050  -0.940  -4.986
  843    HA   LYS 470           HA       LYS 470  13.821  -3.653  -5.010
  844    HB2  LYS 470           HB2      LYS 470  12.879  -1.921  -2.718
  845    HB3  LYS 470           HB1      LYS 470  13.561  -3.528  -2.525
  846    HG2  LYS 470           HG2      LYS 470  15.649  -2.715  -3.584
  847    HG3  LYS 470           HG1      LYS 470  14.955  -1.090  -3.608
  848    HD2  LYS 470           HD2      LYS 470  14.712  -1.174  -1.164
  849    HD3  LYS 470           HD1      LYS 470  15.433  -2.783  -1.154
  850    HE2  LYS 470           HE2      LYS 470  17.478  -1.798  -2.181
  851    HE3  LYS 470           HE1      LYS 470  16.748  -0.204  -1.991
  852    HZ1  LYS 470           HZ1      LYS 470  18.212  -0.628  -0.155
  853    HZ2  LYS 470           HZ2      LYS 470  17.447  -2.103   0.180
  854    HZ3  LYS 470           HZ3      LYS 470  16.614  -0.648   0.420
  855    H    VAL 471           H        VAL 471  10.784  -2.075  -4.040
  856    HA   VAL 471           HA       VAL 471   9.355  -4.378  -3.332
  857    HB   VAL 471           HB       VAL 471   8.278  -1.844  -4.591
  858   HG11  VAL 471          1HG1      VAL 471   6.153  -2.443  -3.535
  859   HG12  VAL 471          2HG1      VAL 471   6.860  -3.958  -2.973
  860   HG13  VAL 471          3HG1      VAL 471   6.661  -3.668  -4.700
  861   HG21  VAL 471          3HG2      VAL 471   7.826  -1.137  -2.293
  862   HG22  VAL 471          1HG2      VAL 471   9.549  -1.397  -2.566
  863   HG23  VAL 471          2HG2      VAL 471   8.603  -2.602  -1.692
  864    H    ARG 472           H        ARG 472   9.677  -2.734  -6.438
  865    HA   ARG 472           HA       ARG 472   7.958  -4.326  -7.955
  866    HB2  ARG 472           HB2      ARG 472   8.885  -2.169  -8.686
  867    HB3  ARG 472           HB1      ARG 472  10.477  -2.890  -8.818
  868    HG2  ARG 472           HG2      ARG 472   9.733  -4.284 -10.607
  869    HG3  ARG 472           HG1      ARG 472   8.073  -3.729 -10.412
  870    HD2  ARG 472           HD2      ARG 472   9.273  -2.649 -12.298
  871    HD3  ARG 472           HD1      ARG 472   8.670  -1.514 -11.092
  872    HE   ARG 472           HE       ARG 472  11.372  -2.265 -10.579
  873   HH11  ARG 472          1HH1      ARG 472   9.360  -0.214 -12.588
  874   HH12  ARG 472          2HH1      ARG 472  10.608   0.980 -12.832
  875   HH21  ARG 472          1HH2      ARG 472  13.013  -0.688 -10.884
  876   HH22  ARG 472          2HH2      ARG 472  12.674   0.717 -11.866
  877    H    LYS 473           H        LYS 473  11.363  -4.762  -7.126
  878    HA   LYS 473           HA       LYS 473  11.663  -7.085  -8.797
  879    HB2  LYS 473           HB2      LYS 473  13.575  -5.618  -8.270
  880    HB3  LYS 473           HB1      LYS 473  13.439  -6.061  -6.572
  881    HG2  LYS 473           HG2      LYS 473  13.805  -8.443  -7.272
  882    HG3  LYS 473           HG1      LYS 473  14.191  -7.832  -8.881
  883    HD2  LYS 473           HD2      LYS 473  16.014  -6.507  -7.940
  884    HD3  LYS 473           HD1      LYS 473  15.619  -7.104  -6.325
  885    HE2  LYS 473           HE2      LYS 473  16.547  -8.750  -8.677
  886    HE3  LYS 473           HE1      LYS 473  17.487  -8.350  -7.241
  887    HZ1  LYS 473           HZ1      LYS 473  16.597 -10.585  -7.101
  888    HZ2  LYS 473           HZ2      LYS 473  15.017 -10.004  -7.296
  889    HZ3  LYS 473           HZ3      LYS 473  15.899  -9.605  -5.901
  890    H    ALA 474           H        ALA 474  11.128  -6.457  -5.375
  891    HA   ALA 474           HA       ALA 474  11.597  -9.092  -4.465
  892    HB1  ALA 474           HB1      ALA 474  11.710  -7.106  -3.024
  893    HB2  ALA 474           HB2      ALA 474  10.646  -8.351  -2.369
  894    HB3  ALA 474           HB3      ALA 474   9.960  -6.929  -3.155
  895    H    LEU 475           H        LEU 475   8.606  -7.371  -5.294
  896    HA   LEU 475           HA       LEU 475   6.877  -9.477  -4.511
  897    HB2  LEU 475           HB2      LEU 475   6.586  -6.968  -6.076
  898    HB3  LEU 475           HB1      LEU 475   5.332  -8.181  -6.251
  899    HG   LEU 475           HG       LEU 475   4.836  -8.084  -3.880
  900   HD11  LEU 475          1HD1      LEU 475   7.075  -6.075  -3.698
  901   HD12  LEU 475          2HD1      LEU 475   7.068  -7.697  -3.002
  902   HD13  LEU 475          3HD1      LEU 475   5.946  -6.472  -2.404
  903   HD21  LEU 475          3HD2      LEU 475   3.726  -6.474  -5.331
  904   HD22  LEU 475          1HD2      LEU 475   5.045  -5.330  -5.084
  905   HD23  LEU 475          2HD2      LEU 475   4.012  -5.789  -3.732
  906    H    ARG 476           H        ARG 476   8.584  -8.744  -7.453
  907    HA   ARG 476           HA       ARG 476   9.112  -9.994  -9.263
  908    HB2  ARG 476           HB2      ARG 476   9.498 -11.854  -7.770
  909    HB3  ARG 476           HB1      ARG 476   7.778 -12.220  -7.710
  910    HG2  ARG 476           HG2      ARG 476   7.800 -12.838 -10.055
  911    HG3  ARG 476           HG1      ARG 476   9.506 -12.401 -10.175
  912    HD2  ARG 476           HD2      ARG 476  10.080 -14.140  -8.577
  913    HD3  ARG 476           HD1      ARG 476   8.376 -14.551  -8.387
  914    HE   ARG 476           HE       ARG 476   8.477 -15.139 -10.849
  915   HH11  ARG 476          1HH1      ARG 476  11.284 -15.321  -8.769
  916   HH12  ARG 476          2HH1      ARG 476  12.038 -16.601  -9.668
  917   HH21  ARG 476          1HH2      ARG 476   9.452 -16.829 -12.039
  918   HH22  ARG 476          2HH2      ARG 476  11.009 -17.437 -11.554
  919    H    SER 477           H        SER 477   5.873 -11.015  -8.229
  920    HA   SER 477           HA       SER 477   4.951 -11.435 -10.878
  921    HB2  SER 477           HB2      SER 477   3.968 -12.664  -9.046
  922    HB3  SER 477           HB1      SER 477   3.478 -11.170  -8.249
  923    HG   SER 477           HG       SER 477   2.046 -12.576  -9.880
  924    H    ALA 478           H        ALA 478   3.909 -10.137 -12.251
  925    HA   ALA 478           HA       ALA 478   3.940  -7.327 -11.895
  926    HB1  ALA 478           HB1      ALA 478   2.458  -8.973 -13.946
  927    HB2  ALA 478           HB2      ALA 478   4.111  -8.378 -14.098
  928    HB3  ALA 478           HB3      ALA 478   2.767  -7.238 -14.035
  929    H    GLU 479           H        GLU 479   1.457  -9.801 -11.576
  930    HA   GLU 479           HA       GLU 479  -0.715  -8.035 -11.126
  931    HB2  GLU 479           HB2      GLU 479  -0.403 -10.860 -10.095
  932    HB3  GLU 479           HB1      GLU 479  -1.907  -9.971 -10.271
  933    HG2  GLU 479           HG2      GLU 479  -1.981 -11.293 -12.122
  934    HG3  GLU 479           HG1      GLU 479  -1.194  -9.863 -12.786
  935    H    ALA 480           H        ALA 480   1.612  -9.612  -8.995
  936    HA   ALA 480           HA       ALA 480   0.483  -8.803  -6.544
  937    HB1  ALA 480           HB1      ALA 480   3.384  -9.320  -7.201
  938    HB2  ALA 480           HB2      ALA 480   2.206 -10.533  -6.699
  939    HB3  ALA 480           HB3      ALA 480   2.684  -9.255  -5.581
  940    H    TYR 481           H        TYR 481   2.973  -7.320  -8.595
  941    HA   TYR 481           HA       TYR 481   3.328  -5.023  -6.983
  942    HB2  TYR 481           HB2      TYR 481   4.950  -5.791  -8.703
  943    HB3  TYR 481           HB1      TYR 481   3.808  -5.318  -9.958
  944    HD1  TYR 481           HD1      TYR 481   5.459  -3.829  -6.949
  945    HD2  TYR 481           HD2      TYR 481   4.141  -3.259 -10.956
  946    HE1  TYR 481           HE1      TYR 481   6.399  -1.558  -6.930
  947    HE2  TYR 481           HE2      TYR 481   5.081  -0.987 -10.948
  948    HH   TYR 481           HH       TYR 481   5.683   0.749  -9.313
  949    H    GLU 482           H        GLU 482   1.086  -5.865  -9.524
  950    HA   GLU 482           HA       GLU 482  -0.033  -3.307  -9.933
  951    HB2  GLU 482           HB2      GLU 482  -0.338  -5.381 -11.375
  952    HB3  GLU 482           HB1      GLU 482  -1.488  -5.943 -10.171
  953    HG2  GLU 482           HG2      GLU 482  -2.929  -4.077 -10.593
  954    HG3  GLU 482           HG1      GLU 482  -1.740  -3.352 -11.675
  955    H    ASN 483           H        ASN 483  -0.880  -5.982  -7.751
  956    HA   ASN 483           HA       ASN 483  -3.050  -4.857  -6.428
  957    HB2  ASN 483           HB2      ASN 483  -0.931  -6.813  -5.660
  958    HB3  ASN 483           HB1      ASN 483  -1.963  -6.169  -4.393
  959   HD21  ASN 483          1HD2      ASN 483  -2.827  -8.165  -4.001
  960   HD22  ASN 483          2HD2      ASN 483  -3.968  -8.921  -5.064
  961    H    PHE 484           H        PHE 484   0.401  -4.566  -5.707
  962    HA   PHE 484           HA       PHE 484   0.279  -2.894  -3.492
  963    HB2  PHE 484           HB2      PHE 484   2.347  -3.943  -4.211
  964    HB3  PHE 484           HB1      PHE 484   2.321  -3.047  -5.724
  965    HD1  PHE 484           HD2      PHE 484   2.621  -2.646  -2.051
  966    HD2  PHE 484           HD1      PHE 484   3.352  -0.966  -5.895
  967    HE1  PHE 484           HE2      PHE 484   3.983  -0.880  -1.016
  968    HE2  PHE 484           HE1      PHE 484   4.721   0.801  -4.863
  969    HZ   PHE 484           HZ       PHE 484   5.037   0.845  -2.422
  970    H    LEU 485           H        LEU 485   0.382  -2.063  -6.935
  971    HA   LEU 485           HA       LEU 485   0.348   0.736  -6.531
  972    HB2  LEU 485           HB2      LEU 485  -0.439  -0.899  -8.938
  973    HB3  LEU 485           HB1      LEU 485  -0.225   0.841  -8.937
  974    HG   LEU 485           HG       LEU 485   1.927  -1.203  -8.388
  975   HD11  LEU 485          1HD1      LEU 485   1.455   0.623 -10.734
  976   HD12  LEU 485          2HD1      LEU 485   1.285  -1.134 -10.721
  977   HD13  LEU 485          3HD1      LEU 485   2.872  -0.400 -10.494
  978   HD21  LEU 485          3HD2      LEU 485   2.073   1.805  -8.542
  979   HD22  LEU 485          1HD2      LEU 485   3.454   0.714  -8.401
  980   HD23  LEU 485          2HD2      LEU 485   2.279   0.825  -7.091
  981    H    ARG 486           H        ARG 486  -2.217  -1.667  -6.921
  982    HA   ARG 486           HA       ARG 486  -4.388   0.114  -7.099
  983    HB2  ARG 486           HB2      ARG 486  -4.058  -2.709  -6.310
  984    HB3  ARG 486           HB1      ARG 486  -5.460  -1.900  -5.627
  985    HG2  ARG 486           HG2      ARG 486  -6.178  -2.958  -7.608
  986    HG3  ARG 486           HG1      ARG 486  -6.077  -1.234  -7.971
  987    HD2  ARG 486           HD2      ARG 486  -4.457  -1.525  -9.483
  988    HD3  ARG 486           HD1      ARG 486  -3.605  -2.699  -8.480
  989    HE   ARG 486           HE       ARG 486  -5.314  -3.264 -10.655
  990   HH11  ARG 486          1HH1      ARG 486  -4.665  -4.418  -7.407
  991   HH12  ARG 486          2HH1      ARG 486  -4.897  -6.090  -7.814
  992   HH21  ARG 486          1HH2      ARG 486  -5.659  -5.454 -11.183
  993   HH22  ARG 486          2HH2      ARG 486  -5.532  -6.679  -9.955
  994    H    CYS 487           H        CYS 487  -2.672  -1.219  -4.308
  995    HA   CYS 487           HA       CYS 487  -4.261  -0.028  -2.329
  996    HB2  CYS 487           HB2      CYS 487  -1.302  -0.639  -2.198
  997    HB3  CYS 487           HB1      CYS 487  -2.391  -0.438  -0.830
  998    HG   CYS 487           HG       CYS 487  -2.509  -2.987  -3.112
  999    H    LEU 488           H        LEU 488  -1.564   1.180  -4.239
 1000    HA   LEU 488           HA       LEU 488  -1.169   3.561  -2.759
 1001    HB2  LEU 488           HB2      LEU 488  -0.531   2.977  -5.646
 1002    HB3  LEU 488           HB1      LEU 488   0.056   4.348  -4.736
 1003    HG   LEU 488           HG       LEU 488   0.775   1.453  -4.353
 1004   HD11  LEU 488          1HD1      LEU 488   3.045   2.282  -4.781
 1005   HD12  LEU 488          2HD1      LEU 488   2.400   3.907  -5.022
 1006   HD13  LEU 488          3HD1      LEU 488   1.960   2.607  -6.135
 1007   HD21  LEU 488          3HD2      LEU 488   1.476   3.811  -2.610
 1008   HD22  LEU 488          1HD2      LEU 488   2.194   2.203  -2.491
 1009   HD23  LEU 488          2HD2      LEU 488   0.477   2.429  -2.154
 1010    H    VAL 489           H        VAL 489  -3.051   2.877  -5.719
 1011    HA   VAL 489           HA       VAL 489  -3.809   5.572  -6.113
 1012    HB   VAL 489           HB       VAL 489  -5.639   4.673  -7.570
 1013   HG11  VAL 489          1HG1      VAL 489  -3.457   5.237  -8.474
 1014   HG12  VAL 489          2HG1      VAL 489  -4.119   3.821  -9.293
 1015   HG13  VAL 489          3HG1      VAL 489  -2.859   3.627  -8.074
 1016   HG21  VAL 489          3HG2      VAL 489  -6.106   2.578  -6.496
 1017   HG22  VAL 489          1HG2      VAL 489  -4.453   2.021  -6.770
 1018   HG23  VAL 489          2HG2      VAL 489  -5.543   2.264  -8.139
 1019    H    ILE 490           H        ILE 490  -5.425   2.909  -4.397
 1020    HA   ILE 490           HA       ILE 490  -7.742   4.456  -3.831
 1021    HB   ILE 490           HB       ILE 490  -8.318   2.761  -2.152
 1022   HG12  ILE 490          2HG1      ILE 490  -5.624   1.582  -2.851
 1023   HG13  ILE 490          1HG1      ILE 490  -6.136   2.188  -1.279
 1024   HG21  ILE 490          1HG2      ILE 490  -8.517   0.874  -3.713
 1025   HG22  ILE 490          2HG2      ILE 490  -7.379   1.672  -4.797
 1026   HG23  ILE 490          3HG2      ILE 490  -8.942   2.415  -4.454
 1027   HD11  ILE 490          3HD1      ILE 490  -7.177  -0.243  -2.715
 1028   HD12  ILE 490          1HD1      ILE 490  -7.857   0.400  -1.214
 1029   HD13  ILE 490          2HD1      ILE 490  -6.196  -0.200  -1.249
 1030    H    PHE 491           H        PHE 491  -4.672   3.998  -2.155
 1031    HA   PHE 491           HA       PHE 491  -5.349   5.455   0.173
 1032    HB2  PHE 491           HB2      PHE 491  -3.321   4.104   0.073
 1033    HB3  PHE 491           HB1      PHE 491  -2.684   5.104  -1.225
 1034    HD1  PHE 491           HD1      PHE 491  -3.544   5.054   2.366
 1035    HD2  PHE 491           HD2      PHE 491  -1.544   7.121  -0.772
 1036    HE1  PHE 491           HE1      PHE 491  -2.440   6.502   4.023
 1037    HE2  PHE 491           HE2      PHE 491  -0.437   8.567   0.879
 1038    HZ   PHE 491           HZ       PHE 491  -0.884   8.260   3.278
 1039    H    ASN 492           H        ASN 492  -4.029   6.384  -2.953
 1040    HA   ASN 492           HA       ASN 492  -3.633   9.116  -2.498
 1041    HB2  ASN 492           HB2      ASN 492  -2.761   7.903  -4.463
 1042    HB3  ASN 492           HB1      ASN 492  -4.398   7.723  -5.079
 1043   HD21  ASN 492          1HD2      ASN 492  -5.434   9.501  -5.987
 1044   HD22  ASN 492          2HD2      ASN 492  -4.587  10.950  -6.405
 1045    H    GLN 493           H        GLN 493  -6.502   7.323  -3.475
 1046    HA   GLN 493           HA       GLN 493  -8.063   9.740  -3.835
 1047    HB2  GLN 493           HB2      GLN 493  -8.838   6.822  -3.976
 1048    HB3  GLN 493           HB1      GLN 493  -9.911   8.164  -4.352
 1049    HG2  GLN 493           HG2      GLN 493  -8.471   8.827  -6.191
 1050    HG3  GLN 493           HG1      GLN 493  -7.348   7.527  -5.796
 1051   HE21  GLN 493          1HE2      GLN 493  -7.557   6.578  -7.795
 1052   HE22  GLN 493          2HE2      GLN 493  -8.986   5.717  -8.267
 1053    H    GLU 494           H        GLU 494  -6.950   8.629  -1.155
 1054    HA   GLU 494           HA       GLU 494  -7.534   8.738   1.034
 1055    HB2  GLU 494           HB2      GLU 494  -9.943  10.246   0.009
 1056    HB3  GLU 494           HB1      GLU 494  -9.375  10.220   1.673
 1057    HG2  GLU 494           HG2      GLU 494  -7.273  11.270   0.941
 1058    HG3  GLU 494           HG1      GLU 494  -7.920  11.361  -0.698
 1059    H    VAL 495           H        VAL 495  -8.540   6.526  -0.676
 1060    HA   VAL 495           HA       VAL 495 -11.074   5.740   0.433
 1061    HB   VAL 495           HB       VAL 495  -9.009   4.234  -1.183
 1062   HG11  VAL 495          1HG1      VAL 495 -11.735   3.297  -0.300
 1063   HG12  VAL 495          2HG1      VAL 495 -10.186   2.661   0.253
 1064   HG13  VAL 495          3HG1      VAL 495 -10.669   2.459  -1.431
 1065   HG21  VAL 495          3HG2      VAL 495 -10.175   5.962  -2.418
 1066   HG22  VAL 495          1HG2      VAL 495 -11.731   5.326  -1.887
 1067   HG23  VAL 495          2HG2      VAL 495 -10.708   4.371  -2.957
 1068    H    ILE 496           H        ILE 496  -7.695   4.749   0.859
 1069    HA   ILE 496           HA       ILE 496  -8.475   3.457   3.387
 1070    HB   ILE 496           HB       ILE 496  -6.509   2.041   3.197
 1071   HG12  ILE 496          2HG1      ILE 496  -6.025   3.374   0.524
 1072   HG13  ILE 496          1HG1      ILE 496  -5.072   3.655   1.977
 1073   HG21  ILE 496          1HG2      ILE 496  -7.176   0.685   1.265
 1074   HG22  ILE 496          2HG2      ILE 496  -8.155   2.026   0.673
 1075   HG23  ILE 496          3HG2      ILE 496  -8.569   1.236   2.195
 1076   HD11  ILE 496          3HD1      ILE 496  -5.345   1.028   0.543
 1077   HD12  ILE 496          1HD1      ILE 496  -4.361   1.334   1.975
 1078   HD13  ILE 496          2HD1      ILE 496  -3.967   2.124   0.446
 1079    H    SER 497           H        SER 497  -6.991   3.698   5.180
 1080    HA   SER 497           HA       SER 497  -5.631   6.281   5.105
 1081    HB2  SER 497           HB2      SER 497  -5.611   6.100   7.567
 1082    HB3  SER 497           HB1      SER 497  -7.243   5.920   6.925
 1083    HG   SER 497           HG       SER 497  -7.228   4.154   8.076
 1084    H    ARG 498           H        ARG 498  -3.697   6.067   6.959
 1085    HA   ARG 498           HA       ARG 498  -1.553   4.893   5.646
 1086    HB2  ARG 498           HB2      ARG 498  -1.844   5.478   8.596
 1087    HB3  ARG 498           HB1      ARG 498  -0.326   5.132   7.786
 1088    HG2  ARG 498           HG2      ARG 498  -0.505   7.139   6.483
 1089    HG3  ARG 498           HG1      ARG 498  -2.111   7.469   7.143
 1090    HD2  ARG 498           HD2      ARG 498   0.511   7.428   8.634
 1091    HD3  ARG 498           HD1      ARG 498  -0.506   8.833   8.307
 1092    HE   ARG 498           HE       ARG 498  -0.972   6.751  10.308
 1093   HH11  ARG 498          1HH1      ARG 498  -2.114   9.648   8.690
 1094   HH12  ARG 498          2HH1      ARG 498  -3.392   9.934   9.837
 1095   HH21  ARG 498          1HH2      ARG 498  -2.638   7.148  11.836
 1096   HH22  ARG 498          2HH2      ARG 498  -3.658   8.537  11.636
 1097    H    ALA 499           H        ALA 499  -3.176   3.699   8.585
 1098    HA   ALA 499           HA       ALA 499  -1.615   1.401   8.889
 1099    HB1  ALA 499           HB1      ALA 499  -2.994   2.374  10.670
 1100    HB2  ALA 499           HB2      ALA 499  -3.305   0.652  10.459
 1101    HB3  ALA 499           HB3      ALA 499  -4.447   1.839   9.829
 1102    H    GLU 500           H        GLU 500  -4.695   1.858   7.198
 1103    HA   GLU 500           HA       GLU 500  -5.233  -0.819   6.597
 1104    HB2  GLU 500           HB2      GLU 500  -5.794   1.500   4.755
 1105    HB3  GLU 500           HB1      GLU 500  -6.687  -0.006   4.878
 1106    HG2  GLU 500           HG2      GLU 500  -6.595   2.219   6.900
 1107    HG3  GLU 500           HG1      GLU 500  -7.950   1.780   5.864
 1108    H    LEU 501           H        LEU 501  -3.335   1.613   4.911
 1109    HA   LEU 501           HA       LEU 501  -2.722   0.141   2.605
 1110    HB2  LEU 501           HB2      LEU 501  -2.478   2.554   2.752
 1111    HB3  LEU 501           HB1      LEU 501  -1.235   2.381   3.975
 1112    HG   LEU 501           HG       LEU 501   0.250   1.336   2.318
 1113   HD11  LEU 501          1HD1      LEU 501  -0.338   1.349  -0.041
 1114   HD12  LEU 501          2HD1      LEU 501  -1.946   1.955   0.350
 1115   HD13  LEU 501          3HD1      LEU 501  -1.460   0.344   0.878
 1116   HD21  LEU 501          3HD2      LEU 501   0.393   3.721   2.665
 1117   HD22  LEU 501          1HD2      LEU 501  -0.912   3.995   1.511
 1118   HD23  LEU 501          2HD2      LEU 501   0.635   3.354   0.956
 1119    H    VAL 502           H        VAL 502  -0.944   0.525   5.670
 1120    HA   VAL 502           HA       VAL 502   1.300  -0.993   4.823
 1121    HB   VAL 502           HB       VAL 502   0.955  -1.207   7.680
 1122   HG11  VAL 502          1HG1      VAL 502   2.888   0.380   5.989
 1123   HG12  VAL 502          2HG1      VAL 502   3.091  -1.297   6.510
 1124   HG13  VAL 502          3HG1      VAL 502   3.075   0.002   7.703
 1125   HG21  VAL 502          3HG2      VAL 502   0.988   1.150   8.265
 1126   HG22  VAL 502          1HG2      VAL 502  -0.517   0.719   7.454
 1127   HG23  VAL 502          2HG2      VAL 502   0.743   1.587   6.574
 1128    H    GLN 503           H        GLN 503  -1.759  -1.847   6.311
 1129    HA   GLN 503           HA       GLN 503  -0.982  -4.490   7.031
 1130    HB2  GLN 503           HB2      GLN 503  -3.648  -3.131   6.772
 1131    HB3  GLN 503           HB1      GLN 503  -3.528  -4.850   7.117
 1132    HG2  GLN 503           HG2      GLN 503  -2.173  -4.313   9.113
 1133    HG3  GLN 503           HG1      GLN 503  -2.420  -2.599   8.779
 1134   HE21  GLN 503          1HE2      GLN 503  -3.211  -4.230  11.094
 1135   HE22  GLN 503          2HE2      GLN 503  -4.931  -4.042  11.224
 1136    H    LEU 504           H        LEU 504  -2.562  -3.115   4.159
 1137    HA   LEU 504           HA       LEU 504  -3.303  -5.571   3.013
 1138    HB2  LEU 504           HB2      LEU 504  -2.742  -2.878   1.799
 1139    HB3  LEU 504           HB1      LEU 504  -3.383  -4.236   0.901
 1140    HG   LEU 504           HG       LEU 504  -4.716  -2.878   3.237
 1141   HD11  LEU 504          1HD1      LEU 504  -6.355  -2.162   1.574
 1142   HD12  LEU 504          2HD1      LEU 504  -5.395  -2.919   0.301
 1143   HD13  LEU 504          3HD1      LEU 504  -4.744  -1.548   1.199
 1144   HD21  LEU 504          3HD2      LEU 504  -5.616  -5.188   1.516
 1145   HD22  LEU 504          1HD2      LEU 504  -6.622  -4.344   2.693
 1146   HD23  LEU 504          2HD2      LEU 504  -5.212  -5.255   3.234
 1147    H    VAL 505           H        VAL 505  -0.363  -3.641   2.754
 1148    HA   VAL 505           HA       VAL 505   0.747  -5.443   0.781
 1149    HB   VAL 505           HB       VAL 505   2.771  -4.043   0.896
 1150   HG11  VAL 505          1HG1      VAL 505   1.762  -1.976   0.027
 1151   HG12  VAL 505          2HG1      VAL 505   0.192  -2.505   0.630
 1152   HG13  VAL 505          3HG1      VAL 505   1.006  -3.424  -0.638
 1153   HG21  VAL 505          3HG2      VAL 505   2.760  -1.985   2.247
 1154   HG22  VAL 505          1HG2      VAL 505   2.731  -3.438   3.247
 1155   HG23  VAL 505          2HG2      VAL 505   1.255  -2.506   3.003
 1156    H    SER 506           H        SER 506   0.167  -6.037   3.812
 1157    HA   SER 506           HA       SER 506   2.609  -6.665   5.037
 1158    HB2  SER 506           HB2      SER 506   0.519  -6.533   6.297
 1159    HB3  SER 506           HB1      SER 506  -0.104  -7.944   5.448
 1160    HG   SER 506           HG       SER 506   2.268  -7.980   7.020
 1161    HA   PRO 507           HA       PRO 507   2.136 -11.198   3.298
 1162    HB2  PRO 507           HB2      PRO 507   0.474 -10.746   0.892
 1163    HB3  PRO 507           HB1      PRO 507   0.415 -12.063   2.067
 1164    HG2  PRO 507           HG2      PRO 507  -1.482 -10.188   2.018
 1165    HG3  PRO 507           HG1      PRO 507  -0.891 -10.852   3.555
 1166    HD2  PRO 507           HD2      PRO 507  -0.213  -8.248   2.231
 1167    HD3  PRO 507           HD1      PRO 507  -0.543  -8.586   3.943
 1168    H    PHE 508           H        PHE 508   2.429  -8.273   1.547
 1169    HA   PHE 508           HA       PHE 508   4.058  -9.429  -0.569
 1170    HB2  PHE 508           HB2      PHE 508   3.228  -6.567  -0.032
 1171    HB3  PHE 508           HB1      PHE 508   4.149  -7.102  -1.432
 1172    HD1  PHE 508           HD2      PHE 508   0.862  -7.112   0.191
 1173    HD2  PHE 508           HD1      PHE 508   3.098  -8.280  -3.232
 1174    HE1  PHE 508           HE2      PHE 508  -1.232  -7.539  -1.023
 1175    HE2  PHE 508           HE1      PHE 508   1.012  -8.715  -4.453
 1176    HZ   PHE 508           HZ       PHE 508  -1.160  -8.343  -3.350
 1177    H    LEU 509           H        LEU 509   4.471  -6.709   1.712
 1178    HA   LEU 509           HA       LEU 509   7.355  -6.902   1.330
 1179    HB2  LEU 509           HB2      LEU 509   5.693  -4.832   2.764
 1180    HB3  LEU 509           HB1      LEU 509   7.422  -4.736   2.498
 1181    HG   LEU 509           HG       LEU 509   5.305  -4.716   0.344
 1182   HD11  LEU 509          1HD1      LEU 509   7.116  -2.528   1.353
 1183   HD12  LEU 509          2HD1      LEU 509   5.381  -2.651   1.649
 1184   HD13  LEU 509          3HD1      LEU 509   5.981  -2.402   0.009
 1185   HD21  LEU 509          3HD2      LEU 509   7.176  -4.217  -1.167
 1186   HD22  LEU 509          1HD2      LEU 509   7.330  -5.808  -0.422
 1187   HD23  LEU 509          2HD2      LEU 509   8.303  -4.461   0.167
 1188    H    GLY 510           H        GLY 510   5.119  -8.149   3.434
 1189    HA2  GLY 510           HA2      GLY 510   6.398  -7.801   5.937
 1190    HA3  GLY 510           HA1      GLY 510   5.229  -9.053   5.542
 1191    H    LYS 511           H        LYS 511   7.139  -9.770   3.245
 1192    HA   LYS 511           HA       LYS 511   8.598 -11.804   4.621
 1193    HB2  LYS 511           HB2      LYS 511   9.094 -10.877   1.794
 1194    HB3  LYS 511           HB1      LYS 511   9.392 -12.468   2.477
 1195    HG2  LYS 511           HG2      LYS 511   6.999 -12.856   2.655
 1196    HG3  LYS 511           HG1      LYS 511   6.681 -11.243   2.009
 1197    HD2  LYS 511           HD2      LYS 511   7.965 -11.914  -0.039
 1198    HD3  LYS 511           HD1      LYS 511   8.003 -13.557   0.602
 1199    HE2  LYS 511           HE2      LYS 511   5.543 -11.953  -0.064
 1200    HE3  LYS 511           HE1      LYS 511   6.191 -13.304  -0.993
 1201    HZ1  LYS 511           HZ1      LYS 511   4.420 -14.131   0.317
 1202    HZ2  LYS 511           HZ2      LYS 511   4.999 -13.382   1.723
 1203    HZ3  LYS 511           HZ3      LYS 511   5.847 -14.686   1.052
 1204    H    PHE 512           H        PHE 512   9.146  -8.543   3.804
 1205    HA   PHE 512           HA       PHE 512  12.019  -8.800   4.404
 1206    HB2  PHE 512           HB2      PHE 512  10.816  -6.692   2.605
 1207    HB3  PHE 512           HB1      PHE 512  12.518  -7.092   2.811
 1208    HD1  PHE 512           HD1      PHE 512  13.391  -9.234   1.900
 1209    HD2  PHE 512           HD2      PHE 512   9.453  -7.854   1.052
 1210    HE1  PHE 512           HE1      PHE 512  13.261 -10.782  -0.002
 1211    HE2  PHE 512           HE2      PHE 512   9.316  -9.402  -0.856
 1212    HZ   PHE 512           HZ       PHE 512  11.223 -10.869  -1.384
 1213    HA   PRO 513           HA       PRO 513   9.908  -6.508   7.805
 1214    HB2  PRO 513           HB2      PRO 513  12.661  -6.903   8.891
 1215    HB3  PRO 513           HB1      PRO 513  11.096  -7.127   9.682
 1216    HG2  PRO 513           HG2      PRO 513  12.484  -9.232   8.857
 1217    HG3  PRO 513           HG1      PRO 513  10.722  -9.179   8.651
 1218    HD2  PRO 513           HD2      PRO 513  12.883  -8.778   6.627
 1219    HD3  PRO 513           HD1      PRO 513  11.301  -9.564   6.449
 1220    H    GLU 514           H        GLU 514  13.284  -5.878   6.802
 1221    HA   GLU 514           HA       GLU 514  13.335  -3.228   7.762
 1222    HB2  GLU 514           HB2      GLU 514  15.321  -4.682   7.154
 1223    HB3  GLU 514           HB1      GLU 514  14.990  -4.277   5.474
 1224    HG2  GLU 514           HG2      GLU 514  16.743  -2.868   6.428
 1225    HG3  GLU 514           HG1      GLU 514  15.333  -1.926   5.939
 1226    H    LEU 515           H        LEU 515  12.433  -4.588   4.643
 1227    HA   LEU 515           HA       LEU 515  12.248  -2.093   3.286
 1228    HB2  LEU 515           HB2      LEU 515  12.495  -4.408   2.258
 1229    HB3  LEU 515           HB1      LEU 515  10.791  -4.639   2.590
 1230    HG   LEU 515           HG       LEU 515  10.269  -2.696   1.147
 1231   HD11  LEU 515          1HD1      LEU 515  12.388  -1.504   1.402
 1232   HD12  LEU 515          2HD1      LEU 515  11.997  -1.774  -0.295
 1233   HD13  LEU 515          3HD1      LEU 515  13.213  -2.775   0.499
 1234   HD21  LEU 515          3HD2      LEU 515  11.911  -4.866  -0.158
 1235   HD22  LEU 515          1HD2      LEU 515  10.760  -3.812  -0.980
 1236   HD23  LEU 515          2HD2      LEU 515  10.195  -4.956   0.238
 1237    H    PHE 516           H        PHE 516   9.989  -4.178   5.002
 1238    HA   PHE 516           HA       PHE 516   7.647  -2.666   4.542
 1239    HB2  PHE 516           HB2      PHE 516   7.765  -5.028   5.424
 1240    HB3  PHE 516           HB1      PHE 516   8.282  -4.363   6.970
 1241    HD1  PHE 516           HD1      PHE 516   5.522  -4.207   4.493
 1242    HD2  PHE 516           HD2      PHE 516   6.707  -3.756   8.555
 1243    HE1  PHE 516           HE1      PHE 516   3.167  -3.938   5.146
 1244    HE2  PHE 516           HE2      PHE 516   4.353  -3.487   9.215
 1245    HZ   PHE 516           HZ       PHE 516   2.579  -3.573   7.508
 1246    H    ASN 517           H        ASN 517  10.208  -2.498   6.938
 1247    HA   ASN 517           HA       ASN 517   9.020  -0.482   8.553
 1248    HB2  ASN 517           HB2      ASN 517  11.849  -1.471   8.234
 1249    HB3  ASN 517           HB1      ASN 517  11.462  -0.118   9.292
 1250   HD21  ASN 517          1HD2      ASN 517  12.529  -2.757   9.934
 1251   HD22  ASN 517          2HD2      ASN 517  11.415  -3.474  11.055
 1252    H    TRP 518           H        TRP 518  11.093  -0.401   5.693
 1253    HA   TRP 518           HA       TRP 518  11.630   2.353   5.611
 1254    HB2  TRP 518           HB2      TRP 518  12.532   0.542   4.042
 1255    HB3  TRP 518           HB1      TRP 518  10.998   0.636   3.194
 1256    HD1  TRP 518           HD1      TRP 518  14.389   2.001   3.102
 1257    HE1  TRP 518           HE1      TRP 518  14.540   4.032   1.521
 1258    HE3  TRP 518           HE3      TRP 518   9.395   2.981   2.511
 1259    HZ2  TRP 518           HZ2      TRP 518  12.798   5.816   0.237
 1260    HZ3  TRP 518           HZ3      TRP 518   8.732   4.872   1.089
 1261    HH2  TRP 518           HH2      TRP 518  10.399   6.260  -0.025
 1262    H    PHE 519           H        PHE 519   8.943   0.460   4.294
 1263    HA   PHE 519           HA       PHE 519   7.429   2.509   3.201
 1264    HB2  PHE 519           HB2      PHE 519   7.097  -0.003   3.011
 1265    HB3  PHE 519           HB1      PHE 519   6.295   0.073   4.576
 1266    HD1  PHE 519           HD1      PHE 519   6.187   1.869   1.310
 1267    HD2  PHE 519           HD2      PHE 519   4.013   0.145   4.532
 1268    HE1  PHE 519           HE1      PHE 519   4.084   2.415   0.172
 1269    HE2  PHE 519           HE2      PHE 519   1.900   0.692   3.402
 1270    HZ   PHE 519           HZ       PHE 519   1.931   1.829   1.214
 1271    H    LYS 520           H        LYS 520   7.298   1.139   6.485
 1272    HA   LYS 520           HA       LYS 520   5.344   2.859   7.515
 1273    HB2  LYS 520           HB2      LYS 520   7.610   1.367   8.801
 1274    HB3  LYS 520           HB1      LYS 520   6.537   2.393   9.742
 1275    HG2  LYS 520           HG2      LYS 520   4.622   1.053   8.952
 1276    HG3  LYS 520           HG1      LYS 520   5.755  -0.018   8.122
 1277    HD2  LYS 520           HD2      LYS 520   6.772  -0.652  10.195
 1278    HD3  LYS 520           HD1      LYS 520   5.842   0.563  11.076
 1279    HE2  LYS 520           HE2      LYS 520   3.774  -0.620  10.453
 1280    HE3  LYS 520           HE1      LYS 520   4.742  -1.862   9.663
 1281    HZ1  LYS 520           HZ1      LYS 520   4.931  -1.155  12.543
 1282    HZ2  LYS 520           HZ2      LYS 520   5.732  -2.428  11.751
 1283    HZ3  LYS 520           HZ3      LYS 520   4.050  -2.467  11.928
 1284    H    ASN 521           H        ASN 521   8.841   3.204   7.294
 1285    HA   ASN 521           HA       ASN 521   9.113   5.570   8.778
 1286    HB2  ASN 521           HB2      ASN 521  11.034   4.189   8.199
 1287    HB3  ASN 521           HB1      ASN 521  10.780   4.499   6.486
 1288   HD21  ASN 521          1HD2      ASN 521  11.409   6.457   5.620
 1289   HD22  ASN 521          2HD2      ASN 521  12.404   7.582   6.474
 1290    H    PHE 522           H        PHE 522   8.082   4.994   5.496
 1291    HA   PHE 522           HA       PHE 522   8.461   7.701   4.607
 1292    HB2  PHE 522           HB2      PHE 522   8.467   5.651   3.128
 1293    HB3  PHE 522           HB1      PHE 522   6.728   5.555   3.367
 1294    HD1  PHE 522           HD1      PHE 522   8.929   8.498   2.740
 1295    HD2  PHE 522           HD2      PHE 522   5.765   6.026   1.331
 1296    HE1  PHE 522           HE1      PHE 522   8.597  10.017   0.834
 1297    HE2  PHE 522           HE2      PHE 522   5.424   7.544  -0.574
 1298    HZ   PHE 522           HZ       PHE 522   6.840   9.541  -0.828
 1299    H    LEU 523           H        LEU 523   5.791   5.753   5.808
 1300    HA   LEU 523           HA       LEU 523   3.862   7.869   5.485
 1301    HB2  LEU 523           HB2      LEU 523   3.790   5.124   6.687
 1302    HB3  LEU 523           HB1      LEU 523   2.472   6.246   6.960
 1303    HG   LEU 523           HG       LEU 523   2.074   6.376   4.535
 1304   HD11  LEU 523          1HD1      LEU 523   4.381   5.891   3.806
 1305   HD12  LEU 523          2HD1      LEU 523   3.174   4.890   3.001
 1306   HD13  LEU 523          3HD1      LEU 523   4.154   4.212   4.302
 1307   HD21  LEU 523          3HD2      LEU 523   1.169   4.147   4.257
 1308   HD22  LEU 523          1HD2      LEU 523   0.887   4.732   5.897
 1309   HD23  LEU 523          2HD2      LEU 523   2.169   3.559   5.588
 1310    H    GLY 524           H        GLY 524   6.041   6.807   7.944
 1311    HA2  GLY 524           HA2      GLY 524   6.659   8.173   9.781
 1312    HA3  GLY 524           HA1      GLY 524   5.111   9.000   9.655
 1313    H    TYR 525           H        TYR 525   5.436   5.531   9.594
 1314    HA   TYR 525           HA       TYR 525   3.690   5.340  11.908
 1315    HB2  TYR 525           HB2      TYR 525   3.694   3.919   9.653
 1316    HB3  TYR 525           HB1      TYR 525   4.826   2.927  10.563
 1317    HD1  TYR 525           HD2      TYR 525   3.681   3.054  13.287
 1318    HD2  TYR 525           HD1      TYR 525   1.766   2.665   9.510
 1319    HE1  TYR 525           HE2      TYR 525   1.776   1.943  14.373
 1320    HE2  TYR 525           HE1      TYR 525  -0.143   1.554  10.582
 1321    HH   TYR 525           HH       TYR 525  -0.596   1.527  13.963
 1322    H    LYS 526           H        LYS 526   4.946   5.891  13.655
 1323    HA   LYS 526           HA       LYS 526   7.501   4.555  14.043
 1324    HB2  LYS 526           HB2      LYS 526   7.105   7.069  14.313
 1325    HB3  LYS 526           HB1      LYS 526   6.234   6.668  15.785
 1326    HG2  LYS 526           HG2      LYS 526   8.526   7.350  16.229
 1327    HG3  LYS 526           HG1      LYS 526   8.226   5.687  16.730
 1328    HD2  LYS 526           HD2      LYS 526  10.381   5.848  15.623
 1329    HD3  LYS 526           HD1      LYS 526   9.268   4.889  14.651
 1330    HE2  LYS 526           HE2      LYS 526  10.470   6.352  13.187
 1331    HE3  LYS 526           HE1      LYS 526   8.804   6.920  13.288
 1332    HZ1  LYS 526           HZ1      LYS 526  10.444   8.723  13.407
 1333    HZ2  LYS 526           HZ2      LYS 526  11.081   8.054  14.832
 1334    HZ3  LYS 526           HZ3      LYS 526   9.489   8.641  14.805
 1335    H    GLU 527           H        GLU 527   4.925   3.152  14.269
 1336    HA   GLU 527           HA       GLU 527   3.899   1.583  15.544
 1337    HB2  GLU 527           HB2      GLU 527   6.427   1.799  17.191
 1338    HB3  GLU 527           HB1      GLU 527   5.229   0.522  17.346
 1339    HG2  GLU 527           HG2      GLU 527   6.859   1.101  14.884
 1340    HG3  GLU 527           HG1      GLU 527   7.175  -0.183  16.049
 1341    H    SER 528           H        SER 528   3.578   4.466  16.155
 1342    HA   SER 528           HA       SER 528   2.893   4.381  18.997
 1343    HB2  SER 528           HB2      SER 528   2.593   6.859  18.715
 1344    HB3  SER 528           HB1      SER 528   4.227   6.298  18.359
 1345    HG   SER 528           HG       SER 528   2.224   6.653  16.379
  Start of MODEL    3
    1    H1   SER 127           HT1      SER 127  25.530   1.482  13.731
    2    H2   SER 127           HT2      SER 127  25.168   2.744  12.661
    3    H3   SER 127           HT3      SER 127  25.065   1.134  12.139
    4    HA   SER 127           HA       SER 127  23.389   2.333  14.253
    5    HB2  SER 127           HB2      SER 127  21.573   2.115  12.494
    6    HB3  SER 127           HB1      SER 127  22.769   3.373  12.195
    7    HG   SER 127           HG       SER 127  22.143   1.848  10.404
    8    H    ASN 128           H        ASN 128  24.983  -0.318  13.707
    9    HA   ASN 128           HA       ASN 128  24.746  -2.522  14.172
   10    HB2  ASN 128           HB2      ASN 128  22.261  -1.459  15.504
   11    HB3  ASN 128           HB1      ASN 128  22.636  -3.179  15.501
   12   HD21  ASN 128          1HD2      ASN 128  22.814  -3.184  17.745
   13   HD22  ASN 128          2HD2      ASN 128  24.186  -2.514  18.551
   14    H    ALA 129           H        ALA 129  23.696  -1.333  11.681
   15    HA   ALA 129           HA       ALA 129  21.456  -3.034  10.967
   16    HB1  ALA 129           HB1      ALA 129  23.050  -1.111   9.271
   17    HB2  ALA 129           HB2      ALA 129  21.551  -0.735  10.121
   18    HB3  ALA 129           HB3      ALA 129  21.548  -1.909   8.805
   19    H    GLY 130           H        GLY 130  21.895  -5.107  10.627
   20    HA2  GLY 130           HA2      GLY 130  23.376  -6.063   8.491
   21    HA3  GLY 130           HA1      GLY 130  24.461  -6.079   9.876
   22    H    SER 131           H        SER 131  24.174  -8.458   8.998
   23    HA   SER 131           HA       SER 131  22.325  -9.761  10.842
   24    HB2  SER 131           HB2      SER 131  21.083  -9.557   8.713
   25    HB3  SER 131           HB1      SER 131  22.393 -10.386   7.875
   26    HG   SER 131           HG       SER 131  20.459 -11.652   8.614
   27    H    ASP 132           H        ASP 132  22.780 -12.088  11.041
   28    HA   ASP 132           HA       ASP 132  25.626 -12.662  10.627
   29    HB2  ASP 132           HB2      ASP 132  23.563 -13.957  12.427
   30    HB3  ASP 132           HB1      ASP 132  25.209 -14.552  12.237
   31    H    ASP 133           H        ASP 133  22.785 -13.084   9.127
   32    HA   ASP 133           HA       ASP 133  21.833 -14.547   7.697
   33    HB2  ASP 133           HB2      ASP 133  23.354 -15.239   5.822
   34    HB3  ASP 133           HB1      ASP 133  23.331 -13.523   6.184
   35    H    ASP 134           H        ASP 134  24.667 -16.504   7.285
   36    HA   ASP 134           HA       ASP 134  24.963 -18.743   7.427
   37    HB2  ASP 134           HB2      ASP 134  25.280 -18.177   9.805
   38    HB3  ASP 134           HB1      ASP 134  23.559 -18.412  10.087
   39    H    GLY 135           H        GLY 135  23.552 -19.058   5.654
   40    HA2  GLY 135           HA2      GLY 135  22.004 -20.679   4.854
   41    HA3  GLY 135           HA1      GLY 135  21.143 -20.571   6.385
   42    H    GLY 136           H        GLY 136  20.076 -18.475   6.846
   43    HA2  GLY 136           HA2      GLY 136  19.040 -16.474   6.121
   44    HA3  GLY 136           HA1      GLY 136  19.370 -16.935   4.455
   45    H    ASP 137           H        ASP 137  17.797 -18.687   7.112
   46    HA   ASP 137           HA       ASP 137  15.774 -19.685   5.347
   47    HB2  ASP 137           HB2      ASP 137  16.538 -21.027   7.245
   48    HB3  ASP 137           HB1      ASP 137  15.955 -19.802   8.369
   49    H    SER 138           H        SER 138  14.251 -18.406   4.582
   50    HA   SER 138           HA       SER 138  13.343 -16.097   6.067
   51    HB2  SER 138           HB2      SER 138  12.370 -17.143   3.396
   52    HB3  SER 138           HB1      SER 138  12.144 -15.519   4.050
   53    HG   SER 138           HG       SER 138  14.765 -16.219   4.004
   54    HA   PRO 139           HA       PRO 139   9.992 -18.181   8.137
   55    HB2  PRO 139           HB2      PRO 139   8.721 -15.494   7.882
   56    HB3  PRO 139           HB1      PRO 139   8.929 -16.510   9.314
   57    HG2  PRO 139           HG2      PRO 139  10.471 -14.375   8.943
   58    HG3  PRO 139           HG1      PRO 139  11.146 -15.877   9.602
   59    HD2  PRO 139           HD2      PRO 139  11.386 -14.740   6.851
   60    HD3  PRO 139           HD1      PRO 139  12.588 -15.619   7.818
   61    H    VAL 140           H        VAL 140   8.950 -15.732   5.755
   62    HA   VAL 140           HA       VAL 140   7.157 -17.773   4.608
   63    HB   VAL 140           HB       VAL 140   6.754 -14.777   4.485
   64   HG11  VAL 140          1HG1      VAL 140   5.813 -16.009   2.596
   65   HG12  VAL 140          2HG1      VAL 140   4.542 -15.346   3.623
   66   HG13  VAL 140          3HG1      VAL 140   4.940 -17.063   3.709
   67   HG21  VAL 140          3HG2      VAL 140   4.911 -15.125   6.076
   68   HG22  VAL 140          1HG2      VAL 140   6.469 -15.564   6.776
   69   HG23  VAL 140          2HG2      VAL 140   5.365 -16.823   6.225
   70    H    GLN 141           H        GLN 141   8.234 -18.565   2.936
   71    HA   GLN 141           HA       GLN 141   9.325 -16.680   0.957
   72    HB2  GLN 141           HB2      GLN 141  11.123 -18.337   0.506
   73    HB3  GLN 141           HB1      GLN 141  11.207 -17.652   2.124
   74    HG2  GLN 141           HG2      GLN 141  10.121 -19.669   3.015
   75    HG3  GLN 141           HG1      GLN 141  10.102 -20.357   1.393
   76   HE21  GLN 141          1HE2      GLN 141  11.378 -21.291   3.846
   77   HE22  GLN 141          2HE2      GLN 141  13.062 -21.464   3.468
   78    H    ASP 142           H        ASP 142   9.880 -18.146  -1.111
   79    HA   ASP 142           HA       ASP 142   9.067 -19.247  -2.917
   80    HB2  ASP 142           HB2      ASP 142   9.076 -21.263  -1.599
   81    HB3  ASP 142           HB1      ASP 142   7.564 -20.807  -0.818
   82    H    ILE 143           H        ILE 143   7.970 -17.808  -4.080
   83    HA   ILE 143           HA       ILE 143   5.090 -17.658  -3.744
   84    HB   ILE 143           HB       ILE 143   5.421 -15.057  -4.136
   85   HG12  ILE 143          2HG1      ILE 143   7.890 -15.909  -2.618
   86   HG13  ILE 143          1HG1      ILE 143   7.817 -15.016  -4.132
   87   HG21  ILE 143          1HG2      ILE 143   5.537 -16.375  -1.430
   88   HG22  ILE 143          2HG2      ILE 143   4.085 -16.037  -2.374
   89   HG23  ILE 143          3HG2      ILE 143   5.055 -14.707  -1.744
   90   HD11  ILE 143          3HD1      ILE 143   6.837 -13.114  -2.950
   91   HD12  ILE 143          1HD1      ILE 143   8.410 -13.565  -2.290
   92   HD13  ILE 143          2HD1      ILE 143   6.934 -14.017  -1.438
   93    H    ASP 144           H        ASP 144   4.062 -17.495  -5.609
   94    HA   ASP 144           HA       ASP 144   5.592 -16.714  -8.005
   95    HB2  ASP 144           HB2      ASP 144   4.722 -18.964  -8.223
   96    HB3  ASP 144           HB1      ASP 144   3.118 -18.439  -7.716
   97    H    THR 145           H        THR 145   2.458 -16.506  -6.404
   98    HA   THR 145           HA       THR 145   2.186 -13.729  -7.186
   99    HB   THR 145           HB       THR 145   0.018 -15.723  -7.904
  100    HG1  THR 145           HG1      THR 145   1.725 -15.888  -9.399
  101   HG21  THR 145          3HG2      THR 145   0.253 -12.752  -8.401
  102   HG22  THR 145          1HG2      THR 145  -0.858 -13.538  -7.281
  103   HG23  THR 145          2HG2      THR 145  -1.031 -13.793  -9.019
  104    HA   PRO 146           HA       PRO 146   0.572 -14.442  -2.954
  105    HB2  PRO 146           HB2      PRO 146   1.232 -11.968  -2.036
  106    HB3  PRO 146           HB1      PRO 146   2.357 -13.330  -2.044
  107    HG2  PRO 146           HG2      PRO 146   2.154 -11.023  -3.915
  108    HG3  PRO 146           HG1      PRO 146   3.595 -11.851  -3.303
  109    HD2  PRO 146           HD2      PRO 146   2.542 -12.261  -5.801
  110    HD3  PRO 146           HD1      PRO 146   3.501 -13.467  -4.923
  111    H    GLU 147           H        GLU 147  -1.221 -13.448  -1.844
  112    HA   GLU 147           HA       GLU 147  -2.815 -11.735  -3.618
  113    HB2  GLU 147           HB2      GLU 147  -4.806 -13.113  -3.058
  114    HB3  GLU 147           HB1      GLU 147  -3.590 -13.975  -3.988
  115    HG2  GLU 147           HG2      GLU 147  -2.761 -14.936  -1.825
  116    HG3  GLU 147           HG1      GLU 147  -4.185 -14.236  -1.054
  117    H    VAL 148           H        VAL 148  -3.949 -10.164  -2.697
  118    HA   VAL 148           HA       VAL 148  -3.669  -9.722   0.150
  119    HB   VAL 148           HB       VAL 148  -3.407  -7.831  -1.396
  120   HG11  VAL 148          1HG1      VAL 148  -6.323  -8.253  -2.019
  121   HG12  VAL 148          2HG1      VAL 148  -4.967  -8.495  -3.121
  122   HG13  VAL 148          3HG1      VAL 148  -5.350  -6.875  -2.538
  123   HG21  VAL 148          3HG2      VAL 148  -4.106  -7.386   0.885
  124   HG22  VAL 148          1HG2      VAL 148  -5.798  -7.578   0.424
  125   HG23  VAL 148          2HG2      VAL 148  -4.854  -6.236  -0.222
  126    H    ASP 149           H        ASP 149  -5.209  -9.984   1.657
  127    HA   ASP 149           HA       ASP 149  -7.587 -11.427   0.887
  128    HB2  ASP 149           HB2      ASP 149  -7.864 -11.791   3.316
  129    HB3  ASP 149           HB1      ASP 149  -6.259 -12.261   2.757
  130    H    LEU 150           H        LEU 150  -6.672  -8.364   1.947
  131    HA   LEU 150           HA       LEU 150  -7.734  -6.364   2.223
  132    HB2  LEU 150           HB2      LEU 150  -9.968  -7.827   0.825
  133    HB3  LEU 150           HB1      LEU 150  -9.995  -6.112   1.185
  134    HG   LEU 150           HG       LEU 150  -7.869  -7.390  -0.527
  135   HD11  LEU 150          1HD1      LEU 150  -9.116  -6.553  -2.456
  136   HD12  LEU 150          2HD1      LEU 150 -10.422  -6.034  -1.390
  137   HD13  LEU 150          3HD1      LEU 150 -10.052  -7.750  -1.561
  138   HD21  LEU 150          3HD2      LEU 150  -7.507  -5.093  -1.283
  139   HD22  LEU 150          1HD2      LEU 150  -7.292  -5.230   0.463
  140   HD23  LEU 150          2HD2      LEU 150  -8.774  -4.531  -0.192
  141    H    TYR 151           H        TYR 151  -8.201  -8.776   4.168
  142    HA   TYR 151           HA       TYR 151 -10.798  -8.071   5.267
  143    HB2  TYR 151           HB2      TYR 151  -9.608 -10.450   5.062
  144    HB3  TYR 151           HB1      TYR 151  -9.000 -10.000   6.651
  145    HD1  TYR 151           HD2      TYR 151 -10.554  -9.725   8.542
  146    HD2  TYR 151           HD1      TYR 151 -11.921 -10.982   4.716
  147    HE1  TYR 151           HE2      TYR 151 -12.661 -10.498   9.551
  148    HE2  TYR 151           HE1      TYR 151 -14.029 -11.753   5.712
  149    HH   TYR 151           HH       TYR 151 -14.803 -12.531   8.000
  150    H    GLN 152           H        GLN 152  -7.529  -7.228   5.762
  151    HA   GLN 152           HA       GLN 152  -7.772  -6.482   8.512
  152    HB2  GLN 152           HB2      GLN 152  -5.656  -5.133   8.018
  153    HB3  GLN 152           HB1      GLN 152  -5.561  -6.881   7.881
  154    HG2  GLN 152           HG2      GLN 152  -6.195  -5.347   5.425
  155    HG3  GLN 152           HG1      GLN 152  -4.552  -5.243   6.061
  156   HE21  GLN 152          1HE2      GLN 152  -5.526  -6.483   3.601
  157   HE22  GLN 152          2HE2      GLN 152  -5.041  -8.147   3.684
  158    H    LEU 153           H        LEU 153  -8.857  -5.099   5.630
  159    HA   LEU 153           HA       LEU 153  -8.635  -2.350   6.284
  160    HB2  LEU 153           HB2      LEU 153 -10.500  -3.820   4.424
  161    HB3  LEU 153           HB1      LEU 153 -10.460  -2.073   4.571
  162    HG   LEU 153           HG       LEU 153  -8.167  -3.807   3.647
  163   HD11  LEU 153          1HD1      LEU 153  -9.987  -3.675   2.018
  164   HD12  LEU 153          2HD1      LEU 153  -8.565  -2.787   1.470
  165   HD13  LEU 153          3HD1      LEU 153  -9.953  -1.914   2.121
  166   HD21  LEU 153          3HD2      LEU 153  -7.411  -1.825   4.846
  167   HD22  LEU 153          1HD2      LEU 153  -8.436  -0.809   3.833
  168   HD23  LEU 153          2HD2      LEU 153  -7.079  -1.681   3.120
  169    H    GLN 154           H        GLN 154  -9.998  -0.991   7.318
  170    HA   GLN 154           HA       GLN 154 -11.828  -2.104   9.203
  171    HB2  GLN 154           HB2      GLN 154 -11.604   0.792   8.367
  172    HB3  GLN 154           HB1      GLN 154 -12.264   0.173   9.872
  173    HG2  GLN 154           HG2      GLN 154  -9.386   0.077   8.999
  174    HG3  GLN 154           HG1      GLN 154 -10.080   1.114  10.243
  175   HE21  GLN 154          1HE2      GLN 154  -9.008  -2.075   9.435
  176   HE22  GLN 154          2HE2      GLN 154  -9.058  -2.718  11.039
  177    H    VAL 155           H        VAL 155 -14.134  -1.578   9.344
  178    HA   VAL 155           HA       VAL 155 -15.543  -2.313   7.052
  179    HB   VAL 155           HB       VAL 155 -16.607  -0.776   9.430
  180   HG11  VAL 155          1HG1      VAL 155 -18.118  -0.658   7.513
  181   HG12  VAL 155          2HG1      VAL 155 -18.795  -1.665   8.794
  182   HG13  VAL 155          3HG1      VAL 155 -18.080  -2.417   7.367
  183   HG21  VAL 155          3HG2      VAL 155 -16.471  -3.736   8.881
  184   HG22  VAL 155          1HG2      VAL 155 -17.313  -2.991  10.240
  185   HG23  VAL 155          2HG2      VAL 155 -15.561  -2.848  10.102
  186    H    ASN 156           H        ASN 156 -14.963   0.899   8.409
  187    HA   ASN 156           HA       ASN 156 -16.573   2.302   6.584
  188    HB2  ASN 156           HB2      ASN 156 -14.206   3.220   8.224
  189    HB3  ASN 156           HB1      ASN 156 -15.198   4.308   7.260
  190   HD21  ASN 156          1HD2      ASN 156 -14.748   4.318  10.099
  191   HD22  ASN 156          2HD2      ASN 156 -16.311   4.152  10.841
  192    H    THR 157           H        THR 157 -13.208   1.304   6.501
  193    HA   THR 157           HA       THR 157 -12.396   2.767   4.244
  194    HB   THR 157           HB       THR 157 -11.367   0.042   5.042
  195    HG1  THR 157           HG1      THR 157 -10.013   1.157   6.501
  196   HG21  THR 157          3HG2      THR 157 -10.507   0.939   2.932
  197   HG22  THR 157          1HG2      THR 157  -9.246   0.907   4.165
  198   HG23  THR 157          2HG2      THR 157 -10.035   2.428   3.751
  199    H    LEU 158           H        LEU 158 -13.675  -0.524   4.589
  200    HA   LEU 158           HA       LEU 158 -13.627  -1.234   1.866
  201    HB2  LEU 158           HB2      LEU 158 -15.441  -2.164   4.097
  202    HB3  LEU 158           HB1      LEU 158 -15.334  -2.930   2.524
  203    HG   LEU 158           HG       LEU 158 -12.964  -2.673   4.369
  204   HD11  LEU 158          1HD1      LEU 158 -14.883  -4.975   4.073
  205   HD12  LEU 158          2HD1      LEU 158 -14.703  -3.948   5.496
  206   HD13  LEU 158          3HD1      LEU 158 -13.378  -4.996   4.990
  207   HD21  LEU 158          3HD2      LEU 158 -13.522  -4.448   1.998
  208   HD22  LEU 158          1HD2      LEU 158 -12.063  -4.469   2.988
  209   HD23  LEU 158          2HD2      LEU 158 -12.447  -3.050   2.014
  210    H    ARG 159           H        ARG 159 -16.126   0.276   3.862
  211    HA   ARG 159           HA       ARG 159 -18.092   0.361   1.808
  212    HB2  ARG 159           HB2      ARG 159 -17.822   1.887   4.400
  213    HB3  ARG 159           HB1      ARG 159 -19.211   2.032   3.331
  214    HG2  ARG 159           HG2      ARG 159 -19.676  -0.346   3.608
  215    HG3  ARG 159           HG1      ARG 159 -18.274  -0.495   4.668
  216    HD2  ARG 159           HD2      ARG 159 -20.348  -0.331   5.946
  217    HD3  ARG 159           HD1      ARG 159 -19.293   1.048   6.251
  218    HE   ARG 159           HE       ARG 159 -20.760   2.422   5.009
  219   HH11  ARG 159          1HH1      ARG 159 -21.941  -0.863   5.390
  220   HH12  ARG 159          2HH1      ARG 159 -23.593  -0.442   5.035
  221   HH21  ARG 159          1HH2      ARG 159 -22.922   2.968   4.530
  222   HH22  ARG 159          2HH2      ARG 159 -24.151   1.739   4.520
  223    H    ARG 160           H        ARG 160 -15.452   2.442   2.732
  224    HA   ARG 160           HA       ARG 160 -16.337   4.726   1.273
  225    HB2  ARG 160           HB2      ARG 160 -14.635   4.725   3.143
  226    HB3  ARG 160           HB1      ARG 160 -13.492   4.040   1.997
  227    HG2  ARG 160           HG2      ARG 160 -13.750   5.997   0.558
  228    HG3  ARG 160           HG1      ARG 160 -14.886   6.694   1.715
  229    HD2  ARG 160           HD2      ARG 160 -11.993   6.026   2.239
  230    HD3  ARG 160           HD1      ARG 160 -12.654   7.639   1.982
  231    HE   ARG 160           HE       ARG 160 -14.035   6.453   4.114
  232   HH11  ARG 160          1HH1      ARG 160 -10.834   7.669   3.352
  233   HH12  ARG 160          2HH1      ARG 160 -10.459   8.054   5.007
  234   HH21  ARG 160          1HH2      ARG 160 -13.536   6.951   6.271
  235   HH22  ARG 160          2HH2      ARG 160 -11.987   7.639   6.667
  236    H    TYR 161           H        TYR 161 -14.004   2.122   0.632
  237    HA   TYR 161           HA       TYR 161 -13.283   2.718  -1.959
  238    HB2  TYR 161           HB2      TYR 161 -12.357   0.822  -0.711
  239    HB3  TYR 161           HB1      TYR 161 -13.912   0.000  -0.774
  240    HD1  TYR 161           HD2      TYR 161 -14.710  -1.000  -2.868
  241    HD2  TYR 161           HD1      TYR 161 -10.899   0.880  -2.636
  242    HE1  TYR 161           HE2      TYR 161 -14.070  -2.050  -4.997
  243    HE2  TYR 161           HE1      TYR 161 -10.250  -0.166  -4.763
  244    HH   TYR 161           HH       TYR 161 -10.893  -2.147  -6.109
  245    H    LYS 162           H        LYS 162 -16.108   0.887  -0.856
  246    HA   LYS 162           HA       LYS 162 -17.141   0.409  -3.436
  247    HB2  LYS 162           HB2      LYS 162 -18.317   0.263  -0.680
  248    HB3  LYS 162           HB1      LYS 162 -19.295  -0.042  -2.110
  249    HG2  LYS 162           HG2      LYS 162 -17.819  -1.852  -2.765
  250    HG3  LYS 162           HG1      LYS 162 -16.780  -1.527  -1.377
  251    HD2  LYS 162           HD2      LYS 162 -18.397  -3.439  -1.111
  252    HD3  LYS 162           HD1      LYS 162 -18.451  -2.211   0.152
  253    HE2  LYS 162           HE2      LYS 162 -20.691  -2.958  -0.602
  254    HE3  LYS 162           HE1      LYS 162 -20.419  -1.230  -0.801
  255    HZ1  LYS 162           HZ1      LYS 162 -20.049  -1.552  -3.135
  256    HZ2  LYS 162           HZ2      LYS 162 -21.523  -2.274  -2.727
  257    HZ3  LYS 162           HZ3      LYS 162 -20.152  -3.232  -2.979
  258    H    ARG 163           H        ARG 163 -17.537   3.120  -1.240
  259    HA   ARG 163           HA       ARG 163 -19.773   4.166  -2.739
  260    HB2  ARG 163           HB2      ARG 163 -19.440   4.576  -0.280
  261    HB3  ARG 163           HB1      ARG 163 -18.090   5.626  -0.698
  262    HG2  ARG 163           HG2      ARG 163 -19.630   7.023  -2.024
  263    HG3  ARG 163           HG1      ARG 163 -20.969   6.004  -1.496
  264    HD2  ARG 163           HD2      ARG 163 -20.940   7.934  -0.101
  265    HD3  ARG 163           HD1      ARG 163 -20.358   6.576   0.861
  266    HE   ARG 163           HE       ARG 163 -18.214   7.993  -0.363
  267   HH11  ARG 163          1HH1      ARG 163 -20.462   8.088   2.320
  268   HH12  ARG 163          2HH1      ARG 163 -19.433   9.078   3.311
  269   HH21  ARG 163          1HH2      ARG 163 -16.863   9.304   0.916
  270   HH22  ARG 163          2HH2      ARG 163 -17.388   9.782   2.509
  271    H    HIS 164           H        HIS 164 -16.310   4.831  -2.454
  272    HA   HIS 164           HA       HIS 164 -16.356   7.192  -4.031
  273    HB2  HIS 164           HB2      HIS 164 -14.542   6.390  -2.380
  274    HB3  HIS 164           HB1      HIS 164 -13.938   5.426  -3.722
  275    HD1  HIS 164           HD1      HIS 164 -13.077   6.824  -5.851
  276    HD2  HIS 164           HD2      HIS 164 -13.849   9.024  -2.414
  277    HE1  HIS 164           HE1      HIS 164 -11.932   9.036  -6.190
  278    HE2  HIS 164           HE2      HIS 164 -12.255  10.271  -4.014
  279    H    PHE 165           H        PHE 165 -15.962   3.786  -4.783
  280    HA   PHE 165           HA       PHE 165 -15.453   4.431  -7.584
  281    HB2  PHE 165           HB2      PHE 165 -15.351   1.854  -6.032
  282    HB3  PHE 165           HB1      PHE 165 -15.289   1.884  -7.791
  283    HD1  PHE 165           HD1      PHE 165 -13.368   2.774  -8.957
  284    HD2  PHE 165           HD2      PHE 165 -13.500   2.672  -4.706
  285    HE1  PHE 165           HE1      PHE 165 -10.943   3.192  -8.875
  286    HE2  PHE 165           HE2      PHE 165 -11.080   3.087  -4.618
  287    HZ   PHE 165           HZ       PHE 165  -9.799   3.350  -6.705
  288    H    LYS 166           H        LYS 166 -18.066   4.202  -5.693
  289    HA   LYS 166           HA       LYS 166 -20.279   3.882  -5.966
  290    HB2  LYS 166           HB2      LYS 166 -19.489   4.352  -8.835
  291    HB3  LYS 166           HB1      LYS 166 -21.161   4.128  -8.346
  292    HG2  LYS 166           HG2      LYS 166 -20.822   6.451  -8.486
  293    HG3  LYS 166           HG1      LYS 166 -20.840   6.066  -6.766
  294    HD2  LYS 166           HD2      LYS 166 -18.382   6.098  -6.753
  295    HD3  LYS 166           HD1      LYS 166 -18.389   6.515  -8.467
  296    HE2  LYS 166           HE2      LYS 166 -19.655   8.171  -6.288
  297    HE3  LYS 166           HE1      LYS 166 -18.060   8.468  -6.973
  298    HZ1  LYS 166           HZ1      LYS 166 -19.759   9.877  -7.972
  299    HZ2  LYS 166           HZ2      LYS 166 -20.614   8.511  -8.498
  300    HZ3  LYS 166           HZ3      LYS 166 -19.075   8.839  -9.126
  301    H    LEU 167           H        LEU 167 -19.980   1.719  -5.174
  302    HA   LEU 167           HA       LEU 167 -20.678  -0.307  -7.203
  303    HB2  LEU 167           HB2      LEU 167 -19.229  -0.739  -4.584
  304    HB3  LEU 167           HB1      LEU 167 -19.658  -1.982  -5.744
  305    HG   LEU 167           HG       LEU 167 -17.723   0.273  -6.289
  306   HD11  LEU 167          1HD1      LEU 167 -16.858  -1.263  -4.600
  307   HD12  LEU 167          2HD1      LEU 167 -15.986  -1.435  -6.123
  308   HD13  LEU 167          3HD1      LEU 167 -17.197  -2.631  -5.661
  309   HD21  LEU 167          3HD2      LEU 167 -18.836  -0.542  -8.293
  310   HD22  LEU 167          1HD2      LEU 167 -18.416  -2.202  -7.869
  311   HD23  LEU 167          2HD2      LEU 167 -17.146  -1.046  -8.272
  312    HA   PRO 168           HA       PRO 168 -24.556  -0.386  -5.203
  313    HB2  PRO 168           HB2      PRO 168 -25.381  -2.905  -5.897
  314    HB3  PRO 168           HB1      PRO 168 -25.403  -1.520  -6.993
  315    HG2  PRO 168           HG2      PRO 168 -23.404  -3.731  -6.766
  316    HG3  PRO 168           HG1      PRO 168 -24.059  -2.953  -8.219
  317    HD2  PRO 168           HD2      PRO 168 -21.614  -2.359  -7.239
  318    HD3  PRO 168           HD1      PRO 168 -22.626  -1.151  -8.051
  319    H    THR 169           H        THR 169 -25.698  -1.210  -3.453
  320    HA   THR 169           HA       THR 169 -24.497  -3.419  -1.938
  321    HB   THR 169           HB       THR 169 -24.836  -2.187   0.182
  322    HG1  THR 169           HG1      THR 169 -25.842  -0.288  -1.582
  323   HG21  THR 169          3HG2      THR 169 -22.902  -0.725   0.013
  324   HG22  THR 169          1HG2      THR 169 -23.016  -0.753  -1.746
  325   HG23  THR 169          2HG2      THR 169 -22.623  -2.231  -0.865
  326    H    ARG 170           H        ARG 170 -26.078  -3.791   0.073
  327    HA   ARG 170           HA       ARG 170 -28.820  -3.177  -0.320
  328    HB2  ARG 170           HB2      ARG 170 -29.575  -5.555  -0.643
  329    HB3  ARG 170           HB1      ARG 170 -28.791  -4.836  -2.038
  330    HG2  ARG 170           HG2      ARG 170 -27.912  -6.973  -1.969
  331    HG3  ARG 170           HG1      ARG 170 -26.665  -6.006  -1.183
  332    HD2  ARG 170           HD2      ARG 170 -27.494  -6.684   1.001
  333    HD3  ARG 170           HD1      ARG 170 -28.787  -7.607   0.239
  334    HE   ARG 170           HE       ARG 170 -26.355  -8.525  -0.781
  335   HH11  ARG 170          1HH1      ARG 170 -28.079  -8.452   2.268
  336   HH12  ARG 170          2HH1      ARG 170 -27.369  -9.929   2.842
  337   HH21  ARG 170          1HH2      ARG 170 -25.442 -10.482  -0.037
  338   HH22  ARG 170          2HH2      ARG 170 -25.894 -11.096   1.536
  339    HA   PRO 171           HA       PRO 171 -29.084  -3.958   4.009
  340    HB2  PRO 171           HB2      PRO 171 -31.420  -5.728   3.482
  341    HB3  PRO 171           HB1      PRO 171 -31.280  -4.338   4.565
  342    HG2  PRO 171           HG2      PRO 171 -32.589  -4.132   2.257
  343    HG3  PRO 171           HG1      PRO 171 -31.572  -2.805   2.851
  344    HD2  PRO 171           HD2      PRO 171 -31.025  -4.797   0.694
  345    HD3  PRO 171           HD1      PRO 171 -30.584  -3.080   0.784
  346    H    GLY 172           H        GLY 172 -27.963  -5.291   5.277
  347    HA2  GLY 172           HA2      GLY 172 -27.680  -7.488   6.249
  348    HA3  GLY 172           HA1      GLY 172 -27.990  -8.176   4.660
  349    H    LEU 173           H        LEU 173 -25.932  -5.395   5.198
  350    HA   LEU 173           HA       LEU 173 -23.748  -6.771   3.910
  351    HB2  LEU 173           HB2      LEU 173 -23.938  -3.986   5.044
  352    HB3  LEU 173           HB1      LEU 173 -22.525  -4.630   4.231
  353    HG   LEU 173           HG       LEU 173 -25.244  -4.204   2.987
  354   HD11  LEU 173          1HD1      LEU 173 -24.130  -2.477   1.694
  355   HD12  LEU 173          2HD1      LEU 173 -22.617  -2.795   2.542
  356   HD13  LEU 173          3HD1      LEU 173 -24.000  -2.141   3.420
  357   HD21  LEU 173          3HD2      LEU 173 -24.145  -4.822   0.885
  358   HD22  LEU 173          1HD2      LEU 173 -24.139  -6.157   2.037
  359   HD23  LEU 173          2HD2      LEU 173 -22.672  -5.214   1.773
  360    H    ASN 174           H        ASN 174 -21.871  -7.384   4.769
  361    HA   ASN 174           HA       ASN 174 -21.482  -7.140   7.673
  362    HB2  ASN 174           HB2      ASN 174 -21.212  -9.647   5.994
  363    HB3  ASN 174           HB1      ASN 174 -20.537  -9.491   7.610
  364   HD21  ASN 174          1HD2      ASN 174 -22.557 -11.317   6.544
  365   HD22  ASN 174          2HD2      ASN 174 -23.961 -11.100   7.532
  366    H    LYS 175           H        LYS 175 -19.144  -7.848   8.209
  367    HA   LYS 175           HA       LYS 175 -17.302  -6.251   6.854
  368    HB2  LYS 175           HB2      LYS 175 -16.832  -6.949   9.089
  369    HB3  LYS 175           HB1      LYS 175 -16.940  -8.646   8.655
  370    HG2  LYS 175           HG2      LYS 175 -14.635  -7.923   9.044
  371    HG3  LYS 175           HG1      LYS 175 -14.882  -8.491   7.393
  372    HD2  LYS 175           HD2      LYS 175 -14.973  -6.225   6.579
  373    HD3  LYS 175           HD1      LYS 175 -14.895  -5.591   8.227
  374    HE2  LYS 175           HE2      LYS 175 -12.748  -7.238   6.899
  375    HE3  LYS 175           HE1      LYS 175 -12.735  -5.481   7.019
  376    HZ1  LYS 175           HZ1      LYS 175 -11.388  -6.518   8.738
  377    HZ2  LYS 175           HZ2      LYS 175 -12.737  -7.357   9.323
  378    HZ3  LYS 175           HZ3      LYS 175 -12.687  -5.664   9.420
  379    H    ALA 176           H        ALA 176 -17.717  -9.788   6.680
  380    HA   ALA 176           HA       ALA 176 -15.768 -10.220   4.703
  381    HB1  ALA 176           HB1      ALA 176 -18.212 -11.877   5.318
  382    HB2  ALA 176           HB2      ALA 176 -16.644 -12.007   6.115
  383    HB3  ALA 176           HB3      ALA 176 -16.801 -12.411   4.405
  384    H    GLN 177           H        GLN 177 -19.159  -9.337   4.465
  385    HA   GLN 177           HA       GLN 177 -19.482  -9.933   1.710
  386    HB2  GLN 177           HB2      GLN 177 -20.979  -8.072   3.557
  387    HB3  GLN 177           HB1      GLN 177 -21.449  -8.351   1.883
  388    HG2  GLN 177           HG2      GLN 177 -21.287 -10.438   4.047
  389    HG3  GLN 177           HG1      GLN 177 -22.762  -9.717   3.402
  390   HE21  GLN 177          1HE2      GLN 177 -23.455 -10.288   1.339
  391   HE22  GLN 177          2HE2      GLN 177 -22.856 -11.686   0.518
  392    H    LEU 178           H        LEU 178 -18.613  -6.994   3.462
  393    HA   LEU 178           HA       LEU 178 -18.446  -5.264   1.257
  394    HB2  LEU 178           HB2      LEU 178 -16.795  -5.264   3.786
  395    HB3  LEU 178           HB1      LEU 178 -16.945  -3.922   2.666
  396    HG   LEU 178           HG       LEU 178 -19.218  -5.086   4.274
  397   HD11  LEU 178          1HD1      LEU 178 -17.652  -2.540   4.650
  398   HD12  LEU 178          2HD1      LEU 178 -17.595  -3.965   5.690
  399   HD13  LEU 178          3HD1      LEU 178 -19.080  -3.023   5.568
  400   HD21  LEU 178          3HD2      LEU 178 -19.088  -2.602   2.566
  401   HD22  LEU 178          1HD2      LEU 178 -20.474  -3.158   3.505
  402   HD23  LEU 178          2HD2      LEU 178 -19.906  -4.103   2.129
  403    H    VAL 179           H        VAL 179 -16.025  -7.299   2.838
  404    HA   VAL 179           HA       VAL 179 -13.838  -6.613   1.233
  405    HB   VAL 179           HB       VAL 179 -14.318  -9.285   2.572
  406   HG11  VAL 179          1HG1      VAL 179 -11.878  -9.385   2.680
  407   HG12  VAL 179          2HG1      VAL 179 -11.783  -7.859   1.800
  408   HG13  VAL 179          3HG1      VAL 179 -12.452  -9.290   1.014
  409   HG21  VAL 179          3HG2      VAL 179 -14.609  -7.463   4.168
  410   HG22  VAL 179          1HG2      VAL 179 -13.055  -6.783   3.686
  411   HG23  VAL 179          2HG2      VAL 179 -13.119  -8.352   4.489
  412    H    GLU 180           H        GLU 180 -16.422  -8.950   0.757
  413    HA   GLU 180           HA       GLU 180 -15.384 -10.296  -1.479
  414    HB2  GLU 180           HB2      GLU 180 -18.235  -9.674  -0.701
  415    HB3  GLU 180           HB1      GLU 180 -17.803 -10.711  -2.052
  416    HG2  GLU 180           HG2      GLU 180 -17.038 -11.201   0.813
  417    HG3  GLU 180           HG1      GLU 180 -18.392 -11.958  -0.025
  418    H    ILE 181           H        ILE 181 -17.678  -7.571  -1.357
  419    HA   ILE 181           HA       ILE 181 -17.759  -7.148  -4.137
  420    HB   ILE 181           HB       ILE 181 -18.215  -5.025  -2.035
  421   HG12  ILE 181          2HG1      ILE 181 -20.232  -6.978  -3.171
  422   HG13  ILE 181          1HG1      ILE 181 -19.495  -7.140  -1.583
  423   HG21  ILE 181          1HG2      ILE 181 -19.294  -5.385  -4.830
  424   HG22  ILE 181          2HG2      ILE 181 -18.098  -4.192  -4.322
  425   HG23  ILE 181          3HG2      ILE 181 -19.752  -4.098  -3.715
  426   HD11  ILE 181          3HD1      ILE 181 -21.719  -6.187  -1.419
  427   HD12  ILE 181          1HD1      ILE 181 -21.255  -4.869  -2.495
  428   HD13  ILE 181          2HD1      ILE 181 -20.507  -5.015  -0.905
  429    H    VAL 182           H        VAL 182 -15.774  -5.660  -1.599
  430    HA   VAL 182           HA       VAL 182 -14.419  -3.808  -3.212
  431    HB   VAL 182           HB       VAL 182 -13.466  -5.225  -0.712
  432   HG11  VAL 182          1HG1      VAL 182 -11.786  -3.450  -0.532
  433   HG12  VAL 182          2HG1      VAL 182 -12.283  -2.822  -2.103
  434   HG13  VAL 182          3HG1      VAL 182 -11.546  -4.421  -1.984
  435   HG21  VAL 182          3HG2      VAL 182 -14.647  -2.488  -1.162
  436   HG22  VAL 182          1HG2      VAL 182 -13.996  -3.075   0.367
  437   HG23  VAL 182          2HG2      VAL 182 -15.417  -3.846  -0.339
  438    H    GLY 183           H        GLY 183 -13.546  -7.149  -2.324
  439    HA2  GLY 183           HA2      GLY 183 -11.138  -7.249  -3.772
  440    HA3  GLY 183           HA1      GLY 183 -12.101  -8.641  -3.296
  441    H    CYS 184           H        CYS 184 -14.452  -8.061  -4.699
  442    HA   CYS 184           HA       CYS 184 -13.965  -9.175  -7.193
  443    HB2  CYS 184           HB2      CYS 184 -16.165  -9.232  -6.162
  444    HB3  CYS 184           HB1      CYS 184 -16.296  -7.482  -6.273
  445    HG   CYS 184           HG       CYS 184 -16.942  -9.819  -8.574
  446    H    HIS 185           H        HIS 185 -14.340  -5.748  -6.306
  447    HA   HIS 185           HA       HIS 185 -13.929  -4.948  -9.070
  448    HB2  HIS 185           HB2      HIS 185 -15.506  -3.739  -7.550
  449    HB3  HIS 185           HB1      HIS 185 -14.116  -3.187  -6.620
  450    HD1  HIS 185           HD1      HIS 185 -12.779  -1.231  -7.547
  451    HD2  HIS 185           HD2      HIS 185 -15.703  -2.611 -10.164
  452    HE1  HIS 185           HE1      HIS 185 -12.911   0.485  -9.389
  453    HE2  HIS 185           HE2      HIS 185 -14.557  -0.468 -11.046
  454    H    PHE 186           H        PHE 186 -12.077  -5.194  -6.128
  455    HA   PHE 186           HA       PHE 186  -9.965  -3.466  -6.773
  456    HB2  PHE 186           HB2      PHE 186 -10.469  -4.385  -4.507
  457    HB3  PHE 186           HB1      PHE 186  -9.862  -5.947  -5.047
  458    HD1  PHE 186           HD2      PHE 186  -8.877  -2.401  -4.629
  459    HD2  PHE 186           HD1      PHE 186  -7.612  -6.451  -4.854
  460    HE1  PHE 186           HE2      PHE 186  -6.607  -1.723  -3.989
  461    HE2  PHE 186           HE1      PHE 186  -5.339  -5.787  -4.212
  462    HZ   PHE 186           HZ       PHE 186  -4.826  -3.412  -3.779
  463    H    LYS 187           H        LYS 187 -10.616  -6.794  -7.611
  464    HA   LYS 187           HA       LYS 187  -7.976  -7.287  -8.652
  465    HB2  LYS 187           HB2      LYS 187 -10.559  -8.834  -8.895
  466    HB3  LYS 187           HB1      LYS 187  -9.011  -9.399  -9.509
  467    HG2  LYS 187           HG2      LYS 187  -8.100  -9.433  -7.265
  468    HG3  LYS 187           HG1      LYS 187  -9.603  -8.770  -6.624
  469    HD2  LYS 187           HD2      LYS 187 -10.808 -10.760  -7.320
  470    HD3  LYS 187           HD1      LYS 187  -9.340 -11.421  -8.044
  471    HE2  LYS 187           HE2      LYS 187  -8.274 -11.460  -5.843
  472    HE3  LYS 187           HE1      LYS 187  -9.732 -10.785  -5.121
  473    HZ1  LYS 187           HZ1      LYS 187 -10.933 -12.750  -5.601
  474    HZ2  LYS 187           HZ2      LYS 187  -9.463 -13.243  -4.909
  475    HZ3  LYS 187           HZ3      LYS 187  -9.692 -13.368  -6.584
  476    H    SER 188           H        SER 188  -9.937  -5.114  -9.766
  477    HA   SER 188           HA       SER 188  -9.225  -5.610 -12.546
  478    HB2  SER 188           HB2      SER 188 -12.067  -5.027 -11.682
  479    HB3  SER 188           HB1      SER 188 -11.499  -5.146 -13.348
  480    HG   SER 188           HG       SER 188 -10.696  -7.339 -12.158
  481    H    ILE 189           H        ILE 189  -8.262  -3.727 -10.570
  482    HA   ILE 189           HA       ILE 189  -9.354  -1.171 -11.451
  483    HB   ILE 189           HB       ILE 189  -7.225  -1.806  -9.400
  484   HG12  ILE 189          2HG1      ILE 189 -10.059  -0.789  -9.092
  485   HG13  ILE 189          1HG1      ILE 189  -9.507  -2.420  -8.723
  486   HG21  ILE 189          1HG2      ILE 189  -8.399   0.858 -10.196
  487   HG22  ILE 189          2HG2      ILE 189  -6.729   0.328 -10.408
  488   HG23  ILE 189          3HG2      ILE 189  -7.373   0.585  -8.787
  489   HD11  ILE 189          3HD1      ILE 189  -8.052  -1.525  -6.977
  490   HD12  ILE 189          1HD1      ILE 189  -9.742  -1.102  -6.707
  491   HD13  ILE 189          2HD1      ILE 189  -8.623   0.103  -7.343
  492    HA   PRO 190           HA       PRO 190  -6.068  -0.990 -14.571
  493    HB2  PRO 190           HB2      PRO 190  -7.302   1.657 -15.025
  494    HB3  PRO 190           HB1      PRO 190  -7.014   0.340 -16.168
  495    HG2  PRO 190           HG2      PRO 190  -9.483   0.925 -15.316
  496    HG3  PRO 190           HG1      PRO 190  -8.979  -0.749 -15.614
  497    HD2  PRO 190           HD2      PRO 190  -9.237   0.720 -13.016
  498    HD3  PRO 190           HD1      PRO 190  -9.697  -0.949 -13.415
  499    H    VAL 191           H        VAL 191  -4.062  -0.275 -14.150
  500    HA   VAL 191           HA       VAL 191  -3.696   2.190 -12.625
  501    HB   VAL 191           HB       VAL 191  -3.929   0.262 -11.018
  502   HG11  VAL 191          1HG1      VAL 191  -1.323  -0.598 -12.249
  503   HG12  VAL 191          2HG1      VAL 191  -2.854  -1.472 -12.300
  504   HG13  VAL 191          3HG1      VAL 191  -2.015  -1.252 -10.765
  505   HG21  VAL 191          3HG2      VAL 191  -2.057   0.906  -9.622
  506   HG22  VAL 191          1HG2      VAL 191  -2.786   2.317 -10.388
  507   HG23  VAL 191          2HG2      VAL 191  -1.266   1.663 -11.005
  508    H    ASN 192           H        ASN 192  -1.596   3.092 -12.826
  509    HA   ASN 192           HA       ASN 192   0.037   1.892 -14.970
  510    HB2  ASN 192           HB2      ASN 192   0.072   4.804 -14.168
  511    HB3  ASN 192           HB1      ASN 192   0.728   4.082 -15.630
  512   HD21  ASN 192          1HD2      ASN 192  -1.991   5.470 -14.130
  513   HD22  ASN 192          2HD2      ASN 192  -3.094   5.315 -15.457
  514    H    GLU 193           H        GLU 193   2.378   2.132 -14.773
  515    HA   GLU 193           HA       GLU 193   3.236   1.526 -12.120
  516    HB2  GLU 193           HB2      GLU 193   4.238   0.520 -14.141
  517    HB3  GLU 193           HB1      GLU 193   4.892   2.092 -14.583
  518    HG2  GLU 193           HG2      GLU 193   6.208   2.092 -12.496
  519    HG3  GLU 193           HG1      GLU 193   5.604   0.471 -12.150
  520    H    LYS 194           H        LYS 194   4.366   4.138 -14.303
  521    HA   LYS 194           HA       LYS 194   5.790   5.386 -12.162
  522    HB2  LYS 194           HB2      LYS 194   6.623   5.459 -14.453
  523    HB3  LYS 194           HB1      LYS 194   5.206   6.366 -14.958
  524    HG2  LYS 194           HG2      LYS 194   7.151   7.808 -14.707
  525    HG3  LYS 194           HG1      LYS 194   5.883   8.238 -13.560
  526    HD2  LYS 194           HD2      LYS 194   7.044   7.138 -11.772
  527    HD3  LYS 194           HD1      LYS 194   8.241   6.484 -12.892
  528    HE2  LYS 194           HE2      LYS 194   9.087   8.422 -11.631
  529    HE3  LYS 194           HE1      LYS 194   9.065   8.701 -13.370
  530    HZ1  LYS 194           HZ1      LYS 194   7.120  10.049 -13.154
  531    HZ2  LYS 194           HZ2      LYS 194   8.256  10.600 -12.019
  532    HZ3  LYS 194           HZ3      LYS 194   6.946   9.653 -11.515
  533    H    ASP 195           H        ASP 195   2.866   6.162 -13.983
  534    HA   ASP 195           HA       ASP 195   2.261   8.643 -12.924
  535    HB2  ASP 195           HB2      ASP 195   0.946   7.804 -14.724
  536    HB3  ASP 195           HB1      ASP 195   0.466   6.381 -13.806
  537    H    THR 196           H        THR 196   1.412   5.460 -11.625
  538    HA   THR 196           HA       THR 196  -0.065   6.503  -9.432
  539    HB   THR 196           HB       THR 196   1.120   3.748  -9.776
  540    HG1  THR 196           HG1      THR 196  -0.336   3.566 -11.270
  541   HG21  THR 196          3HG2      THR 196  -1.175   4.722  -8.071
  542   HG22  THR 196          1HG2      THR 196   0.410   4.219  -7.480
  543   HG23  THR 196          2HG2      THR 196  -0.658   3.045  -8.250
  544    H    LEU 197           H        LEU 197   3.237   5.195  -9.780
  545    HA   LEU 197           HA       LEU 197   3.996   5.337  -7.098
  546    HB2  LEU 197           HB2      LEU 197   5.647   5.776  -9.588
  547    HB3  LEU 197           HB1      LEU 197   6.333   5.663  -7.980
  548    HG   LEU 197           HG       LEU 197   4.879   3.485  -9.479
  549   HD11  LEU 197          1HD1      LEU 197   7.034   2.334  -9.350
  550   HD12  LEU 197          2HD1      LEU 197   7.738   3.748  -8.563
  551   HD13  LEU 197          3HD1      LEU 197   7.159   3.861 -10.226
  552   HD21  LEU 197          3HD2      LEU 197   6.009   3.459  -6.683
  553   HD22  LEU 197          1HD2      LEU 197   5.371   2.064  -7.554
  554   HD23  LEU 197          2HD2      LEU 197   4.300   3.393  -7.116
  555    H    THR 198           H        THR 198   4.123   7.789  -9.635
  556    HA   THR 198           HA       THR 198   5.405   9.794  -8.135
  557    HB   THR 198           HB       THR 198   3.434  10.251 -10.381
  558    HG1  THR 198           HG1      THR 198   4.882   8.870 -11.257
  559   HG21  THR 198          3HG2      THR 198   4.144  12.279  -9.206
  560   HG22  THR 198          1HG2      THR 198   4.819  12.227 -10.834
  561   HG23  THR 198          2HG2      THR 198   5.833  11.834  -9.446
  562    H    CYS 199           H        CYS 199   1.954   9.091  -8.652
  563    HA   CYS 199           HA       CYS 199   0.905  11.272  -7.240
  564    HB2  CYS 199           HB2      CYS 199  -0.226   8.480  -7.528
  565    HB3  CYS 199           HB1      CYS 199  -1.133   9.893  -6.994
  566    HG   CYS 199           HG       CYS 199   0.087   9.233 -10.109
  567    H    PHE 200           H        PHE 200   1.660   7.987  -6.122
  568    HA   PHE 200           HA       PHE 200   0.855   8.347  -3.461
  569    HB2  PHE 200           HB2      PHE 200   1.227   6.124  -4.348
  570    HB3  PHE 200           HB1      PHE 200   2.930   6.486  -4.631
  571    HD1  PHE 200           HD1      PHE 200   0.426   6.361  -1.870
  572    HD2  PHE 200           HD2      PHE 200   4.487   5.875  -3.052
  573    HE1  PHE 200           HE1      PHE 200   0.979   5.541   0.380
  574    HE2  PHE 200           HE2      PHE 200   5.046   5.052  -0.802
  575    HZ   PHE 200           HZ       PHE 200   3.291   4.883   0.916
  576    H    ILE 201           H        ILE 201   4.133   8.485  -4.872
  577    HA   ILE 201           HA       ILE 201   5.500   9.117  -2.544
  578    HB   ILE 201           HB       ILE 201   6.156  10.036  -5.352
  579   HG12  ILE 201          2HG1      ILE 201   7.148   7.650  -3.778
  580   HG13  ILE 201          1HG1      ILE 201   5.977   7.586  -5.090
  581   HG21  ILE 201          1HG2      ILE 201   8.452  10.294  -4.533
  582   HG22  ILE 201          2HG2      ILE 201   7.915   9.897  -2.900
  583   HG23  ILE 201          3HG2      ILE 201   7.338  11.366  -3.688
  584   HD11  ILE 201          3HD1      ILE 201   8.178   6.926  -5.859
  585   HD12  ILE 201          1HD1      ILE 201   8.844   8.471  -5.325
  586   HD13  ILE 201          2HD1      ILE 201   7.666   8.424  -6.637
  587    H    TYR 202           H        TYR 202   4.103  11.319  -4.963
  588    HA   TYR 202           HA       TYR 202   4.996  13.717  -3.837
  589    HB2  TYR 202           HB2      TYR 202   3.892  13.263  -6.130
  590    HB3  TYR 202           HB1      TYR 202   2.365  13.462  -5.278
  591    HD1  TYR 202           HD1      TYR 202   5.511  15.171  -6.207
  592    HD2  TYR 202           HD2      TYR 202   1.540  15.625  -4.746
  593    HE1  TYR 202           HE1      TYR 202   5.685  17.604  -6.507
  594    HE2  TYR 202           HE2      TYR 202   1.708  18.062  -5.037
  595    HH   TYR 202           HH       TYR 202   3.461  19.782  -5.155
  596    H    SER 203           H        SER 203   2.006  11.893  -3.282
  597    HA   SER 203           HA       SER 203   0.780  13.790  -1.599
  598    HB2  SER 203           HB2      SER 203   0.374  10.790  -1.697
  599    HB3  SER 203           HB1      SER 203  -0.713  11.950  -0.932
  600    HG   SER 203           HG       SER 203  -0.225  11.473  -3.654
  601    H    VAL 204           H        VAL 204   2.858  10.996  -0.868
  602    HA   VAL 204           HA       VAL 204   2.586  11.305   1.965
  603    HB   VAL 204           HB       VAL 204   4.750   9.782   0.503
  604   HG11  VAL 204          1HG1      VAL 204   3.591   9.538   3.274
  605   HG12  VAL 204          2HG1      VAL 204   5.241   9.989   2.840
  606   HG13  VAL 204          3HG1      VAL 204   4.663   8.345   2.541
  607   HG21  VAL 204          3HG2      VAL 204   2.585   9.087  -0.337
  608   HG22  VAL 204          1HG2      VAL 204   1.993   8.869   1.310
  609   HG23  VAL 204          2HG2      VAL 204   3.274   7.829   0.689
  610    H    ARG 205           H        ARG 205   4.640  12.662  -0.465
  611    HA   ARG 205           HA       ARG 205   6.646  13.704   1.264
  612    HB2  ARG 205           HB2      ARG 205   5.656  14.643  -1.435
  613    HB3  ARG 205           HB1      ARG 205   7.043  15.335  -0.606
  614    HG2  ARG 205           HG2      ARG 205   6.871  12.414  -1.279
  615    HG3  ARG 205           HG1      ARG 205   7.507  13.612  -2.406
  616    HD2  ARG 205           HD2      ARG 205   8.559  13.209   0.388
  617    HD3  ARG 205           HD1      ARG 205   9.235  12.420  -1.037
  618    HE   ARG 205           HE       ARG 205   9.075  15.359  -0.909
  619   HH11  ARG 205          1HH1      ARG 205  10.982  12.426  -1.058
  620   HH12  ARG 205          2HH1      ARG 205  12.441  13.239  -1.521
  621   HH21  ARG 205          1HH2      ARG 205  10.983  16.441  -1.538
  622   HH22  ARG 205          2HH2      ARG 205  12.456  15.539  -1.759
  623    H    ASN 206           H        ASN 206   3.440  14.715   0.343
  624    HA   ASN 206           HA       ASN 206   3.708  17.361   1.498
  625    HB2  ASN 206           HB2      ASN 206   1.301  15.919   0.363
  626    HB3  ASN 206           HB1      ASN 206   1.304  17.591   0.907
  627   HD21  ASN 206          1HD2      ASN 206   3.935  18.188  -0.150
  628   HD22  ASN 206          2HD2      ASN 206   3.763  18.258  -1.870
  629    H    ASP 207           H        ASP 207   1.757  14.449   2.155
  630    HA   ASP 207           HA       ASP 207   1.648  15.170   4.986
  631    HB2  ASP 207           HB2      ASP 207  -0.398  16.065   3.707
  632    HB3  ASP 207           HB1      ASP 207  -0.846  14.380   3.469
  633    H    LYS 208           H        LYS 208  -0.180  13.123   5.667
  634    HA   LYS 208           HA       LYS 208   1.356  10.727   4.892
  635    HB2  LYS 208           HB2      LYS 208  -0.243  11.076   7.430
  636    HB3  LYS 208           HB1      LYS 208   0.862   9.768   7.037
  637    HG2  LYS 208           HG2      LYS 208   1.618  12.644   7.511
  638    HG3  LYS 208           HG1      LYS 208   1.865  11.298   8.625
  639    HD2  LYS 208           HD2      LYS 208   3.369  10.235   7.027
  640    HD3  LYS 208           HD1      LYS 208   3.089  11.545   5.876
  641    HE2  LYS 208           HE2      LYS 208   5.193  11.890   7.027
  642    HE3  LYS 208           HE1      LYS 208   4.041  13.140   7.491
  643    HZ1  LYS 208           HZ1      LYS 208   3.554  11.636   9.475
  644    HZ2  LYS 208           HZ2      LYS 208   5.018  12.485   9.478
  645    HZ3  LYS 208           HZ3      LYS 208   4.999  10.841   9.081
  646    H    ASN 209           H        ASN 209  -1.657  12.285   4.890
  647    HA   ASN 209           HA       ASN 209  -2.831  10.093   3.391
  648    HB2  ASN 209           HB2      ASN 209  -3.413  10.117   6.069
  649    HB3  ASN 209           HB1      ASN 209  -4.701  11.133   5.421
  650   HD21  ASN 209          1HD2      ASN 209  -6.095  10.249   3.825
  651   HD22  ASN 209          2HD2      ASN 209  -6.343   8.542   3.730
  652    H    LYS 210           H        LYS 210  -3.425  13.185   4.994
  653    HA   LYS 210           HA       LYS 210  -3.902  14.657   2.655
  654    HB2  LYS 210           HB2      LYS 210  -6.014  13.302   2.653
  655    HB3  LYS 210           HB1      LYS 210  -6.414  14.000   4.216
  656    HG2  LYS 210           HG2      LYS 210  -6.457  16.227   3.215
  657    HG3  LYS 210           HG1      LYS 210  -6.057  15.523   1.646
  658    HD2  LYS 210           HD2      LYS 210  -8.131  14.160   1.799
  659    HD3  LYS 210           HD1      LYS 210  -8.542  15.028   3.279
  660    HE2  LYS 210           HE2      LYS 210  -8.556  17.133   2.048
  661    HE3  LYS 210           HE1      LYS 210  -8.118  16.279   0.569
  662    HZ1  LYS 210           HZ1      LYS 210 -10.445  16.632   0.526
  663    HZ2  LYS 210           HZ2      LYS 210 -10.645  16.046   2.106
  664    HZ3  LYS 210           HZ3      LYS 210 -10.216  14.980   0.856
  665    H    SER 211           H        SER 211  -3.441  16.703   3.210
  666    HA   SER 211           HA       SER 211  -2.578  17.272   5.798
  667    HB2  SER 211           HB2      SER 211  -3.228  19.145   3.520
  668    HB3  SER 211           HB1      SER 211  -2.404  19.635   5.002
  669    HG   SER 211           HG       SER 211  -1.066  17.579   4.267
  670    H    ASP 212           H        ASP 212  -3.864  17.216   7.474
  671    HA   ASP 212           HA       ASP 212  -6.447  18.597   7.372
  672    HB2  ASP 212           HB2      ASP 212  -6.619  16.309   8.103
  673    HB3  ASP 212           HB1      ASP 212  -5.348  16.544   9.299
  674    H    LEU 213           H        LEU 213  -4.060  18.016   9.939
  675    HA   LEU 213           HA       LEU 213  -3.276  20.656  10.370
  676    HB2  LEU 213           HB2      LEU 213  -5.656  20.996  10.977
  677    HB3  LEU 213           HB1      LEU 213  -5.498  19.767  12.218
  678    HG   LEU 213           HG       LEU 213  -3.802  21.191  13.355
  679   HD11  LEU 213          1HD1      LEU 213  -3.046  22.466  11.418
  680   HD12  LEU 213          2HD1      LEU 213  -3.603  23.535  12.705
  681   HD13  LEU 213          3HD1      LEU 213  -4.627  23.238  11.300
  682   HD21  LEU 213          3HD2      LEU 213  -6.484  22.483  12.878
  683   HD22  LEU 213          1HD2      LEU 213  -5.405  22.804  14.237
  684   HD23  LEU 213          2HD2      LEU 213  -6.139  21.211  14.049
  685    H    LYS 214           H        LYS 214  -4.196  17.665  12.009
  686    HA   LYS 214           HA       LYS 214  -1.567  17.650  13.310
  687    HB2  LYS 214           HB2      LYS 214  -2.601  16.703  15.359
  688    HB3  LYS 214           HB1      LYS 214  -3.119  18.346  15.024
  689    HG2  LYS 214           HG2      LYS 214  -4.775  16.005  14.161
  690    HG3  LYS 214           HG1      LYS 214  -4.856  16.624  15.809
  691    HD2  LYS 214           HD2      LYS 214  -5.510  18.812  14.985
  692    HD3  LYS 214           HD1      LYS 214  -5.341  18.257  13.319
  693    HE2  LYS 214           HE2      LYS 214  -7.261  17.075  15.318
  694    HE3  LYS 214           HE1      LYS 214  -7.693  18.315  14.140
  695    HZ1  LYS 214           HZ1      LYS 214  -6.629  15.618  13.459
  696    HZ2  LYS 214           HZ2      LYS 214  -7.137  16.809  12.359
  697    HZ3  LYS 214           HZ3      LYS 214  -8.261  16.072  13.389
  698    H    ALA 215           H        ALA 215  -1.808  16.345  11.026
  699    HA   ALA 215           HA       ALA 215  -2.665  13.612  11.391
  700    HB1  ALA 215           HB1      ALA 215  -1.798  13.254   9.140
  701    HB2  ALA 215           HB2      ALA 215  -1.054  14.854   9.160
  702    HB3  ALA 215           HB3      ALA 215  -2.811  14.697   9.197
  703    H    ASP 216           H        ASP 216   0.119  15.466  11.970
  704    HA   ASP 216           HA       ASP 216   1.987  13.269  12.016
  705    HB2  ASP 216           HB2      ASP 216   3.517  15.003  13.000
  706    HB3  ASP 216           HB1      ASP 216   2.836  15.446  11.437
  707    H    SER 217           H        SER 217   0.495  15.401  14.429
  708    HA   SER 217           HA       SER 217   0.104  13.334  16.319
  709    HB2  SER 217           HB2      SER 217   2.540  13.528  16.598
  710    HB3  SER 217           HB1      SER 217   2.380  15.260  16.881
  711    HG   SER 217           HG       SER 217   1.103  13.294  18.492
  712    H    GLY 218           H        GLY 218   0.925  16.805  16.292
  713    HA2  GLY 218           HA2      GLY 218  -0.300  18.638  16.957
  714    HA3  GLY 218           HA1      GLY 218  -1.729  17.609  16.985
  715    H    VAL 219           H        VAL 219  -2.057  16.259  18.857
  716    HA   VAL 219           HA       VAL 219  -0.673  17.226  21.269
  717    HB   VAL 219           HB       VAL 219  -2.982  18.103  21.141
  718   HG11  VAL 219          1HG1      VAL 219  -4.034  16.331  19.875
  719   HG12  VAL 219          2HG1      VAL 219  -4.889  16.580  21.398
  720   HG13  VAL 219          3HG1      VAL 219  -3.800  15.205  21.213
  721   HG21  VAL 219          3HG2      VAL 219  -1.998  17.770  23.319
  722   HG22  VAL 219          1HG2      VAL 219  -2.512  16.082  23.327
  723   HG23  VAL 219          2HG2      VAL 219  -3.715  17.371  23.377
  724    H    HIS 220           H        HIS 220  -1.710  14.584  19.355
  725    HA   HIS 220           HA       HIS 220  -0.416  12.696  21.100
  726    HB2  HIS 220           HB2      HIS 220  -2.742  12.853  22.019
  727    HB3  HIS 220           HB1      HIS 220  -3.349  12.299  20.463
  728    HD1  HIS 220           HD1      HIS 220  -3.405   9.809  20.073
  729    HD2  HIS 220           HD2      HIS 220  -1.185  10.872  23.430
  730    HE1  HIS 220           HE1      HIS 220  -2.842   7.645  21.232
  731    HE2  HIS 220           HE2      HIS 220  -1.564   8.317  23.303
  732    H1   SER 454           HT1      SER 454  17.431  26.439 -16.019
  733    H2   SER 454           HT2      SER 454  17.523  25.360 -17.321
  734    H3   SER 454           HT3      SER 454  17.391  27.024 -17.610
  735    HA   SER 454           HA       SER 454  19.628  26.350 -17.993
  736    HB2  SER 454           HB2      SER 454  20.751  27.788 -16.222
  737    HB3  SER 454           HB1      SER 454  19.417  28.556 -17.087
  738    HG   SER 454           HG       SER 454  18.900  28.965 -15.038
  739    H    ASN 455           H        ASN 455  18.993  25.925 -14.505
  740    HA   ASN 455           HA       ASN 455  20.828  23.638 -14.520
  741    HB2  ASN 455           HB2      ASN 455  19.833  25.476 -12.380
  742    HB3  ASN 455           HB1      ASN 455  20.310  23.842 -11.931
  743   HD21  ASN 455          1HD2      ASN 455  21.395  26.963 -12.958
  744   HD22  ASN 455          2HD2      ASN 455  23.092  26.641 -12.801
  745    H    ALA 456           H        ALA 456  19.988  21.694 -14.725
  746    HA   ALA 456           HA       ALA 456  17.163  21.223 -14.335
  747    HB1  ALA 456           HB1      ALA 456  17.650  18.966 -15.130
  748    HB2  ALA 456           HB2      ALA 456  19.379  19.301 -15.054
  749    HB3  ALA 456           HB3      ALA 456  18.361  20.174 -16.200
  750    H    SER 457           H        SER 457  16.469  19.282 -13.054
  751    HA   SER 457           HA       SER 457  17.632  19.418 -10.412
  752    HB2  SER 457           HB2      SER 457  15.178  19.402 -10.696
  753    HB3  SER 457           HB1      SER 457  15.279  17.799 -11.423
  754    HG   SER 457           HG       SER 457  16.493  17.380  -9.271
  755    H    LYS 458           H        LYS 458  18.720  17.973 -12.968
  756    HA   LYS 458           HA       LYS 458  20.002  16.177 -13.472
  757    HB2  LYS 458           HB2      LYS 458  20.109  15.728 -10.482
  758    HB3  LYS 458           HB1      LYS 458  21.222  15.079 -11.680
  759    HG2  LYS 458           HG2      LYS 458  21.897  17.397 -12.242
  760    HG3  LYS 458           HG1      LYS 458  20.871  17.974 -10.926
  761    HD2  LYS 458           HD2      LYS 458  22.195  16.534  -9.369
  762    HD3  LYS 458           HD1      LYS 458  23.283  16.173 -10.711
  763    HE2  LYS 458           HE2      LYS 458  22.742  18.868  -9.472
  764    HE3  LYS 458           HE1      LYS 458  24.235  17.938  -9.385
  765    HZ1  LYS 458           HZ1      LYS 458  23.071  19.295 -11.749
  766    HZ2  LYS 458           HZ2      LYS 458  24.311  18.145 -11.882
  767    HZ3  LYS 458           HZ3      LYS 458  24.574  19.578 -11.014
  768    H    HIS 459           H        HIS 459  20.110  13.655 -11.959
  769    HA   HIS 459           HA       HIS 459  17.345  12.735 -12.312
  770    HB2  HIS 459           HB2      HIS 459  19.848  11.422 -13.365
  771    HB3  HIS 459           HB1      HIS 459  18.311  10.578 -13.219
  772    HD1  HIS 459           HD1      HIS 459  16.295  11.635 -14.676
  773    HD2  HIS 459           HD2      HIS 459  20.143  12.880 -15.650
  774    HE1  HIS 459           HE1      HIS 459  16.128  12.635 -16.981
  775    HE2  HIS 459           HE2      HIS 459  18.492  13.230 -17.611
  776    H    GLY 460           H        GLY 460  16.571  11.461 -10.774
  777    HA2  GLY 460           HA2      GLY 460  17.286   9.616  -9.151
  778    HA3  GLY 460           HA1      GLY 460  18.387  10.844  -8.543
  779    H    VAL 461           H        VAL 461  15.251   9.553  -8.381
  780    HA   VAL 461           HA       VAL 461  14.021  11.919  -7.271
  781    HB   VAL 461           HB       VAL 461  12.059  10.533  -6.864
  782   HG11  VAL 461          1HG1      VAL 461  13.265  10.052  -9.585
  783   HG12  VAL 461          2HG1      VAL 461  12.364  11.481  -9.078
  784   HG13  VAL 461          3HG1      VAL 461  11.555   9.917  -9.176
  785   HG21  VAL 461          3HG2      VAL 461  13.150   8.465  -6.192
  786   HG22  VAL 461          1HG2      VAL 461  13.738   8.223  -7.837
  787   HG23  VAL 461          2HG2      VAL 461  12.007   8.171  -7.501
  788    H    GLY 462           H        GLY 462  15.747   9.168  -6.092
  789    HA2  GLY 462           HA2      GLY 462  16.713   9.781  -3.803
  790    HA3  GLY 462           HA1      GLY 462  15.023   9.861  -3.324
  791    H    THR 463           H        THR 463  15.844   8.225  -1.742
  792    HA   THR 463           HA       THR 463  16.663   5.650  -2.569
  793    HB   THR 463           HB       THR 463  15.859   4.991  -0.220
  794    HG1  THR 463           HG1      THR 463  14.530   7.143  -0.286
  795   HG21  THR 463          3HG2      THR 463  17.765   6.140   0.840
  796   HG22  THR 463          1HG2      THR 463  17.899   7.185  -0.574
  797   HG23  THR 463          2HG2      THR 463  18.186   5.451  -0.728
  798    H    GLU 464           H        GLU 464  13.625   7.158  -2.579
  799    HA   GLU 464           HA       GLU 464  11.851   5.056  -2.230
  800    HB2  GLU 464           HB2      GLU 464  11.612   7.401  -4.127
  801    HB3  GLU 464           HB1      GLU 464  10.286   6.362  -3.630
  802    HG2  GLU 464           HG2      GLU 464  10.049   8.242  -2.293
  803    HG3  GLU 464           HG1      GLU 464  10.857   7.083  -1.243
  804    H    SER 465           H        SER 465  13.766   5.960  -5.039
  805    HA   SER 465           HA       SER 465  12.539   4.286  -6.930
  806    HB2  SER 465           HB2      SER 465  14.159   6.078  -7.506
  807    HB3  SER 465           HB1      SER 465  15.453   5.114  -6.795
  808    HG   SER 465           HG       SER 465  15.316   3.673  -8.424
  809    H    LEU 466           H        LEU 466  15.206   3.716  -4.669
  810    HA   LEU 466           HA       LEU 466  15.785   1.072  -5.453
  811    HB2  LEU 466           HB2      LEU 466  17.264   2.482  -4.058
  812    HB3  LEU 466           HB1      LEU 466  16.116   2.361  -2.742
  813    HG   LEU 466           HG       LEU 466  17.348  -0.128  -3.892
  814   HD11  LEU 466          1HD1      LEU 466  18.558   1.647  -1.773
  815   HD12  LEU 466          2HD1      LEU 466  19.204   1.384  -3.393
  816   HD13  LEU 466          3HD1      LEU 466  19.137   0.049  -2.243
  817   HD21  LEU 466          3HD2      LEU 466  16.372   0.612  -1.137
  818   HD22  LEU 466          1HD2      LEU 466  16.965  -0.970  -1.647
  819   HD23  LEU 466          2HD2      LEU 466  15.473  -0.324  -2.333
  820    H    PHE 467           H        PHE 467  13.650   2.388  -2.939
  821    HA   PHE 467           HA       PHE 467  12.686   0.034  -1.874
  822    HB2  PHE 467           HB2      PHE 467  12.106   2.165  -0.906
  823    HB3  PHE 467           HB1      PHE 467  11.236   2.639  -2.361
  824    HD1  PHE 467           HD1      PHE 467  11.231   0.069   0.332
  825    HD2  PHE 467           HD2      PHE 467   8.957   2.289  -2.497
  826    HE1  PHE 467           HE1      PHE 467   9.158  -0.849   1.283
  827    HE2  PHE 467           HE2      PHE 467   6.879   1.372  -1.553
  828    HZ   PHE 467           HZ       PHE 467   6.979  -0.198   0.341
  829    H    PHE 468           H        PHE 468  11.160   1.869  -4.551
  830    HA   PHE 468           HA       PHE 468   9.129  -0.057  -4.935
  831    HB2  PHE 468           HB2      PHE 468  10.122   2.128  -6.767
  832    HB3  PHE 468           HB1      PHE 468   8.684   1.159  -7.076
  833    HD1  PHE 468           HD1      PHE 468   7.116   1.035  -4.847
  834    HD2  PHE 468           HD2      PHE 468   9.715   4.218  -5.941
  835    HE1  PHE 468           HE1      PHE 468   5.776   2.591  -3.494
  836    HE2  PHE 468           HE2      PHE 468   8.384   5.778  -4.587
  837    HZ   PHE 468           HZ       PHE 468   6.411   4.964  -3.359
  838    H    ASP 469           H        ASP 469  12.271   0.393  -6.457
  839    HA   ASP 469           HA       ASP 469  11.987  -1.514  -8.512
  840    HB2  ASP 469           HB2      ASP 469  13.830   0.093  -8.467
  841    HB3  ASP 469           HB1      ASP 469  14.462  -0.643  -7.000
  842    H    LYS 470           H        LYS 470  13.179  -1.764  -5.196
  843    HA   LYS 470           HA       LYS 470  13.743  -4.532  -5.291
  844    HB2  LYS 470           HB2      LYS 470  14.723  -2.993  -3.641
  845    HB3  LYS 470           HB1      LYS 470  13.139  -2.758  -2.920
  846    HG2  LYS 470           HG2      LYS 470  13.070  -5.002  -2.142
  847    HG3  LYS 470           HG1      LYS 470  14.506  -5.429  -3.079
  848    HD2  LYS 470           HD2      LYS 470  14.477  -3.363  -0.891
  849    HD3  LYS 470           HD1      LYS 470  14.922  -5.053  -0.632
  850    HE2  LYS 470           HE2      LYS 470  16.288  -3.110  -2.502
  851    HE3  LYS 470           HE1      LYS 470  16.900  -3.646  -0.938
  852    HZ1  LYS 470           HZ1      LYS 470  16.948  -5.926  -1.815
  853    HZ2  LYS 470           HZ2      LYS 470  17.958  -4.878  -2.685
  854    HZ3  LYS 470           HZ3      LYS 470  16.466  -5.347  -3.336
  855    H    VAL 471           H        VAL 471  10.892  -2.676  -4.235
  856    HA   VAL 471           HA       VAL 471   9.314  -4.780  -3.308
  857    HB   VAL 471           HB       VAL 471   8.461  -2.282  -4.786
  858   HG11  VAL 471          1HG1      VAL 471   6.770  -4.247  -3.242
  859   HG12  VAL 471          2HG1      VAL 471   6.705  -3.944  -4.978
  860   HG13  VAL 471          3HG1      VAL 471   6.220  -2.683  -3.845
  861   HG21  VAL 471          3HG2      VAL 471   9.606  -1.877  -2.669
  862   HG22  VAL 471          1HG2      VAL 471   8.467  -2.942  -1.847
  863   HG23  VAL 471          2HG2      VAL 471   7.900  -1.437  -2.572
  864    H    ARG 472           H        ARG 472   9.626  -3.481  -6.589
  865    HA   ARG 472           HA       ARG 472   7.771  -5.116  -7.864
  866    HB2  ARG 472           HB2      ARG 472   9.136  -3.060  -8.700
  867    HB3  ARG 472           HB1      ARG 472  10.326  -4.250  -9.194
  868    HG2  ARG 472           HG2      ARG 472   7.454  -4.274 -10.094
  869    HG3  ARG 472           HG1      ARG 472   8.766  -3.512 -10.993
  870    HD2  ARG 472           HD2      ARG 472   9.902  -5.682 -11.138
  871    HD3  ARG 472           HD1      ARG 472   8.572  -6.430 -10.256
  872    HE   ARG 472           HE       ARG 472   7.913  -5.044 -12.736
  873   HH11  ARG 472          1HH1      ARG 472   8.472  -8.076 -11.075
  874   HH12  ARG 472          2HH1      ARG 472   7.721  -9.042 -12.310
  875   HH21  ARG 472          1HH2      ARG 472   6.938  -6.285 -14.362
  876   HH22  ARG 472          2HH2      ARG 472   6.864  -8.022 -14.203
  877    H    LYS 473           H        LYS 473  11.238  -5.642  -7.269
  878    HA   LYS 473           HA       LYS 473  11.246  -8.152  -8.665
  879    HB2  LYS 473           HB2      LYS 473  13.229  -6.630  -8.451
  880    HB3  LYS 473           HB1      LYS 473  13.332  -7.091  -6.757
  881    HG2  LYS 473           HG2      LYS 473  13.720  -9.400  -7.379
  882    HG3  LYS 473           HG1      LYS 473  13.541  -8.988  -9.085
  883    HD2  LYS 473           HD2      LYS 473  15.489  -7.501  -8.915
  884    HD3  LYS 473           HD1      LYS 473  15.673  -7.952  -7.218
  885    HE2  LYS 473           HE2      LYS 473  17.216  -9.233  -8.555
  886    HE3  LYS 473           HE1      LYS 473  15.971 -10.304  -7.913
  887    HZ1  LYS 473           HZ1      LYS 473  14.817  -9.990 -10.119
  888    HZ2  LYS 473           HZ2      LYS 473  16.241 -10.901 -10.148
  889    HZ3  LYS 473           HZ3      LYS 473  16.260  -9.291 -10.685
  890    H    ALA 474           H        ALA 474  10.990  -7.165  -5.294
  891    HA   ALA 474           HA       ALA 474  11.460  -9.738  -4.186
  892    HB1  ALA 474           HB1      ALA 474  10.698  -8.787  -2.093
  893    HB2  ALA 474           HB2      ALA 474  10.031  -7.394  -2.945
  894    HB3  ALA 474           HB3      ALA 474  11.774  -7.661  -2.919
  895    H    LEU 475           H        LEU 475   8.497  -7.964  -5.002
  896    HA   LEU 475           HA       LEU 475   6.687  -9.857  -3.957
  897    HB2  LEU 475           HB2      LEU 475   6.514  -7.616  -5.897
  898    HB3  LEU 475           HB1      LEU 475   5.236  -8.813  -5.960
  899    HG   LEU 475           HG       LEU 475   4.635  -8.379  -3.660
  900   HD11  LEU 475          1HD1      LEU 475   6.851  -7.915  -2.757
  901   HD12  LEU 475          2HD1      LEU 475   5.713  -6.630  -2.351
  902   HD13  LEU 475          3HD1      LEU 475   6.896  -6.387  -3.637
  903   HD21  LEU 475          3HD2      LEU 475   3.872  -6.069  -3.865
  904   HD22  LEU 475          1HD2      LEU 475   3.647  -6.957  -5.372
  905   HD23  LEU 475          2HD2      LEU 475   4.985  -5.819  -5.210
  906    H    ARG 476           H        ARG 476   8.370  -9.625  -7.005
  907    HA   ARG 476           HA       ARG 476   8.952 -11.211  -8.520
  908    HB2  ARG 476           HB2      ARG 476   9.092 -12.612  -6.382
  909    HB3  ARG 476           HB1      ARG 476   7.529 -13.264  -6.847
  910    HG2  ARG 476           HG2      ARG 476   8.509 -14.051  -8.959
  911    HG3  ARG 476           HG1      ARG 476  10.084 -13.448  -8.432
  912    HD2  ARG 476           HD2      ARG 476   9.805 -14.909  -6.388
  913    HD3  ARG 476           HD1      ARG 476   8.429 -15.641  -7.212
  914    HE   ARG 476           HE       ARG 476  10.996 -15.617  -8.605
  915   HH11  ARG 476          1HH1      ARG 476   8.529 -17.405  -6.871
  916   HH12  ARG 476          2HH1      ARG 476   9.196 -18.961  -7.270
  917   HH21  ARG 476          1HH2      ARG 476  11.864 -17.676  -9.140
  918   HH22  ARG 476          2HH2      ARG 476  11.078 -19.112  -8.560
  919    H    SER 477           H        SER 477   5.889 -10.312  -7.879
  920    HA   SER 477           HA       SER 477   4.848 -11.704 -10.244
  921    HB2  SER 477           HB2      SER 477   3.728 -12.696  -8.385
  922    HB3  SER 477           HB1      SER 477   3.453 -11.129  -7.625
  923    HG   SER 477           HG       SER 477   2.144 -12.323  -9.807
  924    H    ALA 478           H        ALA 478   4.072 -10.430 -11.787
  925    HA   ALA 478           HA       ALA 478   4.151  -7.605 -11.599
  926    HB1  ALA 478           HB1      ALA 478   4.453  -8.785 -13.716
  927    HB2  ALA 478           HB2      ALA 478   3.120  -7.635 -13.821
  928    HB3  ALA 478           HB3      ALA 478   2.788  -9.359 -13.643
  929    H    GLU 479           H        GLU 479   1.611 -10.005 -11.260
  930    HA   GLU 479           HA       GLU 479  -0.565  -8.188 -11.160
  931    HB2  GLU 479           HB2      GLU 479  -0.261 -10.994 -10.081
  932    HB3  GLU 479           HB1      GLU 479  -1.776 -10.102 -10.085
  933    HG2  GLU 479           HG2      GLU 479  -1.745  -9.998 -12.502
  934    HG3  GLU 479           HG1      GLU 479  -0.182 -10.814 -12.535
  935    H    ALA 480           H        ALA 480   1.574  -9.580  -8.722
  936    HA   ALA 480           HA       ALA 480   0.228  -8.472  -6.481
  937    HB1  ALA 480           HB1      ALA 480   3.115  -9.302  -6.726
  938    HB2  ALA 480           HB2      ALA 480   1.775 -10.351  -6.261
  939    HB3  ALA 480           HB3      ALA 480   2.241  -9.003  -5.223
  940    H    TYR 481           H        TYR 481   2.858  -7.332  -8.551
  941    HA   TYR 481           HA       TYR 481   3.378  -4.982  -7.046
  942    HB2  TYR 481           HB2      TYR 481   4.966  -5.927  -8.712
  943    HB3  TYR 481           HB1      TYR 481   3.862  -5.444  -9.997
  944    HD1  TYR 481           HD1      TYR 481   5.863  -4.085  -7.177
  945    HD2  TYR 481           HD2      TYR 481   4.011  -3.295 -10.925
  946    HE1  TYR 481           HE1      TYR 481   6.925  -1.871  -7.224
  947    HE2  TYR 481           HE2      TYR 481   5.064  -1.073 -10.982
  948    HH   TYR 481           HH       TYR 481   6.008   0.559  -9.424
  949    H    GLU 482           H        GLU 482   1.245  -5.737  -9.755
  950    HA   GLU 482           HA       GLU 482   0.190  -3.168 -10.154
  951    HB2  GLU 482           HB2      GLU 482  -0.201  -5.139 -11.644
  952    HB3  GLU 482           HB1      GLU 482  -1.274  -5.802 -10.419
  953    HG2  GLU 482           HG2      GLU 482  -2.735  -3.863 -10.642
  954    HG3  GLU 482           HG1      GLU 482  -1.660  -3.195 -11.868
  955    H    ASN 483           H        ASN 483  -0.768  -5.794  -7.996
  956    HA   ASN 483           HA       ASN 483  -2.924  -4.685  -6.678
  957    HB2  ASN 483           HB2      ASN 483  -2.468  -6.866  -6.035
  958    HB3  ASN 483           HB1      ASN 483  -0.742  -6.567  -5.874
  959   HD21  ASN 483          1HD2      ASN 483  -3.824  -6.420  -4.315
  960   HD22  ASN 483          2HD2      ASN 483  -3.226  -6.082  -2.733
  961    H    PHE 484           H        PHE 484   0.506  -4.375  -5.795
  962    HA   PHE 484           HA       PHE 484   0.315  -2.631  -3.671
  963    HB2  PHE 484           HB2      PHE 484   2.407  -3.677  -4.311
  964    HB3  PHE 484           HB1      PHE 484   2.415  -2.816  -5.843
  965    HD1  PHE 484           HD1      PHE 484   2.566  -2.295  -2.174
  966    HD2  PHE 484           HD2      PHE 484   3.496  -0.777  -6.041
  967    HE1  PHE 484           HE1      PHE 484   3.905  -0.507  -1.145
  968    HE2  PHE 484           HE2      PHE 484   4.838   1.012  -5.016
  969    HZ   PHE 484           HZ       PHE 484   5.045   1.148  -2.565
  970    H    LEU 485           H        LEU 485   0.538  -1.853  -7.121
  971    HA   LEU 485           HA       LEU 485   0.471   0.952  -6.777
  972    HB2  LEU 485           HB2      LEU 485  -0.272  -0.723  -9.172
  973    HB3  LEU 485           HB1      LEU 485  -0.013   1.013  -9.191
  974    HG   LEU 485           HG       LEU 485   2.070  -1.079  -8.557
  975   HD11  LEU 485          1HD1      LEU 485   1.476  -1.012 -10.912
  976   HD12  LEU 485          2HD1      LEU 485   3.089  -0.350 -10.649
  977   HD13  LEU 485          3HD1      LEU 485   1.727   0.734 -10.935
  978   HD21  LEU 485          3HD2      LEU 485   3.643   0.807  -8.578
  979   HD22  LEU 485          1HD2      LEU 485   2.460   0.943  -7.277
  980   HD23  LEU 485          2HD2      LEU 485   2.286   1.923  -8.732
  981    H    ARG 486           H        ARG 486  -2.058  -1.474  -7.179
  982    HA   ARG 486           HA       ARG 486  -4.187   0.354  -7.538
  983    HB2  ARG 486           HB2      ARG 486  -4.255  -2.404  -6.326
  984    HB3  ARG 486           HB1      ARG 486  -5.665  -1.476  -6.810
  985    HG2  ARG 486           HG2      ARG 486  -4.714  -1.458  -9.139
  986    HG3  ARG 486           HG1      ARG 486  -3.530  -2.639  -8.567
  987    HD2  ARG 486           HD2      ARG 486  -5.787  -3.754  -7.640
  988    HD3  ARG 486           HD1      ARG 486  -6.419  -2.925  -9.060
  989    HE   ARG 486           HE       ARG 486  -4.698  -4.178 -10.346
  990   HH11  ARG 486          1HH1      ARG 486  -5.847  -5.349  -7.258
  991   HH12  ARG 486          2HH1      ARG 486  -5.498  -7.015  -7.616
  992   HH21  ARG 486          1HH2      ARG 486  -4.240  -6.357 -10.842
  993   HH22  ARG 486          2HH2      ARG 486  -4.587  -7.600  -9.660
  994    H    CYS 487           H        CYS 487  -2.696  -1.068  -4.671
  995    HA   CYS 487           HA       CYS 487  -4.368   0.087  -2.742
  996    HB2  CYS 487           HB2      CYS 487  -1.402  -0.507  -2.581
  997    HB3  CYS 487           HB1      CYS 487  -2.455  -0.207  -1.204
  998    HG   CYS 487           HG       CYS 487  -2.324  -2.944  -3.224
  999    H    LEU 488           H        LEU 488  -1.628   1.346  -4.551
 1000    HA   LEU 488           HA       LEU 488  -1.342   3.741  -3.075
 1001    HB2  LEU 488           HB2      LEU 488  -0.558   3.142  -5.921
 1002    HB3  LEU 488           HB1      LEU 488  -0.012   4.511  -4.981
 1003    HG   LEU 488           HG       LEU 488   0.638   1.611  -4.492
 1004   HD11  LEU 488          1HD1      LEU 488   2.928   2.336  -4.919
 1005   HD12  LEU 488          2HD1      LEU 488   2.355   3.974  -5.238
 1006   HD13  LEU 488          3HD1      LEU 488   1.883   2.650  -6.307
 1007   HD21  LEU 488          3HD2      LEU 488   0.303   2.768  -2.366
 1008   HD22  LEU 488          1HD2      LEU 488   1.421   4.034  -2.874
 1009   HD23  LEU 488          2HD2      LEU 488   2.005   2.386  -2.627
 1010    H    VAL 489           H        VAL 489  -3.098   2.996  -6.107
 1011    HA   VAL 489           HA       VAL 489  -3.876   5.672  -6.572
 1012    HB   VAL 489           HB       VAL 489  -5.677   4.740  -8.043
 1013   HG11  VAL 489          1HG1      VAL 489  -3.502   5.296  -8.939
 1014   HG12  VAL 489          2HG1      VAL 489  -4.118   3.838  -9.718
 1015   HG13  VAL 489          3HG1      VAL 489  -2.876   3.715  -8.471
 1016   HG21  VAL 489          3HG2      VAL 489  -6.212   2.668  -7.021
 1017   HG22  VAL 489          1HG2      VAL 489  -4.534   2.129  -7.092
 1018   HG23  VAL 489          2HG2      VAL 489  -5.474   2.287  -8.578
 1019    H    ILE 490           H        ILE 490  -5.534   3.022  -4.858
 1020    HA   ILE 490           HA       ILE 490  -7.865   4.578  -4.377
 1021    HB   ILE 490           HB       ILE 490  -8.480   2.896  -2.685
 1022   HG12  ILE 490          2HG1      ILE 490  -5.779   1.703  -3.344
 1023   HG13  ILE 490          1HG1      ILE 490  -6.306   2.317  -1.780
 1024   HG21  ILE 490          1HG2      ILE 490  -9.052   2.554  -5.016
 1025   HG22  ILE 490          2HG2      ILE 490  -8.686   1.013  -4.240
 1026   HG23  ILE 490          3HG2      ILE 490  -7.498   1.768  -5.301
 1027   HD11  ILE 490          3HD1      ILE 490  -8.025   0.537  -1.712
 1028   HD12  ILE 490          1HD1      ILE 490  -6.370  -0.079  -1.761
 1029   HD13  ILE 490          2HD1      ILE 490  -7.361  -0.106  -3.220
 1030    H    PHE 491           H        PHE 491  -4.840   4.146  -2.633
 1031    HA   PHE 491           HA       PHE 491  -5.544   5.617  -0.328
 1032    HB2  PHE 491           HB2      PHE 491  -3.511   4.286  -0.397
 1033    HB3  PHE 491           HB1      PHE 491  -2.875   5.266  -1.711
 1034    HD1  PHE 491           HD2      PHE 491  -3.883   5.397   1.857
 1035    HD2  PHE 491           HD1      PHE 491  -1.611   7.171  -1.274
 1036    HE1  PHE 491           HE2      PHE 491  -2.798   6.882   3.492
 1037    HE2  PHE 491           HE1      PHE 491  -0.518   8.658   0.353
 1038    HZ   PHE 491           HZ       PHE 491  -1.112   8.517   2.740
 1039    H    ASN 492           H        ASN 492  -4.200   6.559  -3.449
 1040    HA   ASN 492           HA       ASN 492  -3.863   9.310  -2.826
 1041    HB2  ASN 492           HB2      ASN 492  -2.680   8.058  -4.652
 1042    HB3  ASN 492           HB1      ASN 492  -4.189   8.050  -5.558
 1043   HD21  ASN 492          1HD2      ASN 492  -4.785   9.839  -6.682
 1044   HD22  ASN 492          2HD2      ASN 492  -3.821  11.273  -6.779
 1045    H    GLN 493           H        GLN 493  -6.599   7.440  -3.588
 1046    HA   GLN 493           HA       GLN 493  -8.156   9.793  -4.381
 1047    HB2  GLN 493           HB2      GLN 493  -8.770   6.841  -4.499
 1048    HB3  GLN 493           HB1      GLN 493  -9.950   8.091  -4.874
 1049    HG2  GLN 493           HG2      GLN 493  -8.589   8.874  -6.708
 1050    HG3  GLN 493           HG1      GLN 493  -7.323   7.719  -6.299
 1051   HE21  GLN 493          1HE2      GLN 493  -7.394   6.740  -8.290
 1052   HE22  GLN 493          2HE2      GLN 493  -8.704   5.729  -8.797
 1053    H    GLU 494           H        GLU 494  -7.185   8.846  -1.591
 1054    HA   GLU 494           HA       GLU 494  -7.901   9.166   0.548
 1055    HB2  GLU 494           HB2      GLU 494 -10.362  10.308  -0.792
 1056    HB3  GLU 494           HB1      GLU 494 -10.014  10.417   0.926
 1057    HG2  GLU 494           HG2      GLU 494  -8.110  11.798   0.522
 1058    HG3  GLU 494           HG1      GLU 494  -8.233  11.549  -1.218
 1059    H    VAL 495           H        VAL 495  -8.880   6.829  -1.301
 1060    HA   VAL 495           HA       VAL 495 -11.355   5.955  -0.187
 1061    HB   VAL 495           HB       VAL 495  -9.262   4.474  -1.784
 1062   HG11  VAL 495          1HG1      VAL 495 -10.974   2.747  -2.124
 1063   HG12  VAL 495          2HG1      VAL 495 -12.024   3.581  -0.977
 1064   HG13  VAL 495          3HG1      VAL 495 -10.496   2.888  -0.431
 1065   HG21  VAL 495          3HG2      VAL 495 -11.962   5.566  -2.576
 1066   HG22  VAL 495          1HG2      VAL 495 -10.841   4.704  -3.628
 1067   HG23  VAL 495          2HG2      VAL 495 -10.405   6.286  -2.982
 1068    H    ILE 496           H        ILE 496  -7.973   4.987   0.311
 1069    HA   ILE 496           HA       ILE 496  -8.848   3.649   2.783
 1070    HB   ILE 496           HB       ILE 496  -6.804   2.310   2.705
 1071   HG12  ILE 496          2HG1      ILE 496  -6.295   3.612   0.019
 1072   HG13  ILE 496          1HG1      ILE 496  -5.397   3.963   1.493
 1073   HG21  ILE 496          1HG2      ILE 496  -8.343   2.186   0.113
 1074   HG22  ILE 496          2HG2      ILE 496  -8.832   1.458   1.645
 1075   HG23  ILE 496          3HG2      ILE 496  -7.383   0.885   0.819
 1076   HD11  ILE 496          3HD1      ILE 496  -4.630   1.644   1.569
 1077   HD12  ILE 496          1HD1      ILE 496  -4.167   2.442   0.066
 1078   HD13  ILE 496          2HD1      ILE 496  -5.518   1.309   0.082
 1079    H    SER 497           H        SER 497  -6.783   3.548   4.338
 1080    HA   SER 497           HA       SER 497  -5.727   6.289   4.513
 1081    HB2  SER 497           HB2      SER 497  -6.418   4.446   6.816
 1082    HB3  SER 497           HB1      SER 497  -5.828   6.103   6.943
 1083    HG   SER 497           HG       SER 497  -8.135   5.608   5.436
 1084    H    ARG 498           H        ARG 498  -3.715   6.350   5.940
 1085    HA   ARG 498           HA       ARG 498  -1.628   4.959   4.832
 1086    HB2  ARG 498           HB2      ARG 498  -1.300   6.950   6.185
 1087    HB3  ARG 498           HB1      ARG 498  -1.827   6.093   7.626
 1088    HG2  ARG 498           HG2      ARG 498   0.120   4.619   7.466
 1089    HG3  ARG 498           HG1      ARG 498   0.641   5.483   6.016
 1090    HD2  ARG 498           HD2      ARG 498   1.818   6.216   8.062
 1091    HD3  ARG 498           HD1      ARG 498   0.941   7.513   7.253
 1092    HE   ARG 498           HE       ARG 498  -0.670   6.328   9.267
 1093   HH11  ARG 498          1HH1      ARG 498   2.092   8.439   8.849
 1094   HH12  ARG 498          2HH1      ARG 498   1.785   9.349  10.300
 1095   HH21  ARG 498          1HH2      ARG 498  -1.079   7.497  11.173
 1096   HH22  ARG 498          2HH2      ARG 498  -0.032   8.809  11.634
 1097    H    ALA 499           H        ALA 499  -3.108   4.228   8.001
 1098    HA   ALA 499           HA       ALA 499  -1.635   1.929   8.543
 1099    HB1  ALA 499           HB1      ALA 499  -3.352   1.374  10.159
 1100    HB2  ALA 499           HB2      ALA 499  -4.466   2.509   9.399
 1101    HB3  ALA 499           HB3      ALA 499  -3.014   3.106  10.202
 1102    H    GLU 500           H        GLU 500  -4.747   2.272   6.892
 1103    HA   GLU 500           HA       GLU 500  -5.354  -0.398   6.459
 1104    HB2  GLU 500           HB2      GLU 500  -5.842   1.817   4.464
 1105    HB3  GLU 500           HB1      GLU 500  -6.776   0.344   4.670
 1106    HG2  GLU 500           HG2      GLU 500  -6.601   2.633   6.616
 1107    HG3  GLU 500           HG1      GLU 500  -7.962   2.252   5.564
 1108    H    LEU 501           H        LEU 501  -3.500   1.830   4.431
 1109    HA   LEU 501           HA       LEU 501  -2.839   0.026   2.381
 1110    HB2  LEU 501           HB2      LEU 501  -2.681   2.456   2.177
 1111    HB3  LEU 501           HB1      LEU 501  -1.391   2.488   3.359
 1112    HG   LEU 501           HG       LEU 501  -1.043   0.944   0.809
 1113   HD11  LEU 501          1HD1      LEU 501  -0.060   2.952  -0.198
 1114   HD12  LEU 501          2HD1      LEU 501  -0.575   3.900   1.198
 1115   HD13  LEU 501          3HD1      LEU 501  -1.778   3.173   0.132
 1116   HD21  LEU 501          3HD2      LEU 501   1.293   1.475   1.213
 1117   HD22  LEU 501          1HD2      LEU 501   0.569   0.660   2.600
 1118   HD23  LEU 501          2HD2      LEU 501   0.840   2.403   2.644
 1119    H    VAL 502           H        VAL 502  -1.096   0.936   5.327
 1120    HA   VAL 502           HA       VAL 502   1.237  -0.544   4.858
 1121    HB   VAL 502           HB       VAL 502  -0.048   0.257   7.481
 1122   HG11  VAL 502          1HG1      VAL 502   1.502  -1.562   7.888
 1123   HG12  VAL 502          2HG1      VAL 502   2.184  -0.040   8.467
 1124   HG13  VAL 502          3HG1      VAL 502   2.747  -0.738   6.949
 1125   HG21  VAL 502          3HG2      VAL 502   1.657   2.050   7.437
 1126   HG22  VAL 502          1HG2      VAL 502   0.509   2.160   6.101
 1127   HG23  VAL 502          2HG2      VAL 502   2.130   1.524   5.822
 1128    H    GLN 503           H        GLN 503  -1.855  -1.488   6.276
 1129    HA   GLN 503           HA       GLN 503  -0.889  -4.106   7.010
 1130    HB2  GLN 503           HB2      GLN 503  -3.669  -2.926   7.023
 1131    HB3  GLN 503           HB1      GLN 503  -3.269  -4.532   7.621
 1132    HG2  GLN 503           HG2      GLN 503  -1.730  -3.493   9.256
 1133    HG3  GLN 503           HG1      GLN 503  -2.261  -1.907   8.699
 1134   HE21  GLN 503          1HE2      GLN 503  -3.134  -4.786  10.429
 1135   HE22  GLN 503          2HE2      GLN 503  -4.558  -4.141  11.176
 1136    H    LEU 504           H        LEU 504  -2.501  -2.668   4.277
 1137    HA   LEU 504           HA       LEU 504  -3.594  -4.989   3.132
 1138    HB2  LEU 504           HB2      LEU 504  -2.756  -2.314   2.092
 1139    HB3  LEU 504           HB1      LEU 504  -3.247  -3.569   0.985
 1140    HG   LEU 504           HG       LEU 504  -4.941  -2.397   3.181
 1141   HD11  LEU 504          1HD1      LEU 504  -6.267  -1.500   1.320
 1142   HD12  LEU 504          2HD1      LEU 504  -5.078  -2.133   0.180
 1143   HD13  LEU 504          3HD1      LEU 504  -4.621  -0.867   1.321
 1144   HD21  LEU 504          3HD2      LEU 504  -6.738  -3.750   2.238
 1145   HD22  LEU 504          1HD2      LEU 504  -5.415  -4.765   2.811
 1146   HD23  LEU 504          2HD2      LEU 504  -5.606  -4.460   1.084
 1147    H    VAL 505           H        VAL 505  -0.454  -3.430   2.794
 1148    HA   VAL 505           HA       VAL 505   0.380  -5.297   0.753
 1149    HB   VAL 505           HB       VAL 505   0.965  -2.820   0.853
 1150   HG11  VAL 505          1HG1      VAL 505   1.638  -2.657   3.156
 1151   HG12  VAL 505          2HG1      VAL 505   2.987  -2.217   2.108
 1152   HG13  VAL 505          3HG1      VAL 505   2.954  -3.799   2.885
 1153   HG21  VAL 505          3HG2      VAL 505   1.997  -4.379  -0.718
 1154   HG22  VAL 505          1HG2      VAL 505   3.230  -4.768   0.483
 1155   HG23  VAL 505          2HG2      VAL 505   3.134  -3.139  -0.185
 1156    H    SER 506           H        SER 506  -0.091  -5.881   3.798
 1157    HA   SER 506           HA       SER 506   2.334  -6.680   4.934
 1158    HB2  SER 506           HB2      SER 506   0.263  -6.412   6.221
 1159    HB3  SER 506           HB1      SER 506  -0.422  -7.830   5.427
 1160    HG   SER 506           HG       SER 506   0.593  -9.030   6.809
 1161    HA   PRO 507           HA       PRO 507   1.484 -11.173   3.097
 1162    HB2  PRO 507           HB2      PRO 507   0.113 -11.024   0.690
 1163    HB3  PRO 507           HB1      PRO 507  -0.555 -11.591   2.218
 1164    HG2  PRO 507           HG2      PRO 507  -0.831  -8.944   0.890
 1165    HG3  PRO 507           HG1      PRO 507  -2.001  -9.838   1.875
 1166    HD2  PRO 507           HD2      PRO 507  -0.642  -7.709   2.820
 1167    HD3  PRO 507           HD1      PRO 507  -1.111  -9.073   3.854
 1168    H    PHE 508           H        PHE 508   2.345  -8.228   1.686
 1169    HA   PHE 508           HA       PHE 508   3.862  -9.581  -0.438
 1170    HB2  PHE 508           HB2      PHE 508   3.038  -6.675  -0.290
 1171    HB3  PHE 508           HB1      PHE 508   3.846  -7.463  -1.642
 1172    HD1  PHE 508           HD1      PHE 508   2.642  -9.053  -3.052
 1173    HD2  PHE 508           HD2      PHE 508   0.688  -6.969   0.100
 1174    HE1  PHE 508           HE1      PHE 508   0.459  -9.686  -3.990
 1175    HE2  PHE 508           HE2      PHE 508  -1.498  -7.596  -0.834
 1176    HZ   PHE 508           HZ       PHE 508  -1.616  -8.959  -2.881
 1177    H    LEU 509           H        LEU 509   4.149  -6.687   1.661
 1178    HA   LEU 509           HA       LEU 509   7.059  -6.889   1.394
 1179    HB2  LEU 509           HB2      LEU 509   5.361  -4.673   2.543
 1180    HB3  LEU 509           HB1      LEU 509   7.102  -4.620   2.343
 1181    HG   LEU 509           HG       LEU 509   5.041  -4.728   0.144
 1182   HD11  LEU 509          1HD1      LEU 509   5.235  -2.551   1.191
 1183   HD12  LEU 509          2HD1      LEU 509   5.934  -2.522  -0.428
 1184   HD13  LEU 509          3HD1      LEU 509   6.987  -2.587   0.985
 1185   HD21  LEU 509          3HD2      LEU 509   6.987  -6.037  -0.480
 1186   HD22  LEU 509          1HD2      LEU 509   8.049  -4.700  -0.036
 1187   HD23  LEU 509          2HD2      LEU 509   6.934  -4.528  -1.392
 1188    H    GLY 510           H        GLY 510   4.607  -7.673   3.606
 1189    HA2  GLY 510           HA2      GLY 510   5.866  -7.030   6.055
 1190    HA3  GLY 510           HA1      GLY 510   4.597  -8.225   5.840
 1191    H    LYS 511           H        LYS 511   6.483  -9.502   3.790
 1192    HA   LYS 511           HA       LYS 511   7.739 -11.283   5.689
 1193    HB2  LYS 511           HB2      LYS 511   7.555 -11.360   2.675
 1194    HB3  LYS 511           HB1      LYS 511   8.294 -12.616   3.659
 1195    HG2  LYS 511           HG2      LYS 511   6.329 -13.570   3.945
 1196    HG3  LYS 511           HG1      LYS 511   5.699 -12.096   4.681
 1197    HD2  LYS 511           HD2      LYS 511   4.334 -12.757   2.785
 1198    HD3  LYS 511           HD1      LYS 511   5.151 -11.230   2.455
 1199    HE2  LYS 511           HE2      LYS 511   6.764 -12.317   1.062
 1200    HE3  LYS 511           HE1      LYS 511   6.169 -13.910   1.528
 1201    HZ1  LYS 511           HZ1      LYS 511   5.399 -13.100  -0.685
 1202    HZ2  LYS 511           HZ2      LYS 511   4.499 -11.909   0.116
 1203    HZ3  LYS 511           HZ3      LYS 511   4.154 -13.548   0.374
 1204    H    PHE 512           H        PHE 512   8.601  -8.450   4.253
 1205    HA   PHE 512           HA       PHE 512  11.465  -9.139   4.372
 1206    HB2  PHE 512           HB2      PHE 512  10.188  -7.050   2.590
 1207    HB3  PHE 512           HB1      PHE 512  11.897  -7.465   2.647
 1208    HD1  PHE 512           HD1      PHE 512  12.659  -9.667   1.807
 1209    HD2  PHE 512           HD2      PHE 512   8.644  -8.333   1.327
 1210    HE1  PHE 512           HE1      PHE 512  12.307 -11.357   0.052
 1211    HE2  PHE 512           HE2      PHE 512   8.287 -10.020  -0.426
 1212    HZ   PHE 512           HZ       PHE 512  10.122 -11.535  -1.067
 1213    HA   PRO 513           HA       PRO 513  10.624  -6.438   7.931
 1214    HB2  PRO 513           HB2      PRO 513  13.312  -6.580   8.739
 1215    HB3  PRO 513           HB1      PRO 513  11.982  -7.578   9.326
 1216    HG2  PRO 513           HG2      PRO 513  14.039  -8.184   7.271
 1217    HG3  PRO 513           HG1      PRO 513  13.243  -9.271   8.422
 1218    HD2  PRO 513           HD2      PRO 513  12.595  -9.250   5.817
 1219    HD3  PRO 513           HD1      PRO 513  11.372  -9.522   7.077
 1220    H    GLU 514           H        GLU 514  13.675  -6.115   6.097
 1221    HA   GLU 514           HA       GLU 514  14.152  -3.440   6.769
 1222    HB2  GLU 514           HB2      GLU 514  15.699  -3.430   4.850
 1223    HB3  GLU 514           HB1      GLU 514  15.891  -4.863   5.849
 1224    HG2  GLU 514           HG2      GLU 514  14.547  -6.141   4.228
 1225    HG3  GLU 514           HG1      GLU 514  14.440  -4.701   3.215
 1226    H    LEU 515           H        LEU 515  12.289  -4.856   4.148
 1227    HA   LEU 515           HA       LEU 515  12.065  -2.395   2.692
 1228    HB2  LEU 515           HB2      LEU 515  12.068  -4.809   1.787
 1229    HB3  LEU 515           HB1      LEU 515  10.387  -4.854   2.281
 1230    HG   LEU 515           HG       LEU 515   9.871  -3.012   0.765
 1231   HD11  LEU 515          1HD1      LEU 515  12.778  -3.188  -0.018
 1232   HD12  LEU 515          2HD1      LEU 515  12.023  -1.855   0.857
 1233   HD13  LEU 515          3HD1      LEU 515  11.553  -2.196  -0.808
 1234   HD21  LEU 515          3HD2      LEU 515  11.408  -5.249  -0.546
 1235   HD22  LEU 515          1HD2      LEU 515  10.223  -4.210  -1.338
 1236   HD23  LEU 515          2HD2      LEU 515   9.716  -5.305  -0.051
 1237    H    PHE 516           H        PHE 516   9.976  -4.363   4.753
 1238    HA   PHE 516           HA       PHE 516   7.668  -2.736   4.520
 1239    HB2  PHE 516           HB2      PHE 516   7.862  -5.136   5.411
 1240    HB3  PHE 516           HB1      PHE 516   8.384  -4.410   6.926
 1241    HD1  PHE 516           HD2      PHE 516   5.613  -4.233   4.448
 1242    HD2  PHE 516           HD1      PHE 516   6.791  -3.898   8.524
 1243    HE1  PHE 516           HE2      PHE 516   3.258  -3.980   5.101
 1244    HE2  PHE 516           HE1      PHE 516   4.432  -3.645   9.184
 1245    HZ   PHE 516           HZ       PHE 516   2.662  -3.689   7.472
 1246    H    ASN 517           H        ASN 517  10.404  -2.793   6.736
 1247    HA   ASN 517           HA       ASN 517   9.537  -0.765   8.492
 1248    HB2  ASN 517           HB2      ASN 517  11.376  -2.334   9.005
 1249    HB3  ASN 517           HB1      ASN 517  12.361  -1.574   7.762
 1250   HD21  ASN 517          1HD2      ASN 517  13.951  -1.046   9.255
 1251   HD22  ASN 517          2HD2      ASN 517  13.748   0.237  10.400
 1252    H    TRP 518           H        TRP 518  11.327  -0.681   5.452
 1253    HA   TRP 518           HA       TRP 518  11.987   2.042   5.377
 1254    HB2  TRP 518           HB2      TRP 518  12.711   0.221   3.763
 1255    HB3  TRP 518           HB1      TRP 518  11.126   0.347   3.016
 1256    HD1  TRP 518           HD1      TRP 518  14.552   1.702   2.788
 1257    HE1  TRP 518           HE1      TRP 518  14.642   3.685   1.148
 1258    HE3  TRP 518           HE3      TRP 518   9.531   2.604   2.276
 1259    HZ2  TRP 518           HZ2      TRP 518  12.846   5.405  -0.167
 1260    HZ3  TRP 518           HZ3      TRP 518   8.814   4.436   0.806
 1261    HH2  TRP 518           HH2      TRP 518  10.437   5.807  -0.389
 1262    H    PHE 519           H        PHE 519   9.107   0.317   4.237
 1263    HA   PHE 519           HA       PHE 519   7.762   2.536   3.183
 1264    HB2  PHE 519           HB2      PHE 519   7.350  -0.084   3.041
 1265    HB3  PHE 519           HB1      PHE 519   6.231   0.255   4.351
 1266    HD1  PHE 519           HD1      PHE 519   6.686   2.839   1.813
 1267    HD2  PHE 519           HD2      PHE 519   4.425  -0.600   2.919
 1268    HE1  PHE 519           HE1      PHE 519   4.993   3.417   0.146
 1269    HE2  PHE 519           HE2      PHE 519   2.735  -0.017   1.249
 1270    HZ   PHE 519           HZ       PHE 519   3.010   1.991  -0.140
 1271    H    LYS 520           H        LYS 520   7.629   1.017   6.360
 1272    HA   LYS 520           HA       LYS 520   5.627   2.629   7.494
 1273    HB2  LYS 520           HB2      LYS 520   7.964   1.193   8.766
 1274    HB3  LYS 520           HB1      LYS 520   6.665   1.950   9.677
 1275    HG2  LYS 520           HG2      LYS 520   5.070   0.423   8.882
 1276    HG3  LYS 520           HG1      LYS 520   6.143  -0.152   7.606
 1277    HD2  LYS 520           HD2      LYS 520   5.994  -1.779   9.409
 1278    HD3  LYS 520           HD1      LYS 520   7.627  -1.125   9.287
 1279    HE2  LYS 520           HE2      LYS 520   7.230   0.330  11.170
 1280    HE3  LYS 520           HE1      LYS 520   5.540  -0.172  11.244
 1281    HZ1  LYS 520           HZ1      LYS 520   6.812  -1.340  12.902
 1282    HZ2  LYS 520           HZ2      LYS 520   7.909  -1.898  11.732
 1283    HZ3  LYS 520           HZ3      LYS 520   6.302  -2.435  11.713
 1284    H    ASN 521           H        ASN 521   9.118   3.026   7.270
 1285    HA   ASN 521           HA       ASN 521   9.366   5.287   8.922
 1286    HB2  ASN 521           HB2      ASN 521  11.282   3.921   8.248
 1287    HB3  ASN 521           HB1      ASN 521  11.062   4.413   6.572
 1288   HD21  ASN 521          1HD2      ASN 521  13.104   5.289   6.430
 1289   HD22  ASN 521          2HD2      ASN 521  13.541   6.765   7.222
 1290    H    PHE 522           H        PHE 522   8.935   4.995   5.406
 1291    HA   PHE 522           HA       PHE 522   9.126   7.765   4.856
 1292    HB2  PHE 522           HB2      PHE 522   9.433   5.920   3.186
 1293    HB3  PHE 522           HB1      PHE 522   7.694   5.660   3.218
 1294    HD1  PHE 522           HD2      PHE 522  10.073   8.509   2.791
 1295    HD2  PHE 522           HD1      PHE 522   6.500   6.594   1.491
 1296    HE1  PHE 522           HE2      PHE 522   9.805  10.206   1.031
 1297    HE2  PHE 522           HE1      PHE 522   6.228   8.286  -0.269
 1298    HZ   PHE 522           HZ       PHE 522   7.880  10.096  -0.503
 1299    H    LEU 523           H        LEU 523   6.432   5.674   5.684
 1300    HA   LEU 523           HA       LEU 523   4.462   7.722   5.131
 1301    HB2  LEU 523           HB2      LEU 523   4.267   4.956   6.312
 1302    HB3  LEU 523           HB1      LEU 523   2.883   6.012   6.104
 1303    HG   LEU 523           HG       LEU 523   4.646   5.133   3.821
 1304   HD11  LEU 523          1HD1      LEU 523   2.884   3.551   3.259
 1305   HD12  LEU 523          2HD1      LEU 523   2.020   3.982   4.735
 1306   HD13  LEU 523          3HD1      LEU 523   3.590   3.185   4.833
 1307   HD21  LEU 523          3HD2      LEU 523   1.885   6.334   3.896
 1308   HD22  LEU 523          1HD2      LEU 523   2.780   5.864   2.451
 1309   HD23  LEU 523          2HD2      LEU 523   3.365   7.189   3.457
 1310    H    GLY 524           H        GLY 524   6.527   7.070   7.679
 1311    HA2  GLY 524           HA2      GLY 524   6.705   8.035   9.762
 1312    HA3  GLY 524           HA1      GLY 524   5.304   9.019   9.362
 1313    H    TYR 525           H        TYR 525   5.558   5.507   9.482
 1314    HA   TYR 525           HA       TYR 525   3.197   5.354  11.135
 1315    HB2  TYR 525           HB2      TYR 525   3.679   3.763   9.260
 1316    HB3  TYR 525           HB1      TYR 525   5.028   3.132  10.194
 1317    HD1  TYR 525           HD2      TYR 525   1.339   3.532  10.216
 1318    HD2  TYR 525           HD1      TYR 525   4.693   1.452  11.797
 1319    HE1  TYR 525           HE2      TYR 525  -0.177   1.928  11.299
 1320    HE2  TYR 525           HE1      TYR 525   3.189  -0.163  12.879
 1321    HH   TYR 525           HH       TYR 525   0.917  -0.353  13.635
 1322    H    LYS 526           H        LYS 526   3.424   5.828  13.210
 1323    HA   LYS 526           HA       LYS 526   5.823   5.860  14.627
 1324    HB2  LYS 526           HB2      LYS 526   3.049   5.692  15.802
 1325    HB3  LYS 526           HB1      LYS 526   4.490   6.299  16.602
 1326    HG2  LYS 526           HG2      LYS 526   4.600   8.149  15.036
 1327    HG3  LYS 526           HG1      LYS 526   3.184   7.526  14.187
 1328    HD2  LYS 526           HD2      LYS 526   1.876   7.775  16.277
 1329    HD3  LYS 526           HD1      LYS 526   3.291   8.508  17.037
 1330    HE2  LYS 526           HE2      LYS 526   3.267  10.286  15.356
 1331    HE3  LYS 526           HE1      LYS 526   1.850   9.554  14.604
 1332    HZ1  LYS 526           HZ1      LYS 526   1.992  10.669  17.353
 1333    HZ2  LYS 526           HZ2      LYS 526   0.633   9.911  16.681
 1334    HZ3  LYS 526           HZ3      LYS 526   1.201  11.365  16.026
 1335    H    GLU 527           H        GLU 527   3.098   3.796  15.422
 1336    HA   GLU 527           HA       GLU 527   2.908   1.727  16.299
 1337    HB2  GLU 527           HB2      GLU 527   4.073   0.978  14.313
 1338    HB3  GLU 527           HB1      GLU 527   5.627   1.340  15.047
 1339    HG2  GLU 527           HG2      GLU 527   5.330  -0.413  16.659
 1340    HG3  GLU 527           HG1      GLU 527   3.689  -0.710  16.085
 1341    H    SER 528           H        SER 528   2.829   2.351  18.399
 1342    HA   SER 528           HA       SER 528   5.026   1.481  20.047
 1343    HB2  SER 528           HB2      SER 528   5.511   3.916  19.504
 1344    HB3  SER 528           HB1      SER 528   4.032   4.326  20.370
 1345    HG   SER 528           HG       SER 528   5.080   3.034  22.148
  Start of MODEL    4
    1    H1   SER 127           HT1      SER 127  -4.001 -25.180 -30.311
    2    H2   SER 127           HT2      SER 127  -3.278 -24.006 -29.326
    3    H3   SER 127           HT3      SER 127  -4.880 -23.811 -29.834
    4    HA   SER 127           HA       SER 127  -4.837 -24.499 -27.558
    5    HB2  SER 127           HB2      SER 127  -5.695 -26.761 -29.387
    6    HB3  SER 127           HB1      SER 127  -6.268 -26.478 -27.743
    7    HG   SER 127           HG       SER 127  -7.696 -25.683 -29.405
    8    H    ASN 128           H        ASN 128  -4.226 -26.020 -25.971
    9    HA   ASN 128           HA       ASN 128  -2.816 -27.399 -24.870
   10    HB2  ASN 128           HB2      ASN 128  -2.178 -28.525 -27.604
   11    HB3  ASN 128           HB1      ASN 128  -1.600 -29.197 -26.087
   12   HD21  ASN 128          1HD2      ASN 128  -4.250 -28.897 -28.254
   13   HD22  ASN 128          2HD2      ASN 128  -5.342 -29.949 -27.419
   14    H    ALA 129           H        ALA 129  -1.662 -25.571 -24.255
   15    HA   ALA 129           HA       ALA 129   0.811 -25.036 -25.762
   16    HB1  ALA 129           HB1      ALA 129  -0.632 -23.093 -25.360
   17    HB2  ALA 129           HB2      ALA 129   0.920 -22.927 -24.543
   18    HB3  ALA 129           HB3      ALA 129  -0.518 -23.369 -23.623
   19    H    GLY 130           H        GLY 130  -0.462 -26.316 -22.842
   20    HA2  GLY 130           HA2      GLY 130   1.865 -27.583 -22.049
   21    HA3  GLY 130           HA1      GLY 130   1.842 -26.037 -21.210
   22    H    SER 131           H        SER 131   0.614 -29.214 -21.334
   23    HA   SER 131           HA       SER 131  -1.610 -28.793 -19.579
   24    HB2  SER 131           HB2      SER 131  -0.138 -31.375 -20.156
   25    HB3  SER 131           HB1      SER 131  -1.777 -31.204 -19.525
   26    HG   SER 131           HG       SER 131  -0.963 -31.260 -22.072
   27    H    ASP 132           H        ASP 132   1.628 -30.178 -19.212
   28    HA   ASP 132           HA       ASP 132   3.009 -30.478 -17.456
   29    HB2  ASP 132           HB2      ASP 132   2.901 -27.994 -17.490
   30    HB3  ASP 132           HB1      ASP 132   1.619 -28.064 -16.286
   31    H    ASP 133           H        ASP 133   2.238 -32.452 -16.758
   32    HA   ASP 133           HA       ASP 133   0.126 -32.754 -14.893
   33    HB2  ASP 133           HB2      ASP 133   2.356 -34.498 -15.840
   34    HB3  ASP 133           HB1      ASP 133   1.514 -34.954 -14.363
   35    H    ASP 134           H        ASP 134   3.587 -32.258 -14.556
   36    HA   ASP 134           HA       ASP 134   3.291 -31.044 -12.012
   37    HB2  ASP 134           HB2      ASP 134   3.104 -33.350 -11.215
   38    HB3  ASP 134           HB1      ASP 134   4.601 -33.775 -12.042
   39    H    GLY 135           H        GLY 135   4.686 -29.441 -12.245
   40    HA2  GLY 135           HA2      GLY 135   7.478 -29.922 -12.529
   41    HA3  GLY 135           HA1      GLY 135   6.797 -29.294 -14.022
   42    H    GLY 136           H        GLY 136   6.184 -28.580 -10.590
   43    HA2  GLY 136           HA2      GLY 136   7.428 -26.048 -10.610
   44    HA3  GLY 136           HA1      GLY 136   5.725 -25.849 -10.998
   45    H    ASP 137           H        ASP 137   7.953 -27.141  -8.584
   46    HA   ASP 137           HA       ASP 137   5.792 -27.088  -6.605
   47    HB2  ASP 137           HB2      ASP 137   7.266 -28.382  -5.159
   48    HB3  ASP 137           HB1      ASP 137   7.134 -29.158  -6.732
   49    H    SER 138           H        SER 138   5.842 -25.822  -4.816
   50    HA   SER 138           HA       SER 138   7.702 -23.573  -4.914
   51    HB2  SER 138           HB2      SER 138   5.169 -23.924  -3.286
   52    HB3  SER 138           HB1      SER 138   6.103 -22.437  -3.453
   53    HG   SER 138           HG       SER 138   4.762 -23.830  -5.552
   54    HA   PRO 139           HA       PRO 139   9.804 -25.471  -1.440
   55    HB2  PRO 139           HB2      PRO 139  11.685 -23.281  -1.584
   56    HB3  PRO 139           HB1      PRO 139  11.924 -24.965  -2.048
   57    HG2  PRO 139           HG2      PRO 139  11.856 -22.893  -3.833
   58    HG3  PRO 139           HG1      PRO 139  11.430 -24.564  -4.241
   59    HD2  PRO 139           HD2      PRO 139   9.638 -22.245  -3.621
   60    HD3  PRO 139           HD1      PRO 139   9.458 -23.515  -4.853
   61    H    VAL 140           H        VAL 140  11.259 -23.908   0.346
   62    HA   VAL 140           HA       VAL 140   9.135 -22.761   1.921
   63    HB   VAL 140           HB       VAL 140  10.896 -22.439   3.649
   64   HG11  VAL 140          1HG1      VAL 140  11.261 -24.817   4.094
   65   HG12  VAL 140          2HG1      VAL 140  10.790 -25.200   2.438
   66   HG13  VAL 140          3HG1      VAL 140   9.610 -24.512   3.552
   67   HG21  VAL 140          3HG2      VAL 140  13.123 -23.394   3.285
   68   HG22  VAL 140          1HG2      VAL 140  12.805 -22.061   2.173
   69   HG23  VAL 140          2HG2      VAL 140  12.706 -23.728   1.606
   70    H    GLN 141           H        GLN 141  10.278 -21.482  -0.589
   71    HA   GLN 141           HA       GLN 141  10.028 -18.781   0.195
   72    HB2  GLN 141           HB2      GLN 141  12.574 -19.726   0.657
   73    HB3  GLN 141           HB1      GLN 141  12.715 -19.071  -0.970
   74    HG2  GLN 141           HG2      GLN 141  11.767 -16.933  -0.119
   75    HG3  GLN 141           HG1      GLN 141  11.828 -17.610   1.506
   76   HE21  GLN 141          1HE2      GLN 141  14.310 -19.065   0.911
   77   HE22  GLN 141          2HE2      GLN 141  15.571 -17.882   0.944
   78    H    ASP 142           H        ASP 142  11.208 -17.495  -1.920
   79    HA   ASP 142           HA       ASP 142  11.018 -17.019  -4.126
   80    HB2  ASP 142           HB2      ASP 142  12.238 -19.278  -4.287
   81    HB3  ASP 142           HB1      ASP 142  10.669 -19.963  -4.696
   82    H    ILE 143           H        ILE 143   9.086 -15.943  -3.891
   83    HA   ILE 143           HA       ILE 143   6.587 -17.338  -3.626
   84    HB   ILE 143           HB       ILE 143   6.790 -14.408  -4.256
   85   HG12  ILE 143          2HG1      ILE 143   6.698 -14.508  -1.509
   86   HG13  ILE 143          1HG1      ILE 143   7.861 -15.773  -1.896
   87   HG21  ILE 143          1HG2      ILE 143   4.909 -16.043  -2.565
   88   HG22  ILE 143          2HG2      ILE 143   4.578 -15.368  -4.161
   89   HG23  ILE 143          3HG2      ILE 143   4.824 -14.295  -2.782
   90   HD11  ILE 143          3HD1      ILE 143   8.009 -12.929  -2.864
   91   HD12  ILE 143          1HD1      ILE 143   9.200 -14.197  -3.150
   92   HD13  ILE 143          2HD1      ILE 143   8.927 -13.599  -1.513
   93    H    ASP 144           H        ASP 144   4.988 -17.608  -5.120
   94    HA   ASP 144           HA       ASP 144   5.573 -16.916  -7.889
   95    HB2  ASP 144           HB2      ASP 144   4.669 -19.133  -7.576
   96    HB3  ASP 144           HB1      ASP 144   3.325 -18.503  -6.627
   97    H    THR 145           H        THR 145   2.832 -16.552  -5.658
   98    HA   THR 145           HA       THR 145   2.436 -13.796  -6.411
   99    HB   THR 145           HB       THR 145   0.244 -15.794  -7.025
  100    HG1  THR 145           HG1      THR 145   1.576 -15.988  -8.731
  101   HG21  THR 145          3HG2      THR 145  -0.601 -13.629  -6.270
  102   HG22  THR 145          1HG2      THR 145  -0.928 -13.860  -7.987
  103   HG23  THR 145          2HG2      THR 145   0.393 -12.808  -7.475
  104    HA   PRO 146           HA       PRO 146   1.046 -14.376  -2.137
  105    HB2  PRO 146           HB2      PRO 146   1.344 -11.506  -1.872
  106    HB3  PRO 146           HB1      PRO 146   2.276 -12.790  -1.097
  107    HG2  PRO 146           HG2      PRO 146   3.296 -11.109  -2.989
  108    HG3  PRO 146           HG1      PRO 146   3.901 -12.748  -2.701
  109    HD2  PRO 146           HD2      PRO 146   2.071 -11.753  -4.848
  110    HD3  PRO 146           HD1      PRO 146   3.379 -12.951  -4.947
  111    H    GLU 147           H        GLU 147  -0.734 -13.453  -0.888
  112    HA   GLU 147           HA       GLU 147  -2.825 -12.350  -2.638
  113    HB2  GLU 147           HB2      GLU 147  -4.452 -13.516  -1.196
  114    HB3  GLU 147           HB1      GLU 147  -3.327 -14.629  -1.961
  115    HG2  GLU 147           HG2      GLU 147  -2.031 -14.743   0.106
  116    HG3  GLU 147           HG1      GLU 147  -3.170 -13.642   0.877
  117    H    VAL 148           H        VAL 148  -4.325 -10.886  -1.681
  118    HA   VAL 148           HA       VAL 148  -3.245  -9.473   0.663
  119    HB   VAL 148           HB       VAL 148  -3.163  -8.032  -1.262
  120   HG11  VAL 148          1HG1      VAL 148  -6.088  -8.648  -1.655
  121   HG12  VAL 148          2HG1      VAL 148  -4.758  -9.192  -2.677
  122   HG13  VAL 148          3HG1      VAL 148  -5.148  -7.475  -2.578
  123   HG21  VAL 148          3HG2      VAL 148  -4.568  -6.174  -0.555
  124   HG22  VAL 148          1HG2      VAL 148  -3.879  -6.991   0.849
  125   HG23  VAL 148          2HG2      VAL 148  -5.565  -7.268   0.403
  126    H    ASP 149           H        ASP 149  -4.534  -9.146   2.395
  127    HA   ASP 149           HA       ASP 149  -7.217 -10.323   2.282
  128    HB2  ASP 149           HB2      ASP 149  -5.723 -11.243   4.006
  129    HB3  ASP 149           HB1      ASP 149  -5.510  -9.631   4.686
  130    H    LEU 150           H        LEU 150  -9.006  -9.131   2.621
  131    HA   LEU 150           HA       LEU 150  -8.596  -6.255   3.140
  132    HB2  LEU 150           HB2      LEU 150 -10.725  -7.610   1.478
  133    HB3  LEU 150           HB1      LEU 150 -10.631  -5.884   1.784
  134    HG   LEU 150           HG       LEU 150  -8.450  -7.432   0.383
  135   HD11  LEU 150          1HD1      LEU 150  -9.319  -6.534  -1.694
  136   HD12  LEU 150          2HD1      LEU 150 -10.673  -5.804  -0.830
  137   HD13  LEU 150          3HD1      LEU 150 -10.520  -7.560  -0.907
  138   HD21  LEU 150          3HD2      LEU 150  -7.742  -5.338   1.407
  139   HD22  LEU 150          1HD2      LEU 150  -9.049  -4.484   0.586
  140   HD23  LEU 150          2HD2      LEU 150  -7.744  -5.211  -0.352
  141    H    TYR 151           H        TYR 151  -9.535  -8.966   4.577
  142    HA   TYR 151           HA       TYR 151 -11.949  -8.068   5.871
  143    HB2  TYR 151           HB2      TYR 151 -11.377 -10.491   5.444
  144    HB3  TYR 151           HB1      TYR 151 -10.122 -10.347   6.668
  145    HD1  TYR 151           HD1      TYR 151 -13.774 -10.237   6.103
  146    HD2  TYR 151           HD2      TYR 151 -10.645 -10.471   8.980
  147    HE1  TYR 151           HE1      TYR 151 -15.421 -10.800   7.839
  148    HE2  TYR 151           HE2      TYR 151 -12.284 -11.035  10.724
  149    HH   TYR 151           HH       TYR 151 -15.486 -11.930  10.021
  150    H    GLN 152           H        GLN 152  -8.528  -8.067   6.403
  151    HA   GLN 152           HA       GLN 152  -8.331  -7.291   9.068
  152    HB2  GLN 152           HB2      GLN 152  -6.153  -6.404   8.462
  153    HB3  GLN 152           HB1      GLN 152  -6.435  -7.891   7.565
  154    HG2  GLN 152           HG2      GLN 152  -6.942  -6.695   5.577
  155    HG3  GLN 152           HG1      GLN 152  -6.945  -5.157   6.436
  156   HE21  GLN 152          1HE2      GLN 152  -4.596  -7.706   6.904
  157   HE22  GLN 152          2HE2      GLN 152  -3.253  -6.840   6.248
  158    H    LEU 153           H        LEU 153  -9.258  -5.447   6.252
  159    HA   LEU 153           HA       LEU 153  -8.620  -2.879   7.247
  160    HB2  LEU 153           HB2      LEU 153 -10.553  -3.668   5.072
  161    HB3  LEU 153           HB1      LEU 153  -9.974  -2.040   5.373
  162    HG   LEU 153           HG       LEU 153  -8.335  -4.391   4.441
  163   HD11  LEU 153          1HD1      LEU 153  -9.720  -3.387   2.716
  164   HD12  LEU 153          2HD1      LEU 153  -8.017  -3.016   2.443
  165   HD13  LEU 153          3HD1      LEU 153  -9.088  -1.790   3.119
  166   HD21  LEU 153          3HD2      LEU 153  -6.457  -2.843   4.358
  167   HD22  LEU 153          1HD2      LEU 153  -7.058  -3.015   6.008
  168   HD23  LEU 153          2HD2      LEU 153  -7.457  -1.575   5.068
  169    H    GLN 154           H        GLN 154 -10.210  -1.130   7.473
  170    HA   GLN 154           HA       GLN 154 -12.168  -1.792   9.459
  171    HB2  GLN 154           HB2      GLN 154 -11.738   0.810   7.981
  172    HB3  GLN 154           HB1      GLN 154 -12.703   0.599   9.433
  173    HG2  GLN 154           HG2      GLN 154 -10.656  -0.099  10.638
  174    HG3  GLN 154           HG1      GLN 154  -9.724   0.259   9.184
  175   HE21  GLN 154          1HE2      GLN 154 -11.545   1.575  11.820
  176   HE22  GLN 154          2HE2      GLN 154 -11.052   3.225  11.613
  177    H    VAL 155           H        VAL 155 -14.450  -1.094   9.291
  178    HA   VAL 155           HA       VAL 155 -15.699  -2.196   6.973
  179    HB   VAL 155           HB       VAL 155 -17.000  -0.487   9.104
  180   HG11  VAL 155          1HG1      VAL 155 -19.024  -1.733   8.512
  181   HG12  VAL 155          2HG1      VAL 155 -18.132  -2.577   7.246
  182   HG13  VAL 155          3HG1      VAL 155 -18.385  -0.833   7.138
  183   HG21  VAL 155          3HG2      VAL 155 -15.790  -2.316  10.156
  184   HG22  VAL 155          1HG2      VAL 155 -16.572  -3.472   9.078
  185   HG23  VAL 155          2HG2      VAL 155 -17.530  -2.578  10.258
  186    H    ASN 156           H        ASN 156 -15.265   1.075   8.242
  187    HA   ASN 156           HA       ASN 156 -16.737   2.383   6.235
  188    HB2  ASN 156           HB2      ASN 156 -14.576   3.360   8.100
  189    HB3  ASN 156           HB1      ASN 156 -15.419   4.428   6.980
  190   HD21  ASN 156          1HD2      ASN 156 -15.363   4.447   9.899
  191   HD22  ASN 156          2HD2      ASN 156 -17.011   4.304  10.409
  192    H    THR 157           H        THR 157 -13.407   1.318   6.385
  193    HA   THR 157           HA       THR 157 -12.346   2.754   4.231
  194    HB   THR 157           HB       THR 157 -11.650  -0.063   5.092
  195    HG1  THR 157           HG1      THR 157 -10.121   0.956   6.435
  196   HG21  THR 157          3HG2      THR 157  -9.426   0.467   4.159
  197   HG22  THR 157          1HG2      THR 157 -10.058   2.003   3.568
  198   HG23  THR 157          2HG2      THR 157 -10.690   0.486   2.928
  199    H    LEU 158           H        LEU 158 -13.997  -0.377   4.342
  200    HA   LEU 158           HA       LEU 158 -13.713  -0.947   1.577
  201    HB2  LEU 158           HB2      LEU 158 -15.713  -2.015   3.568
  202    HB3  LEU 158           HB1      LEU 158 -15.373  -2.709   1.994
  203    HG   LEU 158           HG       LEU 158 -13.424  -2.531   4.296
  204   HD11  LEU 158          1HD1      LEU 158 -14.835  -4.903   3.094
  205   HD12  LEU 158          2HD1      LEU 158 -15.230  -4.147   4.639
  206   HD13  LEU 158          3HD1      LEU 158 -13.667  -4.934   4.416
  207   HD21  LEU 158          3HD2      LEU 158 -12.293  -2.364   2.144
  208   HD22  LEU 158          1HD2      LEU 158 -13.137  -3.804   1.576
  209   HD23  LEU 158          2HD2      LEU 158 -11.980  -3.926   2.900
  210    H    ARG 159           H        ARG 159 -16.263   0.529   3.520
  211    HA   ARG 159           HA       ARG 159 -18.170   0.824   1.463
  212    HB2  ARG 159           HB2      ARG 159 -17.666   2.491   3.936
  213    HB3  ARG 159           HB1      ARG 159 -19.049   2.715   2.873
  214    HG2  ARG 159           HG2      ARG 159 -19.823   0.473   3.375
  215    HG3  ARG 159           HG1      ARG 159 -18.404   0.195   4.390
  216    HD2  ARG 159           HD2      ARG 159 -19.097   1.960   5.893
  217    HD3  ARG 159           HD1      ARG 159 -20.467   2.341   4.853
  218    HE   ARG 159           HE       ARG 159 -20.911  -0.235   5.435
  219   HH11  ARG 159          1HH1      ARG 159 -20.080   2.483   7.467
  220   HH12  ARG 159          2HH1      ARG 159 -20.989   1.911   8.833
  221   HH21  ARG 159          1HH2      ARG 159 -22.102  -1.008   7.233
  222   HH22  ARG 159          2HH2      ARG 159 -22.118  -0.091   8.706
  223    H    ARG 160           H        ARG 160 -15.473   2.842   2.510
  224    HA   ARG 160           HA       ARG 160 -16.029   5.082   0.894
  225    HB2  ARG 160           HB2      ARG 160 -14.387   4.800   2.881
  226    HB3  ARG 160           HB1      ARG 160 -13.248   4.235   1.665
  227    HG2  ARG 160           HG2      ARG 160 -13.278   6.325   0.541
  228    HG3  ARG 160           HG1      ARG 160 -14.648   6.891   1.501
  229    HD2  ARG 160           HD2      ARG 160 -13.144   6.601   3.530
  230    HD3  ARG 160           HD1      ARG 160 -11.814   6.423   2.388
  231    HE   ARG 160           HE       ARG 160 -12.292   8.681   1.616
  232   HH11  ARG 160          1HH1      ARG 160 -13.684   7.686   4.657
  233   HH12  ARG 160          2HH1      ARG 160 -13.878   9.299   5.266
  234   HH21  ARG 160          1HH2      ARG 160 -12.552  10.839   2.388
  235   HH22  ARG 160          2HH2      ARG 160 -13.241  11.097   3.967
  236    H    TYR 161           H        TYR 161 -13.997   2.223   0.376
  237    HA   TYR 161           HA       TYR 161 -13.057   2.715  -2.171
  238    HB2  TYR 161           HB2      TYR 161 -12.396   0.766  -0.848
  239    HB3  TYR 161           HB1      TYR 161 -14.020   0.101  -0.979
  240    HD1  TYR 161           HD1      TYR 161 -14.788  -0.911  -3.056
  241    HD2  TYR 161           HD2      TYR 161 -10.850   0.662  -2.712
  242    HE1  TYR 161           HE1      TYR 161 -14.141  -2.101  -5.105
  243    HE2  TYR 161           HE2      TYR 161 -10.195  -0.526  -4.761
  244    HH   TYR 161           HH       TYR 161 -10.923  -2.490  -6.061
  245    H    LYS 162           H        LYS 162 -16.119   1.180  -1.240
  246    HA   LYS 162           HA       LYS 162 -16.992   0.737  -3.894
  247    HB2  LYS 162           HB2      LYS 162 -18.470   0.793  -1.269
  248    HB3  LYS 162           HB1      LYS 162 -19.223   0.342  -2.793
  249    HG2  LYS 162           HG2      LYS 162 -17.690  -1.520  -3.033
  250    HG3  LYS 162           HG1      LYS 162 -16.853  -1.043  -1.557
  251    HD2  LYS 162           HD2      LYS 162 -18.446  -2.916  -1.230
  252    HD3  LYS 162           HD1      LYS 162 -18.802  -1.503  -0.232
  253    HE2  LYS 162           HE2      LYS 162 -20.796  -2.577  -1.299
  254    HE3  LYS 162           HE1      LYS 162 -20.604  -0.860  -1.650
  255    HZ1  LYS 162           HZ1      LYS 162 -21.200  -2.069  -3.636
  256    HZ2  LYS 162           HZ2      LYS 162 -19.885  -3.110  -3.454
  257    HZ3  LYS 162           HZ3      LYS 162 -19.627  -1.475  -3.792
  258    H    ARG 163           H        ARG 163 -17.287   3.461  -1.752
  259    HA   ARG 163           HA       ARG 163 -19.402   4.709  -3.236
  260    HB2  ARG 163           HB2      ARG 163 -19.145   5.154  -0.871
  261    HB3  ARG 163           HB1      ARG 163 -17.527   5.786  -1.132
  262    HG2  ARG 163           HG2      ARG 163 -19.017   7.622  -0.812
  263    HG3  ARG 163           HG1      ARG 163 -18.512   7.603  -2.502
  264    HD2  ARG 163           HD2      ARG 163 -20.860   8.051  -2.429
  265    HD3  ARG 163           HD1      ARG 163 -20.633   6.417  -3.049
  266    HE   ARG 163           HE       ARG 163 -21.106   6.617  -0.191
  267   HH11  ARG 163          1HH1      ARG 163 -22.505   6.125  -3.373
  268   HH12  ARG 163          2HH1      ARG 163 -23.952   5.372  -2.755
  269   HH21  ARG 163          1HH2      ARG 163 -22.989   5.659   0.615
  270   HH22  ARG 163          2HH2      ARG 163 -24.239   5.127  -0.474
  271    H    HIS 164           H        HIS 164 -15.879   5.074  -3.053
  272    HA   HIS 164           HA       HIS 164 -15.873   7.304  -4.862
  273    HB2  HIS 164           HB2      HIS 164 -13.855   5.829  -3.309
  274    HB3  HIS 164           HB1      HIS 164 -13.278   6.478  -4.841
  275    HD1  HIS 164           HD1      HIS 164 -14.594   7.558  -1.485
  276    HD2  HIS 164           HD2      HIS 164 -13.084   9.248  -4.973
  277    HE1  HIS 164           HE1      HIS 164 -14.127   9.966  -0.926
  278    HE2  HIS 164           HE2      HIS 164 -13.455  11.016  -3.119
  279    H    PHE 165           H        PHE 165 -15.257   3.833  -5.144
  280    HA   PHE 165           HA       PHE 165 -14.545   4.093  -7.936
  281    HB2  PHE 165           HB2      PHE 165 -14.851   1.764  -6.067
  282    HB3  PHE 165           HB1      PHE 165 -14.738   1.503  -7.806
  283    HD1  PHE 165           HD2      PHE 165 -12.957   2.882  -4.871
  284    HD2  PHE 165           HD1      PHE 165 -12.690   1.646  -8.933
  285    HE1  PHE 165           HE2      PHE 165 -10.504   3.022  -4.752
  286    HE2  PHE 165           HE1      PHE 165 -10.240   1.783  -8.820
  287    HZ   PHE 165           HZ       PHE 165  -9.144   2.473  -6.728
  288    H    LYS 166           H        LYS 166 -17.387   4.209  -6.304
  289    HA   LYS 166           HA       LYS 166 -19.579   4.107  -6.859
  290    HB2  LYS 166           HB2      LYS 166 -18.608   4.046  -9.723
  291    HB3  LYS 166           HB1      LYS 166 -20.209   4.512  -9.167
  292    HG2  LYS 166           HG2      LYS 166 -17.634   5.979  -8.636
  293    HG3  LYS 166           HG1      LYS 166 -18.912   6.463  -9.751
  294    HD2  LYS 166           HD2      LYS 166 -20.456   6.740  -7.901
  295    HD3  LYS 166           HD1      LYS 166 -19.230   6.169  -6.765
  296    HE2  LYS 166           HE2      LYS 166 -17.799   8.080  -7.431
  297    HE3  LYS 166           HE1      LYS 166 -19.115   8.671  -8.446
  298    HZ1  LYS 166           HZ1      LYS 166 -20.504   8.788  -6.431
  299    HZ2  LYS 166           HZ2      LYS 166 -19.151   9.809  -6.354
  300    HZ3  LYS 166           HZ3      LYS 166 -19.159   8.349  -5.496
  301    H    LEU 167           H        LEU 167 -19.632   1.965  -5.906
  302    HA   LEU 167           HA       LEU 167 -19.997  -0.137  -7.951
  303    HB2  LEU 167           HB2      LEU 167 -19.212  -0.457  -5.056
  304    HB3  LEU 167           HB1      LEU 167 -19.492  -1.768  -6.186
  305    HG   LEU 167           HG       LEU 167 -17.296   0.293  -6.405
  306   HD11  LEU 167          1HD1      LEU 167 -17.205  -2.622  -5.646
  307   HD12  LEU 167          2HD1      LEU 167 -16.924  -1.254  -4.570
  308   HD13  LEU 167          3HD1      LEU 167 -15.805  -1.578  -5.894
  309   HD21  LEU 167          3HD2      LEU 167 -16.452  -1.134  -8.216
  310   HD22  LEU 167          1HD2      LEU 167 -18.039  -0.462  -8.593
  311   HD23  LEU 167          2HD2      LEU 167 -17.892  -2.144  -8.082
  312    HA   PRO 168           HA       PRO 168 -24.262   0.298  -6.711
  313    HB2  PRO 168           HB2      PRO 168 -24.696  -1.843  -8.674
  314    HB3  PRO 168           HB1      PRO 168 -25.300  -0.183  -8.676
  315    HG2  PRO 168           HG2      PRO 168 -23.418  -1.005 -10.411
  316    HG3  PRO 168           HG1      PRO 168 -23.425   0.641  -9.747
  317    HD2  PRO 168           HD2      PRO 168 -21.770  -1.724  -8.931
  318    HD3  PRO 168           HD1      PRO 168 -21.273  -0.033  -9.150
  319    H    THR 169           H        THR 169 -25.460  -0.741  -5.231
  320    HA   THR 169           HA       THR 169 -25.566  -3.543  -4.885
  321    HB   THR 169           HB       THR 169 -23.335  -3.407  -4.031
  322    HG1  THR 169           HG1      THR 169 -24.963  -3.407  -1.703
  323   HG21  THR 169          3HG2      THR 169 -23.219  -1.020  -3.597
  324   HG22  THR 169          1HG2      THR 169 -22.714  -1.932  -2.172
  325   HG23  THR 169          2HG2      THR 169 -24.319  -1.200  -2.228
  326    H    ARG 170           H        ARG 170 -26.862  -4.155  -3.054
  327    HA   ARG 170           HA       ARG 170 -29.001  -2.384  -2.494
  328    HB2  ARG 170           HB2      ARG 170 -29.771  -4.160  -0.974
  329    HB3  ARG 170           HB1      ARG 170 -29.292  -4.815  -2.534
  330    HG2  ARG 170           HG2      ARG 170 -27.185  -5.564  -1.608
  331    HG3  ARG 170           HG1      ARG 170 -27.582  -4.830  -0.055
  332    HD2  ARG 170           HD2      ARG 170 -28.002  -7.199   0.047
  333    HD3  ARG 170           HD1      ARG 170 -29.531  -6.327   0.116
  334    HE   ARG 170           HE       ARG 170 -29.107  -6.945  -2.552
  335   HH11  ARG 170          1HH1      ARG 170 -29.474  -8.694   0.463
  336   HH12  ARG 170          2HH1      ARG 170 -30.220 -10.083  -0.285
  337   HH21  ARG 170          1HH2      ARG 170 -30.092  -8.761  -3.535
  338   HH22  ARG 170          2HH2      ARG 170 -30.565 -10.121  -2.560
  339    HA   PRO 171           HA       PRO 171 -27.477  -0.424   1.216
  340    HB2  PRO 171           HB2      PRO 171 -29.779   0.132   2.502
  341    HB3  PRO 171           HB1      PRO 171 -29.304   0.972   1.022
  342    HG2  PRO 171           HG2      PRO 171 -31.241  -1.274   1.389
  343    HG3  PRO 171           HG1      PRO 171 -31.374   0.167   0.363
  344    HD2  PRO 171           HD2      PRO 171 -30.643  -2.301  -0.570
  345    HD3  PRO 171           HD1      PRO 171 -30.154  -0.775  -1.328
  346    H    GLY 172           H        GLY 172 -27.127  -0.764   3.440
  347    HA2  GLY 172           HA2      GLY 172 -27.276  -1.873   5.487
  348    HA3  GLY 172           HA1      GLY 172 -28.465  -2.959   4.785
  349    H    LEU 173           H        LEU 173 -25.103  -2.155   3.934
  350    HA   LEU 173           HA       LEU 173 -24.562  -5.013   3.645
  351    HB2  LEU 173           HB2      LEU 173 -22.880  -2.611   2.935
  352    HB3  LEU 173           HB1      LEU 173 -22.451  -4.279   2.611
  353    HG   LEU 173           HG       LEU 173 -24.850  -2.876   1.435
  354   HD11  LEU 173          1HD1      LEU 173 -22.136  -3.453   0.260
  355   HD12  LEU 173          2HD1      LEU 173 -22.830  -1.867   0.593
  356   HD13  LEU 173          3HD1      LEU 173 -23.537  -2.894  -0.657
  357   HD21  LEU 173          3HD2      LEU 173 -25.180  -5.264   1.567
  358   HD22  LEU 173          1HD2      LEU 173 -23.586  -5.555   0.868
  359   HD23  LEU 173          2HD2      LEU 173 -24.853  -4.811  -0.108
  360    H    ASN 174           H        ASN 174 -22.954  -6.067   4.761
  361    HA   ASN 174           HA       ASN 174 -21.899  -4.648   7.113
  362    HB2  ASN 174           HB2      ASN 174 -22.725  -7.528   6.765
  363    HB3  ASN 174           HB1      ASN 174 -21.685  -7.010   8.088
  364   HD21  ASN 174          1HD2      ASN 174 -24.378  -8.156   8.113
  365   HD22  ASN 174          2HD2      ASN 174 -25.356  -7.012   8.990
  366    H    LYS 175           H        LYS 175 -19.910  -6.011   7.985
  367    HA   LYS 175           HA       LYS 175 -17.748  -5.385   6.454
  368    HB2  LYS 175           HB2      LYS 175 -17.505  -5.939   8.774
  369    HB3  LYS 175           HB1      LYS 175 -18.038  -7.589   8.494
  370    HG2  LYS 175           HG2      LYS 175 -15.646  -7.512   8.832
  371    HG3  LYS 175           HG1      LYS 175 -16.018  -8.018   7.185
  372    HD2  LYS 175           HD2      LYS 175 -15.584  -5.721   6.405
  373    HD3  LYS 175           HD1      LYS 175 -15.159  -5.258   8.057
  374    HE2  LYS 175           HE2      LYS 175 -13.355  -6.927   8.033
  375    HE3  LYS 175           HE1      LYS 175 -13.776  -7.336   6.372
  376    HZ1  LYS 175           HZ1      LYS 175 -12.607  -4.818   7.400
  377    HZ2  LYS 175           HZ2      LYS 175 -13.347  -4.904   5.880
  378    HZ3  LYS 175           HZ3      LYS 175 -11.994  -5.860   6.211
  379    H    ALA 176           H        ALA 176 -19.085  -8.702   6.690
  380    HA   ALA 176           HA       ALA 176 -17.289  -9.924   4.965
  381    HB1  ALA 176           HB1      ALA 176 -20.177 -10.662   5.398
  382    HB2  ALA 176           HB2      ALA 176 -18.819 -11.161   6.407
  383    HB3  ALA 176           HB3      ALA 176 -18.924 -11.711   4.734
  384    H    GLN 177           H        GLN 177 -20.469  -8.533   4.173
  385    HA   GLN 177           HA       GLN 177 -20.514  -9.235   1.464
  386    HB2  GLN 177           HB2      GLN 177 -21.754  -6.812   2.786
  387    HB3  GLN 177           HB1      GLN 177 -22.191  -7.450   1.207
  388    HG2  GLN 177           HG2      GLN 177 -22.535  -8.848   3.848
  389    HG3  GLN 177           HG1      GLN 177 -23.808  -8.088   2.894
  390   HE21  GLN 177          1HE2      GLN 177 -24.482  -9.074   0.975
  391   HE22  GLN 177          2HE2      GLN 177 -24.158 -10.745   0.645
  392    H    LEU 178           H        LEU 178 -19.286  -6.370   3.108
  393    HA   LEU 178           HA       LEU 178 -18.642  -4.851   0.837
  394    HB2  LEU 178           HB2      LEU 178 -17.354  -4.858   3.566
  395    HB3  LEU 178           HB1      LEU 178 -17.121  -3.619   2.347
  396    HG   LEU 178           HG       LEU 178 -19.756  -4.273   3.667
  397   HD11  LEU 178          1HD1      LEU 178 -18.180  -3.269   5.228
  398   HD12  LEU 178          2HD1      LEU 178 -19.464  -2.133   4.810
  399   HD13  LEU 178          3HD1      LEU 178 -17.864  -1.964   4.086
  400   HD21  LEU 178          3HD2      LEU 178 -20.032  -3.410   1.408
  401   HD22  LEU 178          1HD2      LEU 178 -18.969  -2.053   1.781
  402   HD23  LEU 178          2HD2      LEU 178 -20.524  -2.206   2.598
  403    H    VAL 179           H        VAL 179 -16.655  -7.064   2.794
  404    HA   VAL 179           HA       VAL 179 -14.227  -6.638   1.461
  405    HB   VAL 179           HB       VAL 179 -15.047  -9.291   2.655
  406   HG11  VAL 179          1HG1      VAL 179 -12.666  -9.478   3.173
  407   HG12  VAL 179          2HG1      VAL 179 -12.379  -7.912   2.416
  408   HG13  VAL 179          3HG1      VAL 179 -12.933  -9.274   1.439
  409   HG21  VAL 179          3HG2      VAL 179 -15.584  -7.541   4.256
  410   HG22  VAL 179          1HG2      VAL 179 -13.959  -6.877   4.091
  411   HG23  VAL 179          2HG2      VAL 179 -14.190  -8.480   4.791
  412    H    GLU 180           H        GLU 180 -16.820  -8.959   0.867
  413    HA   GLU 180           HA       GLU 180 -15.648 -10.426  -1.199
  414    HB2  GLU 180           HB2      GLU 180 -18.559  -9.689  -0.838
  415    HB3  GLU 180           HB1      GLU 180 -17.952 -10.994  -1.847
  416    HG2  GLU 180           HG2      GLU 180 -17.588 -10.823   1.133
  417    HG3  GLU 180           HG1      GLU 180 -18.859 -11.742   0.328
  418    H    ILE 181           H        ILE 181 -17.715  -7.532  -1.359
  419    HA   ILE 181           HA       ILE 181 -17.656  -7.299  -4.177
  420    HB   ILE 181           HB       ILE 181 -18.125  -5.121  -2.125
  421   HG12  ILE 181          2HG1      ILE 181 -20.121  -6.798  -3.659
  422   HG13  ILE 181          1HG1      ILE 181 -19.667  -7.090  -1.985
  423   HG21  ILE 181          1HG2      ILE 181 -18.832  -5.231  -5.055
  424   HG22  ILE 181          2HG2      ILE 181 -17.545  -4.257  -4.342
  425   HG23  ILE 181          3HG2      ILE 181 -19.230  -3.928  -3.935
  426   HD11  ILE 181          3HD1      ILE 181 -20.549  -4.898  -1.366
  427   HD12  ILE 181          1HD1      ILE 181 -21.777  -5.905  -2.132
  428   HD13  ILE 181          2HD1      ILE 181 -21.005  -4.608  -3.045
  429    H    VAL 182           H        VAL 182 -15.769  -5.696  -1.633
  430    HA   VAL 182           HA       VAL 182 -14.314  -3.987  -3.304
  431    HB   VAL 182           HB       VAL 182 -13.547  -5.145  -0.619
  432   HG11  VAL 182          1HG1      VAL 182 -11.894  -3.338  -0.483
  433   HG12  VAL 182          2HG1      VAL 182 -12.276  -2.867  -2.138
  434   HG13  VAL 182          3HG1      VAL 182 -11.538  -4.436  -1.817
  435   HG21  VAL 182          3HG2      VAL 182 -15.541  -3.765  -0.556
  436   HG22  VAL 182          1HG2      VAL 182 -14.698  -2.477  -1.418
  437   HG23  VAL 182          2HG2      VAL 182 -14.194  -2.924   0.211
  438    H    GLY 183           H        GLY 183 -13.545  -7.265  -2.159
  439    HA2  GLY 183           HA2      GLY 183 -10.975  -7.374  -3.327
  440    HA3  GLY 183           HA1      GLY 183 -11.933  -8.755  -2.814
  441    H    CYS 184           H        CYS 184 -14.167  -8.349  -4.477
  442    HA   CYS 184           HA       CYS 184 -13.376  -9.669  -6.810
  443    HB2  CYS 184           HB2      CYS 184 -15.682  -9.668  -5.837
  444    HB3  CYS 184           HB1      CYS 184 -15.889  -8.026  -6.432
  445    HG   CYS 184           HG       CYS 184 -15.129 -10.556  -8.581
  446    H    HIS 185           H        HIS 185 -13.990  -6.232  -6.202
  447    HA   HIS 185           HA       HIS 185 -13.417  -5.563  -8.974
  448    HB2  HIS 185           HB2      HIS 185 -15.166  -4.383  -7.587
  449    HB3  HIS 185           HB1      HIS 185 -13.854  -3.666  -6.660
  450    HD1  HIS 185           HD1      HIS 185 -12.602  -1.707  -7.710
  451    HD2  HIS 185           HD2      HIS 185 -15.422  -3.422 -10.238
  452    HE1  HIS 185           HE1      HIS 185 -12.852  -0.103  -9.635
  453    HE2  HIS 185           HE2      HIS 185 -14.744  -1.047 -11.011
  454    H    PHE 186           H        PHE 186 -11.765  -5.675  -5.938
  455    HA   PHE 186           HA       PHE 186  -9.733  -3.799  -6.329
  456    HB2  PHE 186           HB2      PHE 186 -10.394  -5.072  -4.207
  457    HB3  PHE 186           HB1      PHE 186  -9.396  -6.386  -4.821
  458    HD1  PHE 186           HD1      PHE 186  -9.294  -2.794  -3.923
  459    HD2  PHE 186           HD2      PHE 186  -7.112  -6.413  -4.402
  460    HE1  PHE 186           HE1      PHE 186  -7.327  -1.734  -2.920
  461    HE2  PHE 186           HE2      PHE 186  -5.133  -5.353  -3.399
  462    HZ   PHE 186           HZ       PHE 186  -5.234  -3.010  -2.654
  463    H    LYS 187           H        LYS 187  -9.874  -7.254  -7.100
  464    HA   LYS 187           HA       LYS 187  -7.207  -7.239  -8.221
  465    HB2  LYS 187           HB2      LYS 187  -9.366  -9.356  -8.369
  466    HB3  LYS 187           HB1      LYS 187  -7.689  -9.574  -8.854
  467    HG2  LYS 187           HG2      LYS 187  -7.002  -9.091  -6.526
  468    HG3  LYS 187           HG1      LYS 187  -8.703  -9.008  -6.076
  469    HD2  LYS 187           HD2      LYS 187  -8.025 -11.178  -5.494
  470    HD3  LYS 187           HD1      LYS 187  -8.904 -11.371  -7.010
  471    HE2  LYS 187           HE2      LYS 187  -5.929 -11.025  -7.015
  472    HE3  LYS 187           HE1      LYS 187  -6.634 -12.597  -6.659
  473    HZ1  LYS 187           HZ1      LYS 187  -6.084 -12.376  -8.995
  474    HZ2  LYS 187           HZ2      LYS 187  -7.088 -11.023  -9.142
  475    HZ3  LYS 187           HZ3      LYS 187  -7.759 -12.543  -8.796
  476    H    SER 188           H        SER 188  -9.431  -5.504  -9.350
  477    HA   SER 188           HA       SER 188  -8.813  -6.079 -12.142
  478    HB2  SER 188           HB2      SER 188 -11.642  -5.656 -11.146
  479    HB3  SER 188           HB1      SER 188 -11.158  -5.811 -12.834
  480    HG   SER 188           HG       SER 188 -10.154  -7.892 -11.589
  481    H    ILE 189           H        ILE 189  -8.033  -4.028 -10.141
  482    HA   ILE 189           HA       ILE 189  -9.323  -1.612 -11.133
  483    HB   ILE 189           HB       ILE 189  -7.094  -1.944  -9.116
  484   HG12  ILE 189          2HG1      ILE 189 -10.025  -1.308  -8.714
  485   HG13  ILE 189          1HG1      ILE 189  -9.264  -2.861  -8.378
  486   HG21  ILE 189          1HG2      ILE 189  -8.684   0.511  -9.855
  487   HG22  ILE 189          2HG2      ILE 189  -6.980   0.228 -10.209
  488   HG23  ILE 189          3HG2      ILE 189  -7.516   0.399  -8.538
  489   HD11  ILE 189          3HD1      ILE 189  -9.580  -1.598  -6.344
  490   HD12  ILE 189          1HD1      ILE 189  -8.654  -0.252  -7.009
  491   HD13  ILE 189          2HD1      ILE 189  -7.860  -1.793  -6.682
  492    HA   PRO 190           HA       PRO 190  -6.090  -0.993 -14.228
  493    HB2  PRO 190           HB2      PRO 190  -7.384   1.636 -14.489
  494    HB3  PRO 190           HB1      PRO 190  -7.155   0.376 -15.704
  495    HG2  PRO 190           HG2      PRO 190  -9.581   0.932 -14.685
  496    HG3  PRO 190           HG1      PRO 190  -9.106  -0.716 -15.134
  497    HD2  PRO 190           HD2      PRO 190  -9.214   0.550 -12.425
  498    HD3  PRO 190           HD1      PRO 190  -9.714  -1.079 -12.927
  499    H    VAL 191           H        VAL 191  -4.146   0.097 -14.119
  500    HA   VAL 191           HA       VAL 191  -3.827   2.299 -12.270
  501    HB   VAL 191           HB       VAL 191  -3.803   0.277 -10.821
  502   HG11  VAL 191          1HG1      VAL 191  -1.309  -0.438 -12.345
  503   HG12  VAL 191          2HG1      VAL 191  -2.833  -1.322 -12.354
  504   HG13  VAL 191          3HG1      VAL 191  -1.879  -1.228 -10.874
  505   HG21  VAL 191          3HG2      VAL 191  -1.871   0.865  -9.535
  506   HG22  VAL 191          1HG2      VAL 191  -2.592   2.330 -10.202
  507   HG23  VAL 191          2HG2      VAL 191  -1.132   1.657 -10.929
  508    H    ASN 192           H        ASN 192  -2.150   3.571 -12.807
  509    HA   ASN 192           HA       ASN 192  -0.497   2.720 -15.086
  510    HB2  ASN 192           HB2      ASN 192  -1.127   5.502 -14.053
  511    HB3  ASN 192           HB1      ASN 192  -0.072   5.154 -15.417
  512   HD21  ASN 192          1HD2      ASN 192  -1.332   6.321 -16.841
  513   HD22  ASN 192          2HD2      ASN 192  -2.887   5.764 -17.382
  514    H    GLU 193           H        GLU 193   1.456   2.029 -14.538
  515    HA   GLU 193           HA       GLU 193   2.374   1.855 -11.961
  516    HB2  GLU 193           HB2      GLU 193   3.161   0.507 -13.891
  517    HB3  GLU 193           HB1      GLU 193   4.123   1.880 -14.421
  518    HG2  GLU 193           HG2      GLU 193   5.434   1.776 -12.380
  519    HG3  GLU 193           HG1      GLU 193   4.439   0.444 -11.794
  520    H    LYS 194           H        LYS 194   3.811   4.083 -14.385
  521    HA   LYS 194           HA       LYS 194   5.554   5.259 -12.481
  522    HB2  LYS 194           HB2      LYS 194   6.088   5.315 -14.834
  523    HB3  LYS 194           HB1      LYS 194   4.651   6.270 -15.174
  524    HG2  LYS 194           HG2      LYS 194   5.547   8.131 -13.912
  525    HG3  LYS 194           HG1      LYS 194   6.959   7.172 -13.463
  526    HD2  LYS 194           HD2      LYS 194   7.672   7.052 -15.743
  527    HD3  LYS 194           HD1      LYS 194   6.191   7.836 -16.295
  528    HE2  LYS 194           HE2      LYS 194   6.825   9.860 -15.037
  529    HE3  LYS 194           HE1      LYS 194   8.327   9.071 -14.559
  530    HZ1  LYS 194           HZ1      LYS 194   9.049   9.015 -16.813
  531    HZ2  LYS 194           HZ2      LYS 194   8.528  10.599 -16.493
  532    HZ3  LYS 194           HZ3      LYS 194   7.543   9.549 -17.381
  533    H    ASP 195           H        ASP 195   2.450   6.326 -13.830
  534    HA   ASP 195           HA       ASP 195   2.403   8.847 -12.591
  535    HB2  ASP 195           HB2      ASP 195   0.886   8.291 -14.429
  536    HB3  ASP 195           HB1      ASP 195   0.070   7.103 -13.415
  537    H    THR 196           H        THR 196   1.197   5.701 -11.543
  538    HA   THR 196           HA       THR 196  -0.061   6.614  -9.193
  539    HB   THR 196           HB       THR 196   1.039   3.878  -9.857
  540    HG1  THR 196           HG1      THR 196  -0.957   5.241 -10.895
  541   HG21  THR 196          3HG2      THR 196  -0.565   3.069  -8.170
  542   HG22  THR 196          1HG2      THR 196  -0.944   4.738  -7.748
  543   HG23  THR 196          2HG2      THR 196   0.677   4.101  -7.460
  544    H    LEU 197           H        LEU 197   3.237   5.461  -9.849
  545    HA   LEU 197           HA       LEU 197   4.175   5.534  -7.201
  546    HB2  LEU 197           HB2      LEU 197   5.708   6.217  -9.715
  547    HB3  LEU 197           HB1      LEU 197   6.420   5.862  -8.155
  548    HG   LEU 197           HG       LEU 197   5.040   3.975 -10.042
  549   HD11  LEU 197          1HD1      LEU 197   7.382   4.342 -10.452
  550   HD12  LEU 197          2HD1      LEU 197   7.156   2.733  -9.760
  551   HD13  LEU 197          3HD1      LEU 197   7.760   4.053  -8.754
  552   HD21  LEU 197          3HD2      LEU 197   5.240   2.248  -8.335
  553   HD22  LEU 197          1HD2      LEU 197   4.160   3.540  -7.811
  554   HD23  LEU 197          2HD2      LEU 197   5.804   3.450  -7.174
  555    H    THR 198           H        THR 198   4.075   8.018  -9.716
  556    HA   THR 198           HA       THR 198   5.295  10.088  -8.282
  557    HB   THR 198           HB       THR 198   3.121  10.396 -10.365
  558    HG1  THR 198           HG1      THR 198   5.341   9.135 -10.698
  559   HG21  THR 198          3HG2      THR 198   4.254  12.516 -10.857
  560   HG22  THR 198          1HG2      THR 198   5.391  12.209  -9.547
  561   HG23  THR 198          2HG2      THR 198   3.683  12.463  -9.188
  562    H    CYS 199           H        CYS 199   1.880   9.184  -8.599
  563    HA   CYS 199           HA       CYS 199   0.784  11.244  -7.051
  564    HB2  CYS 199           HB2      CYS 199  -0.235   8.420  -7.423
  565    HB3  CYS 199           HB1      CYS 199  -1.183   9.789  -6.845
  566    HG   CYS 199           HG       CYS 199  -0.095   9.132  -9.991
  567    H    PHE 200           H        PHE 200   1.682   7.921  -6.119
  568    HA   PHE 200           HA       PHE 200   0.883   8.056  -3.459
  569    HB2  PHE 200           HB2      PHE 200   1.462   5.936  -4.426
  570    HB3  PHE 200           HB1      PHE 200   3.113   6.472  -4.740
  571    HD1  PHE 200           HD2      PHE 200   0.776   6.247  -1.827
  572    HD2  PHE 200           HD1      PHE 200   4.719   5.657  -3.327
  573    HE1  PHE 200           HE2      PHE 200   1.479   5.376   0.364
  574    HE2  PHE 200           HE1      PHE 200   5.424   4.784  -1.138
  575    HZ   PHE 200           HZ       PHE 200   3.804   4.644   0.711
  576    H    ILE 201           H        ILE 201   4.155   8.580  -4.769
  577    HA   ILE 201           HA       ILE 201   5.406   9.212  -2.368
  578    HB   ILE 201           HB       ILE 201   6.057  10.309  -5.114
  579   HG12  ILE 201          2HG1      ILE 201   7.227   7.901  -3.705
  580   HG13  ILE 201          1HG1      ILE 201   5.956   7.804  -4.920
  581   HG21  ILE 201          1HG2      ILE 201   7.758  10.089  -2.631
  582   HG22  ILE 201          2HG2      ILE 201   7.158  11.580  -3.359
  583   HG23  ILE 201          3HG2      ILE 201   8.332  10.585  -4.222
  584   HD11  ILE 201          3HD1      ILE 201   7.511   8.909  -6.522
  585   HD12  ILE 201          1HD1      ILE 201   8.039   7.318  -5.969
  586   HD13  ILE 201          2HD1      ILE 201   8.774   8.776  -5.298
  587    H    TYR 202           H        TYR 202   3.880  11.344  -4.748
  588    HA   TYR 202           HA       TYR 202   4.463  13.779  -3.476
  589    HB2  TYR 202           HB2      TYR 202   3.470  13.159  -5.866
  590    HB3  TYR 202           HB1      TYR 202   1.946  13.485  -5.052
  591    HD1  TYR 202           HD1      TYR 202   1.532  15.765  -4.098
  592    HD2  TYR 202           HD2      TYR 202   4.916  14.898  -6.523
  593    HE1  TYR 202           HE1      TYR 202   1.855  18.170  -4.498
  594    HE2  TYR 202           HE2      TYR 202   5.248  17.298  -6.927
  595    HH   TYR 202           HH       TYR 202   3.915  19.366  -6.911
  596    H    SER 203           H        SER 203   1.677  11.607  -3.230
  597    HA   SER 203           HA       SER 203   0.060  13.272  -1.643
  598    HB2  SER 203           HB2      SER 203   0.125  10.253  -1.802
  599    HB3  SER 203           HB1      SER 203  -1.176  11.209  -1.091
  600    HG   SER 203           HG       SER 203  -0.340  11.139  -3.802
  601    H    VAL 204           H        VAL 204   2.449  10.794  -0.758
  602    HA   VAL 204           HA       VAL 204   1.949  10.949   2.035
  603    HB   VAL 204           HB       VAL 204   4.457  10.018   0.628
  604   HG11  VAL 204          1HG1      VAL 204   3.446   9.480   3.418
  605   HG12  VAL 204          2HG1      VAL 204   4.844  10.464   2.985
  606   HG13  VAL 204          3HG1      VAL 204   4.858   8.728   2.676
  607   HG21  VAL 204          3HG2      VAL 204   3.520   7.772   0.876
  608   HG22  VAL 204          1HG2      VAL 204   2.500   8.799  -0.131
  609   HG23  VAL 204          2HG2      VAL 204   2.040   8.466   1.539
  610    H    ARG 205           H        ARG 205   3.970  12.757  -0.168
  611    HA   ARG 205           HA       ARG 205   5.456  14.108   1.858
  612    HB2  ARG 205           HB2      ARG 205   4.877  14.958  -0.986
  613    HB3  ARG 205           HB1      ARG 205   6.066  15.698   0.076
  614    HG2  ARG 205           HG2      ARG 205   6.110  12.875  -0.959
  615    HG3  ARG 205           HG1      ARG 205   7.132  14.207  -1.496
  616    HD2  ARG 205           HD2      ARG 205   7.096  12.989   1.263
  617    HD3  ARG 205           HD1      ARG 205   8.328  12.729   0.029
  618    HE   ARG 205           HE       ARG 205   7.812  15.328   1.343
  619   HH11  ARG 205          1HH1      ARG 205   9.970  13.019  -0.182
  620   HH12  ARG 205          2HH1      ARG 205  11.400  13.954   0.153
  621   HH21  ARG 205          1HH2      ARG 205   9.685  16.560   1.756
  622   HH22  ARG 205          2HH2      ARG 205  11.234  15.982   1.229
  623    H    ASN 206           H        ASN 206   2.267  14.364   0.690
  624    HA   ASN 206           HA       ASN 206   1.923  17.112   1.606
  625    HB2  ASN 206           HB2      ASN 206   0.033  15.177   0.253
  626    HB3  ASN 206           HB1      ASN 206  -0.458  16.768   0.821
  627   HD21  ASN 206          1HD2      ASN 206  -0.457  15.692  -1.870
  628   HD22  ASN 206          2HD2      ASN 206   0.538  16.743  -2.810
  629    H    ASP 207           H        ASP 207   0.755  13.838   2.363
  630    HA   ASP 207           HA       ASP 207   0.415  14.468   5.119
  631    HB2  ASP 207           HB2      ASP 207  -1.692  15.390   3.874
  632    HB3  ASP 207           HB1      ASP 207  -2.138  13.694   3.725
  633    H    LYS 208           H        LYS 208  -0.564  12.539   6.232
  634    HA   LYS 208           HA       LYS 208   0.523  10.122   5.036
  635    HB2  LYS 208           HB2      LYS 208  -0.306  10.871   7.822
  636    HB3  LYS 208           HB1      LYS 208  -0.106   9.183   7.377
  637    HG2  LYS 208           HG2      LYS 208   1.919   9.872   8.371
  638    HG3  LYS 208           HG1      LYS 208   2.221   9.754   6.640
  639    HD2  LYS 208           HD2      LYS 208   1.904  12.208   6.467
  640    HD3  LYS 208           HD1      LYS 208   1.739  12.277   8.223
  641    HE2  LYS 208           HE2      LYS 208   3.994  11.264   8.426
  642    HE3  LYS 208           HE1      LYS 208   4.152  11.343   6.673
  643    HZ1  LYS 208           HZ1      LYS 208   3.855  13.635   8.538
  644    HZ2  LYS 208           HZ2      LYS 208   3.849  13.773   6.850
  645    HZ3  LYS 208           HZ3      LYS 208   5.243  13.221   7.650
  646    H    ASN 209           H        ASN 209  -2.448  11.682   5.325
  647    HA   ASN 209           HA       ASN 209  -3.757   9.490   4.038
  648    HB2  ASN 209           HB2      ASN 209  -5.444   8.954   5.614
  649    HB3  ASN 209           HB1      ASN 209  -3.923   8.863   6.489
  650   HD21  ASN 209          1HD2      ASN 209  -3.650  11.754   6.816
  651   HD22  ASN 209          2HD2      ASN 209  -4.847  12.222   7.975
  652    H    LYS 210           H        LYS 210  -5.747  10.063   3.099
  653    HA   LYS 210           HA       LYS 210  -7.164  11.472   2.011
  654    HB2  LYS 210           HB2      LYS 210  -7.121  12.746   4.747
  655    HB3  LYS 210           HB1      LYS 210  -8.216  13.245   3.468
  656    HG2  LYS 210           HG2      LYS 210  -9.171  10.985   3.418
  657    HG3  LYS 210           HG1      LYS 210  -8.090  10.515   4.732
  658    HD2  LYS 210           HD2      LYS 210 -10.365  11.079   5.518
  659    HD3  LYS 210           HD1      LYS 210  -9.126  12.128   6.211
  660    HE2  LYS 210           HE2      LYS 210  -9.688  13.883   4.634
  661    HE3  LYS 210           HE1      LYS 210 -10.849  12.825   3.834
  662    HZ1  LYS 210           HZ1      LYS 210 -12.237  12.855   5.741
  663    HZ2  LYS 210           HZ2      LYS 210 -11.822  14.465   5.406
  664    HZ3  LYS 210           HZ3      LYS 210 -11.062  13.645   6.673
  665    H    SER 211           H        SER 211  -4.591  12.012   1.324
  666    HA   SER 211           HA       SER 211  -3.549  14.527   1.730
  667    HB2  SER 211           HB2      SER 211  -3.452  12.980  -0.869
  668    HB3  SER 211           HB1      SER 211  -2.290  14.183  -0.311
  669    HG   SER 211           HG       SER 211  -1.413  12.754   0.999
  670    H    ASP 212           H        ASP 212  -4.541  16.411   1.525
  671    HA   ASP 212           HA       ASP 212  -6.864  16.717  -0.123
  672    HB2  ASP 212           HB2      ASP 212  -6.574  17.805   2.111
  673    HB3  ASP 212           HB1      ASP 212  -5.339  18.840   1.405
  674    H    LEU 213           H        LEU 213  -7.028  17.584  -2.089
  675    HA   LEU 213           HA       LEU 213  -4.872  19.168  -3.215
  676    HB2  LEU 213           HB2      LEU 213  -4.259  16.769  -3.599
  677    HB3  LEU 213           HB1      LEU 213  -5.730  16.591  -4.536
  678    HG   LEU 213           HG       LEU 213  -4.885  18.282  -6.139
  679   HD11  LEU 213          1HD1      LEU 213  -2.503  18.902  -6.026
  680   HD12  LEU 213          2HD1      LEU 213  -2.396  18.134  -4.442
  681   HD13  LEU 213          3HD1      LEU 213  -3.432  19.545  -4.671
  682   HD21  LEU 213          3HD2      LEU 213  -4.541  15.914  -6.571
  683   HD22  LEU 213          1HD2      LEU 213  -3.052  15.944  -5.628
  684   HD23  LEU 213          2HD2      LEU 213  -3.158  16.853  -7.136
  685    H    LYS 214           H        LYS 214  -7.930  17.483  -3.762
  686    HA   LYS 214           HA       LYS 214  -9.297  19.847  -4.504
  687    HB2  LYS 214           HB2      LYS 214  -9.875  19.209  -6.832
  688    HB3  LYS 214           HB1      LYS 214  -8.171  19.598  -6.639
  689    HG2  LYS 214           HG2      LYS 214  -7.614  17.238  -6.600
  690    HG3  LYS 214           HG1      LYS 214  -9.323  16.817  -6.735
  691    HD2  LYS 214           HD2      LYS 214  -9.447  17.845  -8.915
  692    HD3  LYS 214           HD1      LYS 214  -7.788  18.429  -8.770
  693    HE2  LYS 214           HE2      LYS 214  -8.663  15.545  -8.874
  694    HE3  LYS 214           HE1      LYS 214  -7.883  16.445 -10.176
  695    HZ1  LYS 214           HZ1      LYS 214  -5.971  16.773  -8.648
  696    HZ2  LYS 214           HZ2      LYS 214  -6.233  15.155  -9.084
  697    HZ3  LYS 214           HZ3      LYS 214  -6.707  15.706  -7.552
  698    H    ALA 215           H        ALA 215 -11.576  19.240  -5.346
  699    HA   ALA 215           HA       ALA 215 -12.533  17.149  -3.578
  700    HB1  ALA 215           HB1      ALA 215 -14.074  19.066  -5.327
  701    HB2  ALA 215           HB2      ALA 215 -13.672  19.314  -3.627
  702    HB3  ALA 215           HB3      ALA 215 -14.756  18.004  -4.095
  703    H    ASP 216           H        ASP 216 -13.273  18.004  -6.953
  704    HA   ASP 216           HA       ASP 216 -12.814  15.355  -7.915
  705    HB2  ASP 216           HB2      ASP 216 -14.988  14.953  -6.867
  706    HB3  ASP 216           HB1      ASP 216 -15.677  16.327  -7.724
  707    H    SER 217           H        SER 217 -12.669  15.307 -10.133
  708    HA   SER 217           HA       SER 217 -13.472  17.660 -11.645
  709    HB2  SER 217           HB2      SER 217 -11.126  17.732 -12.664
  710    HB3  SER 217           HB1      SER 217 -11.295  18.358 -11.024
  711    HG   SER 217           HG       SER 217  -9.958  16.106 -11.951
  712    H    GLY 218           H        GLY 218 -13.911  14.608 -11.433
  713    HA2  GLY 218           HA2      GLY 218 -14.974  13.468 -13.266
  714    HA3  GLY 218           HA1      GLY 218 -13.812  14.213 -14.353
  715    H    VAL 219           H        VAL 219 -12.137  13.020 -14.990
  716    HA   VAL 219           HA       VAL 219 -11.714  10.467 -13.584
  717    HB   VAL 219           HB       VAL 219 -10.714   9.620 -15.659
  718   HG11  VAL 219          1HG1      VAL 219 -13.089   9.293 -15.279
  719   HG12  VAL 219          2HG1      VAL 219 -12.761   9.521 -16.996
  720   HG13  VAL 219          3HG1      VAL 219 -13.442  10.842 -16.047
  721   HG21  VAL 219          3HG2      VAL 219 -10.886  10.908 -17.738
  722   HG22  VAL 219          1HG2      VAL 219  -9.832  11.698 -16.566
  723   HG23  VAL 219          2HG2      VAL 219 -11.470  12.299 -16.824
  724    H    HIS 220           H        HIS 220 -10.312  13.474 -14.056
  725    HA   HIS 220           HA       HIS 220  -7.925  12.625 -12.702
  726    HB2  HIS 220           HB2      HIS 220  -6.327  13.589 -14.292
  727    HB3  HIS 220           HB1      HIS 220  -7.220  12.271 -15.030
  728    HD1  HIS 220           HD1      HIS 220  -8.259  12.745 -17.229
  729    HD2  HIS 220           HD2      HIS 220  -7.259  16.231 -15.197
  730    HE1  HIS 220           HE1      HIS 220  -8.693  14.620 -18.846
  731    HE2  HIS 220           HE2      HIS 220  -7.935  16.703 -17.654
  732    H1   SER 454           HT1      SER 454  16.268   0.355 -19.787
  733    H2   SER 454           HT2      SER 454  17.702  -0.489 -20.093
  734    H3   SER 454           HT3      SER 454  16.266  -0.954 -20.863
  735    HA   SER 454           HA       SER 454  17.705   0.228 -22.371
  736    HB2  SER 454           HB2      SER 454  15.261   1.835 -21.575
  737    HB3  SER 454           HB1      SER 454  16.062   1.872 -23.146
  738    HG   SER 454           HG       SER 454  15.547  -0.368 -23.359
  739    H    ASN 455           H        ASN 455  16.336   2.850 -20.383
  740    HA   ASN 455           HA       ASN 455  18.899   4.240 -20.632
  741    HB2  ASN 455           HB2      ASN 455  17.650   6.260 -19.997
  742    HB3  ASN 455           HB1      ASN 455  16.904   5.463 -21.379
  743   HD21  ASN 455          1HD2      ASN 455  16.493   6.545 -18.163
  744   HD22  ASN 455          2HD2      ASN 455  14.858   6.008 -17.960
  745    H    ALA 456           H        ALA 456  19.944   5.156 -18.847
  746    HA   ALA 456           HA       ALA 456  19.039   4.213 -16.210
  747    HB1  ALA 456           HB1      ALA 456  21.876   4.068 -17.229
  748    HB2  ALA 456           HB2      ALA 456  20.792   2.695 -16.998
  749    HB3  ALA 456           HB3      ALA 456  21.333   3.639 -15.609
  750    H    SER 457           H        SER 457  18.790   5.884 -14.902
  751    HA   SER 457           HA       SER 457  19.880   8.463 -15.675
  752    HB2  SER 457           HB2      SER 457  18.068   7.768 -13.352
  753    HB3  SER 457           HB1      SER 457  18.382   9.378 -14.000
  754    HG   SER 457           HG       SER 457  17.565   8.104 -16.067
  755    H    LYS 458           H        LYS 458  21.575   9.441 -14.741
  756    HA   LYS 458           HA       LYS 458  23.161   8.192 -12.755
  757    HB2  LYS 458           HB2      LYS 458  23.097  11.060 -13.715
  758    HB3  LYS 458           HB1      LYS 458  24.320  10.410 -12.634
  759    HG2  LYS 458           HG2      LYS 458  25.082   8.886 -14.338
  760    HG3  LYS 458           HG1      LYS 458  23.788   9.402 -15.420
  761    HD2  LYS 458           HD2      LYS 458  25.888  10.476 -16.018
  762    HD3  LYS 458           HD1      LYS 458  24.718  11.667 -15.447
  763    HE2  LYS 458           HE2      LYS 458  26.841  12.191 -14.481
  764    HE3  LYS 458           HE1      LYS 458  25.803  11.558 -13.207
  765    HZ1  LYS 458           HZ1      LYS 458  26.903   9.383 -13.505
  766    HZ2  LYS 458           HZ2      LYS 458  27.975  10.599 -13.010
  767    HZ3  LYS 458           HZ3      LYS 458  27.962  10.089 -14.624
  768    H    HIS 459           H        HIS 459  20.696  10.696 -12.684
  769    HA   HIS 459           HA       HIS 459  20.442  10.266  -9.797
  770    HB2  HIS 459           HB2      HIS 459  21.664  12.345  -9.975
  771    HB3  HIS 459           HB1      HIS 459  20.533  12.957 -11.177
  772    HD1  HIS 459           HD1      HIS 459  18.857  14.514 -10.268
  773    HD2  HIS 459           HD2      HIS 459  20.186  11.820  -7.388
  774    HE1  HIS 459           HE1      HIS 459  17.670  15.150  -8.142
  775    HE2  HIS 459           HE2      HIS 459  18.441  13.476  -6.426
  776    H    GLY 460           H        GLY 460  18.513   9.379  -9.571
  777    HA2  GLY 460           HA2      GLY 460  16.286  10.385 -11.224
  778    HA3  GLY 460           HA1      GLY 460  16.306   8.850 -10.365
  779    H    VAL 461           H        VAL 461  14.837   8.878  -8.807
  780    HA   VAL 461           HA       VAL 461  14.155  11.346  -7.439
  781    HB   VAL 461           HB       VAL 461  13.120   8.545  -6.943
  782   HG11  VAL 461          1HG1      VAL 461  12.772  10.012  -5.039
  783   HG12  VAL 461          2HG1      VAL 461  11.238   9.684  -5.846
  784   HG13  VAL 461          3HG1      VAL 461  12.048  11.231  -6.087
  785   HG21  VAL 461          3HG2      VAL 461  12.638   9.276  -9.225
  786   HG22  VAL 461          1HG2      VAL 461  11.929  10.766  -8.605
  787   HG23  VAL 461          2HG2      VAL 461  11.166   9.214  -8.256
  788    H    GLY 462           H        GLY 462  15.876   8.346  -6.810
  789    HA2  GLY 462           HA2      GLY 462  17.806   8.623  -5.284
  790    HA3  GLY 462           HA1      GLY 462  16.713   9.485  -4.211
  791    H    THR 463           H        THR 463  16.146   8.341  -2.509
  792    HA   THR 463           HA       THR 463  16.596   5.515  -2.405
  793    HB   THR 463           HB       THR 463  15.385   5.905  -0.088
  794    HG1  THR 463           HG1      THR 463  14.769   8.110  -0.764
  795   HG21  THR 463          3HG2      THR 463  17.763   5.334  -0.452
  796   HG22  THR 463          1HG2      THR 463  17.542   6.485   0.867
  797   HG23  THR 463          2HG2      THR 463  18.113   7.046  -0.704
  798    H    GLU 464           H        GLU 464  13.837   7.559  -2.911
  799    HA   GLU 464           HA       GLU 464  11.820   5.694  -2.335
  800    HB2  GLU 464           HB2      GLU 464  11.867   8.037  -4.239
  801    HB3  GLU 464           HB1      GLU 464  10.424   7.087  -3.922
  802    HG2  GLU 464           HG2      GLU 464  10.214   8.946  -2.533
  803    HG3  GLU 464           HG1      GLU 464  10.779   7.665  -1.465
  804    H    SER 465           H        SER 465  13.639   6.351  -5.296
  805    HA   SER 465           HA       SER 465  12.314   4.435  -6.907
  806    HB2  SER 465           HB2      SER 465  15.168   5.409  -7.198
  807    HB3  SER 465           HB1      SER 465  14.119   4.774  -8.467
  808    HG   SER 465           HG       SER 465  13.783   6.861  -8.743
  809    H    LEU 466           H        LEU 466  14.959   4.291  -4.632
  810    HA   LEU 466           HA       LEU 466  15.895   1.694  -5.210
  811    HB2  LEU 466           HB2      LEU 466  17.138   3.274  -3.812
  812    HB3  LEU 466           HB1      LEU 466  15.869   3.231  -2.605
  813    HG   LEU 466           HG       LEU 466  16.378   0.796  -2.267
  814   HD11  LEU 466          1HD1      LEU 466  18.497  -0.063  -3.084
  815   HD12  LEU 466          2HD1      LEU 466  18.786   1.445  -3.954
  816   HD13  LEU 466          3HD1      LEU 466  17.452   0.394  -4.430
  817   HD21  LEU 466          3HD2      LEU 466  18.627   2.746  -1.789
  818   HD22  LEU 466          1HD2      LEU 466  18.400   1.210  -0.955
  819   HD23  LEU 466          2HD2      LEU 466  17.223   2.508  -0.751
  820    H    PHE 467           H        PHE 467  13.505   2.899  -2.881
  821    HA   PHE 467           HA       PHE 467  12.605   0.536  -1.793
  822    HB2  PHE 467           HB2      PHE 467  11.816   2.659  -0.985
  823    HB3  PHE 467           HB1      PHE 467  11.072   3.032  -2.535
  824    HD1  PHE 467           HD2      PHE 467  10.901   0.563   0.254
  825    HD2  PHE 467           HD1      PHE 467   8.827   2.599  -2.853
  826    HE1  PHE 467           HE2      PHE 467   8.780  -0.405   1.041
  827    HE2  PHE 467           HE1      PHE 467   6.702   1.641  -2.067
  828    HZ   PHE 467           HZ       PHE 467   6.676   0.135  -0.120
  829    H    PHE 468           H        PHE 468  11.193   2.144  -4.669
  830    HA   PHE 468           HA       PHE 468   9.331   0.091  -5.157
  831    HB2  PHE 468           HB2      PHE 468  10.432   2.200  -7.016
  832    HB3  PHE 468           HB1      PHE 468   9.085   1.138  -7.417
  833    HD1  PHE 468           HD1      PHE 468   7.226   1.076  -5.477
  834    HD2  PHE 468           HD2      PHE 468   9.885   4.297  -6.276
  835    HE1  PHE 468           HE1      PHE 468   5.663   2.632  -4.387
  836    HE2  PHE 468           HE2      PHE 468   8.330   5.856  -5.185
  837    HZ   PHE 468           HZ       PHE 468   6.216   5.027  -4.240
  838    H    ASP 469           H        ASP 469  12.645   0.505  -6.251
  839    HA   ASP 469           HA       ASP 469  12.642  -1.521  -8.220
  840    HB2  ASP 469           HB2      ASP 469  14.489   0.049  -8.076
  841    HB3  ASP 469           HB1      ASP 469  14.885  -0.513  -6.455
  842    H    LYS 470           H        LYS 470  13.390  -1.588  -4.756
  843    HA   LYS 470           HA       LYS 470  13.947  -4.343  -4.590
  844    HB2  LYS 470           HB2      LYS 470  12.937  -2.394  -2.520
  845    HB3  LYS 470           HB1      LYS 470  13.369  -4.057  -2.150
  846    HG2  LYS 470           HG2      LYS 470  15.649  -3.667  -2.778
  847    HG3  LYS 470           HG1      LYS 470  15.256  -2.047  -3.355
  848    HD2  LYS 470           HD2      LYS 470  14.688  -1.344  -1.113
  849    HD3  LYS 470           HD1      LYS 470  14.935  -2.981  -0.505
  850    HE2  LYS 470           HE2      LYS 470  17.085  -1.328  -1.815
  851    HE3  LYS 470           HE1      LYS 470  16.827  -1.400  -0.073
  852    HZ1  LYS 470           HZ1      LYS 470  17.496  -3.709  -1.827
  853    HZ2  LYS 470           HZ2      LYS 470  17.230  -3.784  -0.150
  854    HZ3  LYS 470           HZ3      LYS 470  18.555  -2.924  -0.760
  855    H    VAL 471           H        VAL 471  10.932  -2.512  -4.154
  856    HA   VAL 471           HA       VAL 471   9.246  -4.634  -3.467
  857    HB   VAL 471           HB       VAL 471   8.557  -2.195  -5.124
  858   HG11  VAL 471          1HG1      VAL 471   6.260  -2.555  -4.343
  859   HG12  VAL 471          2HG1      VAL 471   6.768  -4.053  -3.563
  860   HG13  VAL 471          3HG1      VAL 471   6.842  -3.904  -5.318
  861   HG21  VAL 471          3HG2      VAL 471   8.372  -2.645  -2.150
  862   HG22  VAL 471          1HG2      VAL 471   7.813  -1.214  -3.015
  863   HG23  VAL 471          2HG2      VAL 471   9.534  -1.604  -2.974
  864    H    ARG 472           H        ARG 472  10.190  -3.390  -6.637
  865    HA   ARG 472           HA       ARG 472   8.625  -5.002  -8.266
  866    HB2  ARG 472           HB2      ARG 472  10.952  -3.301  -8.542
  867    HB3  ARG 472           HB1      ARG 472  11.055  -4.694  -9.606
  868    HG2  ARG 472           HG2      ARG 472   8.720  -2.798  -9.473
  869    HG3  ARG 472           HG1      ARG 472  10.015  -2.735 -10.672
  870    HD2  ARG 472           HD2      ARG 472   9.418  -4.934 -11.480
  871    HD3  ARG 472           HD1      ARG 472   8.197  -5.094 -10.220
  872    HE   ARG 472           HE       ARG 472   7.591  -2.805 -11.687
  873   HH11  ARG 472          1HH1      ARG 472   7.816  -6.246 -12.205
  874   HH12  ARG 472          2HH1      ARG 472   6.577  -6.289 -13.422
  875   HH21  ARG 472          1HH2      ARG 472   5.943  -2.824 -13.275
  876   HH22  ARG 472          2HH2      ARG 472   5.502  -4.341 -14.027
  877    H    LYS 473           H        LYS 473  11.923  -5.604  -7.067
  878    HA   LYS 473           HA       LYS 473  12.054  -8.158  -8.376
  879    HB2  LYS 473           HB2      LYS 473  14.044  -6.734  -8.025
  880    HB3  LYS 473           HB1      LYS 473  13.893  -6.971  -6.290
  881    HG2  LYS 473           HG2      LYS 473  14.263  -9.369  -6.583
  882    HG3  LYS 473           HG1      LYS 473  14.410  -9.134  -8.325
  883    HD2  LYS 473           HD2      LYS 473  16.373  -7.746  -7.999
  884    HD3  LYS 473           HD1      LYS 473  16.201  -7.878  -6.248
  885    HE2  LYS 473           HE2      LYS 473  17.916  -9.401  -7.045
  886    HE3  LYS 473           HE1      LYS 473  16.544 -10.300  -6.403
  887    HZ1  LYS 473           HZ1      LYS 473  17.140  -9.822  -9.276
  888    HZ2  LYS 473           HZ2      LYS 473  15.764 -10.624  -8.693
  889    HZ3  LYS 473           HZ3      LYS 473  17.301 -11.293  -8.444
  890    H    ALA 474           H        ALA 474  11.025  -7.041  -5.262
  891    HA   ALA 474           HA       ALA 474  11.374  -9.563  -3.935
  892    HB1  ALA 474           HB1      ALA 474  11.462  -7.452  -2.699
  893    HB2  ALA 474           HB2      ALA 474  10.218  -8.529  -2.064
  894    HB3  ALA 474           HB3      ALA 474   9.763  -7.162  -3.080
  895    H    LEU 475           H        LEU 475   8.635  -7.833  -5.383
  896    HA   LEU 475           HA       LEU 475   6.767  -9.849  -4.541
  897    HB2  LEU 475           HB2      LEU 475   6.410  -7.585  -6.504
  898    HB3  LEU 475           HB1      LEU 475   5.125  -8.600  -5.883
  899    HG   LEU 475           HG       LEU 475   6.781  -6.611  -4.339
  900   HD11  LEU 475          1HD1      LEU 475   4.606  -5.575  -3.905
  901   HD12  LEU 475          2HD1      LEU 475   3.827  -6.794  -4.913
  902   HD13  LEU 475          3HD1      LEU 475   4.962  -5.651  -5.631
  903   HD21  LEU 475          3HD2      LEU 475   5.517  -7.280  -2.369
  904   HD22  LEU 475          1HD2      LEU 475   6.470  -8.625  -2.994
  905   HD23  LEU 475          2HD2      LEU 475   4.733  -8.562  -3.295
  906    H    ARG 476           H        ARG 476   8.271  -8.911  -7.598
  907    HA   ARG 476           HA       ARG 476   8.751 -10.062  -9.485
  908    HB2  ARG 476           HB2      ARG 476   7.862 -12.469  -7.893
  909    HB3  ARG 476           HB1      ARG 476   8.614 -12.542  -9.481
  910    HG2  ARG 476           HG2      ARG 476  10.634 -11.527  -8.597
  911    HG3  ARG 476           HG1      ARG 476   9.882 -11.390  -7.005
  912    HD2  ARG 476           HD2      ARG 476   9.650 -13.836  -6.931
  913    HD3  ARG 476           HD1      ARG 476  10.453 -13.949  -8.497
  914    HE   ARG 476           HE       ARG 476  12.069 -12.520  -6.669
  915   HH11  ARG 476          1HH1      ARG 476  10.976 -15.752  -7.427
  916   HH12  ARG 476          2HH1      ARG 476  12.361 -16.530  -6.713
  917   HH21  ARG 476          1HH2      ARG 476  13.882 -13.515  -5.730
  918   HH22  ARG 476          2HH2      ARG 476  14.012 -15.254  -5.713
  919    H    SER 477           H        SER 477   5.783 -11.416  -8.089
  920    HA   SER 477           HA       SER 477   4.515 -11.961 -10.540
  921    HB2  SER 477           HB2      SER 477   3.934 -12.873  -8.235
  922    HB3  SER 477           HB1      SER 477   3.132 -11.333  -7.930
  923    HG   SER 477           HG       SER 477   2.061 -13.402  -9.055
  924    H    ALA 478           H        ALA 478   3.596 -10.655 -11.962
  925    HA   ALA 478           HA       ALA 478   3.616  -7.880 -11.814
  926    HB1  ALA 478           HB1      ALA 478   1.877  -9.658 -13.515
  927    HB2  ALA 478           HB2      ALA 478   3.496  -9.086 -13.917
  928    HB3  ALA 478           HB3      ALA 478   2.162  -7.939 -13.789
  929    H    GLU 479           H        GLU 479   0.937 -10.141 -11.226
  930    HA   GLU 479           HA       GLU 479  -1.037  -8.169 -10.770
  931    HB2  GLU 479           HB2      GLU 479  -1.013 -10.900 -11.023
  932    HB3  GLU 479           HB1      GLU 479  -1.347 -10.710  -9.309
  933    HG2  GLU 479           HG2      GLU 479  -2.932  -9.225 -11.369
  934    HG3  GLU 479           HG1      GLU 479  -3.315 -10.891 -10.946
  935    H    ALA 480           H        ALA 480   1.370  -9.647  -8.705
  936    HA   ALA 480           HA       ALA 480   0.280  -8.699  -6.242
  937    HB1  ALA 480           HB1      ALA 480   2.399  -9.362  -5.258
  938    HB2  ALA 480           HB2      ALA 480   3.105  -9.549  -6.862
  939    HB3  ALA 480           HB3      ALA 480   1.803 -10.618  -6.340
  940    H    TYR 481           H        TYR 481   2.799  -7.540  -8.451
  941    HA   TYR 481           HA       TYR 481   3.457  -5.240  -6.907
  942    HB2  TYR 481           HB2      TYR 481   4.939  -6.217  -8.662
  943    HB3  TYR 481           HB1      TYR 481   3.804  -5.657  -9.886
  944    HD1  TYR 481           HD2      TYR 481   6.091  -4.499  -7.206
  945    HD2  TYR 481           HD1      TYR 481   3.909  -3.448 -10.705
  946    HE1  TYR 481           HE2      TYR 481   7.248  -2.331  -7.270
  947    HE2  TYR 481           HE1      TYR 481   5.062  -1.278 -10.780
  948    HH   TYR 481           HH       TYR 481   6.239   0.235  -9.247
  949    H    GLU 482           H        GLU 482   1.209  -5.894  -9.525
  950    HA   GLU 482           HA       GLU 482   0.248  -3.266  -9.846
  951    HB2  GLU 482           HB2      GLU 482  -0.167  -5.228 -11.394
  952    HB3  GLU 482           HB1      GLU 482  -1.334  -5.817 -10.219
  953    HG2  GLU 482           HG2      GLU 482  -2.734  -3.928 -10.530
  954    HG3  GLU 482           HG1      GLU 482  -1.511  -3.102 -11.493
  955    H    ASN 483           H        ASN 483  -0.656  -5.923  -7.700
  956    HA   ASN 483           HA       ASN 483  -2.875  -4.793  -6.459
  957    HB2  ASN 483           HB2      ASN 483  -2.109  -7.130  -6.145
  958    HB3  ASN 483           HB1      ASN 483  -0.751  -6.535  -5.192
  959   HD21  ASN 483          1HD2      ASN 483  -4.147  -7.092  -5.303
  960   HD22  ASN 483          2HD2      ASN 483  -4.445  -6.838  -3.616
  961    H    PHE 484           H        PHE 484   0.557  -4.529  -5.618
  962    HA   PHE 484           HA       PHE 484   0.366  -2.829  -3.427
  963    HB2  PHE 484           HB2      PHE 484   2.475  -3.822  -4.026
  964    HB3  PHE 484           HB1      PHE 484   2.460  -3.038  -5.601
  965    HD1  PHE 484           HD1      PHE 484   2.601  -2.314  -1.958
  966    HD2  PHE 484           HD2      PHE 484   3.525  -1.002  -5.904
  967    HE1  PHE 484           HE1      PHE 484   3.909  -0.450  -1.029
  968    HE2  PHE 484           HE2      PHE 484   4.833   0.864  -4.978
  969    HZ   PHE 484           HZ       PHE 484   5.027   1.142  -2.543
  970    H    LEU 485           H        LEU 485   0.527  -2.054  -6.883
  971    HA   LEU 485           HA       LEU 485   0.397   0.748  -6.546
  972    HB2  LEU 485           HB2      LEU 485  -0.320  -0.968  -8.917
  973    HB3  LEU 485           HB1      LEU 485  -0.142   0.773  -8.955
  974    HG   LEU 485           HG       LEU 485   2.053  -1.199  -8.336
  975   HD11  LEU 485          1HD1      LEU 485   1.560   0.546 -10.741
  976   HD12  LEU 485          2HD1      LEU 485   1.434  -1.213 -10.682
  977   HD13  LEU 485          3HD1      LEU 485   3.001  -0.432 -10.458
  978   HD21  LEU 485          3HD2      LEU 485   2.130   1.804  -8.586
  979   HD22  LEU 485          1HD2      LEU 485   3.529   0.746  -8.394
  980   HD23  LEU 485          2HD2      LEU 485   2.339   0.878  -7.099
  981    H    ARG 486           H        ARG 486  -2.076  -1.744  -6.772
  982    HA   ARG 486           HA       ARG 486  -4.315  -0.054  -7.091
  983    HB2  ARG 486           HB2      ARG 486  -3.886  -2.812  -6.122
  984    HB3  ARG 486           HB1      ARG 486  -5.325  -2.016  -5.502
  985    HG2  ARG 486           HG2      ARG 486  -5.869  -3.296  -7.460
  986    HG3  ARG 486           HG1      ARG 486  -6.047  -1.576  -7.813
  987    HD2  ARG 486           HD2      ARG 486  -4.430  -1.604  -9.349
  988    HD3  ARG 486           HD1      ARG 486  -3.384  -2.622  -8.363
  989    HE   ARG 486           HE       ARG 486  -4.860  -3.461 -10.563
  990   HH11  ARG 486          1HH1      ARG 486  -4.558  -4.503  -7.219
  991   HH12  ARG 486          2HH1      ARG 486  -4.559  -6.197  -7.617
  992   HH21  ARG 486          1HH2      ARG 486  -4.817  -5.691 -11.074
  993   HH22  ARG 486          2HH2      ARG 486  -4.668  -6.874  -9.797
  994    H    CYS 487           H        CYS 487  -2.624  -1.220  -4.208
  995    HA   CYS 487           HA       CYS 487  -4.227   0.078  -2.318
  996    HB2  CYS 487           HB2      CYS 487  -1.260  -0.487  -2.133
  997    HB3  CYS 487           HB1      CYS 487  -2.363  -0.225  -0.786
  998    HG   CYS 487           HG       CYS 487  -2.291  -2.928  -2.884
  999    H    LEU 488           H        LEU 488  -1.522   1.197  -4.268
 1000    HA   LEU 488           HA       LEU 488  -1.153   3.661  -2.941
 1001    HB2  LEU 488           HB2      LEU 488  -0.545   2.919  -5.799
 1002    HB3  LEU 488           HB1      LEU 488   0.029   4.354  -4.984
 1003    HG   LEU 488           HG       LEU 488   0.815   1.499  -4.478
 1004   HD11  LEU 488          1HD1      LEU 488   2.418   3.976  -5.113
 1005   HD12  LEU 488          2HD1      LEU 488   1.974   2.717  -6.269
 1006   HD13  LEU 488          3HD1      LEU 488   3.049   2.339  -4.922
 1007   HD21  LEU 488          3HD2      LEU 488   2.166   2.320  -2.606
 1008   HD22  LEU 488          1HD2      LEU 488   0.440   2.538  -2.314
 1009   HD23  LEU 488          2HD2      LEU 488   1.433   3.917  -2.791
 1010    H    VAL 489           H        VAL 489  -2.963   2.859  -5.931
 1011    HA   VAL 489           HA       VAL 489  -3.810   5.488  -6.416
 1012    HB   VAL 489           HB       VAL 489  -5.652   4.466  -7.801
 1013   HG11  VAL 489          1HG1      VAL 489  -4.116   3.629  -9.509
 1014   HG12  VAL 489          2HG1      VAL 489  -2.832   3.535  -8.303
 1015   HG13  VAL 489          3HG1      VAL 489  -3.511   5.101  -8.749
 1016   HG21  VAL 489          3HG2      VAL 489  -5.963   2.382  -6.599
 1017   HG22  VAL 489          1HG2      VAL 489  -4.308   1.894  -6.969
 1018   HG23  VAL 489          2HG2      VAL 489  -5.496   2.051  -8.267
 1019    H    ILE 490           H        ILE 490  -5.391   2.888  -4.566
 1020    HA   ILE 490           HA       ILE 490  -7.742   4.423  -4.091
 1021    HB   ILE 490           HB       ILE 490  -8.330   2.788  -2.381
 1022   HG12  ILE 490          2HG1      ILE 490  -5.561   1.677  -2.876
 1023   HG13  ILE 490          1HG1      ILE 490  -6.170   2.357  -1.371
 1024   HG21  ILE 490          1HG2      ILE 490  -8.811   2.283  -4.697
 1025   HG22  ILE 490          2HG2      ILE 490  -8.393   0.807  -3.827
 1026   HG23  ILE 490          3HG2      ILE 490  -7.213   1.564  -4.897
 1027   HD11  ILE 490          3HD1      ILE 490  -6.141  -0.034  -1.215
 1028   HD12  ILE 490          1HD1      ILE 490  -7.078  -0.179  -2.703
 1029   HD13  ILE 490          2HD1      ILE 490  -7.818   0.520  -1.259
 1030    H    PHE 491           H        PHE 491  -4.637   4.192  -2.483
 1031    HA   PHE 491           HA       PHE 491  -5.348   5.691  -0.179
 1032    HB2  PHE 491           HB2      PHE 491  -3.258   4.409  -0.297
 1033    HB3  PHE 491           HB1      PHE 491  -2.677   5.446  -1.593
 1034    HD1  PHE 491           HD1      PHE 491  -3.708   5.469   1.966
 1035    HD2  PHE 491           HD2      PHE 491  -1.471   7.378  -1.109
 1036    HE1  PHE 491           HE1      PHE 491  -2.692   6.960   3.637
 1037    HE2  PHE 491           HE2      PHE 491  -0.448   8.869   0.556
 1038    HZ   PHE 491           HZ       PHE 491  -1.060   8.664   2.934
 1039    H    ASN 492           H        ASN 492  -4.306   6.540  -3.420
 1040    HA   ASN 492           HA       ASN 492  -3.949   9.326  -2.908
 1041    HB2  ASN 492           HB2      ASN 492  -4.328   7.846  -5.520
 1042    HB3  ASN 492           HB1      ASN 492  -3.828   9.526  -5.377
 1043   HD21  ASN 492          1HD2      ASN 492  -2.144   9.045  -3.056
 1044   HD22  ASN 492          2HD2      ASN 492  -0.747   8.218  -3.640
 1045    H    GLN 493           H        GLN 493  -6.622   7.349  -4.025
 1046    HA   GLN 493           HA       GLN 493  -8.215   9.659  -4.766
 1047    HB2  GLN 493           HB2      GLN 493  -8.912   6.716  -4.724
 1048    HB3  GLN 493           HB1      GLN 493  -9.923   7.991  -5.390
 1049    HG2  GLN 493           HG2      GLN 493  -8.246   8.483  -7.067
 1050    HG3  GLN 493           HG1      GLN 493  -7.172   7.268  -6.377
 1051   HE21  GLN 493          1HE2      GLN 493  -8.251   7.438  -9.059
 1052   HE22  GLN 493          2HE2      GLN 493  -9.129   5.975  -9.324
 1053    H    GLU 494           H        GLU 494  -7.383   8.958  -1.906
 1054    HA   GLU 494           HA       GLU 494  -8.210   9.090   0.188
 1055    HB2  GLU 494           HB2      GLU 494  -9.180  11.166  -1.054
 1056    HB3  GLU 494           HB1      GLU 494 -10.713  10.310  -0.917
 1057    HG2  GLU 494           HG2      GLU 494 -10.261  10.125   1.540
 1058    HG3  GLU 494           HG1      GLU 494  -8.908  11.225   1.287
 1059    H    VAL 495           H        VAL 495  -8.573   6.618  -0.836
 1060    HA   VAL 495           HA       VAL 495 -11.295   5.833  -0.068
 1061    HB   VAL 495           HB       VAL 495  -9.129   4.322  -1.535
 1062   HG11  VAL 495          1HG1      VAL 495 -10.352   2.798  -0.068
 1063   HG12  VAL 495          2HG1      VAL 495 -10.727   2.494  -1.764
 1064   HG13  VAL 495          3HG1      VAL 495 -11.878   3.363  -0.750
 1065   HG21  VAL 495          3HG2      VAL 495 -10.291   5.988  -2.880
 1066   HG22  VAL 495          1HG2      VAL 495 -11.847   5.303  -2.407
 1067   HG23  VAL 495          2HG2      VAL 495 -10.732   4.359  -3.394
 1068    H    ILE 496           H        ILE 496  -7.887   4.979   0.534
 1069    HA   ILE 496           HA       ILE 496  -8.760   3.734   3.057
 1070    HB   ILE 496           HB       ILE 496  -6.711   2.413   3.032
 1071   HG12  ILE 496          2HG1      ILE 496  -6.180   3.640   0.314
 1072   HG13  ILE 496          1HG1      ILE 496  -5.318   4.055   1.791
 1073   HG21  ILE 496          1HG2      ILE 496  -8.724   1.510   1.966
 1074   HG22  ILE 496          2HG2      ILE 496  -7.257   0.922   1.186
 1075   HG23  ILE 496          3HG2      ILE 496  -8.211   2.193   0.422
 1076   HD11  ILE 496          3HD1      ILE 496  -4.036   2.519   0.423
 1077   HD12  ILE 496          1HD1      ILE 496  -5.358   1.355   0.471
 1078   HD13  ILE 496          2HD1      ILE 496  -4.493   1.765   1.952
 1079    H    SER 497           H        SER 497  -6.961   3.771   4.753
 1080    HA   SER 497           HA       SER 497  -5.768   6.457   4.819
 1081    HB2  SER 497           HB2      SER 497  -5.700   6.037   7.327
 1082    HB3  SER 497           HB1      SER 497  -7.314   6.195   6.632
 1083    HG   SER 497           HG       SER 497  -7.728   4.214   7.186
 1084    H    ARG 498           H        ARG 498  -3.775   6.321   6.516
 1085    HA   ARG 498           HA       ARG 498  -1.727   4.991   5.148
 1086    HB2  ARG 498           HB2      ARG 498  -1.317   6.956   6.558
 1087    HB3  ARG 498           HB1      ARG 498  -1.725   6.022   7.992
 1088    HG2  ARG 498           HG2      ARG 498   0.188   4.547   7.574
 1089    HG3  ARG 498           HG1      ARG 498   0.596   5.499   6.144
 1090    HD2  ARG 498           HD2      ARG 498   1.981   6.169   8.013
 1091    HD3  ARG 498           HD1      ARG 498   0.892   7.479   7.563
 1092    HE   ARG 498           HE       ARG 498  -0.320   5.972   9.597
 1093   HH11  ARG 498          1HH1      ARG 498   2.434   8.099   9.146
 1094   HH12  ARG 498          2HH1      ARG 498   2.409   8.671  10.788
 1095   HH21  ARG 498          1HH2      ARG 498  -0.334   6.740  11.752
 1096   HH22  ARG 498          2HH2      ARG 498   0.849   7.908  12.259
 1097    H    ALA 499           H        ALA 499  -3.353   4.180   8.202
 1098    HA   ALA 499           HA       ALA 499  -1.860   1.922   8.856
 1099    HB1  ALA 499           HB1      ALA 499  -3.751   1.245  10.236
 1100    HB2  ALA 499           HB2      ALA 499  -4.787   2.402   9.401
 1101    HB3  ALA 499           HB3      ALA 499  -3.446   2.976  10.393
 1102    H    GLU 500           H        GLU 500  -4.904   2.113   7.015
 1103    HA   GLU 500           HA       GLU 500  -5.202  -0.594   6.441
 1104    HB2  GLU 500           HB2      GLU 500  -5.914   1.666   4.564
 1105    HB3  GLU 500           HB1      GLU 500  -6.654   0.075   4.639
 1106    HG2  GLU 500           HG2      GLU 500  -6.806   2.170   6.792
 1107    HG3  GLU 500           HG1      GLU 500  -8.064   1.825   5.609
 1108    H    LEU 501           H        LEU 501  -3.486   1.934   4.656
 1109    HA   LEU 501           HA       LEU 501  -2.671   0.446   2.443
 1110    HB2  LEU 501           HB2      LEU 501  -2.514   2.858   2.517
 1111    HB3  LEU 501           HB1      LEU 501  -1.359   2.781   3.830
 1112    HG   LEU 501           HG       LEU 501   0.263   1.695   2.287
 1113   HD11  LEU 501          1HD1      LEU 501  -1.319   0.743   0.701
 1114   HD12  LEU 501          2HD1      LEU 501  -0.159   1.791  -0.116
 1115   HD13  LEU 501          3HD1      LEU 501  -1.798   2.362   0.193
 1116   HD21  LEU 501          3HD2      LEU 501  -0.806   4.382   1.431
 1117   HD22  LEU 501          1HD2      LEU 501   0.792   3.742   1.048
 1118   HD23  LEU 501          2HD2      LEU 501   0.358   4.085   2.723
 1119    H    VAL 502           H        VAL 502  -0.995   1.021   5.519
 1120    HA   VAL 502           HA       VAL 502   1.366  -0.381   4.840
 1121    HB   VAL 502           HB       VAL 502   0.227   0.212   7.581
 1122   HG11  VAL 502          1HG1      VAL 502   2.546  -0.006   8.365
 1123   HG12  VAL 502          2HG1      VAL 502   3.023  -0.547   6.756
 1124   HG13  VAL 502          3HG1      VAL 502   1.910  -1.519   7.720
 1125   HG21  VAL 502          3HG2      VAL 502   0.540   2.237   6.294
 1126   HG22  VAL 502          1HG2      VAL 502   2.187   1.752   5.886
 1127   HG23  VAL 502          2HG2      VAL 502   1.766   2.130   7.556
 1128    H    GLN 503           H        GLN 503  -1.659  -1.367   6.320
 1129    HA   GLN 503           HA       GLN 503  -0.675  -3.921   7.183
 1130    HB2  GLN 503           HB2      GLN 503  -3.486  -2.836   6.965
 1131    HB3  GLN 503           HB1      GLN 503  -3.061  -4.368   7.715
 1132    HG2  GLN 503           HG2      GLN 503  -1.898  -3.303   9.466
 1133    HG3  GLN 503           HG1      GLN 503  -1.923  -1.748   8.635
 1134   HE21  GLN 503          1HE2      GLN 503  -4.703  -2.107   7.791
 1135   HE22  GLN 503          2HE2      GLN 503  -5.665  -1.814   9.196
 1136    H    LEU 504           H        LEU 504  -2.285  -2.723   4.300
 1137    HA   LEU 504           HA       LEU 504  -3.306  -5.182   3.393
 1138    HB2  LEU 504           HB2      LEU 504  -2.643  -2.581   2.060
 1139    HB3  LEU 504           HB1      LEU 504  -3.235  -3.945   1.150
 1140    HG   LEU 504           HG       LEU 504  -4.690  -2.609   3.417
 1141   HD11  LEU 504          1HD1      LEU 504  -5.181  -2.538   0.446
 1142   HD12  LEU 504          2HD1      LEU 504  -4.565  -1.209   1.427
 1143   HD13  LEU 504          3HD1      LEU 504  -6.205  -1.807   1.681
 1144   HD21  LEU 504          3HD2      LEU 504  -5.542  -4.814   1.544
 1145   HD22  LEU 504          1HD2      LEU 504  -6.576  -4.013   2.729
 1146   HD23  LEU 504          2HD2      LEU 504  -5.205  -4.986   3.272
 1147    H    VAL 505           H        VAL 505  -0.258  -3.516   2.826
 1148    HA   VAL 505           HA       VAL 505   0.577  -5.513   0.898
 1149    HB   VAL 505           HB       VAL 505   1.046  -3.043   0.683
 1150   HG11  VAL 505          1HG1      VAL 505   3.072  -3.617   2.836
 1151   HG12  VAL 505          2HG1      VAL 505   1.691  -2.525   2.940
 1152   HG13  VAL 505          3HG1      VAL 505   3.027  -2.157   1.849
 1153   HG21  VAL 505          3HG2      VAL 505   2.206  -4.661  -0.701
 1154   HG22  VAL 505          1HG2      VAL 505   3.419  -4.897   0.559
 1155   HG23  VAL 505          2HG2      VAL 505   3.290  -3.341  -0.259
 1156    H    SER 506           H        SER 506   0.306  -5.825   4.038
 1157    HA   SER 506           HA       SER 506   2.906  -6.390   4.971
 1158    HB2  SER 506           HB2      SER 506   1.796  -7.532   6.868
 1159    HB3  SER 506           HB1      SER 506   1.143  -5.928   6.556
 1160    HG   SER 506           HG       SER 506  -0.709  -6.773   5.947
 1161    HA   PRO 507           HA       PRO 507   2.006 -11.054   3.877
 1162    HB2  PRO 507           HB2      PRO 507   0.174 -10.789   1.578
 1163    HB3  PRO 507           HB1      PRO 507   0.116 -11.922   2.930
 1164    HG2  PRO 507           HG2      PRO 507  -1.643  -9.925   2.736
 1165    HG3  PRO 507           HG1      PRO 507  -0.988 -10.418   4.310
 1166    HD2  PRO 507           HD2      PRO 507  -0.200  -8.096   2.579
 1167    HD3  PRO 507           HD1      PRO 507  -0.458  -8.147   4.338
 1168    H    PHE 508           H        PHE 508   2.465  -8.335   1.944
 1169    HA   PHE 508           HA       PHE 508   3.810  -9.838  -0.172
 1170    HB2  PHE 508           HB2      PHE 508   3.084  -6.908   0.005
 1171    HB3  PHE 508           HB1      PHE 508   3.864  -7.673  -1.372
 1172    HD1  PHE 508           HD1      PHE 508   0.739  -7.332   0.506
 1173    HD2  PHE 508           HD2      PHE 508   2.627  -9.083  -2.883
 1174    HE1  PHE 508           HE1      PHE 508  -1.467  -7.899  -0.429
 1175    HE2  PHE 508           HE2      PHE 508   0.425  -9.646  -3.823
 1176    HZ   PHE 508           HZ       PHE 508  -1.624  -9.054  -2.596
 1177    H    LEU 509           H        LEU 509   4.467  -6.817   1.633
 1178    HA   LEU 509           HA       LEU 509   7.322  -7.268   1.175
 1179    HB2  LEU 509           HB2      LEU 509   5.913  -4.808   2.215
 1180    HB3  LEU 509           HB1      LEU 509   7.604  -4.922   1.766
 1181    HG   LEU 509           HG       LEU 509   5.236  -5.119  -0.097
 1182   HD11  LEU 509          1HD1      LEU 509   7.403  -3.039   0.173
 1183   HD12  LEU 509          2HD1      LEU 509   5.720  -2.855   0.669
 1184   HD13  LEU 509          3HD1      LEU 509   6.119  -3.050  -1.038
 1185   HD21  LEU 509          3HD2      LEU 509   6.987  -6.624  -0.836
 1186   HD22  LEU 509          1HD2      LEU 509   8.186  -5.340  -0.683
 1187   HD23  LEU 509          2HD2      LEU 509   6.909  -5.215  -1.893
 1188    H    GLY 510           H        GLY 510   5.079  -7.814   3.580
 1189    HA2  GLY 510           HA2      GLY 510   6.410  -6.898   5.894
 1190    HA3  GLY 510           HA1      GLY 510   5.190  -8.158   5.846
 1191    H    LYS 511           H        LYS 511   7.111  -9.527   3.834
 1192    HA   LYS 511           HA       LYS 511   8.566 -11.005   5.866
 1193    HB2  LYS 511           HB2      LYS 511   8.257 -11.477   2.897
 1194    HB3  LYS 511           HB1      LYS 511   9.187 -12.514   3.964
 1195    HG2  LYS 511           HG2      LYS 511   7.226 -13.659   3.911
 1196    HG3  LYS 511           HG1      LYS 511   6.923 -12.609   5.291
 1197    HD2  LYS 511           HD2      LYS 511   4.972 -12.374   4.085
 1198    HD3  LYS 511           HD1      LYS 511   5.914 -11.001   3.508
 1199    HE2  LYS 511           HE2      LYS 511   5.798 -13.670   2.109
 1200    HE3  LYS 511           HE1      LYS 511   4.742 -12.316   1.723
 1201    HZ1  LYS 511           HZ1      LYS 511   6.670 -12.477   0.244
 1202    HZ2  LYS 511           HZ2      LYS 511   7.705 -12.245   1.559
 1203    HZ3  LYS 511           HZ3      LYS 511   6.643 -11.011   1.092
 1204    H    PHE 512           H        PHE 512   9.126  -8.288   4.125
 1205    HA   PHE 512           HA       PHE 512  12.032  -8.784   4.057
 1206    HB2  PHE 512           HB2      PHE 512  10.477  -6.806   2.369
 1207    HB3  PHE 512           HB1      PHE 512  12.201  -7.148   2.261
 1208    HD1  PHE 512           HD2      PHE 512  12.969  -9.335   1.388
 1209    HD2  PHE 512           HD1      PHE 512   8.872  -8.189   1.307
 1210    HE1  PHE 512           HE2      PHE 512  12.511 -11.098  -0.266
 1211    HE2  PHE 512           HE1      PHE 512   8.406  -9.949  -0.345
 1212    HZ   PHE 512           HZ       PHE 512  10.227 -11.407  -1.133
 1213    HA   PRO 513           HA       PRO 513  11.425  -6.063   7.646
 1214    HB2  PRO 513           HB2      PRO 513  14.390  -6.385   7.642
 1215    HB3  PRO 513           HB1      PRO 513  13.241  -6.553   8.975
 1216    HG2  PRO 513           HG2      PRO 513  14.299  -8.706   7.843
 1217    HG3  PRO 513           HG1      PRO 513  12.592  -8.685   8.323
 1218    HD2  PRO 513           HD2      PRO 513  13.798  -8.432   5.602
 1219    HD3  PRO 513           HD1      PRO 513  12.308  -9.256   6.105
 1220    H    GLU 514           H        GLU 514  14.255  -5.608   5.516
 1221    HA   GLU 514           HA       GLU 514  14.650  -2.906   6.116
 1222    HB2  GLU 514           HB2      GLU 514  16.033  -2.843   4.080
 1223    HB3  GLU 514           HB1      GLU 514  16.375  -4.261   5.060
 1224    HG2  GLU 514           HG2      GLU 514  15.118  -5.663   3.575
 1225    HG3  GLU 514           HG1      GLU 514  14.578  -4.266   2.649
 1226    H    LEU 515           H        LEU 515  12.652  -4.455   3.683
 1227    HA   LEU 515           HA       LEU 515  12.195  -2.028   2.218
 1228    HB2  LEU 515           HB2      LEU 515  12.338  -4.329   1.228
 1229    HB3  LEU 515           HB1      LEU 515  10.796  -4.689   1.980
 1230    HG   LEU 515           HG       LEU 515   9.712  -2.966   0.628
 1231   HD11  LEU 515          1HD1      LEU 515  10.938  -1.834  -1.148
 1232   HD12  LEU 515          2HD1      LEU 515  12.436  -2.596  -0.610
 1233   HD13  LEU 515          3HD1      LEU 515  11.612  -1.436   0.433
 1234   HD21  LEU 515          3HD2      LEU 515   9.853  -5.245  -0.230
 1235   HD22  LEU 515          1HD2      LEU 515  11.402  -4.869  -0.986
 1236   HD23  LEU 515          2HD2      LEU 515   9.933  -4.069  -1.543
 1237    H    PHE 516           H        PHE 516  10.319  -4.134   4.356
 1238    HA   PHE 516           HA       PHE 516   7.909  -2.651   4.152
 1239    HB2  PHE 516           HB2      PHE 516   8.218  -5.070   4.929
 1240    HB3  PHE 516           HB1      PHE 516   8.702  -4.397   6.482
 1241    HD1  PHE 516           HD2      PHE 516   5.989  -3.481   4.089
 1242    HD2  PHE 516           HD1      PHE 516   7.033  -4.783   8.003
 1243    HE1  PHE 516           HE2      PHE 516   3.624  -3.354   4.757
 1244    HE2  PHE 516           HE1      PHE 516   4.671  -4.659   8.678
 1245    HZ   PHE 516           HZ       PHE 516   2.963  -3.947   7.057
 1246    H    ASN 517           H        ASN 517  10.717  -2.476   6.255
 1247    HA   ASN 517           HA       ASN 517   9.548  -0.612   8.083
 1248    HB2  ASN 517           HB2      ASN 517  11.505  -2.083   8.635
 1249    HB3  ASN 517           HB1      ASN 517  12.491  -1.092   7.564
 1250   HD21  ASN 517          1HD2      ASN 517  13.847  -0.436   9.227
 1251   HD22  ASN 517          2HD2      ASN 517  13.341   0.679  10.448
 1252    H    TRP 518           H        TRP 518  11.513  -0.366   5.148
 1253    HA   TRP 518           HA       TRP 518  11.954   2.390   5.105
 1254    HB2  TRP 518           HB2      TRP 518  12.769   0.622   3.435
 1255    HB3  TRP 518           HB1      TRP 518  11.193   0.758   2.671
 1256    HD1  TRP 518           HD1      TRP 518  14.583   2.249   2.659
 1257    HE1  TRP 518           HE1      TRP 518  14.659   4.314   1.129
 1258    HE3  TRP 518           HE3      TRP 518   9.560   2.935   1.943
 1259    HZ2  TRP 518           HZ2      TRP 518  12.843   6.016  -0.191
 1260    HZ3  TRP 518           HZ3      TRP 518   8.819   4.809   0.534
 1261    HH2  TRP 518           HH2      TRP 518  10.429   6.317  -0.508
 1262    H    PHE 519           H        PHE 519   9.220   0.507   3.875
 1263    HA   PHE 519           HA       PHE 519   7.585   2.546   2.972
 1264    HB2  PHE 519           HB2      PHE 519   7.295   0.052   2.702
 1265    HB3  PHE 519           HB1      PHE 519   6.671   0.015   4.344
 1266    HD1  PHE 519           HD2      PHE 519   6.083   2.191   1.371
 1267    HD2  PHE 519           HD1      PHE 519   4.424  -0.291   4.399
 1268    HE1  PHE 519           HE2      PHE 519   3.836   2.651   0.509
 1269    HE2  PHE 519           HE1      PHE 519   2.167   0.169   3.543
 1270    HZ   PHE 519           HZ       PHE 519   1.868   1.641   1.593
 1271    H    LYS 520           H        LYS 520   7.764   1.091   6.214
 1272    HA   LYS 520           HA       LYS 520   5.786   2.633   7.449
 1273    HB2  LYS 520           HB2      LYS 520   8.305   1.442   8.620
 1274    HB3  LYS 520           HB1      LYS 520   6.991   2.116   9.573
 1275    HG2  LYS 520           HG2      LYS 520   5.481   0.427   8.774
 1276    HG3  LYS 520           HG1      LYS 520   6.710  -0.198   7.671
 1277    HD2  LYS 520           HD2      LYS 520   8.117  -0.795   9.571
 1278    HD3  LYS 520           HD1      LYS 520   6.906  -0.152  10.683
 1279    HE2  LYS 520           HE2      LYS 520   5.304  -1.809   9.928
 1280    HE3  LYS 520           HE1      LYS 520   6.459  -2.416   8.742
 1281    HZ1  LYS 520           HZ1      LYS 520   7.908  -3.105  10.533
 1282    HZ2  LYS 520           HZ2      LYS 520   6.370  -3.793  10.739
 1283    HZ3  LYS 520           HZ3      LYS 520   6.838  -2.473  11.691
 1284    H    ASN 521           H        ASN 521   9.274   3.207   7.164
 1285    HA   ASN 521           HA       ASN 521   9.359   5.538   8.733
 1286    HB2  ASN 521           HB2      ASN 521  11.366   4.249   8.163
 1287    HB3  ASN 521           HB1      ASN 521  11.185   4.697   6.471
 1288   HD21  ASN 521          1HD2      ASN 521  11.740   6.763   5.815
 1289   HD22  ASN 521          2HD2      ASN 521  12.619   7.862   6.824
 1290    H    PHE 522           H        PHE 522   8.899   5.094   5.250
 1291    HA   PHE 522           HA       PHE 522   9.003   7.833   4.550
 1292    HB2  PHE 522           HB2      PHE 522   9.213   5.932   2.954
 1293    HB3  PHE 522           HB1      PHE 522   7.494   5.616   3.154
 1294    HD1  PHE 522           HD2      PHE 522   9.661   8.573   2.434
 1295    HD2  PHE 522           HD1      PHE 522   6.175   6.348   1.433
 1296    HE1  PHE 522           HE2      PHE 522   9.175  10.160   0.619
 1297    HE2  PHE 522           HE1      PHE 522   5.685   7.927  -0.387
 1298    HZ   PHE 522           HZ       PHE 522   7.184   9.839  -0.795
 1299    H    LEU 523           H        LEU 523   6.410   5.748   5.646
 1300    HA   LEU 523           HA       LEU 523   4.391   7.796   5.237
 1301    HB2  LEU 523           HB2      LEU 523   4.231   5.053   6.489
 1302    HB3  LEU 523           HB1      LEU 523   2.858   6.106   6.208
 1303    HG   LEU 523           HG       LEU 523   4.630   5.003   4.025
 1304   HD11  LEU 523          1HD1      LEU 523   3.398   3.215   5.121
 1305   HD12  LEU 523          2HD1      LEU 523   2.751   3.531   3.510
 1306   HD13  LEU 523          3HD1      LEU 523   1.897   4.122   4.935
 1307   HD21  LEU 523          3HD2      LEU 523   1.967   6.405   3.905
 1308   HD22  LEU 523          1HD2      LEU 523   2.884   5.776   2.536
 1309   HD23  LEU 523          2HD2      LEU 523   3.523   7.123   3.481
 1310    H    GLY 524           H        GLY 524   6.681   7.162   7.559
 1311    HA2  GLY 524           HA2      GLY 524   7.019   7.997   9.676
 1312    HA3  GLY 524           HA1      GLY 524   5.594   8.998   9.439
 1313    H    TYR 525           H        TYR 525   5.494   5.540   9.126
 1314    HA   TYR 525           HA       TYR 525   3.439   5.445  11.175
 1315    HB2  TYR 525           HB2      TYR 525   3.050   4.314   9.028
 1316    HB3  TYR 525           HB1      TYR 525   4.469   3.308   9.288
 1317    HD1  TYR 525           HD1      TYR 525   1.059   4.035  10.512
 1318    HD2  TYR 525           HD2      TYR 525   4.345   1.337  10.616
 1319    HE1  TYR 525           HE1      TYR 525  -0.345   2.380  11.668
 1320    HE2  TYR 525           HE2      TYR 525   2.949  -0.326  11.768
 1321    HH   TYR 525           HH       TYR 525  -0.430  -0.064  12.010
 1322    H    LYS 526           H        LYS 526   3.690   4.644  13.158
 1323    HA   LYS 526           HA       LYS 526   6.131   3.103  13.742
 1324    HB2  LYS 526           HB2      LYS 526   6.257   4.259  15.938
 1325    HB3  LYS 526           HB1      LYS 526   6.524   5.332  14.570
 1326    HG2  LYS 526           HG2      LYS 526   4.147   6.059  14.764
 1327    HG3  LYS 526           HG1      LYS 526   4.031   5.098  16.241
 1328    HD2  LYS 526           HD2      LYS 526   5.806   6.413  17.256
 1329    HD3  LYS 526           HD1      LYS 526   5.980   7.349  15.770
 1330    HE2  LYS 526           HE2      LYS 526   3.623   8.086  16.026
 1331    HE3  LYS 526           HE1      LYS 526   3.568   7.247  17.575
 1332    HZ1  LYS 526           HZ1      LYS 526   5.342   8.672  18.378
 1333    HZ2  LYS 526           HZ2      LYS 526   4.024   9.604  17.850
 1334    HZ3  LYS 526           HZ3      LYS 526   5.409   9.471  16.884
 1335    H    GLU 527           H        GLU 527   5.948   1.525  15.333
 1336    HA   GLU 527           HA       GLU 527   3.170   0.731  15.900
 1337    HB2  GLU 527           HB2      GLU 527   5.694  -0.929  15.773
 1338    HB3  GLU 527           HB1      GLU 527   4.081  -1.553  16.092
 1339    HG2  GLU 527           HG2      GLU 527   3.354  -1.090  13.912
 1340    HG3  GLU 527           HG1      GLU 527   4.737  -0.046  13.588
 1341    H    SER 528           H        SER 528   5.309   2.445  17.371
 1342    HA   SER 528           HA       SER 528   5.467   1.030  19.900
 1343    HB2  SER 528           HB2      SER 528   6.796   3.127  20.551
 1344    HB3  SER 528           HB1      SER 528   7.502   2.106  19.295
 1345    HG   SER 528           HG       SER 528   6.053   4.524  18.955
  Start of MODEL    5
    1    H1   SER 127           HT1      SER 127   3.901 -24.068   4.612
    2    H2   SER 127           HT2      SER 127   4.505 -25.565   4.092
    3    H3   SER 127           HT3      SER 127   4.395 -24.267   3.005
    4    HA   SER 127           HA       SER 127   6.666 -24.706   3.800
    5    HB2  SER 127           HB2      SER 127   5.552 -22.022   4.647
    6    HB3  SER 127           HB1      SER 127   7.208 -22.373   4.152
    7    HG   SER 127           HG       SER 127   6.517 -22.709   2.069
    8    H    ASN 128           H        ASN 128   6.922 -26.164   5.467
    9    HA   ASN 128           HA       ASN 128   6.836 -24.986   8.173
   10    HB2  ASN 128           HB2      ASN 128   6.179 -27.809   7.321
   11    HB3  ASN 128           HB1      ASN 128   6.531 -27.377   8.990
   12   HD21  ASN 128          1HD2      ASN 128   5.059 -26.147  10.143
   13   HD22  ASN 128          2HD2      ASN 128   3.433 -25.896   9.606
   14    H    ALA 129           H        ALA 129   8.531 -26.901   5.825
   15    HA   ALA 129           HA       ALA 129  10.746 -27.325   7.694
   16    HB1  ALA 129           HB1      ALA 129   9.948 -29.300   6.514
   17    HB2  ALA 129           HB2      ALA 129  11.600 -28.909   6.036
   18    HB3  ALA 129           HB3      ALA 129  10.256 -28.512   4.965
   19    H    GLY 130           H        GLY 130  12.961 -27.152   6.638
   20    HA2  GLY 130           HA2      GLY 130  13.281 -25.387   4.412
   21    HA3  GLY 130           HA1      GLY 130  13.576 -24.569   5.940
   22    H    SER 131           H        SER 131  15.008 -26.231   3.480
   23    HA   SER 131           HA       SER 131  16.882 -27.862   4.766
   24    HB2  SER 131           HB2      SER 131  17.093 -26.396   2.130
   25    HB3  SER 131           HB1      SER 131  18.157 -27.704   2.651
   26    HG   SER 131           HG       SER 131  16.237 -29.018   2.828
   27    H    ASP 132           H        ASP 132  16.799 -24.418   4.254
   28    HA   ASP 132           HA       ASP 132  19.218 -24.221   5.909
   29    HB2  ASP 132           HB2      ASP 132  19.496 -23.614   3.381
   30    HB3  ASP 132           HB1      ASP 132  18.627 -22.146   3.820
   31    H    ASP 133           H        ASP 133  16.688 -22.110   4.524
   32    HA   ASP 133           HA       ASP 133  15.983 -21.354   7.287
   33    HB2  ASP 133           HB2      ASP 133  16.887 -19.474   5.885
   34    HB3  ASP 133           HB1      ASP 133  15.518 -19.695   4.798
   35    H    ASP 134           H        ASP 134  13.932 -21.721   7.918
   36    HA   ASP 134           HA       ASP 134  12.345 -23.448   6.310
   37    HB2  ASP 134           HB2      ASP 134  10.774 -23.461   8.161
   38    HB3  ASP 134           HB1      ASP 134  12.415 -23.597   8.778
   39    H    GLY 135           H        GLY 135  10.643 -23.064   5.042
   40    HA2  GLY 135           HA2      GLY 135   8.787 -21.954   4.183
   41    HA3  GLY 135           HA1      GLY 135   9.098 -20.628   5.291
   42    H    GLY 136           H        GLY 136  12.000 -20.991   3.979
   43    HA2  GLY 136           HA2      GLY 136  11.424 -19.599   1.465
   44    HA3  GLY 136           HA1      GLY 136  12.398 -18.762   2.666
   45    H    ASP 137           H        ASP 137  12.412 -22.202   1.899
   46    HA   ASP 137           HA       ASP 137  15.300 -22.033   1.512
   47    HB2  ASP 137           HB2      ASP 137  15.321 -24.436   1.775
   48    HB3  ASP 137           HB1      ASP 137  14.334 -23.738   3.053
   49    H    SER 138           H        SER 138  12.755 -21.650  -0.427
   50    HA   SER 138           HA       SER 138  13.746 -23.263  -2.649
   51    HB2  SER 138           HB2      SER 138  11.297 -21.492  -2.461
   52    HB3  SER 138           HB1      SER 138  11.688 -22.581  -3.792
   53    HG   SER 138           HG       SER 138  11.774 -24.210  -1.913
   54    HA   PRO 139           HA       PRO 139  15.868 -19.540  -4.086
   55    HB2  PRO 139           HB2      PRO 139  17.233 -21.296  -5.934
   56    HB3  PRO 139           HB1      PRO 139  17.893 -20.447  -4.536
   57    HG2  PRO 139           HG2      PRO 139  17.620 -23.167  -4.681
   58    HG3  PRO 139           HG1      PRO 139  17.636 -22.253  -3.163
   59    HD2  PRO 139           HD2      PRO 139  15.312 -23.354  -4.690
   60    HD3  PRO 139           HD1      PRO 139  15.585 -23.301  -2.935
   61    H    VAL 140           H        VAL 140  16.026 -18.502  -6.178
   62    HA   VAL 140           HA       VAL 140  15.194 -17.772  -8.155
   63    HB   VAL 140           HB       VAL 140  14.621 -20.694  -8.680
   64   HG11  VAL 140          1HG1      VAL 140  13.371 -19.250 -10.187
   65   HG12  VAL 140          2HG1      VAL 140  14.674 -20.065 -11.052
   66   HG13  VAL 140          3HG1      VAL 140  14.845 -18.371 -10.591
   67   HG21  VAL 140          3HG2      VAL 140  16.969 -20.307  -8.190
   68   HG22  VAL 140          1HG2      VAL 140  17.020 -19.006  -9.379
   69   HG23  VAL 140          2HG2      VAL 140  16.750 -20.668  -9.902
   70    H    GLN 141           H        GLN 141  13.536 -16.590  -7.299
   71    HA   GLN 141           HA       GLN 141  11.406 -15.844  -7.090
   72    HB2  GLN 141           HB2      GLN 141  11.280 -16.754  -9.450
   73    HB3  GLN 141           HB1      GLN 141  10.552 -18.202  -8.766
   74    HG2  GLN 141           HG2      GLN 141   8.708 -16.893  -7.897
   75    HG3  GLN 141           HG1      GLN 141   9.448 -15.415  -8.510
   76   HE21  GLN 141          1HE2      GLN 141  10.350 -16.734 -10.973
   77   HE22  GLN 141          2HE2      GLN 141   8.932 -16.924 -11.947
   78    H    ASP 142           H        ASP 142  11.636 -16.397  -4.876
   79    HA   ASP 142           HA       ASP 142  10.519 -18.846  -3.870
   80    HB2  ASP 142           HB2      ASP 142  10.803 -17.576  -1.632
   81    HB3  ASP 142           HB1      ASP 142  12.249 -18.015  -2.536
   82    H    ILE 143           H        ILE 143   9.197 -15.922  -4.902
   83    HA   ILE 143           HA       ILE 143   6.735 -16.431  -3.361
   84    HB   ILE 143           HB       ILE 143   7.464 -13.880  -4.804
   85   HG12  ILE 143          2HG1      ILE 143   7.566 -14.440  -1.832
   86   HG13  ILE 143          1HG1      ILE 143   8.979 -14.325  -2.878
   87   HG21  ILE 143          1HG2      ILE 143   5.609 -12.927  -3.495
   88   HG22  ILE 143          2HG2      ILE 143   5.261 -14.532  -2.849
   89   HG23  ILE 143          3HG2      ILE 143   5.082 -14.215  -4.575
   90   HD11  ILE 143          3HD1      ILE 143   8.630 -12.266  -1.639
   91   HD12  ILE 143          1HD1      ILE 143   7.011 -12.115  -2.323
   92   HD13  ILE 143          2HD1      ILE 143   8.423 -11.999  -3.371
   93    H    ASP 144           H        ASP 144   4.814 -16.677  -4.466
   94    HA   ASP 144           HA       ASP 144   5.000 -16.827  -7.398
   95    HB2  ASP 144           HB2      ASP 144   4.231 -18.899  -6.353
   96    HB3  ASP 144           HB1      ASP 144   2.966 -18.024  -5.495
   97    H    THR 145           H        THR 145   2.613 -15.984  -4.906
   98    HA   THR 145           HA       THR 145   2.233 -13.338  -5.915
   99    HB   THR 145           HB       THR 145  -0.056 -15.297  -6.286
  100    HG1  THR 145           HG1      THR 145   1.782 -14.929  -7.953
  101   HG21  THR 145          3HG2      THR 145  -1.323 -13.370  -7.111
  102   HG22  THR 145          1HG2      THR 145   0.031 -12.309  -6.722
  103   HG23  THR 145          2HG2      THR 145  -0.837 -13.140  -5.432
  104    HA   PRO 146           HA       PRO 146   1.308 -13.478  -1.472
  105    HB2  PRO 146           HB2      PRO 146   1.367 -10.548  -1.821
  106    HB3  PRO 146           HB1      PRO 146   2.282 -11.567  -0.705
  107    HG2  PRO 146           HG2      PRO 146   3.456 -10.409  -2.807
  108    HG3  PRO 146           HG1      PRO 146   3.923 -12.029  -2.257
  109    HD2  PRO 146           HD2      PRO 146   2.182 -11.243  -4.569
  110    HD3  PRO 146           HD1      PRO 146   3.426 -12.509  -4.477
  111    H    GLU 147           H        GLU 147  -0.567 -13.211  -0.395
  112    HA   GLU 147           HA       GLU 147  -2.862 -12.352  -1.987
  113    HB2  GLU 147           HB2      GLU 147  -4.094 -13.538  -0.043
  114    HB3  GLU 147           HB1      GLU 147  -3.237 -14.516  -1.227
  115    HG2  GLU 147           HG2      GLU 147  -1.344 -14.726   0.281
  116    HG3  GLU 147           HG1      GLU 147  -2.162 -13.705   1.465
  117    H    VAL 148           H        VAL 148  -3.668 -10.401  -1.636
  118    HA   VAL 148           HA       VAL 148  -3.053  -8.967   0.785
  119    HB   VAL 148           HB       VAL 148  -3.043  -7.667  -1.229
  120   HG11  VAL 148          1HG1      VAL 148  -4.550  -9.032  -2.574
  121   HG12  VAL 148          2HG1      VAL 148  -5.019  -7.331  -2.612
  122   HG13  VAL 148          3HG1      VAL 148  -5.919  -8.474  -1.613
  123   HG21  VAL 148          3HG2      VAL 148  -5.512  -6.968   0.350
  124   HG22  VAL 148          1HG2      VAL 148  -4.568  -5.872  -0.656
  125   HG23  VAL 148          2HG2      VAL 148  -3.857  -6.558   0.807
  126    H    ASP 149           H        ASP 149  -4.212  -8.999   2.558
  127    HA   ASP 149           HA       ASP 149  -6.883 -10.140   2.552
  128    HB2  ASP 149           HB2      ASP 149  -5.401 -10.883   4.309
  129    HB3  ASP 149           HB1      ASP 149  -5.075  -9.222   4.794
  130    H    LEU 150           H        LEU 150  -8.716  -8.985   2.691
  131    HA   LEU 150           HA       LEU 150  -8.434  -6.085   3.107
  132    HB2  LEU 150           HB2      LEU 150 -10.525  -7.624   1.568
  133    HB3  LEU 150           HB1      LEU 150 -10.563  -5.890   1.835
  134    HG   LEU 150           HG       LEU 150  -8.387  -7.356   0.338
  135   HD11  LEU 150          1HD1      LEU 150 -10.540  -7.368  -0.837
  136   HD12  LEU 150          2HD1      LEU 150  -9.325  -6.379  -1.651
  137   HD13  LEU 150          3HD1      LEU 150 -10.600  -5.610  -0.702
  138   HD21  LEU 150          3HD2      LEU 150  -7.640  -5.140  -0.306
  139   HD22  LEU 150          1HD2      LEU 150  -7.636  -5.306   1.450
  140   HD23  LEU 150          2HD2      LEU 150  -8.931  -4.412   0.649
  141    H    TYR 151           H        TYR 151  -9.156  -8.672   4.824
  142    HA   TYR 151           HA       TYR 151 -11.611  -7.785   6.078
  143    HB2  TYR 151           HB2      TYR 151 -10.935 -10.208   5.858
  144    HB3  TYR 151           HB1      TYR 151  -9.660  -9.896   7.031
  145    HD1  TYR 151           HD2      TYR 151 -13.355  -9.687   6.603
  146    HD2  TYR 151           HD1      TYR 151 -10.099 -10.142   9.303
  147    HE1  TYR 151           HE2      TYR 151 -14.941 -10.155   8.421
  148    HE2  TYR 151           HE1      TYR 151 -11.673 -10.614  11.130
  149    HH   TYR 151           HH       TYR 151 -13.998 -10.209  11.711
  150    H    GLN 152           H        GLN 152  -8.188  -7.502   6.490
  151    HA   GLN 152           HA       GLN 152  -8.133  -6.450   9.107
  152    HB2  GLN 152           HB2      GLN 152  -5.908  -5.586   8.461
  153    HB3  GLN 152           HB1      GLN 152  -6.124  -7.280   8.036
  154    HG2  GLN 152           HG2      GLN 152  -6.618  -6.579   5.719
  155    HG3  GLN 152           HG1      GLN 152  -6.283  -4.911   6.187
  156   HE21  GLN 152          1HE2      GLN 152  -4.940  -6.502   4.201
  157   HE22  GLN 152          2HE2      GLN 152  -3.276  -6.561   4.684
  158    H    LEU 153           H        LEU 153  -9.074  -5.051   6.090
  159    HA   LEU 153           HA       LEU 153  -8.566  -2.335   6.721
  160    HB2  LEU 153           HB2      LEU 153 -10.597  -3.546   4.846
  161    HB3  LEU 153           HB1      LEU 153 -10.238  -1.833   4.947
  162    HG   LEU 153           HG       LEU 153  -8.446  -4.038   3.952
  163   HD11  LEU 153          1HD1      LEU 153  -8.402  -2.628   1.935
  164   HD12  LEU 153          2HD1      LEU 153  -9.540  -1.522   2.703
  165   HD13  LEU 153          3HD1      LEU 153 -10.030  -3.176   2.337
  166   HD21  LEU 153          3HD2      LEU 153  -6.731  -2.307   3.660
  167   HD22  LEU 153          1HD2      LEU 153  -7.111  -2.592   5.359
  168   HD23  LEU 153          2HD2      LEU 153  -7.752  -1.166   4.539
  169    H    GLN 154           H        GLN 154 -10.004  -0.727   7.412
  170    HA   GLN 154           HA       GLN 154 -11.795  -1.454   9.464
  171    HB2  GLN 154           HB2      GLN 154 -11.837   1.165   7.961
  172    HB3  GLN 154           HB1      GLN 154 -12.353   0.868   9.615
  173    HG2  GLN 154           HG2      GLN 154 -10.018   0.413  10.237
  174    HG3  GLN 154           HG1      GLN 154  -9.524   0.777   8.583
  175   HE21  GLN 154          1HE2      GLN 154  -8.261   2.528   9.091
  176   HE22  GLN 154          2HE2      GLN 154  -8.913   4.011   9.717
  177    H    VAL 155           H        VAL 155 -14.067  -1.419   9.518
  178    HA   VAL 155           HA       VAL 155 -15.427  -2.441   7.301
  179    HB   VAL 155           HB       VAL 155 -16.667  -0.885   9.582
  180   HG11  VAL 155          1HG1      VAL 155 -17.855  -2.963   7.742
  181   HG12  VAL 155          2HG1      VAL 155 -18.186  -1.231   7.700
  182   HG13  VAL 155          3HG1      VAL 155 -18.675  -2.187   9.099
  183   HG21  VAL 155          3HG2      VAL 155 -16.015  -3.816   9.357
  184   HG22  VAL 155          1HG2      VAL 155 -17.002  -3.095  10.629
  185   HG23  VAL 155          2HG2      VAL 155 -15.303  -2.655  10.476
  186    H    ASN 156           H        ASN 156 -15.303   0.847   8.584
  187    HA   ASN 156           HA       ASN 156 -16.990   2.038   6.706
  188    HB2  ASN 156           HB2      ASN 156 -14.801   3.137   8.457
  189    HB3  ASN 156           HB1      ASN 156 -15.722   4.171   7.369
  190   HD21  ASN 156          1HD2      ASN 156 -15.541   4.003  10.343
  191   HD22  ASN 156          2HD2      ASN 156 -17.185   3.868  10.874
  192    H    THR 157           H        THR 157 -13.560   1.310   6.582
  193    HA   THR 157           HA       THR 157 -12.886   2.890   4.353
  194    HB   THR 157           HB       THR 157 -11.638   0.258   5.160
  195    HG1  THR 157           HG1      THR 157 -10.702   2.806   5.971
  196   HG21  THR 157          3HG2      THR 157  -9.629   1.129   4.112
  197   HG22  THR 157          1HG2      THR 157 -10.459   2.637   3.725
  198   HG23  THR 157          2HG2      THR 157 -10.959   1.134   2.951
  199    H    LEU 158           H        LEU 158 -13.924  -0.493   4.630
  200    HA   LEU 158           HA       LEU 158 -13.801  -1.117   1.881
  201    HB2  LEU 158           HB2      LEU 158 -15.518  -2.292   4.070
  202    HB3  LEU 158           HB1      LEU 158 -15.291  -3.006   2.485
  203    HG   LEU 158           HG       LEU 158 -13.049  -2.536   4.453
  204   HD11  LEU 158          1HD1      LEU 158 -14.611  -4.138   5.378
  205   HD12  LEU 158          2HD1      LEU 158 -13.146  -4.959   4.841
  206   HD13  LEU 158          3HD1      LEU 158 -14.612  -5.044   3.864
  207   HD21  LEU 158          3HD2      LEU 158 -13.210  -4.137   1.902
  208   HD22  LEU 158          1HD2      LEU 158 -11.825  -4.082   2.994
  209   HD23  LEU 158          2HD2      LEU 158 -12.327  -2.627   2.133
  210    H    ARG 159           H        ARG 159 -16.328   0.208   3.922
  211    HA   ARG 159           HA       ARG 159 -18.385   0.243   1.967
  212    HB2  ARG 159           HB2      ARG 159 -17.968   1.960   4.421
  213    HB3  ARG 159           HB1      ARG 159 -19.447   1.915   3.474
  214    HG2  ARG 159           HG2      ARG 159 -19.745  -0.434   4.031
  215    HG3  ARG 159           HG1      ARG 159 -18.241  -0.410   4.955
  216    HD2  ARG 159           HD2      ARG 159 -19.176   1.250   6.466
  217    HD3  ARG 159           HD1      ARG 159 -20.668   1.282   5.526
  218    HE   ARG 159           HE       ARG 159 -19.723  -0.978   7.155
  219   HH11  ARG 159          1HH1      ARG 159 -22.269   0.732   5.472
  220   HH12  ARG 159          2HH1      ARG 159 -23.538  -0.280   6.104
  221   HH21  ARG 159          1HH2      ARG 159 -21.390  -2.303   8.000
  222   HH22  ARG 159          2HH2      ARG 159 -23.043  -1.985   7.564
  223    H    ARG 160           H        ARG 160 -15.864   2.510   2.896
  224    HA   ARG 160           HA       ARG 160 -16.717   4.707   1.349
  225    HB2  ARG 160           HB2      ARG 160 -15.003   4.666   3.222
  226    HB3  ARG 160           HB1      ARG 160 -13.869   4.016   2.050
  227    HG2  ARG 160           HG2      ARG 160 -14.042   6.013   0.706
  228    HG3  ARG 160           HG1      ARG 160 -15.281   6.661   1.786
  229    HD2  ARG 160           HD2      ARG 160 -12.391   6.107   2.437
  230    HD3  ARG 160           HD1      ARG 160 -13.188   7.678   2.349
  231    HE   ARG 160           HE       ARG 160 -14.571   6.840   4.289
  232   HH11  ARG 160          1HH1      ARG 160 -11.334   5.662   3.668
  233   HH12  ARG 160          2HH1      ARG 160 -11.007   5.270   5.337
  234   HH21  ARG 160          1HH2      ARG 160 -14.176   6.318   6.484
  235   HH22  ARG 160          2HH2      ARG 160 -12.630   5.653   6.946
  236    H    TYR 161           H        TYR 161 -14.428   2.074   0.721
  237    HA   TYR 161           HA       TYR 161 -13.671   2.665  -1.864
  238    HB2  TYR 161           HB2      TYR 161 -12.768   0.789  -0.547
  239    HB3  TYR 161           HB1      TYR 161 -14.304  -0.056  -0.694
  240    HD1  TYR 161           HD1      TYR 161 -14.978  -1.038  -2.842
  241    HD2  TYR 161           HD2      TYR 161 -11.193   0.849  -2.363
  242    HE1  TYR 161           HE1      TYR 161 -14.187  -2.110  -4.903
  243    HE2  TYR 161           HE2      TYR 161 -10.395  -0.214  -4.433
  244    HH   TYR 161           HH       TYR 161 -10.924  -2.194  -5.797
  245    H    LYS 162           H        LYS 162 -16.527   0.889  -0.756
  246    HA   LYS 162           HA       LYS 162 -17.655   0.397  -3.280
  247    HB2  LYS 162           HB2      LYS 162 -18.830   0.636  -0.526
  248    HB3  LYS 162           HB1      LYS 162 -19.836   0.305  -1.930
  249    HG2  LYS 162           HG2      LYS 162 -18.658  -1.728  -2.368
  250    HG3  LYS 162           HG1      LYS 162 -17.485  -1.372  -1.096
  251    HD2  LYS 162           HD2      LYS 162 -19.022  -1.756   0.601
  252    HD3  LYS 162           HD1      LYS 162 -20.406  -1.538  -0.471
  253    HE2  LYS 162           HE2      LYS 162 -20.027  -3.897   0.171
  254    HE3  LYS 162           HE1      LYS 162 -19.949  -3.625  -1.570
  255    HZ1  LYS 162           HZ1      LYS 162 -18.159  -5.068  -0.783
  256    HZ2  LYS 162           HZ2      LYS 162 -17.597  -3.841   0.235
  257    HZ3  LYS 162           HZ3      LYS 162 -17.548  -3.633  -1.441
  258    H    ARG 163           H        ARG 163 -18.247   3.047  -0.994
  259    HA   ARG 163           HA       ARG 163 -20.249   4.306  -2.519
  260    HB2  ARG 163           HB2      ARG 163 -19.935   4.735  -0.134
  261    HB3  ARG 163           HB1      ARG 163 -18.377   5.478  -0.459
  262    HG2  ARG 163           HG2      ARG 163 -19.516   7.237  -1.758
  263    HG3  ARG 163           HG1      ARG 163 -21.066   6.502  -1.350
  264    HD2  ARG 163           HD2      ARG 163 -20.668   6.896   1.004
  265    HD3  ARG 163           HD1      ARG 163 -19.063   7.536   0.652
  266    HE   ARG 163           HE       ARG 163 -21.393   8.874  -0.528
  267   HH11  ARG 163          1HH1      ARG 163 -18.783   8.887   1.808
  268   HH12  ARG 163          2HH1      ARG 163 -18.895  10.591   2.125
  269   HH21  ARG 163          1HH2      ARG 163 -21.547  11.122  -0.116
  270   HH22  ARG 163          2HH2      ARG 163 -20.475  11.861   1.042
  271    H    HIS 164           H        HIS 164 -16.755   4.930  -2.281
  272    HA   HIS 164           HA       HIS 164 -16.787   7.196  -3.974
  273    HB2  HIS 164           HB2      HIS 164 -14.954   6.580  -2.360
  274    HB3  HIS 164           HB1      HIS 164 -14.444   5.347  -3.507
  275    HD1  HIS 164           HD1      HIS 164 -14.101   8.902  -2.716
  276    HD2  HIS 164           HD2      HIS 164 -13.494   6.463  -6.034
  277    HE1  HIS 164           HE1      HIS 164 -12.691  10.249  -4.308
  278    HE2  HIS 164           HE2      HIS 164 -12.450   8.804  -6.361
  279    H    PHE 165           H        PHE 165 -16.214   3.752  -4.614
  280    HA   PHE 165           HA       PHE 165 -15.735   4.315  -7.417
  281    HB2  PHE 165           HB2      PHE 165 -15.662   1.801  -5.776
  282    HB3  PHE 165           HB1      PHE 165 -15.626   1.738  -7.536
  283    HD1  PHE 165           HD2      PHE 165 -13.732   2.605  -8.774
  284    HD2  PHE 165           HD1      PHE 165 -13.780   2.619  -4.521
  285    HE1  PHE 165           HE2      PHE 165 -11.304   3.000  -8.754
  286    HE2  PHE 165           HE1      PHE 165 -11.354   3.016  -4.491
  287    HZ   PHE 165           HZ       PHE 165 -10.111   3.206  -6.610
  288    H    LYS 166           H        LYS 166 -18.436   4.223  -5.661
  289    HA   LYS 166           HA       LYS 166 -20.649   3.964  -6.086
  290    HB2  LYS 166           HB2      LYS 166 -19.766   4.075  -8.976
  291    HB3  LYS 166           HB1      LYS 166 -21.406   4.309  -8.397
  292    HG2  LYS 166           HG2      LYS 166 -19.046   6.084  -7.802
  293    HG3  LYS 166           HG1      LYS 166 -20.353   6.428  -8.935
  294    HD2  LYS 166           HD2      LYS 166 -21.950   6.303  -7.034
  295    HD3  LYS 166           HD1      LYS 166 -20.575   6.121  -5.944
  296    HE2  LYS 166           HE2      LYS 166 -19.702   8.295  -6.808
  297    HE3  LYS 166           HE1      LYS 166 -21.203   8.479  -7.714
  298    HZ1  LYS 166           HZ1      LYS 166 -20.915   8.326  -4.764
  299    HZ2  LYS 166           HZ2      LYS 166 -22.402   8.338  -5.576
  300    HZ3  LYS 166           HZ3      LYS 166 -21.374   9.681  -5.668
  301    H    LEU 167           H        LEU 167 -19.911   1.678  -5.271
  302    HA   LEU 167           HA       LEU 167 -20.338  -0.370  -7.315
  303    HB2  LEU 167           HB2      LEU 167 -19.550  -0.612  -4.410
  304    HB3  LEU 167           HB1      LEU 167 -19.705  -1.958  -5.524
  305    HG   LEU 167           HG       LEU 167 -17.695   0.291  -5.716
  306   HD11  LEU 167          1HD1      LEU 167 -16.056  -1.453  -5.267
  307   HD12  LEU 167          2HD1      LEU 167 -17.349  -2.644  -5.112
  308   HD13  LEU 167          3HD1      LEU 167 -17.217  -1.328  -3.946
  309   HD21  LEU 167          3HD2      LEU 167 -16.756  -0.998  -7.583
  310   HD22  LEU 167          1HD2      LEU 167 -18.388  -0.425  -7.930
  311   HD23  LEU 167          2HD2      LEU 167 -18.122  -2.113  -7.490
  312    HA   PRO 168           HA       PRO 168 -24.619  -0.773  -6.215
  313    HB2  PRO 168           HB2      PRO 168 -24.975  -3.293  -7.262
  314    HB3  PRO 168           HB1      PRO 168 -25.025  -1.805  -8.213
  315    HG2  PRO 168           HG2      PRO 168 -22.790  -3.761  -7.873
  316    HG3  PRO 168           HG1      PRO 168 -23.317  -2.900  -9.330
  317    HD2  PRO 168           HD2      PRO 168 -21.160  -2.123  -7.919
  318    HD3  PRO 168           HD1      PRO 168 -22.221  -0.956  -8.735
  319    H    THR 169           H        THR 169 -25.361  -1.283  -4.279
  320    HA   THR 169           HA       THR 169 -24.723  -3.824  -3.038
  321    HB   THR 169           HB       THR 169 -24.153  -2.496  -0.874
  322    HG1  THR 169           HG1      THR 169 -23.414  -0.606  -2.885
  323   HG21  THR 169          3HG2      THR 169 -22.109  -2.565  -3.096
  324   HG22  THR 169          1HG2      THR 169 -22.599  -3.972  -2.148
  325   HG23  THR 169          2HG2      THR 169 -21.801  -2.614  -1.361
  326    H    ARG 170           H        ARG 170 -25.716  -3.559  -0.595
  327    HA   ARG 170           HA       ARG 170 -28.359  -2.313  -0.863
  328    HB2  ARG 170           HB2      ARG 170 -29.395  -4.295   0.175
  329    HB3  ARG 170           HB1      ARG 170 -28.648  -4.683  -1.368
  330    HG2  ARG 170           HG2      ARG 170 -26.727  -5.636  -0.211
  331    HG3  ARG 170           HG1      ARG 170 -27.454  -5.230   1.345
  332    HD2  ARG 170           HD2      ARG 170 -27.809  -7.582   0.771
  333    HD3  ARG 170           HD1      ARG 170 -29.333  -6.701   0.867
  334    HE   ARG 170           HE       ARG 170 -28.390  -6.709  -1.799
  335   HH11  ARG 170          1HH1      ARG 170 -29.781  -8.861   0.596
  336   HH12  ARG 170          2HH1      ARG 170 -30.561  -9.873  -0.585
  337   HH21  ARG 170          1HH2      ARG 170 -29.405  -8.027  -3.344
  338   HH22  ARG 170          2HH2      ARG 170 -30.358  -9.391  -2.837
  339    HA   PRO 171           HA       PRO 171 -27.556  -0.685   3.178
  340    HB2  PRO 171           HB2      PRO 171 -30.133  -0.808   4.191
  341    HB3  PRO 171           HB1      PRO 171 -29.494   0.506   3.200
  342    HG2  PRO 171           HG2      PRO 171 -31.193  -1.814   2.411
  343    HG3  PRO 171           HG1      PRO 171 -31.243  -0.137   1.837
  344    HD2  PRO 171           HD2      PRO 171 -30.143  -2.108   0.371
  345    HD3  PRO 171           HD1      PRO 171 -29.490  -0.458   0.361
  346    H    GLY 172           H        GLY 172 -26.811  -1.631   4.977
  347    HA2  GLY 172           HA2      GLY 172 -26.891  -3.090   6.832
  348    HA3  GLY 172           HA1      GLY 172 -28.126  -4.035   6.012
  349    H    LEU 173           H        LEU 173 -24.912  -2.969   4.977
  350    HA   LEU 173           HA       LEU 173 -24.335  -5.534   3.838
  351    HB2  LEU 173           HB2      LEU 173 -22.665  -3.058   4.222
  352    HB3  LEU 173           HB1      LEU 173 -22.061  -4.508   3.448
  353    HG   LEU 173           HG       LEU 173 -24.426  -2.923   2.454
  354   HD11  LEU 173          1HD1      LEU 173 -22.377  -1.610   2.305
  355   HD12  LEU 173          2HD1      LEU 173 -22.925  -2.120   0.707
  356   HD13  LEU 173          3HD1      LEU 173 -21.575  -2.948   1.481
  357   HD21  LEU 173          3HD2      LEU 173 -22.828  -5.166   1.224
  358   HD22  LEU 173          1HD2      LEU 173 -24.108  -4.260   0.417
  359   HD23  LEU 173          2HD2      LEU 173 -24.486  -5.267   1.815
  360    H    ASN 174           H        ASN 174 -22.668  -6.951   4.420
  361    HA   ASN 174           HA       ASN 174 -21.988  -6.907   7.276
  362    HB2  ASN 174           HB2      ASN 174 -22.230  -9.128   5.259
  363    HB3  ASN 174           HB1      ASN 174 -21.339  -9.359   6.758
  364   HD21  ASN 174          1HD2      ASN 174 -22.792 -10.935   7.445
  365   HD22  ASN 174          2HD2      ASN 174 -24.374 -10.530   8.029
  366    H    LYS 175           H        LYS 175 -19.851  -7.813   7.843
  367    HA   LYS 175           HA       LYS 175 -17.745  -6.373   6.736
  368    HB2  LYS 175           HB2      LYS 175 -18.113  -8.125   8.887
  369    HB3  LYS 175           HB1      LYS 175 -16.851  -8.869   7.918
  370    HG2  LYS 175           HG2      LYS 175 -16.803  -6.054   8.983
  371    HG3  LYS 175           HG1      LYS 175 -15.950  -7.430   9.677
  372    HD2  LYS 175           HD2      LYS 175 -14.689  -7.673   7.565
  373    HD3  LYS 175           HD1      LYS 175 -15.501  -6.235   6.942
  374    HE2  LYS 175           HE2      LYS 175 -14.567  -4.924   8.801
  375    HE3  LYS 175           HE1      LYS 175 -13.735  -6.366   9.380
  376    HZ1  LYS 175           HZ1      LYS 175 -12.374  -6.404   7.484
  377    HZ2  LYS 175           HZ2      LYS 175 -12.361  -4.803   8.030
  378    HZ3  LYS 175           HZ3      LYS 175 -13.297  -5.233   6.685
  379    H    ALA 176           H        ALA 176 -18.593  -9.799   6.277
  380    HA   ALA 176           HA       ALA 176 -16.497 -10.381   4.480
  381    HB1  ALA 176           HB1      ALA 176 -19.168 -11.751   4.752
  382    HB2  ALA 176           HB2      ALA 176 -17.733 -12.095   5.717
  383    HB3  ALA 176           HB3      ALA 176 -17.728 -12.417   3.983
  384    H    GLN 177           H        GLN 177 -19.776  -9.211   4.010
  385    HA   GLN 177           HA       GLN 177 -19.930  -9.439   1.206
  386    HB2  GLN 177           HB2      GLN 177 -21.261  -7.672   3.251
  387    HB3  GLN 177           HB1      GLN 177 -21.534  -7.398   1.536
  388    HG2  GLN 177           HG2      GLN 177 -21.939 -10.135   2.636
  389    HG3  GLN 177           HG1      GLN 177 -23.157  -8.892   2.933
  390   HE21  GLN 177          1HE2      GLN 177 -21.577 -10.842   0.503
  391   HE22  GLN 177          2HE2      GLN 177 -22.711 -10.514  -0.759
  392    H    LEU 178           H        LEU 178 -18.761  -6.878   3.327
  393    HA   LEU 178           HA       LEU 178 -18.164  -5.007   1.325
  394    HB2  LEU 178           HB2      LEU 178 -16.841  -5.454   4.001
  395    HB3  LEU 178           HB1      LEU 178 -16.605  -4.040   2.990
  396    HG   LEU 178           HG       LEU 178 -19.221  -4.875   4.244
  397   HD11  LEU 178          1HD1      LEU 178 -17.604  -4.075   5.879
  398   HD12  LEU 178          2HD1      LEU 178 -18.916  -2.916   5.656
  399   HD13  LEU 178          3HD1      LEU 178 -17.341  -2.618   4.917
  400   HD21  LEU 178          3HD2      LEU 178 -19.562  -3.727   2.137
  401   HD22  LEU 178          1HD2      LEU 178 -18.474  -2.436   2.639
  402   HD23  LEU 178          2HD2      LEU 178 -20.005  -2.676   3.483
  403    H    VAL 179           H        VAL 179 -16.112  -7.435   2.921
  404    HA   VAL 179           HA       VAL 179 -13.760  -6.911   1.527
  405    HB   VAL 179           HB       VAL 179 -14.761  -9.477   2.767
  406   HG11  VAL 179          1HG1      VAL 179 -13.068  -9.972   1.078
  407   HG12  VAL 179          2HG1      VAL 179 -12.452 -10.255   2.707
  408   HG13  VAL 179          3HG1      VAL 179 -11.979  -8.804   1.823
  409   HG21  VAL 179          3HG2      VAL 179 -14.474  -7.628   4.321
  410   HG22  VAL 179          1HG2      VAL 179 -12.830  -7.377   3.735
  411   HG23  VAL 179          2HG2      VAL 179 -13.244  -8.865   4.587
  412    H    GLU 180           H        GLU 180 -16.346  -9.261   0.791
  413    HA   GLU 180           HA       GLU 180 -15.016 -10.451  -1.367
  414    HB2  GLU 180           HB2      GLU 180 -17.039 -11.560  -1.871
  415    HB3  GLU 180           HB1      GLU 180 -16.969 -11.401  -0.123
  416    HG2  GLU 180           HG2      GLU 180 -18.563  -9.707  -0.102
  417    HG3  GLU 180           HG1      GLU 180 -18.420  -9.466  -1.840
  418    H    ILE 181           H        ILE 181 -17.407  -7.834  -1.336
  419    HA   ILE 181           HA       ILE 181 -17.420  -7.556  -4.171
  420    HB   ILE 181           HB       ILE 181 -18.281  -5.577  -2.052
  421   HG12  ILE 181          2HG1      ILE 181 -19.931  -7.516  -3.692
  422   HG13  ILE 181          1HG1      ILE 181 -19.446  -7.789  -2.022
  423   HG21  ILE 181          1HG2      ILE 181 -19.601  -4.534  -3.836
  424   HG22  ILE 181          2HG2      ILE 181 -18.910  -5.660  -5.004
  425   HG23  ILE 181          3HG2      ILE 181 -17.875  -4.482  -4.197
  426   HD11  ILE 181          3HD1      ILE 181 -20.707  -5.789  -1.355
  427   HD12  ILE 181          1HD1      ILE 181 -21.727  -7.008  -2.123
  428   HD13  ILE 181          2HD1      ILE 181 -21.226  -5.581  -3.030
  429    H    VAL 182           H        VAL 182 -15.619  -5.953  -1.560
  430    HA   VAL 182           HA       VAL 182 -14.424  -3.970  -3.198
  431    HB   VAL 182           HB       VAL 182 -13.516  -5.140  -0.559
  432   HG11  VAL 182          1HG1      VAL 182 -12.335  -2.830  -2.103
  433   HG12  VAL 182          2HG1      VAL 182 -11.547  -4.370  -1.762
  434   HG13  VAL 182          3HG1      VAL 182 -11.924  -3.262  -0.442
  435   HG21  VAL 182          3HG2      VAL 182 -14.735  -2.486  -1.306
  436   HG22  VAL 182          1HG2      VAL 182 -14.197  -2.946   0.309
  437   HG23  VAL 182          2HG2      VAL 182 -15.540  -3.801  -0.450
  438    H    GLY 183           H        GLY 183 -13.348  -7.185  -2.140
  439    HA2  GLY 183           HA2      GLY 183 -10.829  -7.104  -3.380
  440    HA3  GLY 183           HA1      GLY 183 -11.684  -8.554  -2.885
  441    H    CYS 184           H        CYS 184 -13.937  -8.304  -4.487
  442    HA   CYS 184           HA       CYS 184 -13.114  -9.450  -6.894
  443    HB2  CYS 184           HB2      CYS 184 -15.378  -9.691  -5.856
  444    HB3  CYS 184           HB1      CYS 184 -15.746  -8.049  -6.370
  445    HG   CYS 184           HG       CYS 184 -15.011 -10.629  -8.493
  446    H    HIS 185           H        HIS 185 -14.152  -6.125  -6.177
  447    HA   HIS 185           HA       HIS 185 -13.737  -5.247  -8.888
  448    HB2  HIS 185           HB2      HIS 185 -15.424  -4.224  -7.358
  449    HB3  HIS 185           HB1      HIS 185 -14.106  -3.588  -6.383
  450    HD1  HIS 185           HD1      HIS 185 -12.834  -1.544  -7.286
  451    HD2  HIS 185           HD2      HIS 185 -15.867  -2.895  -9.794
  452    HE1  HIS 185           HE1      HIS 185 -13.182   0.285  -8.983
  453    HE2  HIS 185           HE2      HIS 185 -15.043  -0.536 -10.473
  454    H    PHE 186           H        PHE 186 -11.891  -5.357  -5.950
  455    HA   PHE 186           HA       PHE 186  -9.902  -3.474  -6.486
  456    HB2  PHE 186           HB2      PHE 186 -10.441  -4.785  -4.336
  457    HB3  PHE 186           HB1      PHE 186  -9.446  -6.064  -5.018
  458    HD1  PHE 186           HD1      PHE 186  -9.224  -2.377  -4.522
  459    HD2  PHE 186           HD2      PHE 186  -7.302  -6.160  -4.234
  460    HE1  PHE 186           HE1      PHE 186  -7.240  -1.294  -3.570
  461    HE2  PHE 186           HE2      PHE 186  -5.313  -5.078  -3.278
  462    HZ   PHE 186           HZ       PHE 186  -5.280  -2.641  -2.945
  463    H    LYS 187           H        LYS 187 -10.198  -6.868  -7.361
  464    HA   LYS 187           HA       LYS 187  -7.590  -7.042  -8.533
  465    HB2  LYS 187           HB2      LYS 187 -10.002  -8.841  -8.790
  466    HB3  LYS 187           HB1      LYS 187  -8.401  -9.221  -9.404
  467    HG2  LYS 187           HG2      LYS 187  -7.496  -9.215  -7.164
  468    HG3  LYS 187           HG1      LYS 187  -9.057  -8.718  -6.510
  469    HD2  LYS 187           HD2      LYS 187  -8.777 -11.087  -6.172
  470    HD3  LYS 187           HD1      LYS 187 -10.041 -10.821  -7.374
  471    HE2  LYS 187           HE2      LYS 187  -8.638 -12.629  -8.105
  472    HE3  LYS 187           HE1      LYS 187  -8.367 -11.240  -9.155
  473    HZ1  LYS 187           HZ1      LYS 187  -6.323 -10.765  -8.050
  474    HZ2  LYS 187           HZ2      LYS 187  -6.311 -12.413  -8.448
  475    HZ3  LYS 187           HZ3      LYS 187  -6.625 -11.931  -6.853
  476    H    SER 188           H        SER 188 -10.038  -5.213  -9.570
  477    HA   SER 188           HA       SER 188  -9.315  -5.655 -12.385
  478    HB2  SER 188           HB2      SER 188 -11.659  -4.935 -12.992
  479    HB3  SER 188           HB1      SER 188 -11.544  -6.505 -12.200
  480    HG   SER 188           HG       SER 188 -11.824  -4.659 -10.313
  481    H    ILE 189           H        ILE 189  -8.463  -3.736 -10.179
  482    HA   ILE 189           HA       ILE 189  -9.237  -1.177 -11.337
  483    HB   ILE 189           HB       ILE 189  -7.314  -1.772  -9.080
  484   HG12  ILE 189          2HG1      ILE 189 -10.145  -0.706  -9.026
  485   HG13  ILE 189          1HG1      ILE 189  -9.655  -2.328  -8.546
  486   HG21  ILE 189          1HG2      ILE 189  -6.749   0.310 -10.200
  487   HG22  ILE 189          2HG2      ILE 189  -7.441   0.639  -8.611
  488   HG23  ILE 189          3HG2      ILE 189  -8.418   0.862 -10.061
  489   HD11  ILE 189          3HD1      ILE 189  -9.997  -0.917  -6.609
  490   HD12  ILE 189          1HD1      ILE 189  -8.818   0.242  -7.223
  491   HD13  ILE 189          2HD1      ILE 189  -8.300  -1.376  -6.749
  492    HA   PRO 190           HA       PRO 190  -5.594  -1.365 -13.976
  493    HB2  PRO 190           HB2      PRO 190  -6.573   1.065 -15.199
  494    HB3  PRO 190           HB1      PRO 190  -6.515  -0.561 -15.881
  495    HG2  PRO 190           HG2      PRO 190  -8.836   0.740 -15.251
  496    HG3  PRO 190           HG1      PRO 190  -8.672  -1.025 -15.289
  497    HD2  PRO 190           HD2      PRO 190  -8.640   0.836 -12.941
  498    HD3  PRO 190           HD1      PRO 190  -9.398  -0.764 -13.104
  499    H    VAL 191           H        VAL 191  -3.644  -0.408 -13.732
  500    HA   VAL 191           HA       VAL 191  -3.575   2.207 -12.382
  501    HB   VAL 191           HB       VAL 191  -1.227   1.267 -11.571
  502   HG11  VAL 191          1HG1      VAL 191  -3.028   2.145 -10.149
  503   HG12  VAL 191          2HG1      VAL 191  -2.218   0.748  -9.439
  504   HG13  VAL 191          3HG1      VAL 191  -3.807   0.561 -10.186
  505   HG21  VAL 191          3HG2      VAL 191  -2.939  -1.211 -11.737
  506   HG22  VAL 191          1HG2      VAL 191  -1.393  -1.081 -10.904
  507   HG23  VAL 191          2HG2      VAL 191  -1.466  -0.904 -12.659
  508    H    ASN 192           H        ASN 192  -1.514   3.335 -12.623
  509    HA   ASN 192           HA       ASN 192  -0.124   2.747 -15.153
  510    HB2  ASN 192           HB2      ASN 192  -1.196   5.335 -14.092
  511    HB3  ASN 192           HB1      ASN 192   0.288   5.362 -15.034
  512   HD21  ASN 192          1HD2      ASN 192  -0.703   6.577 -16.631
  513   HD22  ASN 192          2HD2      ASN 192  -1.822   5.871 -17.753
  514    H    GLU 193           H        GLU 193   1.885   2.108 -14.640
  515    HA   GLU 193           HA       GLU 193   2.907   2.014 -12.094
  516    HB2  GLU 193           HB2      GLU 193   3.733   0.702 -14.019
  517    HB3  GLU 193           HB1      GLU 193   4.519   2.145 -14.646
  518    HG2  GLU 193           HG2      GLU 193   5.917   2.243 -12.642
  519    HG3  GLU 193           HG1      GLU 193   5.144   0.775 -12.041
  520    H    LYS 194           H        LYS 194   4.048   4.269 -14.625
  521    HA   LYS 194           HA       LYS 194   5.722   5.810 -13.037
  522    HB2  LYS 194           HB2      LYS 194   5.826   6.028 -15.392
  523    HB3  LYS 194           HB1      LYS 194   4.130   6.482 -15.495
  524    HG2  LYS 194           HG2      LYS 194   4.585   8.595 -14.432
  525    HG3  LYS 194           HG1      LYS 194   6.271   8.138 -14.179
  526    HD2  LYS 194           HD2      LYS 194   6.656   8.066 -16.545
  527    HD3  LYS 194           HD1      LYS 194   4.948   8.357 -16.871
  528    HE2  LYS 194           HE2      LYS 194   6.790  10.265 -15.445
  529    HE3  LYS 194           HE1      LYS 194   6.341  10.381 -17.145
  530    HZ1  LYS 194           HZ1      LYS 194   4.996  11.846 -15.774
  531    HZ2  LYS 194           HZ2      LYS 194   4.459  10.534 -14.849
  532    HZ3  LYS 194           HZ3      LYS 194   4.030  10.643 -16.483
  533    H    ASP 195           H        ASP 195   2.360   6.520 -13.940
  534    HA   ASP 195           HA       ASP 195   2.230   8.966 -12.570
  535    HB2  ASP 195           HB2      ASP 195  -0.055   7.142 -13.344
  536    HB3  ASP 195           HB1      ASP 195  -0.188   8.847 -12.927
  537    H    THR 196           H        THR 196   1.109   5.740 -11.638
  538    HA   THR 196           HA       THR 196  -0.172   6.540  -9.265
  539    HB   THR 196           HB       THR 196   0.971   3.841  -9.995
  540    HG1  THR 196           HG1      THR 196  -1.413   5.208 -10.599
  541   HG21  THR 196          3HG2      THR 196  -0.669   2.953  -8.397
  542   HG22  THR 196          1HG2      THR 196  -1.118   4.600  -7.950
  543   HG23  THR 196          2HG2      THR 196   0.505   4.002  -7.603
  544    H    LEU 197           H        LEU 197   3.136   5.347  -9.875
  545    HA   LEU 197           HA       LEU 197   3.921   5.324  -7.152
  546    HB2  LEU 197           HB2      LEU 197   5.572   5.671  -9.658
  547    HB3  LEU 197           HB1      LEU 197   6.253   5.471  -8.054
  548    HG   LEU 197           HG       LEU 197   4.610   3.443  -9.568
  549   HD11  LEU 197          1HD1      LEU 197   6.692   2.138  -9.510
  550   HD12  LEU 197          2HD1      LEU 197   7.511   3.508  -8.751
  551   HD13  LEU 197          3HD1      LEU 197   6.878   3.656 -10.391
  552   HD21  LEU 197          3HD2      LEU 197   5.080   1.946  -7.686
  553   HD22  LEU 197          1HD2      LEU 197   4.105   3.330  -7.192
  554   HD23  LEU 197          2HD2      LEU 197   5.827   3.284  -6.813
  555    H    THR 198           H        THR 198   4.104   7.776  -9.683
  556    HA   THR 198           HA       THR 198   5.498   9.744  -8.259
  557    HB   THR 198           HB       THR 198   3.357  10.203 -10.350
  558    HG1  THR 198           HG1      THR 198   4.897   8.830 -11.223
  559   HG21  THR 198          3HG2      THR 198   4.034  12.241  -9.176
  560   HG22  THR 198          1HG2      THR 198   4.621  12.249 -10.838
  561   HG23  THR 198          2HG2      THR 198   5.727  11.881  -9.515
  562    H    CYS 199           H        CYS 199   2.022   9.051  -8.456
  563    HA   CYS 199           HA       CYS 199   1.048  11.156  -6.923
  564    HB2  CYS 199           HB2      CYS 199   0.096   8.312  -7.261
  565    HB3  CYS 199           HB1      CYS 199  -0.828   9.540  -6.417
  566    HG   CYS 199           HG       CYS 199  -0.378  11.124  -9.018
  567    H    PHE 200           H        PHE 200   1.877   7.858  -5.887
  568    HA   PHE 200           HA       PHE 200   1.359   8.196  -3.174
  569    HB2  PHE 200           HB2      PHE 200   1.613   5.991  -4.064
  570    HB3  PHE 200           HB1      PHE 200   3.250   6.339  -4.620
  571    HD1  PHE 200           HD2      PHE 200   1.252   6.238  -1.463
  572    HD2  PHE 200           HD1      PHE 200   5.014   5.628  -3.352
  573    HE1  PHE 200           HE2      PHE 200   2.167   5.356   0.644
  574    HE2  PHE 200           HE1      PHE 200   5.934   4.742  -1.253
  575    HZ   PHE 200           HZ       PHE 200   4.507   4.606   0.751
  576    H    ILE 201           H        ILE 201   4.428   8.498  -4.922
  577    HA   ILE 201           HA       ILE 201   6.072   8.904  -2.721
  578    HB   ILE 201           HB       ILE 201   6.383   9.869  -5.562
  579   HG12  ILE 201          2HG1      ILE 201   7.581   7.545  -4.043
  580   HG13  ILE 201          1HG1      ILE 201   6.317   7.439  -5.263
  581   HG21  ILE 201          1HG2      ILE 201   7.720  11.282  -4.111
  582   HG22  ILE 201          2HG2      ILE 201   8.757  10.206  -5.047
  583   HG23  ILE 201          3HG2      ILE 201   8.429   9.859  -3.349
  584   HD11  ILE 201          3HD1      ILE 201   9.160   8.310  -5.695
  585   HD12  ILE 201          1HD1      ILE 201   7.901   8.309  -6.930
  586   HD13  ILE 201          2HD1      ILE 201   8.425   6.788  -6.207
  587    H    TYR 202           H        TYR 202   4.595  11.366  -4.843
  588    HA   TYR 202           HA       TYR 202   5.779  13.514  -3.397
  589    HB2  TYR 202           HB2      TYR 202   3.779  13.331  -5.612
  590    HB3  TYR 202           HB1      TYR 202   4.021  14.868  -4.785
  591    HD1  TYR 202           HD1      TYR 202   5.799  12.211  -6.684
  592    HD2  TYR 202           HD2      TYR 202   5.840  16.236  -5.316
  593    HE1  TYR 202           HE1      TYR 202   7.770  12.661  -8.087
  594    HE2  TYR 202           HE2      TYR 202   7.807  16.701  -6.711
  595    HH   TYR 202           HH       TYR 202   8.979  14.437  -9.072
  596    H    SER 203           H        SER 203   2.650  11.910  -3.184
  597    HA   SER 203           HA       SER 203   1.442  13.947  -1.608
  598    HB2  SER 203           HB2      SER 203   0.725  11.015  -1.856
  599    HB3  SER 203           HB1      SER 203  -0.286  12.256  -1.117
  600    HG   SER 203           HG       SER 203  -0.558  11.624  -3.494
  601    H    VAL 204           H        VAL 204   3.082  10.892  -0.776
  602    HA   VAL 204           HA       VAL 204   2.606  11.212   2.034
  603    HB   VAL 204           HB       VAL 204   4.539   9.375   0.607
  604   HG11  VAL 204          1HG1      VAL 204   5.099   9.693   2.977
  605   HG12  VAL 204          2HG1      VAL 204   4.524   8.057   2.655
  606   HG13  VAL 204          3HG1      VAL 204   3.456   9.231   3.422
  607   HG21  VAL 204          3HG2      VAL 204   1.738   8.867   1.607
  608   HG22  VAL 204          1HG2      VAL 204   2.811   7.674   0.877
  609   HG23  VAL 204          2HG2      VAL 204   2.219   9.032  -0.082
  610    H    ARG 205           H        ARG 205   5.150  12.125  -0.174
  611    HA   ARG 205           HA       ARG 205   7.094  12.726   1.825
  612    HB2  ARG 205           HB2      ARG 205   6.887  12.946  -1.073
  613    HB3  ARG 205           HB1      ARG 205   7.726  14.318  -0.357
  614    HG2  ARG 205           HG2      ARG 205   9.407  12.966   0.548
  615    HG3  ARG 205           HG1      ARG 205   8.450  11.497   0.348
  616    HD2  ARG 205           HD2      ARG 205  10.287  11.680  -1.289
  617    HD3  ARG 205           HD1      ARG 205   8.697  11.604  -2.043
  618    HE   ARG 205           HE       ARG 205   9.342  14.293  -1.752
  619   HH11  ARG 205          1HH1      ARG 205  10.682  11.501  -3.396
  620   HH12  ARG 205          2HH1      ARG 205  11.184  12.413  -4.799
  621   HH21  ARG 205          1HH2      ARG 205  10.025  15.496  -3.553
  622   HH22  ARG 205          2HH2      ARG 205  10.818  14.698  -4.888
  623    H    ASN 206           H        ASN 206   4.217  14.227   0.974
  624    HA   ASN 206           HA       ASN 206   5.123  16.763   2.146
  625    HB2  ASN 206           HB2      ASN 206   2.804  16.080   0.367
  626    HB3  ASN 206           HB1      ASN 206   2.747  17.516   1.383
  627   HD21  ASN 206          1HD2      ASN 206   2.782  17.295  -1.506
  628   HD22  ASN 206          2HD2      ASN 206   4.159  18.191  -2.043
  629    H    ASP 207           H        ASP 207   2.409  14.440   2.322
  630    HA   ASP 207           HA       ASP 207   2.400  14.616   5.201
  631    HB2  ASP 207           HB2      ASP 207   1.074  16.643   4.396
  632    HB3  ASP 207           HB1      ASP 207  -0.126  15.489   3.812
  633    H    LYS 208           H        LYS 208   0.077  13.826   2.643
  634    HA   LYS 208           HA       LYS 208   0.311  11.042   2.951
  635    HB2  LYS 208           HB2      LYS 208  -2.014  10.723   3.927
  636    HB3  LYS 208           HB1      LYS 208  -0.718  11.168   5.024
  637    HG2  LYS 208           HG2      LYS 208  -1.473  13.502   4.946
  638    HG3  LYS 208           HG1      LYS 208  -2.814  13.011   3.901
  639    HD2  LYS 208           HD2      LYS 208  -3.755  13.008   6.007
  640    HD3  LYS 208           HD1      LYS 208  -3.329  11.320   5.738
  641    HE2  LYS 208           HE2      LYS 208  -2.575  11.654   7.891
  642    HE3  LYS 208           HE1      LYS 208  -1.122  11.961   6.941
  643    HZ1  LYS 208           HZ1      LYS 208  -2.972  14.038   7.989
  644    HZ2  LYS 208           HZ2      LYS 208  -1.558  14.334   7.097
  645    HZ3  LYS 208           HZ3      LYS 208  -1.460  13.645   8.645
  646    H    ASN 209           H        ASN 209  -2.451  13.243   2.447
  647    HA   ASN 209           HA       ASN 209  -2.330  12.822  -0.393
  648    HB2  ASN 209           HB2      ASN 209  -4.725  12.052  -0.539
  649    HB3  ASN 209           HB1      ASN 209  -3.604  10.855   0.095
  650   HD21  ASN 209          1HD2      ASN 209  -5.297   9.724   1.048
  651   HD22  ASN 209          2HD2      ASN 209  -6.075  10.286   2.487
  652    H    LYS 210           H        LYS 210  -3.984  14.156  -1.529
  653    HA   LYS 210           HA       LYS 210  -4.162  16.693  -0.130
  654    HB2  LYS 210           HB2      LYS 210  -3.229  16.563  -2.439
  655    HB3  LYS 210           HB1      LYS 210  -4.814  16.063  -3.011
  656    HG2  LYS 210           HG2      LYS 210  -5.767  18.184  -2.349
  657    HG3  LYS 210           HG1      LYS 210  -4.225  18.684  -1.650
  658    HD2  LYS 210           HD2      LYS 210  -4.479  19.706  -3.816
  659    HD3  LYS 210           HD1      LYS 210  -3.198  18.496  -3.894
  660    HE2  LYS 210           HE2      LYS 210  -4.776  16.903  -4.881
  661    HE3  LYS 210           HE1      LYS 210  -6.043  18.126  -4.822
  662    HZ1  LYS 210           HZ1      LYS 210  -4.611  19.519  -6.268
  663    HZ2  LYS 210           HZ2      LYS 210  -5.135  18.086  -7.005
  664    HZ3  LYS 210           HZ3      LYS 210  -3.547  18.205  -6.427
  665    H    SER 211           H        SER 211  -5.822  16.159   1.320
  666    HA   SER 211           HA       SER 211  -8.487  15.824   0.122
  667    HB2  SER 211           HB2      SER 211  -7.595  15.313   2.973
  668    HB3  SER 211           HB1      SER 211  -9.182  14.948   2.294
  669    HG   SER 211           HG       SER 211  -6.816  13.559   2.093
  670    H    ASP 212           H        ASP 212  -6.591  18.247   1.002
  671    HA   ASP 212           HA       ASP 212  -8.654  19.734   2.475
  672    HB2  ASP 212           HB2      ASP 212  -6.536  19.694   3.644
  673    HB3  ASP 212           HB1      ASP 212  -5.685  20.242   2.204
  674    H    LEU 213           H        LEU 213  -9.911  20.875   1.201
  675    HA   LEU 213           HA       LEU 213  -8.725  22.283  -1.099
  676    HB2  LEU 213           HB2      LEU 213 -11.588  21.392  -0.698
  677    HB3  LEU 213           HB1      LEU 213 -10.984  22.273  -2.089
  678    HG   LEU 213           HG       LEU 213 -10.152  19.477  -1.298
  679   HD11  LEU 213          1HD1      LEU 213 -12.444  19.573  -2.121
  680   HD12  LEU 213          2HD1      LEU 213 -11.379  18.781  -3.284
  681   HD13  LEU 213          3HD1      LEU 213 -11.899  20.446  -3.553
  682   HD21  LEU 213          3HD2      LEU 213  -9.454  21.130  -3.723
  683   HD22  LEU 213          1HD2      LEU 213  -9.013  19.445  -3.459
  684   HD23  LEU 213          2HD2      LEU 213  -8.357  20.699  -2.409
  685    H    LYS 214           H        LYS 214 -10.007  24.344  -1.635
  686    HA   LYS 214           HA       LYS 214  -9.888  25.971   0.713
  687    HB2  LYS 214           HB2      LYS 214 -10.432  27.841  -0.787
  688    HB3  LYS 214           HB1      LYS 214  -9.099  26.874  -1.393
  689    HG2  LYS 214           HG2      LYS 214 -10.602  25.779  -2.975
  690    HG3  LYS 214           HG1      LYS 214 -11.952  26.730  -2.355
  691    HD2  LYS 214           HD2      LYS 214  -9.470  27.864  -3.652
  692    HD3  LYS 214           HD1      LYS 214 -11.030  27.651  -4.449
  693    HE2  LYS 214           HE2      LYS 214 -12.048  29.164  -2.785
  694    HE3  LYS 214           HE1      LYS 214 -10.457  29.418  -2.070
  695    HZ1  LYS 214           HZ1      LYS 214  -9.704  30.350  -4.173
  696    HZ2  LYS 214           HZ2      LYS 214 -11.039  31.206  -3.574
  697    HZ3  LYS 214           HZ3      LYS 214 -11.240  30.111  -4.852
  698    H    ALA 215           H        ALA 215 -11.457  26.752   1.950
  699    HA   ALA 215           HA       ALA 215 -14.248  26.490   1.068
  700    HB1  ALA 215           HB1      ALA 215 -13.759  24.584   2.527
  701    HB2  ALA 215           HB2      ALA 215 -14.912  25.687   3.277
  702    HB3  ALA 215           HB3      ALA 215 -13.225  25.688   3.795
  703    H    ASP 216           H        ASP 216 -12.015  27.869   3.462
  704    HA   ASP 216           HA       ASP 216 -13.860  30.072   3.963
  705    HB2  ASP 216           HB2      ASP 216 -11.232  29.277   5.211
  706    HB3  ASP 216           HB1      ASP 216 -12.037  30.796   5.589
  707    H    SER 217           H        SER 217 -13.837  31.780   2.714
  708    HA   SER 217           HA       SER 217 -11.353  33.067   1.998
  709    HB2  SER 217           HB2      SER 217 -12.015  33.106  -0.464
  710    HB3  SER 217           HB1      SER 217 -11.411  31.566   0.150
  711    HG   SER 217           HG       SER 217 -13.855  31.264   0.566
  712    H    GLY 218           H        GLY 218 -11.625  35.254   1.712
  713    HA2  GLY 218           HA2      GLY 218 -14.409  36.229   1.624
  714    HA3  GLY 218           HA1      GLY 218 -13.264  36.866   2.796
  715    H    VAL 219           H        VAL 219 -13.850  36.501  -0.665
  716    HA   VAL 219           HA       VAL 219 -11.926  38.621  -1.233
  717    HB   VAL 219           HB       VAL 219 -11.873  36.589  -2.629
  718   HG11  VAL 219          1HG1      VAL 219 -14.608  37.448  -3.562
  719   HG12  VAL 219          2HG1      VAL 219 -14.235  36.015  -2.604
  720   HG13  VAL 219          3HG1      VAL 219 -13.642  36.148  -4.260
  721   HG21  VAL 219          3HG2      VAL 219 -11.831  37.693  -4.820
  722   HG22  VAL 219          1HG2      VAL 219 -11.056  38.668  -3.572
  723   HG23  VAL 219          2HG2      VAL 219 -12.679  39.076  -4.128
  724    H    HIS 220           H        HIS 220 -15.323  38.085  -0.999
  725    HA   HIS 220           HA       HIS 220 -17.152  39.408  -1.224
  726    HB2  HIS 220           HB2      HIS 220 -15.964  41.082   0.086
  727    HB3  HIS 220           HB1      HIS 220 -15.098  41.634  -1.341
  728    HD1  HIS 220           HD1      HIS 220 -16.170  43.441  -2.701
  729    HD2  HIS 220           HD2      HIS 220 -18.794  41.769   0.054
  730    HE1  HIS 220           HE1      HIS 220 -18.218  44.899  -2.751
  731    HE2  HIS 220           HE2      HIS 220 -19.842  43.806  -1.160
  732    H1   SER 454           HT1      SER 454   8.301  18.812   4.659
  733    H2   SER 454           HT2      SER 454   8.386  18.704   2.971
  734    H3   SER 454           HT3      SER 454   8.696  20.178   3.746
  735    HA   SER 454           HA       SER 454  10.328  17.723   3.941
  736    HB2  SER 454           HB2      SER 454  12.045  19.213   2.815
  737    HB3  SER 454           HB1      SER 454  10.674  18.756   1.806
  738    HG   SER 454           HG       SER 454  11.339  21.068   1.827
  739    H    ASN 455           H        ASN 455  11.805  17.661   5.559
  740    HA   ASN 455           HA       ASN 455  11.775  19.935   7.432
  741    HB2  ASN 455           HB2      ASN 455  12.253  16.987   7.890
  742    HB3  ASN 455           HB1      ASN 455  12.603  18.209   9.108
  743   HD21  ASN 455          1HD2      ASN 455  11.089  17.303  10.517
  744   HD22  ASN 455          2HD2      ASN 455   9.382  17.495  10.269
  745    H    ALA 456           H        ALA 456  13.918  17.429   6.124
  746    HA   ALA 456           HA       ALA 456  16.089  19.375   6.054
  747    HB1  ALA 456           HB1      ALA 456  16.362  18.235   8.206
  748    HB2  ALA 456           HB2      ALA 456  17.676  17.836   7.100
  749    HB3  ALA 456           HB3      ALA 456  16.376  16.676   7.384
  750    H    SER 457           H        SER 457  17.863  18.664   4.656
  751    HA   SER 457           HA       SER 457  16.827  17.035   2.472
  752    HB2  SER 457           HB2      SER 457  19.331  18.731   2.629
  753    HB3  SER 457           HB1      SER 457  18.691  17.957   1.176
  754    HG   SER 457           HG       SER 457  16.712  19.342   2.216
  755    H    LYS 458           H        LYS 458  17.085  14.936   2.887
  756    HA   LYS 458           HA       LYS 458  19.517  13.924   4.101
  757    HB2  LYS 458           HB2      LYS 458  18.384  11.754   4.051
  758    HB3  LYS 458           HB1      LYS 458  17.348  12.981   4.765
  759    HG2  LYS 458           HG2      LYS 458  16.206  13.198   2.567
  760    HG3  LYS 458           HG1      LYS 458  17.161  11.830   1.994
  761    HD2  LYS 458           HD2      LYS 458  16.218  10.463   3.837
  762    HD3  LYS 458           HD1      LYS 458  15.190  11.829   4.277
  763    HE2  LYS 458           HE2      LYS 458  15.180  10.343   1.651
  764    HE3  LYS 458           HE1      LYS 458  13.955  10.243   2.915
  765    HZ1  LYS 458           HZ1      LYS 458  14.632  12.713   1.401
  766    HZ2  LYS 458           HZ2      LYS 458  13.392  12.544   2.547
  767    HZ3  LYS 458           HZ3      LYS 458  13.308  11.703   1.074
  768    H    HIS 459           H        HIS 459  20.600  11.997   3.054
  769    HA   HIS 459           HA       HIS 459  21.400  12.747   0.417
  770    HB2  HIS 459           HB2      HIS 459  22.942  10.894   0.484
  771    HB3  HIS 459           HB1      HIS 459  22.967  11.700   2.043
  772    HD1  HIS 459           HD1      HIS 459  22.141   8.462   0.398
  773    HD2  HIS 459           HD2      HIS 459  21.961  10.162   4.192
  774    HE1  HIS 459           HE1      HIS 459  21.792   6.548   1.984
  775    HE2  HIS 459           HE2      HIS 459  21.894   7.577   4.281
  776    H    GLY 460           H        GLY 460  19.012  10.628   1.686
  777    HA2  GLY 460           HA2      GLY 460  18.656   9.096  -0.718
  778    HA3  GLY 460           HA1      GLY 460  17.566   9.151   0.662
  779    H    VAL 461           H        VAL 461  18.390  10.548  -2.402
  780    HA   VAL 461           HA       VAL 461  15.941  12.179  -2.308
  781    HB   VAL 461           HB       VAL 461  16.822  13.310  -4.342
  782   HG11  VAL 461          1HG1      VAL 461  18.578  14.590  -3.187
  783   HG12  VAL 461          2HG1      VAL 461  18.632  13.351  -1.931
  784   HG13  VAL 461          3HG1      VAL 461  17.170  14.308  -2.163
  785   HG21  VAL 461          3HG2      VAL 461  19.184  13.011  -4.940
  786   HG22  VAL 461          1HG2      VAL 461  18.251  11.535  -5.190
  787   HG23  VAL 461          2HG2      VAL 461  19.302  11.685  -3.782
  788    H    GLY 462           H        GLY 462  17.419   9.425  -3.710
  789    HA2  GLY 462           HA2      GLY 462  15.029   9.046  -5.407
  790    HA3  GLY 462           HA1      GLY 462  16.629   8.476  -5.869
  791    H    THR 463           H        THR 463  15.560   8.335  -2.582
  792    HA   THR 463           HA       THR 463  16.145   5.614  -2.280
  793    HB   THR 463           HB       THR 463  14.483   6.077  -0.196
  794    HG1  THR 463           HG1      THR 463  13.897   8.164  -0.887
  795   HG21  THR 463          3HG2      THR 463  16.849   5.454  -0.060
  796   HG22  THR 463          1HG2      THR 463  16.472   6.772   1.050
  797   HG23  THR 463          2HG2      THR 463  17.311   7.108  -0.463
  798    H    GLU 464           H        GLU 464  13.112   7.303  -2.870
  799    HA   GLU 464           HA       GLU 464  11.349   5.179  -2.539
  800    HB2  GLU 464           HB2      GLU 464  11.163   7.505  -4.464
  801    HB3  GLU 464           HB1      GLU 464   9.832   6.439  -4.046
  802    HG2  GLU 464           HG2      GLU 464   9.440   8.246  -2.690
  803    HG3  GLU 464           HG1      GLU 464  10.329   7.173  -1.613
  804    H    SER 465           H        SER 465  13.160   6.195  -5.411
  805    HA   SER 465           HA       SER 465  12.104   4.355  -7.226
  806    HB2  SER 465           HB2      SER 465  14.966   5.332  -7.188
  807    HB3  SER 465           HB1      SER 465  14.010   4.855  -8.591
  808    HG   SER 465           HG       SER 465  14.263   7.202  -8.105
  809    H    LEU 466           H        LEU 466  14.860   4.120  -5.024
  810    HA   LEU 466           HA       LEU 466  15.761   1.566  -5.745
  811    HB2  LEU 466           HB2      LEU 466  16.962   3.251  -4.324
  812    HB3  LEU 466           HB1      LEU 466  15.873   2.853  -3.012
  813    HG   LEU 466           HG       LEU 466  17.588   0.731  -4.273
  814   HD11  LEU 466          1HD1      LEU 466  18.367   2.585  -2.024
  815   HD12  LEU 466          2HD1      LEU 466  19.084   2.554  -3.635
  816   HD13  LEU 466          3HD1      LEU 466  19.274   1.170  -2.558
  817   HD21  LEU 466          3HD2      LEU 466  17.356  -0.309  -2.078
  818   HD22  LEU 466          1HD2      LEU 466  15.775   0.035  -2.782
  819   HD23  LEU 466          2HD2      LEU 466  16.420   1.076  -1.512
  820    H    PHE 467           H        PHE 467  13.555   2.579  -3.149
  821    HA   PHE 467           HA       PHE 467  12.808   0.116  -2.154
  822    HB2  PHE 467           HB2      PHE 467  12.102   2.154  -1.094
  823    HB3  PHE 467           HB1      PHE 467  11.185   2.637  -2.515
  824    HD1  PHE 467           HD2      PHE 467  11.356  -0.077   0.035
  825    HD2  PHE 467           HD1      PHE 467   8.921   2.221  -2.590
  826    HE1  PHE 467           HE2      PHE 467   9.346  -1.123   0.988
  827    HE2  PHE 467           HE1      PHE 467   6.905   1.174  -1.643
  828    HZ   PHE 467           HZ       PHE 467   7.119  -0.498   0.149
  829    H    PHE 468           H        PHE 468  11.179   1.912  -4.785
  830    HA   PHE 468           HA       PHE 468   9.190  -0.046  -5.171
  831    HB2  PHE 468           HB2      PHE 468  10.151   2.186  -6.950
  832    HB3  PHE 468           HB1      PHE 468   8.790   1.145  -7.363
  833    HD1  PHE 468           HD1      PHE 468   7.285   0.825  -4.998
  834    HD2  PHE 468           HD2      PHE 468   9.409   4.261  -6.325
  835    HE1  PHE 468           HE1      PHE 468   5.785   2.257  -3.679
  836    HE2  PHE 468           HE2      PHE 468   7.912   5.696  -5.005
  837    HZ   PHE 468           HZ       PHE 468   6.099   4.696  -3.680
  838    H    ASP 469           H        ASP 469  12.368   0.359  -6.659
  839    HA   ASP 469           HA       ASP 469  11.954  -1.546  -8.714
  840    HB2  ASP 469           HB2      ASP 469  13.858   0.024  -8.757
  841    HB3  ASP 469           HB1      ASP 469  14.564  -0.806  -7.371
  842    H    LYS 470           H        LYS 470  13.270  -1.817  -5.427
  843    HA   LYS 470           HA       LYS 470  13.730  -4.591  -5.488
  844    HB2  LYS 470           HB2      LYS 470  13.132  -2.711  -3.217
  845    HB3  LYS 470           HB1      LYS 470  13.431  -4.424  -2.962
  846    HG2  LYS 470           HG2      LYS 470  15.637  -4.170  -4.028
  847    HG3  LYS 470           HG1      LYS 470  15.336  -2.436  -4.176
  848    HD2  LYS 470           HD2      LYS 470  15.191  -2.213  -1.779
  849    HD3  LYS 470           HD1      LYS 470  15.339  -3.960  -1.575
  850    HE2  LYS 470           HE2      LYS 470  17.433  -2.155  -2.773
  851    HE3  LYS 470           HE1      LYS 470  17.448  -2.772  -1.120
  852    HZ1  LYS 470           HZ1      LYS 470  18.836  -4.193  -2.328
  853    HZ2  LYS 470           HZ2      LYS 470  17.778  -4.277  -3.647
  854    HZ3  LYS 470           HZ3      LYS 470  17.380  -5.055  -2.190
  855    H    VAL 471           H        VAL 471  10.867  -2.733  -4.482
  856    HA   VAL 471           HA       VAL 471   9.252  -4.872  -3.691
  857    HB   VAL 471           HB       VAL 471   8.417  -2.282  -5.020
  858   HG11  VAL 471          1HG1      VAL 471   6.766  -4.253  -3.443
  859   HG12  VAL 471          2HG1      VAL 471   6.644  -3.944  -5.175
  860   HG13  VAL 471          3HG1      VAL 471   6.215  -2.680  -4.022
  861   HG21  VAL 471          3HG2      VAL 471   8.638  -3.068  -2.118
  862   HG22  VAL 471          1HG2      VAL 471   7.937  -1.561  -2.708
  863   HG23  VAL 471          2HG2      VAL 471   9.645  -1.902  -2.977
  864    H    ARG 472           H        ARG 472   9.586  -3.346  -6.870
  865    HA   ARG 472           HA       ARG 472   7.725  -4.958  -8.235
  866    HB2  ARG 472           HB2      ARG 472   8.722  -2.772  -8.998
  867    HB3  ARG 472           HB1      ARG 472  10.184  -3.646  -9.406
  868    HG2  ARG 472           HG2      ARG 472   8.912  -4.974 -11.001
  869    HG3  ARG 472           HG1      ARG 472   7.457  -4.069 -10.593
  870    HD2  ARG 472           HD2      ARG 472   9.988  -2.915 -11.759
  871    HD3  ARG 472           HD1      ARG 472   8.489  -3.220 -12.641
  872    HE   ARG 472           HE       ARG 472   7.455  -1.584 -11.042
  873   HH11  ARG 472          1HH1      ARG 472  10.854  -1.437 -11.863
  874   HH12  ARG 472          2HH1      ARG 472  10.992   0.252 -11.488
  875   HH21  ARG 472          1HH2      ARG 472   7.645   0.622 -10.533
  876   HH22  ARG 472          2HH2      ARG 472   9.172   1.430 -10.765
  877    H    LYS 473           H        LYS 473  11.156  -5.355  -7.564
  878    HA   LYS 473           HA       LYS 473  11.462  -7.539  -9.411
  879    HB2  LYS 473           HB2      LYS 473  13.199  -5.737  -8.483
  880    HB3  LYS 473           HB1      LYS 473  13.491  -7.011  -7.307
  881    HG2  LYS 473           HG2      LYS 473  15.062  -7.210  -9.108
  882    HG3  LYS 473           HG1      LYS 473  13.943  -8.575  -9.164
  883    HD2  LYS 473           HD2      LYS 473  12.641  -7.409 -10.899
  884    HD3  LYS 473           HD1      LYS 473  13.797  -6.078 -10.855
  885    HE2  LYS 473           HE2      LYS 473  14.238  -7.571 -12.730
  886    HE3  LYS 473           HE1      LYS 473  15.571  -7.576 -11.577
  887    HZ1  LYS 473           HZ1      LYS 473  13.433  -9.633 -11.661
  888    HZ2  LYS 473           HZ2      LYS 473  14.837  -9.662 -10.712
  889    HZ3  LYS 473           HZ3      LYS 473  14.949  -9.801 -12.397
  890    H    ALA 474           H        ALA 474  10.959  -7.168  -5.956
  891    HA   ALA 474           HA       ALA 474  11.551  -9.923  -5.361
  892    HB1  ALA 474           HB1      ALA 474  11.981  -8.185  -3.709
  893    HB2  ALA 474           HB2      ALA 474  10.836  -9.375  -3.090
  894    HB3  ALA 474           HB3      ALA 474  10.261  -7.804  -3.650
  895    H    LEU 475           H        LEU 475   8.607  -7.929  -5.524
  896    HA   LEU 475           HA       LEU 475   6.777  -9.944  -4.864
  897    HB2  LEU 475           HB2      LEU 475   6.598  -7.341  -6.283
  898    HB3  LEU 475           HB1      LEU 475   5.260  -8.455  -6.481
  899    HG   LEU 475           HG       LEU 475   4.892  -8.493  -4.069
  900   HD11  LEU 475          1HD1      LEU 475   6.103  -6.936  -2.598
  901   HD12  LEU 475          2HD1      LEU 475   7.190  -6.548  -3.932
  902   HD13  LEU 475          3HD1      LEU 475   7.154  -8.183  -3.269
  903   HD21  LEU 475          3HD2      LEU 475   4.072  -6.226  -3.807
  904   HD22  LEU 475          1HD2      LEU 475   3.769  -6.804  -5.445
  905   HD23  LEU 475          2HD2      LEU 475   5.096  -5.683  -5.137
  906    H    ARG 476           H        ARG 476   7.926  -8.881  -8.058
  907    HA   ARG 476           HA       ARG 476   8.325 -10.038  -9.968
  908    HB2  ARG 476           HB2      ARG 476   7.675 -12.421  -8.238
  909    HB3  ARG 476           HB1      ARG 476   8.197 -12.551  -9.915
  910    HG2  ARG 476           HG2      ARG 476  10.324 -11.694  -9.437
  911    HG3  ARG 476           HG1      ARG 476   9.808 -11.067  -7.871
  912    HD2  ARG 476           HD2      ARG 476   9.620 -13.281  -6.979
  913    HD3  ARG 476           HD1      ARG 476   9.910 -13.995  -8.566
  914    HE   ARG 476           HE       ARG 476  12.191 -13.178  -8.434
  915   HH11  ARG 476          1HH1      ARG 476  10.367 -13.004  -5.445
  916   HH12  ARG 476          2HH1      ARG 476  11.779 -13.083  -4.430
  917   HH21  ARG 476          1HH2      ARG 476  14.028 -13.293  -7.117
  918   HH22  ARG 476          2HH2      ARG 476  13.863 -13.289  -5.384
  919    H    SER 477           H        SER 477   5.416 -11.244  -8.338
  920    HA   SER 477           HA       SER 477   4.079 -12.004 -10.711
  921    HB2  SER 477           HB2      SER 477   3.423 -12.974  -8.608
  922    HB3  SER 477           HB1      SER 477   3.064 -11.387  -7.929
  923    HG   SER 477           HG       SER 477   1.346 -12.934  -9.005
  924    H    ALA 478           H        ALA 478   2.963 -10.881 -12.125
  925    HA   ALA 478           HA       ALA 478   3.117  -8.135 -12.360
  926    HB1  ALA 478           HB1      ALA 478   1.505  -8.330 -14.151
  927    HB2  ALA 478           HB2      ALA 478   1.007  -9.918 -13.565
  928    HB3  ALA 478           HB3      ALA 478   2.632  -9.685 -14.209
  929    H    GLU 479           H        GLU 479   0.346 -10.067 -11.187
  930    HA   GLU 479           HA       GLU 479  -1.214  -7.711 -10.731
  931    HB2  GLU 479           HB2      GLU 479  -2.137 -10.053 -11.219
  932    HB3  GLU 479           HB1      GLU 479  -1.818 -10.401  -9.521
  933    HG2  GLU 479           HG2      GLU 479  -3.197  -8.386  -8.950
  934    HG3  GLU 479           HG1      GLU 479  -3.653  -8.303 -10.646
  935    H    ALA 480           H        ALA 480   1.079  -9.523  -8.877
  936    HA   ALA 480           HA       ALA 480   0.267  -8.671  -6.300
  937    HB1  ALA 480           HB1      ALA 480   3.039  -9.381  -7.251
  938    HB2  ALA 480           HB2      ALA 480   1.840 -10.520  -6.642
  939    HB3  ALA 480           HB3      ALA 480   2.509  -9.285  -5.574
  940    H    TYR 481           H        TYR 481   2.756  -7.435  -8.521
  941    HA   TYR 481           HA       TYR 481   3.353  -5.105  -7.052
  942    HB2  TYR 481           HB2      TYR 481   4.829  -5.933  -8.818
  943    HB3  TYR 481           HB1      TYR 481   3.580  -5.640 -10.026
  944    HD1  TYR 481           HD2      TYR 481   5.873  -3.959  -7.646
  945    HD2  TYR 481           HD1      TYR 481   3.290  -3.500 -10.996
  946    HE1  TYR 481           HE2      TYR 481   6.713  -1.671  -7.975
  947    HE2  TYR 481           HE1      TYR 481   4.120  -1.212 -11.332
  948    HH   TYR 481           HH       TYR 481   5.214   0.571 -10.024
  949    H    GLU 482           H        GLU 482   1.017  -5.786  -9.612
  950    HA   GLU 482           HA       GLU 482   0.030  -3.187  -9.939
  951    HB2  GLU 482           HB2      GLU 482  -0.480  -5.106 -11.455
  952    HB3  GLU 482           HB1      GLU 482  -1.521  -5.772 -10.203
  953    HG2  GLU 482           HG2      GLU 482  -2.920  -3.760 -10.318
  954    HG3  GLU 482           HG1      GLU 482  -1.889  -3.134 -11.602
  955    H    ASN 483           H        ASN 483  -0.887  -5.786  -7.716
  956    HA   ASN 483           HA       ASN 483  -3.124  -4.599  -6.570
  957    HB2  ASN 483           HB2      ASN 483  -2.367  -6.978  -6.300
  958    HB3  ASN 483           HB1      ASN 483  -1.148  -6.403  -5.168
  959   HD21  ASN 483          1HD2      ASN 483  -1.779  -5.648  -3.159
  960   HD22  ASN 483          2HD2      ASN 483  -3.354  -5.946  -2.530
  961    H    PHE 484           H        PHE 484   0.294  -4.390  -5.700
  962    HA   PHE 484           HA       PHE 484   0.100  -2.710  -3.484
  963    HB2  PHE 484           HB2      PHE 484   2.221  -3.664  -4.084
  964    HB3  PHE 484           HB1      PHE 484   2.182  -2.908  -5.671
  965    HD1  PHE 484           HD2      PHE 484   2.339  -2.113  -2.046
  966    HD2  PHE 484           HD1      PHE 484   3.226  -0.869  -6.020
  967    HE1  PHE 484           HE2      PHE 484   3.618  -0.208  -1.159
  968    HE2  PHE 484           HE1      PHE 484   4.511   1.033  -5.139
  969    HZ   PHE 484           HZ       PHE 484   4.706   1.368  -2.707
  970    H    LEU 485           H        LEU 485   0.243  -1.928  -6.934
  971    HA   LEU 485           HA       LEU 485   0.072   0.877  -6.602
  972    HB2  LEU 485           HB2      LEU 485  -0.686  -0.823  -8.974
  973    HB3  LEU 485           HB1      LEU 485  -0.489   0.918  -8.998
  974    HG   LEU 485           HG       LEU 485   1.685  -1.107  -8.472
  975   HD11  LEU 485          1HD1      LEU 485   2.597  -0.309 -10.588
  976   HD12  LEU 485          2HD1      LEU 485   1.199   0.743 -10.800
  977   HD13  LEU 485          3HD1      LEU 485   0.994  -1.009 -10.800
  978   HD21  LEU 485          3HD2      LEU 485   1.812   1.903  -8.595
  979   HD22  LEU 485          1HD2      LEU 485   3.199   0.818  -8.491
  980   HD23  LEU 485          2HD2      LEU 485   2.046   0.905  -7.161
  981    H    ARG 486           H        ARG 486  -2.400  -1.641  -6.931
  982    HA   ARG 486           HA       ARG 486  -4.657  -0.008  -7.213
  983    HB2  ARG 486           HB2      ARG 486  -4.217  -2.706  -6.018
  984    HB3  ARG 486           HB1      ARG 486  -5.717  -1.883  -5.637
  985    HG2  ARG 486           HG2      ARG 486  -6.256  -3.225  -7.445
  986    HG3  ARG 486           HG1      ARG 486  -5.997  -1.638  -8.173
  987    HD2  ARG 486           HD2      ARG 486  -4.211  -2.322  -9.327
  988    HD3  ARG 486           HD1      ARG 486  -3.587  -3.273  -7.981
  989    HE   ARG 486           HE       ARG 486  -4.991  -4.247 -10.225
  990   HH11  ARG 486          1HH1      ARG 486  -4.934  -4.711  -6.744
  991   HH12  ARG 486          2HH1      ARG 486  -5.239  -6.414  -6.838
  992   HH21  ARG 486          1HH2      ARG 486  -5.398  -6.478 -10.348
  993   HH22  ARG 486          2HH2      ARG 486  -5.504  -7.424  -8.896
  994    H    CYS 487           H        CYS 487  -2.991  -1.118  -4.287
  995    HA   CYS 487           HA       CYS 487  -4.572   0.198  -2.405
  996    HB2  CYS 487           HB2      CYS 487  -1.595  -0.298  -2.236
  997    HB3  CYS 487           HB1      CYS 487  -2.709  -0.096  -0.889
  998    HG   CYS 487           HG       CYS 487  -2.733  -2.728  -3.083
  999    H    LEU 488           H        LEU 488  -1.822   1.326  -4.326
 1000    HA   LEU 488           HA       LEU 488  -1.483   3.796  -3.015
 1001    HB2  LEU 488           HB2      LEU 488  -0.818   2.977  -5.836
 1002    HB3  LEU 488           HB1      LEU 488  -0.305   4.476  -5.096
 1003    HG   LEU 488           HG       LEU 488   0.543   1.685  -4.356
 1004   HD11  LEU 488          1HD1      LEU 488   2.757   2.500  -4.925
 1005   HD12  LEU 488          2HD1      LEU 488   2.104   4.100  -5.276
 1006   HD13  LEU 488          3HD1      LEU 488   1.657   2.721  -6.289
 1007   HD21  LEU 488          3HD2      LEU 488   1.922   2.756  -2.612
 1008   HD22  LEU 488          1HD2      LEU 488   0.191   2.907  -2.301
 1009   HD23  LEU 488          2HD2      LEU 488   1.097   4.284  -2.931
 1010    H    VAL 489           H        VAL 489  -3.299   2.946  -5.975
 1011    HA   VAL 489           HA       VAL 489  -4.047   5.608  -6.522
 1012    HB   VAL 489           HB       VAL 489  -5.874   4.619  -7.953
 1013   HG11  VAL 489          1HG1      VAL 489  -4.298   3.745  -9.620
 1014   HG12  VAL 489          2HG1      VAL 489  -3.050   3.653  -8.377
 1015   HG13  VAL 489          3HG1      VAL 489  -3.705   5.219  -8.855
 1016   HG21  VAL 489          3HG2      VAL 489  -5.768   2.214  -8.410
 1017   HG22  VAL 489          1HG2      VAL 489  -6.229   2.539  -6.739
 1018   HG23  VAL 489          2HG2      VAL 489  -4.584   2.023  -7.115
 1019    H    ILE 490           H        ILE 490  -5.757   3.041  -4.719
 1020    HA   ILE 490           HA       ILE 490  -8.056   4.678  -4.300
 1021    HB   ILE 490           HB       ILE 490  -8.730   3.062  -2.577
 1022   HG12  ILE 490          2HG1      ILE 490  -6.072   1.750  -3.178
 1023   HG13  ILE 490          1HG1      ILE 490  -6.531   2.512  -1.658
 1024   HG21  ILE 490          1HG2      ILE 490  -8.924   1.115  -4.073
 1025   HG22  ILE 490          2HG2      ILE 490  -7.736   1.850  -5.151
 1026   HG23  ILE 490          3HG2      ILE 490  -9.293   2.637  -4.884
 1027   HD11  ILE 490          3HD1      ILE 490  -7.762   0.047  -2.866
 1028   HD12  ILE 490          1HD1      ILE 490  -8.298   0.830  -1.377
 1029   HD13  ILE 490          2HD1      ILE 490  -6.684   0.119  -1.472
 1030    H    PHE 491           H        PHE 491  -5.017   4.295  -2.619
 1031    HA   PHE 491           HA       PHE 491  -5.714   5.741  -0.283
 1032    HB2  PHE 491           HB2      PHE 491  -3.721   4.407  -0.277
 1033    HB3  PHE 491           HB1      PHE 491  -3.074   5.260  -1.670
 1034    HD1  PHE 491           HD2      PHE 491  -4.117   5.839   1.858
 1035    HD2  PHE 491           HD1      PHE 491  -1.585   6.985  -1.361
 1036    HE1  PHE 491           HE2      PHE 491  -2.923   7.385   3.353
 1037    HE2  PHE 491           HE1      PHE 491  -0.386   8.533   0.129
 1038    HZ   PHE 491           HZ       PHE 491  -1.055   8.736   2.486
 1039    H    ASN 492           H        ASN 492  -4.415   6.683  -3.421
 1040    HA   ASN 492           HA       ASN 492  -4.123   9.451  -2.659
 1041    HB2  ASN 492           HB2      ASN 492  -2.717   8.132  -4.384
 1042    HB3  ASN 492           HB1      ASN 492  -4.055   8.424  -5.490
 1043   HD21  ASN 492          1HD2      ASN 492  -4.388  10.471  -6.302
 1044   HD22  ASN 492          2HD2      ASN 492  -3.249  11.755  -6.089
 1045    H    GLN 493           H        GLN 493  -6.661   7.502  -3.837
 1046    HA   GLN 493           HA       GLN 493  -8.152   9.817  -4.831
 1047    HB2  GLN 493           HB2      GLN 493  -8.685   6.854  -4.991
 1048    HB3  GLN 493           HB1      GLN 493  -9.870   8.063  -5.468
 1049    HG2  GLN 493           HG2      GLN 493  -8.300   8.942  -7.123
 1050    HG3  GLN 493           HG1      GLN 493  -7.128   7.711  -6.658
 1051   HE21  GLN 493          1HE2      GLN 493  -7.082   6.824  -8.714
 1052   HE22  GLN 493          2HE2      GLN 493  -8.396   5.889  -9.346
 1053    H    GLU 494           H        GLU 494  -7.526   9.052  -1.930
 1054    HA   GLU 494           HA       GLU 494  -8.508   9.613   0.044
 1055    HB2  GLU 494           HB2      GLU 494 -10.790  10.544  -1.712
 1056    HB3  GLU 494           HB1      GLU 494 -10.591  10.931  -0.008
 1057    HG2  GLU 494           HG2      GLU 494  -8.648  12.226  -0.445
 1058    HG3  GLU 494           HG1      GLU 494  -8.575  11.659  -2.113
 1059    H    VAL 495           H        VAL 495  -8.985   6.951  -1.251
 1060    HA   VAL 495           HA       VAL 495 -11.577   6.204  -0.136
 1061    HB   VAL 495           HB       VAL 495  -9.558   4.518  -1.628
 1062   HG11  VAL 495          1HG1      VAL 495 -11.375   2.872  -1.801
 1063   HG12  VAL 495          2HG1      VAL 495 -12.379   3.885  -0.763
 1064   HG13  VAL 495          3HG1      VAL 495 -10.902   3.159  -0.128
 1065   HG21  VAL 495          3HG2      VAL 495 -12.167   5.738  -2.539
 1066   HG22  VAL 495          1HG2      VAL 495 -11.160   4.645  -3.489
 1067   HG23  VAL 495          2HG2      VAL 495 -10.550   6.238  -3.042
 1068    H    ILE 496           H        ILE 496  -8.185   5.095   0.162
 1069    HA   ILE 496           HA       ILE 496  -8.879   4.146   2.866
 1070    HB   ILE 496           HB       ILE 496  -7.064   2.574   2.766
 1071   HG12  ILE 496          2HG1      ILE 496  -6.468   3.569  -0.029
 1072   HG13  ILE 496          1HG1      ILE 496  -5.535   4.015   1.397
 1073   HG21  ILE 496          1HG2      ILE 496  -7.822   1.101   0.975
 1074   HG22  ILE 496          2HG2      ILE 496  -8.669   2.449   0.217
 1075   HG23  ILE 496          3HG2      ILE 496  -9.186   1.860   1.798
 1076   HD11  ILE 496          3HD1      ILE 496  -4.928   1.675   1.729
 1077   HD12  ILE 496          1HD1      ILE 496  -4.442   2.255   0.137
 1078   HD13  ILE 496          2HD1      ILE 496  -5.867   1.230   0.304
 1079    H    SER 497           H        SER 497  -7.107   4.305   4.477
 1080    HA   SER 497           HA       SER 497  -5.651   6.826   4.076
 1081    HB2  SER 497           HB2      SER 497  -7.335   6.617   5.969
 1082    HB3  SER 497           HB1      SER 497  -6.238   5.454   6.710
 1083    HG   SER 497           HG       SER 497  -6.165   8.067   6.916
 1084    H    ARG 498           H        ARG 498  -3.708   6.725   5.878
 1085    HA   ARG 498           HA       ARG 498  -1.657   5.294   4.656
 1086    HB2  ARG 498           HB2      ARG 498  -1.469   7.267   6.233
 1087    HB3  ARG 498           HB1      ARG 498  -1.692   6.139   7.550
 1088    HG2  ARG 498           HG2      ARG 498   0.332   4.914   6.786
 1089    HG3  ARG 498           HG1      ARG 498   0.575   6.177   5.574
 1090    HD2  ARG 498           HD2      ARG 498   0.401   6.706   8.535
 1091    HD3  ARG 498           HD1      ARG 498   1.915   6.463   7.668
 1092    HE   ARG 498           HE       ARG 498   0.803   8.452   6.269
 1093   HH11  ARG 498          1HH1      ARG 498   1.178   8.013   9.723
 1094   HH12  ARG 498          2HH1      ARG 498   1.413   9.707  10.038
 1095   HH21  ARG 498          1HH2      ARG 498   1.110  10.701   6.699
 1096   HH22  ARG 498          2HH2      ARG 498   1.357  11.222   8.341
 1097    H    ALA 499           H        ALA 499  -3.317   4.655   7.695
 1098    HA   ALA 499           HA       ALA 499  -2.056   2.356   8.512
 1099    HB1  ALA 499           HB1      ALA 499  -5.003   2.915   8.791
 1100    HB2  ALA 499           HB2      ALA 499  -3.739   3.586   9.821
 1101    HB3  ALA 499           HB3      ALA 499  -4.033   1.846   9.804
 1102    H    GLU 500           H        GLU 500  -4.955   2.499   6.428
 1103    HA   GLU 500           HA       GLU 500  -5.185  -0.262   6.017
 1104    HB2  GLU 500           HB2      GLU 500  -6.026   2.056   4.277
 1105    HB3  GLU 500           HB1      GLU 500  -6.418   0.384   3.905
 1106    HG2  GLU 500           HG2      GLU 500  -8.312   1.314   4.952
 1107    HG3  GLU 500           HG1      GLU 500  -7.551   0.253   6.136
 1108    H    LEU 501           H        LEU 501  -3.471   2.206   4.153
 1109    HA   LEU 501           HA       LEU 501  -2.590   0.633   2.029
 1110    HB2  LEU 501           HB2      LEU 501  -2.436   3.066   2.075
 1111    HB3  LEU 501           HB1      LEU 501  -1.259   2.988   3.369
 1112    HG   LEU 501           HG       LEU 501   0.327   1.875   1.830
 1113   HD11  LEU 501          1HD1      LEU 501  -1.757   2.462  -0.268
 1114   HD12  LEU 501          2HD1      LEU 501  -1.324   0.860   0.328
 1115   HD13  LEU 501          3HD1      LEU 501  -0.138   1.824  -0.553
 1116   HD21  LEU 501          3HD2      LEU 501  -0.772   4.503   0.850
 1117   HD22  LEU 501          1HD2      LEU 501   0.827   3.853   0.489
 1118   HD23  LEU 501          2HD2      LEU 501   0.406   4.287   2.146
 1119    H    VAL 502           H        VAL 502  -1.053   1.285   5.156
 1120    HA   VAL 502           HA       VAL 502   1.309  -0.187   4.685
 1121    HB   VAL 502           HB       VAL 502  -0.030   0.396   7.337
 1122   HG11  VAL 502          1HG1      VAL 502   2.817  -0.338   6.671
 1123   HG12  VAL 502          2HG1      VAL 502   1.664  -1.294   7.604
 1124   HG13  VAL 502          3HG1      VAL 502   2.266   0.235   8.246
 1125   HG21  VAL 502          3HG2      VAL 502   1.432   2.346   7.449
 1126   HG22  VAL 502          1HG2      VAL 502   0.359   2.434   6.052
 1127   HG23  VAL 502          2HG2      VAL 502   2.050   1.982   5.837
 1128    H    GLN 503           H        GLN 503  -1.836  -1.084   5.979
 1129    HA   GLN 503           HA       GLN 503  -1.058  -3.667   6.896
 1130    HB2  GLN 503           HB2      GLN 503  -3.774  -2.498   6.291
 1131    HB3  GLN 503           HB1      GLN 503  -3.524  -4.078   7.020
 1132    HG2  GLN 503           HG2      GLN 503  -2.439  -3.049   8.931
 1133    HG3  GLN 503           HG1      GLN 503  -2.622  -1.459   8.193
 1134   HE21  GLN 503          1HE2      GLN 503  -4.672  -0.530   8.068
 1135   HE22  GLN 503          2HE2      GLN 503  -5.982  -1.078   9.052
 1136    H    LEU 504           H        LEU 504  -2.560  -2.492   3.911
 1137    HA   LEU 504           HA       LEU 504  -3.314  -5.013   2.917
 1138    HB2  LEU 504           HB2      LEU 504  -2.713  -2.455   1.446
 1139    HB3  LEU 504           HB1      LEU 504  -3.422  -3.877   0.707
 1140    HG   LEU 504           HG       LEU 504  -4.647  -2.226   2.909
 1141   HD11  LEU 504          1HD1      LEU 504  -4.717  -1.133   0.749
 1142   HD12  LEU 504          2HD1      LEU 504  -6.326  -1.693   1.206
 1143   HD13  LEU 504          3HD1      LEU 504  -5.386  -2.589   0.013
 1144   HD21  LEU 504          3HD2      LEU 504  -5.256  -4.508   3.260
 1145   HD22  LEU 504          1HD2      LEU 504  -5.576  -4.737   1.536
 1146   HD23  LEU 504          2HD2      LEU 504  -6.623  -3.695   2.496
 1147    H    VAL 505           H        VAL 505  -0.362  -3.147   2.479
 1148    HA   VAL 505           HA       VAL 505   0.677  -5.102   0.609
 1149    HB   VAL 505           HB       VAL 505   1.049  -2.600   0.434
 1150   HG11  VAL 505          1HG1      VAL 505   2.960  -1.673   1.674
 1151   HG12  VAL 505          2HG1      VAL 505   3.034  -3.154   2.628
 1152   HG13  VAL 505          3HG1      VAL 505   1.614  -2.111   2.724
 1153   HG21  VAL 505          3HG2      VAL 505   3.355  -2.848  -0.415
 1154   HG22  VAL 505          1HG2      VAL 505   2.277  -4.135  -0.954
 1155   HG23  VAL 505          2HG2      VAL 505   3.432  -4.439   0.344
 1156    H    SER 506           H        SER 506   0.319  -5.226   3.811
 1157    HA   SER 506           HA       SER 506   2.839  -5.790   4.870
 1158    HB2  SER 506           HB2      SER 506   0.814  -5.409   6.239
 1159    HB3  SER 506           HB1      SER 506   0.199  -6.984   5.738
 1160    HG   SER 506           HG       SER 506   1.806  -7.986   6.854
 1161    HA   PRO 507           HA       PRO 507   2.010 -10.538   3.824
 1162    HB2  PRO 507           HB2      PRO 507   0.504 -10.758   1.493
 1163    HB3  PRO 507           HB1      PRO 507  -0.062 -11.125   3.121
 1164    HG2  PRO 507           HG2      PRO 507  -0.456  -8.667   1.481
 1165    HG3  PRO 507           HG1      PRO 507  -1.575  -9.458   2.606
 1166    HD2  PRO 507           HD2      PRO 507  -0.269  -7.218   3.273
 1167    HD3  PRO 507           HD1      PRO 507  -0.578  -8.498   4.465
 1168    H    PHE 508           H        PHE 508   2.428  -7.851   1.715
 1169    HA   PHE 508           HA       PHE 508   3.854  -9.393  -0.296
 1170    HB2  PHE 508           HB2      PHE 508   3.160  -6.454  -0.131
 1171    HB3  PHE 508           HB1      PHE 508   4.027  -7.192  -1.472
 1172    HD1  PHE 508           HD1      PHE 508   0.825  -7.462   0.421
 1173    HD2  PHE 508           HD2      PHE 508   2.847  -8.005  -3.285
 1174    HE1  PHE 508           HE1      PHE 508  -1.314  -8.018  -0.659
 1175    HE2  PHE 508           HE2      PHE 508   0.708  -8.561  -4.369
 1176    HZ   PHE 508           HZ       PHE 508  -1.373  -8.568  -3.056
 1177    H    LEU 509           H        LEU 509   4.513  -6.664   1.905
 1178    HA   LEU 509           HA       LEU 509   7.363  -6.899   1.271
 1179    HB2  LEU 509           HB2      LEU 509   5.941  -4.776   2.876
 1180    HB3  LEU 509           HB1      LEU 509   7.609  -4.732   2.338
 1181    HG   LEU 509           HG       LEU 509   5.155  -4.605   0.590
 1182   HD11  LEU 509          1HD1      LEU 509   7.282  -2.562   1.199
 1183   HD12  LEU 509          2HD1      LEU 509   5.628  -2.551   1.808
 1184   HD13  LEU 509          3HD1      LEU 509   5.932  -2.358   0.082
 1185   HD21  LEU 509          3HD2      LEU 509   6.937  -5.860  -0.513
 1186   HD22  LEU 509          1HD2      LEU 509   8.064  -4.542  -0.197
 1187   HD23  LEU 509          2HD2      LEU 509   6.689  -4.288  -1.273
 1188    H    GLY 510           H        GLY 510   5.186  -7.909   3.629
 1189    HA2  GLY 510           HA2      GLY 510   6.712  -7.556   5.992
 1190    HA3  GLY 510           HA1      GLY 510   5.383  -8.685   5.780
 1191    H    LYS 511           H        LYS 511   7.083  -9.711   3.395
 1192    HA   LYS 511           HA       LYS 511   8.424 -11.792   4.847
 1193    HB2  LYS 511           HB2      LYS 511   8.650 -11.180   1.896
 1194    HB3  LYS 511           HB1      LYS 511   8.958 -12.714   2.695
 1195    HG2  LYS 511           HG2      LYS 511   6.612 -12.969   3.203
 1196    HG3  LYS 511           HG1      LYS 511   6.265 -11.381   2.513
 1197    HD2  LYS 511           HD2      LYS 511   7.226 -12.246   0.347
 1198    HD3  LYS 511           HD1      LYS 511   7.230 -13.850   1.085
 1199    HE2  LYS 511           HE2      LYS 511   4.810 -12.090   0.744
 1200    HE3  LYS 511           HE1      LYS 511   5.239 -13.439  -0.305
 1201    HZ1  LYS 511           HZ1      LYS 511   3.588 -14.112   1.298
 1202    HZ2  LYS 511           HZ2      LYS 511   4.573 -13.618   2.588
 1203    HZ3  LYS 511           HZ3      LYS 511   5.041 -14.923   1.613
 1204    H    PHE 512           H        PHE 512   9.190  -8.672   3.840
 1205    HA   PHE 512           HA       PHE 512  12.082  -9.201   4.060
 1206    HB2  PHE 512           HB2      PHE 512  10.800  -7.066   2.343
 1207    HB3  PHE 512           HB1      PHE 512  12.508  -7.488   2.411
 1208    HD1  PHE 512           HD2      PHE 512  13.312  -9.566   1.401
 1209    HD2  PHE 512           HD1      PHE 512   9.247  -8.348   1.052
 1210    HE1  PHE 512           HE2      PHE 512  12.990 -11.166  -0.440
 1211    HE2  PHE 512           HE1      PHE 512   8.920  -9.936  -0.788
 1212    HZ   PHE 512           HZ       PHE 512  10.793 -11.355  -1.537
 1213    HA   PRO 513           HA       PRO 513  11.034  -6.686   7.722
 1214    HB2  PRO 513           HB2      PRO 513  13.988  -7.033   7.966
 1215    HB3  PRO 513           HB1      PRO 513  12.729  -7.205   9.195
 1216    HG2  PRO 513           HG2      PRO 513  13.833  -9.354   8.104
 1217    HG3  PRO 513           HG1      PRO 513  12.093  -9.306   8.437
 1218    HD2  PRO 513           HD2      PRO 513  13.534  -9.055   5.837
 1219    HD3  PRO 513           HD1      PRO 513  11.963  -9.803   6.192
 1220    H    GLU 514           H        GLU 514  13.994  -6.111   5.801
 1221    HA   GLU 514           HA       GLU 514  14.287  -3.408   6.610
 1222    HB2  GLU 514           HB2      GLU 514  16.097  -4.861   5.673
 1223    HB3  GLU 514           HB1      GLU 514  15.341  -4.716   4.094
 1224    HG2  GLU 514           HG2      GLU 514  17.115  -3.175   4.125
 1225    HG3  GLU 514           HG1      GLU 514  15.639  -2.228   4.302
 1226    H    LEU 515           H        LEU 515  12.730  -4.928   3.840
 1227    HA   LEU 515           HA       LEU 515  12.339  -2.537   2.361
 1228    HB2  LEU 515           HB2      LEU 515  12.365  -4.941   1.519
 1229    HB3  LEU 515           HB1      LEU 515  10.728  -5.071   2.133
 1230    HG   LEU 515           HG       LEU 515  10.030  -3.256   0.611
 1231   HD11  LEU 515          1HD1      LEU 515  11.542  -2.511  -1.154
 1232   HD12  LEU 515          2HD1      LEU 515  12.848  -3.465  -0.450
 1233   HD13  LEU 515          3HD1      LEU 515  12.176  -2.096   0.437
 1234   HD21  LEU 515          3HD2      LEU 515  10.194  -4.561  -1.460
 1235   HD22  LEU 515          1HD2      LEU 515   9.791  -5.576  -0.076
 1236   HD23  LEU 515          2HD2      LEU 515  11.434  -5.573  -0.718
 1237    H    PHE 516           H        PHE 516  10.251  -4.474   4.475
 1238    HA   PHE 516           HA       PHE 516   7.975  -2.797   4.218
 1239    HB2  PHE 516           HB2      PHE 516   7.984  -5.189   5.024
 1240    HB3  PHE 516           HB1      PHE 516   8.646  -4.607   6.546
 1241    HD1  PHE 516           HD1      PHE 516   5.873  -3.517   4.290
 1242    HD2  PHE 516           HD2      PHE 516   7.092  -4.599   8.221
 1243    HE1  PHE 516           HE1      PHE 516   3.588  -3.102   5.107
 1244    HE2  PHE 516           HE2      PHE 516   4.811  -4.183   9.047
 1245    HZ   PHE 516           HZ       PHE 516   3.057  -3.433   7.487
 1246    H    ASN 517           H        ASN 517  10.762  -2.823   6.341
 1247    HA   ASN 517           HA       ASN 517   9.894  -0.910   8.223
 1248    HB2  ASN 517           HB2      ASN 517  11.978  -2.430   8.289
 1249    HB3  ASN 517           HB1      ASN 517  12.746  -1.209   7.285
 1250   HD21  ASN 517          1HD2      ASN 517  13.491  -2.078   9.908
 1251   HD22  ASN 517          2HD2      ASN 517  13.403  -0.696  10.953
 1252    H    TRP 518           H        TRP 518  11.615  -0.633   5.144
 1253    HA   TRP 518           HA       TRP 518  12.038   2.124   5.077
 1254    HB2  TRP 518           HB2      TRP 518  12.915   0.394   3.449
 1255    HB3  TRP 518           HB1      TRP 518  11.326   0.382   2.702
 1256    HD1  TRP 518           HD1      TRP 518  14.606   2.086   2.537
 1257    HE1  TRP 518           HE1      TRP 518  14.515   4.067   0.895
 1258    HE3  TRP 518           HE3      TRP 518   9.532   2.436   1.924
 1259    HZ2  TRP 518           HZ2      TRP 518  12.573   5.585  -0.451
 1260    HZ3  TRP 518           HZ3      TRP 518   8.652   4.188   0.440
 1261    HH2  TRP 518           HH2      TRP 518  10.141   5.728  -0.721
 1262    H    PHE 519           H        PHE 519   9.283   0.212   3.896
 1263    HA   PHE 519           HA       PHE 519   7.773   2.311   2.864
 1264    HB2  PHE 519           HB2      PHE 519   7.328  -0.065   2.419
 1265    HB3  PHE 519           HB1      PHE 519   6.809  -0.281   4.087
 1266    HD1  PHE 519           HD1      PHE 519   6.069   1.889   1.151
 1267    HD2  PHE 519           HD2      PHE 519   4.572  -0.229   4.521
 1268    HE1  PHE 519           HE1      PHE 519   3.781   2.486   0.503
 1269    HE2  PHE 519           HE2      PHE 519   2.279   0.369   3.883
 1270    HZ   PHE 519           HZ       PHE 519   1.872   1.729   1.869
 1271    H    LYS 520           H        LYS 520   7.700   0.841   6.093
 1272    HA   LYS 520           HA       LYS 520   5.642   2.457   7.141
 1273    HB2  LYS 520           HB2      LYS 520   7.897   0.961   8.478
 1274    HB3  LYS 520           HB1      LYS 520   6.618   1.773   9.370
 1275    HG2  LYS 520           HG2      LYS 520   4.965   0.319   8.509
 1276    HG3  LYS 520           HG1      LYS 520   6.074  -0.343   7.307
 1277    HD2  LYS 520           HD2      LYS 520   5.725  -1.885   9.183
 1278    HD3  LYS 520           HD1      LYS 520   7.405  -1.365   9.066
 1279    HE2  LYS 520           HE2      LYS 520   7.020   0.263  10.852
 1280    HE3  LYS 520           HE1      LYS 520   5.336  -0.254  10.959
 1281    HZ1  LYS 520           HZ1      LYS 520   7.639  -2.079  11.389
 1282    HZ2  LYS 520           HZ2      LYS 520   6.003  -2.389  11.706
 1283    HZ3  LYS 520           HZ3      LYS 520   6.847  -1.258  12.648
 1284    H    ASN 521           H        ASN 521   9.113   2.887   6.916
 1285    HA   ASN 521           HA       ASN 521   9.254   5.129   8.671
 1286    HB2  ASN 521           HB2      ASN 521  11.188   3.644   8.153
 1287    HB3  ASN 521           HB1      ASN 521  11.214   4.297   6.517
 1288   HD21  ASN 521          1HD2      ASN 521  11.835   4.921   9.868
 1289   HD22  ASN 521          2HD2      ASN 521  12.726   6.389   9.644
 1290    H    PHE 522           H        PHE 522   8.876   4.735   5.188
 1291    HA   PHE 522           HA       PHE 522   9.326   7.444   4.488
 1292    HB2  PHE 522           HB2      PHE 522   9.455   5.600   2.860
 1293    HB3  PHE 522           HB1      PHE 522   7.728   5.320   3.036
 1294    HD1  PHE 522           HD1      PHE 522   9.949   8.248   2.364
 1295    HD2  PHE 522           HD2      PHE 522   6.461   6.066   1.268
 1296    HE1  PHE 522           HE1      PHE 522   9.523   9.844   0.548
 1297    HE2  PHE 522           HE2      PHE 522   6.027   7.671  -0.543
 1298    HZ   PHE 522           HZ       PHE 522   7.558   9.560  -0.908
 1299    H    LEU 523           H        LEU 523   6.520   5.647   5.498
 1300    HA   LEU 523           HA       LEU 523   4.683   7.804   4.916
 1301    HB2  LEU 523           HB2      LEU 523   4.442   5.047   6.046
 1302    HB3  LEU 523           HB1      LEU 523   3.147   6.195   6.326
 1303    HG   LEU 523           HG       LEU 523   2.738   6.398   3.950
 1304   HD11  LEU 523          1HD1      LEU 523   5.039   4.494   3.574
 1305   HD12  LEU 523          2HD1      LEU 523   5.036   6.207   3.153
 1306   HD13  LEU 523          3HD1      LEU 523   3.962   5.091   2.310
 1307   HD21  LEU 523          3HD2      LEU 523   3.061   3.510   4.737
 1308   HD22  LEU 523          1HD2      LEU 523   2.019   4.132   3.457
 1309   HD23  LEU 523          2HD2      LEU 523   1.686   4.539   5.140
 1310    H    GLY 524           H        GLY 524   6.797   7.034   7.442
 1311    HA2  GLY 524           HA2      GLY 524   7.084   7.960   9.540
 1312    HA3  GLY 524           HA1      GLY 524   5.781   9.085   9.159
 1313    H    TYR 525           H        TYR 525   5.608   5.589   9.088
 1314    HA   TYR 525           HA       TYR 525   3.213   5.617  10.679
 1315    HB2  TYR 525           HB2      TYR 525   3.432   4.078   8.784
 1316    HB3  TYR 525           HB1      TYR 525   4.830   3.319   9.535
 1317    HD1  TYR 525           HD2      TYR 525   1.171   3.732   9.731
 1318    HD2  TYR 525           HD1      TYR 525   4.568   1.669  11.248
 1319    HE1  TYR 525           HE2      TYR 525  -0.313   2.102  10.827
 1320    HE2  TYR 525           HE1      TYR 525   3.097   0.031  12.337
 1321    HH   TYR 525           HH       TYR 525  -0.072  -0.382  11.581
 1322    H    LYS 526           H        LYS 526   3.271   5.746  12.802
 1323    HA   LYS 526           HA       LYS 526   5.543   4.620  14.275
 1324    HB2  LYS 526           HB2      LYS 526   3.336   6.488  15.155
 1325    HB3  LYS 526           HB1      LYS 526   4.634   5.913  16.192
 1326    HG2  LYS 526           HG2      LYS 526   6.272   7.053  14.848
 1327    HG3  LYS 526           HG1      LYS 526   5.032   7.533  13.687
 1328    HD2  LYS 526           HD2      LYS 526   3.912   8.840  15.430
 1329    HD3  LYS 526           HD1      LYS 526   5.160   8.366  16.585
 1330    HE2  LYS 526           HE2      LYS 526   6.835   9.549  15.375
 1331    HE3  LYS 526           HE1      LYS 526   5.739   9.826  14.019
 1332    HZ1  LYS 526           HZ1      LYS 526   5.372  10.929  16.753
 1333    HZ2  LYS 526           HZ2      LYS 526   4.399  11.245  15.401
 1334    HZ3  LYS 526           HZ3      LYS 526   6.003  11.788  15.436
 1335    H    GLU 527           H        GLU 527   5.230   3.168  15.977
 1336    HA   GLU 527           HA       GLU 527   2.677   1.717  15.803
 1337    HB2  GLU 527           HB2      GLU 527   5.418   0.727  16.607
 1338    HB3  GLU 527           HB1      GLU 527   3.947  -0.236  16.690
 1339    HG2  GLU 527           HG2      GLU 527   3.655   0.029  14.274
 1340    HG3  GLU 527           HG1      GLU 527   5.157   0.948  14.201
 1341    H    SER 528           H        SER 528   1.836   3.333  17.254
 1342    HA   SER 528           HA       SER 528   1.867   2.329  19.941
 1343    HB2  SER 528           HB2      SER 528   3.730   3.970  20.015
 1344    HB3  SER 528           HB1      SER 528   2.635   5.222  19.435
 1345    HG   SER 528           HG       SER 528   1.625   5.265  21.340
  Start of MODEL    6
    1    H1   SER 127           HT1      SER 127  17.152 -43.728  13.379
    2    H2   SER 127           HT2      SER 127  15.880 -44.779  12.992
    3    H3   SER 127           HT3      SER 127  17.150 -44.549  11.895
    4    HA   SER 127           HA       SER 127  17.409 -45.756  14.580
    5    HB2  SER 127           HB2      SER 127  16.113 -47.138  12.950
    6    HB3  SER 127           HB1      SER 127  17.503 -47.103  11.868
    7    HG   SER 127           HG       SER 127  18.217 -48.744  12.944
    8    H    ASN 128           H        ASN 128  18.904 -44.747  11.541
    9    HA   ASN 128           HA       ASN 128  21.530 -45.632  12.377
   10    HB2  ASN 128           HB2      ASN 128  20.489 -44.180   9.956
   11    HB3  ASN 128           HB1      ASN 128  22.216 -44.314  10.262
   12   HD21  ASN 128          1HD2      ASN 128  20.536 -45.380   8.110
   13   HD22  ASN 128          2HD2      ASN 128  20.823 -47.093   8.101
   14    H    ALA 129           H        ALA 129  23.357 -44.131  12.467
   15    HA   ALA 129           HA       ALA 129  22.616 -41.788  14.035
   16    HB1  ALA 129           HB1      ALA 129  25.332 -42.992  13.517
   17    HB2  ALA 129           HB2      ALA 129  24.309 -43.326  14.915
   18    HB3  ALA 129           HB3      ALA 129  24.963 -41.708  14.668
   19    H    GLY 130           H        GLY 130  22.483 -39.844  13.160
   20    HA2  GLY 130           HA2      GLY 130  24.337 -39.137  10.990
   21    HA3  GLY 130           HA1      GLY 130  22.612 -38.888  10.750
   22    H    SER 131           H        SER 131  24.043 -36.689  10.492
   23    HA   SER 131           HA       SER 131  23.396 -35.229  12.956
   24    HB2  SER 131           HB2      SER 131  25.905 -35.669  12.702
   25    HB3  SER 131           HB1      SER 131  25.850 -34.579  11.317
   26    HG   SER 131           HG       SER 131  26.404 -33.428  13.186
   27    H    ASP 132           H        ASP 132  21.678 -34.139  12.313
   28    HA   ASP 132           HA       ASP 132  21.968 -32.097  10.295
   29    HB2  ASP 132           HB2      ASP 132  20.094 -32.750   8.933
   30    HB3  ASP 132           HB1      ASP 132  21.185 -34.128   9.022
   31    H    ASP 133           H        ASP 133  20.142 -30.562  10.389
   32    HA   ASP 133           HA       ASP 133  18.479 -30.880  12.784
   33    HB2  ASP 133           HB2      ASP 133  20.422 -29.490  13.411
   34    HB3  ASP 133           HB1      ASP 133  20.004 -28.350  12.135
   35    H    ASP 134           H        ASP 134  19.086 -28.975   9.861
   36    HA   ASP 134           HA       ASP 134  16.429 -27.913   9.777
   37    HB2  ASP 134           HB2      ASP 134  17.037 -26.983   7.643
   38    HB3  ASP 134           HB1      ASP 134  18.408 -26.792   8.729
   39    H    GLY 135           H        GLY 135  14.890 -28.348   8.063
   40    HA2  GLY 135           HA2      GLY 135  14.881 -30.391   6.253
   41    HA3  GLY 135           HA1      GLY 135  14.486 -31.176   7.777
   42    H    GLY 136           H        GLY 136  12.860 -30.824   5.369
   43    HA2  GLY 136           HA2      GLY 136  10.628 -30.475   4.932
   44    HA3  GLY 136           HA1      GLY 136  10.419 -30.101   6.637
   45    H    ASP 137           H        ASP 137  12.741 -28.327   4.789
   46    HA   ASP 137           HA       ASP 137  11.149 -25.911   5.148
   47    HB2  ASP 137           HB2      ASP 137  14.017 -26.306   4.268
   48    HB3  ASP 137           HB1      ASP 137  13.232 -24.738   4.399
   49    H    SER 138           H        SER 138  10.572 -24.539   3.455
   50    HA   SER 138           HA       SER 138  10.230 -25.768   0.886
   51    HB2  SER 138           HB2      SER 138   8.577 -24.167   1.844
   52    HB3  SER 138           HB1      SER 138   9.775 -22.881   1.691
   53    HG   SER 138           HG       SER 138   9.477 -22.822  -0.413
   54    HA   PRO 139           HA       PRO 139  14.362 -24.527  -0.314
   55    HB2  PRO 139           HB2      PRO 139  13.843 -25.957  -2.794
   56    HB3  PRO 139           HB1      PRO 139  14.972 -26.356  -1.498
   57    HG2  PRO 139           HG2      PRO 139  12.751 -27.821  -2.019
   58    HG3  PRO 139           HG1      PRO 139  13.444 -27.666  -0.394
   59    HD2  PRO 139           HD2      PRO 139  11.098 -26.243  -1.598
   60    HD3  PRO 139           HD1      PRO 139  11.287 -26.925   0.033
   61    H    VAL 140           H        VAL 140  11.413 -23.922  -1.989
   62    HA   VAL 140           HA       VAL 140  12.742 -21.844  -3.576
   63    HB   VAL 140           HB       VAL 140  10.961 -22.186  -5.284
   64   HG11  VAL 140          1HG1      VAL 140  13.206 -23.106  -5.593
   65   HG12  VAL 140          2HG1      VAL 140  11.982 -24.158  -6.303
   66   HG13  VAL 140          3HG1      VAL 140  12.716 -24.579  -4.755
   67   HG21  VAL 140          3HG2      VAL 140  10.379 -24.666  -3.678
   68   HG22  VAL 140          1HG2      VAL 140   9.747 -24.331  -5.289
   69   HG23  VAL 140          2HG2      VAL 140   9.294 -23.300  -3.933
   70    H    GLN 141           H        GLN 141  11.286 -20.085  -4.225
   71    HA   GLN 141           HA       GLN 141   8.751 -19.734  -2.969
   72    HB2  GLN 141           HB2      GLN 141  10.239 -19.233  -1.038
   73    HB3  GLN 141           HB1      GLN 141  11.009 -17.969  -1.986
   74    HG2  GLN 141           HG2      GLN 141   9.033 -16.666  -2.019
   75    HG3  GLN 141           HG1      GLN 141   8.066 -17.992  -1.377
   76   HE21  GLN 141          1HE2      GLN 141   8.205 -18.506   0.791
   77   HE22  GLN 141          2HE2      GLN 141   8.878 -17.423   1.959
   78    H    ASP 142           H        ASP 142   7.986 -19.260  -4.948
   79    HA   ASP 142           HA       ASP 142   9.227 -17.062  -6.457
   80    HB2  ASP 142           HB2      ASP 142   8.829 -19.271  -7.598
   81    HB3  ASP 142           HB1      ASP 142   7.103 -19.021  -7.363
   82    H    ILE 143           H        ILE 143   6.316 -18.205  -4.945
   83    HA   ILE 143           HA       ILE 143   4.516 -17.159  -4.060
   84    HB   ILE 143           HB       ILE 143   5.681 -14.522  -4.934
   85   HG12  ILE 143          2HG1      ILE 143   5.969 -15.843  -2.236
   86   HG13  ILE 143          1HG1      ILE 143   7.220 -15.901  -3.475
   87   HG21  ILE 143          1HG2      ILE 143   3.689 -15.219  -2.781
   88   HG22  ILE 143          2HG2      ILE 143   3.312 -14.468  -4.332
   89   HG23  ILE 143          3HG2      ILE 143   4.292 -13.602  -3.148
   90   HD11  ILE 143          3HD1      ILE 143   7.357 -13.453  -3.428
   91   HD12  ILE 143          1HD1      ILE 143   7.710 -14.175  -1.856
   92   HD13  ILE 143          2HD1      ILE 143   6.140 -13.425  -2.151
   93    H    ASP 144           H        ASP 144   2.541 -16.878  -4.793
   94    HA   ASP 144           HA       ASP 144   2.159 -16.407  -7.648
   95    HB2  ASP 144           HB2      ASP 144   0.181 -17.255  -5.511
   96    HB3  ASP 144           HB1      ASP 144  -0.146 -17.170  -7.238
   97    H    THR 145           H        THR 145   0.431 -15.488  -4.707
   98    HA   THR 145           HA       THR 145   0.522 -12.677  -5.356
   99    HB   THR 145           HB       THR 145  -2.159 -14.092  -5.235
  100    HG1  THR 145           HG1      THR 145  -2.180 -13.039  -7.485
  101   HG21  THR 145          3HG2      THR 145  -3.100 -11.895  -5.752
  102   HG22  THR 145          1HG2      THR 145  -1.486 -11.187  -5.729
  103   HG23  THR 145          2HG2      THR 145  -2.181 -11.844  -4.248
  104    HA   PRO 146           HA       PRO 146   0.676 -13.017  -0.840
  105    HB2  PRO 146           HB2      PRO 146   0.728 -10.064  -1.162
  106    HB3  PRO 146           HB1      PRO 146   1.808 -11.115  -0.240
  107    HG2  PRO 146           HG2      PRO 146   2.604 -10.018  -2.534
  108    HG3  PRO 146           HG1      PRO 146   3.076 -11.671  -2.094
  109    HD2  PRO 146           HD2      PRO 146   0.989 -10.744  -4.029
  110    HD3  PRO 146           HD1      PRO 146   2.114 -12.113  -4.152
  111    H    GLU 147           H        GLU 147  -0.995 -13.023   0.528
  112    HA   GLU 147           HA       GLU 147  -3.569 -12.308  -0.459
  113    HB2  GLU 147           HB2      GLU 147  -4.331 -13.075   1.824
  114    HB3  GLU 147           HB1      GLU 147  -3.453 -14.261   0.869
  115    HG2  GLU 147           HG2      GLU 147  -1.447 -13.875   2.151
  116    HG3  GLU 147           HG1      GLU 147  -2.240 -12.582   3.053
  117    H    VAL 148           H        VAL 148  -4.147 -10.234  -0.581
  118    HA   VAL 148           HA       VAL 148  -3.417  -8.277   1.376
  119    HB   VAL 148           HB       VAL 148  -5.877  -7.678  -0.047
  120   HG11  VAL 148          1HG1      VAL 148  -4.490  -6.015   1.057
  121   HG12  VAL 148          2HG1      VAL 148  -4.713  -5.655  -0.654
  122   HG13  VAL 148          3HG1      VAL 148  -3.192  -6.343  -0.092
  123   HG21  VAL 148          3HG2      VAL 148  -5.121  -9.105  -1.773
  124   HG22  VAL 148          1HG2      VAL 148  -3.494  -8.424  -1.701
  125   HG23  VAL 148          2HG2      VAL 148  -4.839  -7.441  -2.283
  126    H    ASP 149           H        ASP 149  -4.149  -8.498   3.407
  127    HA   ASP 149           HA       ASP 149  -6.574  -9.863   4.022
  128    HB2  ASP 149           HB2      ASP 149  -4.510  -9.621   5.518
  129    HB3  ASP 149           HB1      ASP 149  -5.099  -8.002   5.878
  130    H    LEU 150           H        LEU 150  -8.190  -8.831   2.885
  131    HA   LEU 150           HA       LEU 150  -8.606  -5.975   3.267
  132    HB2  LEU 150           HB2      LEU 150 -10.084  -8.019   1.601
  133    HB3  LEU 150           HB1      LEU 150 -10.449  -6.306   1.627
  134    HG   LEU 150           HG       LEU 150  -7.823  -7.487   0.695
  135   HD11  LEU 150          1HD1      LEU 150  -8.583  -6.899  -1.547
  136   HD12  LEU 150          2HD1      LEU 150 -10.144  -6.400  -0.894
  137   HD13  LEU 150          3HD1      LEU 150  -9.647  -8.090  -0.801
  138   HD21  LEU 150          3HD2      LEU 150  -8.919  -4.680   0.507
  139   HD22  LEU 150          1HD2      LEU 150  -7.384  -5.248  -0.148
  140   HD23  LEU 150          2HD2      LEU 150  -7.637  -5.213   1.597
  141    H    TYR 151           H        TYR 151  -9.396  -8.797   4.798
  142    HA   TYR 151           HA       TYR 151 -12.101  -8.116   5.563
  143    HB2  TYR 151           HB2      TYR 151 -11.195 -10.487   5.254
  144    HB3  TYR 151           HB1      TYR 151 -10.340 -10.254   6.773
  145    HD1  TYR 151           HD2      TYR 151 -13.708 -10.419   5.243
  146    HD2  TYR 151           HD1      TYR 151 -11.450 -10.531   8.849
  147    HE1  TYR 151           HE2      TYR 151 -15.705 -11.166   6.464
  148    HE2  TYR 151           HE1      TYR 151 -13.442 -11.282  10.077
  149    HH   TYR 151           HH       TYR 151 -16.281 -12.351   8.504
  150    H    GLN 152           H        GLN 152  -8.887  -7.608   6.697
  151    HA   GLN 152           HA       GLN 152  -9.528  -7.070   9.427
  152    HB2  GLN 152           HB2      GLN 152  -7.264  -6.358   9.654
  153    HB3  GLN 152           HB1      GLN 152  -7.257  -7.716   8.541
  154    HG2  GLN 152           HG2      GLN 152  -7.161  -6.137   6.659
  155    HG3  GLN 152           HG1      GLN 152  -7.022  -4.818   7.822
  156   HE21  GLN 152          1HE2      GLN 152  -5.207  -5.855   5.745
  157   HE22  GLN 152          2HE2      GLN 152  -3.702  -6.141   6.552
  158    H    LEU 153           H        LEU 153  -9.853  -5.315   6.528
  159    HA   LEU 153           HA       LEU 153  -9.495  -2.681   7.484
  160    HB2  LEU 153           HB2      LEU 153 -11.156  -3.703   5.179
  161    HB3  LEU 153           HB1      LEU 153 -10.807  -2.011   5.484
  162    HG   LEU 153           HG       LEU 153  -8.788  -4.148   4.793
  163   HD11  LEU 153          1HD1      LEU 153  -8.503  -2.834   2.742
  164   HD12  LEU 153          2HD1      LEU 153  -9.814  -1.769   3.248
  165   HD13  LEU 153          3HD1      LEU 153 -10.143  -3.466   2.896
  166   HD21  LEU 153          3HD2      LEU 153  -7.839  -2.526   6.338
  167   HD22  LEU 153          1HD2      LEU 153  -8.413  -1.203   5.324
  168   HD23  LEU 153          2HD2      LEU 153  -7.178  -2.305   4.718
  169    H    GLN 154           H        GLN 154 -11.102  -1.085   7.889
  170    HA   GLN 154           HA       GLN 154 -13.175  -2.029   9.614
  171    HB2  GLN 154           HB2      GLN 154 -12.769   0.753   8.502
  172    HB3  GLN 154           HB1      GLN 154 -13.761   0.321   9.888
  173    HG2  GLN 154           HG2      GLN 154 -10.766   0.175   9.666
  174    HG3  GLN 154           HG1      GLN 154 -11.719   1.255  10.682
  175   HE21  GLN 154          1HE2      GLN 154 -10.422  -1.916  10.298
  176   HE22  GLN 154          2HE2      GLN 154 -10.841  -2.513  11.865
  177    H    VAL 155           H        VAL 155 -15.474  -1.492   9.364
  178    HA   VAL 155           HA       VAL 155 -16.508  -2.497   6.951
  179    HB   VAL 155           HB       VAL 155 -18.077  -0.793   8.889
  180   HG11  VAL 155          1HG1      VAL 155 -18.905  -3.053   7.064
  181   HG12  VAL 155          2HG1      VAL 155 -19.212  -1.335   6.799
  182   HG13  VAL 155          3HG1      VAL 155 -19.967  -2.164   8.160
  183   HG21  VAL 155          3HG2      VAL 155 -16.997  -2.422  10.247
  184   HG22  VAL 155          1HG2      VAL 155 -17.352  -3.707   9.093
  185   HG23  VAL 155          2HG2      VAL 155 -18.659  -2.954  10.005
  186    H    ASN 156           H        ASN 156 -16.322   0.798   8.232
  187    HA   ASN 156           HA       ASN 156 -17.585   2.022   6.025
  188    HB2  ASN 156           HB2      ASN 156 -15.842   3.089   8.230
  189    HB3  ASN 156           HB1      ASN 156 -16.431   4.132   6.941
  190   HD21  ASN 156          1HD2      ASN 156 -16.972   4.122   9.825
  191   HD22  ASN 156          2HD2      ASN 156 -18.694   4.026   9.983
  192    H    THR 157           H        THR 157 -14.350   0.899   6.486
  193    HA   THR 157           HA       THR 157 -13.094   2.545   4.542
  194    HB   THR 157           HB       THR 157 -12.289  -0.236   5.425
  195    HG1  THR 157           HG1      THR 157 -10.963   0.931   6.931
  196   HG21  THR 157          3HG2      THR 157 -10.022   0.509   4.807
  197   HG22  THR 157          1HG2      THR 157 -10.699   2.018   4.194
  198   HG23  THR 157          2HG2      THR 157 -11.113   0.488   3.421
  199    H    LEU 158           H        LEU 158 -14.306  -0.802   4.412
  200    HA   LEU 158           HA       LEU 158 -13.990  -1.132   1.615
  201    HB2  LEU 158           HB2      LEU 158 -16.012  -2.477   3.412
  202    HB3  LEU 158           HB1      LEU 158 -15.409  -3.073   1.878
  203    HG   LEU 158           HG       LEU 158 -13.667  -2.694   4.302
  204   HD11  LEU 158          1HD1      LEU 158 -15.008  -5.196   3.300
  205   HD12  LEU 158          2HD1      LEU 158 -15.383  -4.341   4.796
  206   HD13  LEU 158          3HD1      LEU 158 -13.812  -5.115   4.593
  207   HD21  LEU 158          3HD2      LEU 158 -12.116  -4.123   3.092
  208   HD22  LEU 158          1HD2      LEU 158 -12.501  -2.683   2.151
  209   HD23  LEU 158          2HD2      LEU 158 -13.248  -4.228   1.743
  210    H    ARG 159           H        ARG 159 -16.491   0.119   3.660
  211    HA   ARG 159           HA       ARG 159 -18.557   0.468   1.788
  212    HB2  ARG 159           HB2      ARG 159 -18.837   0.644   4.222
  213    HB3  ARG 159           HB1      ARG 159 -17.848   2.093   4.238
  214    HG2  ARG 159           HG2      ARG 159 -19.545   3.231   2.866
  215    HG3  ARG 159           HG1      ARG 159 -20.544   1.776   2.947
  216    HD2  ARG 159           HD2      ARG 159 -20.587   1.942   5.388
  217    HD3  ARG 159           HD1      ARG 159 -19.592   3.393   5.307
  218    HE   ARG 159           HE       ARG 159 -21.966   3.698   3.772
  219   HH11  ARG 159          1HH1      ARG 159 -20.716   3.709   7.051
  220   HH12  ARG 159          2HH1      ARG 159 -22.004   4.698   7.672
  221   HH21  ARG 159          1HH2      ARG 159 -23.669   5.014   4.598
  222   HH22  ARG 159          2HH2      ARG 159 -23.659   5.449   6.286
  223    H    ARG 160           H        ARG 160 -15.853   2.568   2.760
  224    HA   ARG 160           HA       ARG 160 -16.619   4.732   1.093
  225    HB2  ARG 160           HB2      ARG 160 -15.115   4.975   3.053
  226    HB3  ARG 160           HB1      ARG 160 -13.869   4.096   2.177
  227    HG2  ARG 160           HG2      ARG 160 -13.982   5.865   0.413
  228    HG3  ARG 160           HG1      ARG 160 -15.054   6.771   1.479
  229    HD2  ARG 160           HD2      ARG 160 -12.291   5.863   2.245
  230    HD3  ARG 160           HD1      ARG 160 -12.644   7.444   1.557
  231    HE   ARG 160           HE       ARG 160 -14.042   6.683   4.011
  232   HH11  ARG 160          1HH1      ARG 160 -11.554   8.539   2.403
  233   HH12  ARG 160          2HH1      ARG 160 -11.299   9.613   3.745
  234   HH21  ARG 160          1HH2      ARG 160 -13.698   8.083   5.798
  235   HH22  ARG 160          2HH2      ARG 160 -12.508   9.352   5.673
  236    H    TYR 161           H        TYR 161 -14.395   1.984   0.661
  237    HA   TYR 161           HA       TYR 161 -13.341   2.579  -1.800
  238    HB2  TYR 161           HB2      TYR 161 -12.739   0.553  -0.561
  239    HB3  TYR 161           HB1      TYR 161 -14.336  -0.126  -0.868
  240    HD1  TYR 161           HD1      TYR 161 -11.085   0.709  -2.355
  241    HD2  TYR 161           HD2      TYR 161 -14.909  -1.028  -3.039
  242    HE1  TYR 161           HE1      TYR 161 -10.265  -0.253  -4.463
  243    HE2  TYR 161           HE2      TYR 161 -14.095  -1.996  -5.147
  244    HH   TYR 161           HH       TYR 161 -10.830  -2.145  -5.963
  245    H    LYS 162           H        LYS 162 -16.396   0.794  -1.254
  246    HA   LYS 162           HA       LYS 162 -17.084   0.804  -4.007
  247    HB2  LYS 162           HB2      LYS 162 -19.292   0.024  -3.305
  248    HB3  LYS 162           HB1      LYS 162 -18.017  -0.854  -2.476
  249    HG2  LYS 162           HG2      LYS 162 -18.383   0.435  -0.471
  250    HG3  LYS 162           HG1      LYS 162 -19.594   1.417  -1.296
  251    HD2  LYS 162           HD2      LYS 162 -20.623  -0.313   0.104
  252    HD3  LYS 162           HD1      LYS 162 -20.999  -0.543  -1.604
  253    HE2  LYS 162           HE2      LYS 162 -20.447  -2.660  -0.515
  254    HE3  LYS 162           HE1      LYS 162 -19.279  -2.252  -1.772
  255    HZ1  LYS 162           HZ1      LYS 162 -18.116  -3.038   0.145
  256    HZ2  LYS 162           HZ2      LYS 162 -18.917  -1.945   1.157
  257    HZ3  LYS 162           HZ3      LYS 162 -17.817  -1.376   0.005
  258    H    ARG 163           H        ARG 163 -17.562   3.098  -1.455
  259    HA   ARG 163           HA       ARG 163 -19.638   4.605  -2.669
  260    HB2  ARG 163           HB2      ARG 163 -19.125   4.740  -0.287
  261    HB3  ARG 163           HB1      ARG 163 -17.540   5.402  -0.647
  262    HG2  ARG 163           HG2      ARG 163 -18.971   7.176   0.058
  263    HG3  ARG 163           HG1      ARG 163 -18.646   7.371  -1.665
  264    HD2  ARG 163           HD2      ARG 163 -20.803   6.472  -2.228
  265    HD3  ARG 163           HD1      ARG 163 -21.118   6.064  -0.541
  266    HE   ARG 163           HE       ARG 163 -20.601   8.828  -0.750
  267   HH11  ARG 163          1HH1      ARG 163 -23.045   6.457  -1.555
  268   HH12  ARG 163          2HH1      ARG 163 -24.366   7.576  -1.466
  269   HH21  ARG 163          1HH2      ARG 163 -22.328  10.326  -0.620
  270   HH22  ARG 163          2HH2      ARG 163 -23.950   9.793  -0.953
  271    H    HIS 164           H        HIS 164 -16.103   4.975  -2.587
  272    HA   HIS 164           HA       HIS 164 -16.103   7.345  -4.178
  273    HB2  HIS 164           HB2      HIS 164 -14.267   6.849  -2.623
  274    HB3  HIS 164           HB1      HIS 164 -13.842   5.424  -3.564
  275    HD1  HIS 164           HD1      HIS 164 -13.416   9.107  -3.442
  276    HD2  HIS 164           HD2      HIS 164 -12.600   5.988  -6.074
  277    HE1  HIS 164           HE1      HIS 164 -11.841  10.054  -5.157
  278    HE2  HIS 164           HE2      HIS 164 -11.554   8.219  -6.861
  279    H    PHE 165           H        PHE 165 -15.466   3.923  -4.873
  280    HA   PHE 165           HA       PHE 165 -14.890   4.506  -7.641
  281    HB2  PHE 165           HB2      PHE 165 -15.037   1.956  -6.051
  282    HB3  PHE 165           HB1      PHE 165 -14.824   1.949  -7.801
  283    HD1  PHE 165           HD2      PHE 165 -13.297   2.909  -4.590
  284    HD2  PHE 165           HD1      PHE 165 -12.756   2.565  -8.799
  285    HE1  PHE 165           HE2      PHE 165 -10.878   3.241  -4.306
  286    HE2  PHE 165           HE1      PHE 165 -10.335   2.895  -8.517
  287    HZ   PHE 165           HZ       PHE 165  -9.395   3.235  -6.273
  288    H    LYS 166           H        LYS 166 -17.647   4.437  -5.980
  289    HA   LYS 166           HA       LYS 166 -19.840   4.345  -6.487
  290    HB2  LYS 166           HB2      LYS 166 -18.879   4.520  -9.347
  291    HB3  LYS 166           HB1      LYS 166 -20.507   4.871  -8.780
  292    HG2  LYS 166           HG2      LYS 166 -18.001   6.390  -8.087
  293    HG3  LYS 166           HG1      LYS 166 -19.295   6.923  -9.162
  294    HD2  LYS 166           HD2      LYS 166 -20.860   6.922  -7.288
  295    HD3  LYS 166           HD1      LYS 166 -19.582   6.351  -6.213
  296    HE2  LYS 166           HE2      LYS 166 -19.883   8.741  -5.955
  297    HE3  LYS 166           HE1      LYS 166 -18.305   8.397  -6.659
  298    HZ1  LYS 166           HZ1      LYS 166 -20.696   9.182  -8.235
  299    HZ2  LYS 166           HZ2      LYS 166 -19.106   9.020  -8.809
  300    HZ3  LYS 166           HZ3      LYS 166 -19.496  10.263  -7.723
  301    H    LEU 167           H        LEU 167 -19.691   2.123  -5.665
  302    HA   LEU 167           HA       LEU 167 -20.276   0.163  -7.789
  303    HB2  LEU 167           HB2      LEU 167 -19.384  -0.321  -4.943
  304    HB3  LEU 167           HB1      LEU 167 -19.732  -1.568  -6.124
  305    HG   LEU 167           HG       LEU 167 -17.496   0.454  -6.313
  306   HD11  LEU 167          1HD1      LEU 167 -16.037  -1.479  -5.956
  307   HD12  LEU 167          2HD1      LEU 167 -17.454  -2.504  -5.733
  308   HD13  LEU 167          3HD1      LEU 167 -17.111  -1.214  -4.581
  309   HD21  LEU 167          3HD2      LEU 167 -18.195  -1.878  -8.094
  310   HD22  LEU 167          1HD2      LEU 167 -16.762  -0.860  -8.239
  311   HD23  LEU 167          2HD2      LEU 167 -18.364  -0.172  -8.508
  312    HA   PRO 168           HA       PRO 168 -24.465   0.829  -6.248
  313    HB2  PRO 168           HB2      PRO 168 -25.554  -1.016  -8.002
  314    HB3  PRO 168           HB1      PRO 168 -25.305   0.694  -8.364
  315    HG2  PRO 168           HG2      PRO 168 -23.623  -1.665  -9.092
  316    HG3  PRO 168           HG1      PRO 168 -24.016  -0.226 -10.052
  317    HD2  PRO 168           HD2      PRO 168 -21.631  -0.507  -8.852
  318    HD3  PRO 168           HD1      PRO 168 -22.426   1.078  -8.981
  319    H    THR 169           H        THR 169 -25.239  -0.150  -4.504
  320    HA   THR 169           HA       THR 169 -24.878  -3.045  -4.227
  321    HB   THR 169           HB       THR 169 -24.486  -2.486  -1.719
  322    HG1  THR 169           HG1      THR 169 -23.519  -0.085  -2.923
  323   HG21  THR 169          3HG2      THR 169 -22.309  -1.938  -3.746
  324   HG22  THR 169          1HG2      THR 169 -22.826  -3.538  -3.206
  325   HG23  THR 169          2HG2      THR 169 -22.081  -2.422  -2.064
  326    H    ARG 170           H        ARG 170 -26.230  -3.945  -2.435
  327    HA   ARG 170           HA       ARG 170 -28.829  -2.570  -2.388
  328    HB2  ARG 170           HB2      ARG 170 -28.296  -5.496  -1.854
  329    HB3  ARG 170           HB1      ARG 170 -29.857  -4.728  -2.100
  330    HG2  ARG 170           HG2      ARG 170 -27.692  -5.102  -4.163
  331    HG3  ARG 170           HG1      ARG 170 -29.229  -5.965  -4.070
  332    HD2  ARG 170           HD2      ARG 170 -28.906  -3.001  -4.513
  333    HD3  ARG 170           HD1      ARG 170 -29.258  -4.188  -5.767
  334    HE   ARG 170           HE       ARG 170 -31.220  -4.466  -3.817
  335   HH11  ARG 170          1HH1      ARG 170 -30.113  -2.016  -6.071
  336   HH12  ARG 170          2HH1      ARG 170 -31.687  -1.286  -6.233
  337   HH21  ARG 170          1HH2      ARG 170 -33.268  -3.522  -4.022
  338   HH22  ARG 170          2HH2      ARG 170 -33.486  -2.142  -5.053
  339    HA   PRO 171           HA       PRO 171 -28.366  -1.742   1.930
  340    HB2  PRO 171           HB2      PRO 171 -31.256  -2.399   2.129
  341    HB3  PRO 171           HB1      PRO 171 -30.398  -0.931   2.608
  342    HG2  PRO 171           HG2      PRO 171 -31.926  -0.970   0.426
  343    HG3  PRO 171           HG1      PRO 171 -30.400  -0.067   0.460
  344    HD2  PRO 171           HD2      PRO 171 -31.020  -2.701  -0.810
  345    HD3  PRO 171           HD1      PRO 171 -29.979  -1.386  -1.391
  346    H    GLY 172           H        GLY 172 -27.822  -2.912   3.666
  347    HA2  GLY 172           HA2      GLY 172 -28.197  -4.624   5.285
  348    HA3  GLY 172           HA1      GLY 172 -29.090  -5.535   4.076
  349    H    LEU 173           H        LEU 173 -25.879  -4.042   3.838
  350    HA   LEU 173           HA       LEU 173 -24.815  -6.540   2.823
  351    HB2  LEU 173           HB2      LEU 173 -23.542  -3.833   3.201
  352    HB3  LEU 173           HB1      LEU 173 -22.729  -5.223   2.508
  353    HG   LEU 173           HG       LEU 173 -25.176  -3.891   1.345
  354   HD11  LEU 173          1HD1      LEU 173 -23.631  -3.107  -0.393
  355   HD12  LEU 173          2HD1      LEU 173 -22.279  -3.762   0.528
  356   HD13  LEU 173          3HD1      LEU 173 -23.244  -2.444   1.193
  357   HD21  LEU 173          3HD2      LEU 173 -25.048  -6.271   0.824
  358   HD22  LEU 173          1HD2      LEU 173 -23.391  -6.065   0.255
  359   HD23  LEU 173          2HD2      LEU 173 -24.721  -5.292  -0.606
  360    H    ASN 174           H        ASN 174 -23.202  -7.738   3.755
  361    HA   ASN 174           HA       ASN 174 -22.730  -7.251   6.614
  362    HB2  ASN 174           HB2      ASN 174 -22.320  -9.751   4.952
  363    HB3  ASN 174           HB1      ASN 174 -21.963  -9.617   6.670
  364   HD21  ASN 174          1HD2      ASN 174 -23.654  -9.526   8.146
  365   HD22  ASN 174          2HD2      ASN 174 -25.271  -9.968   7.715
  366    H    LYS 175           H        LYS 175 -20.489  -8.028   7.351
  367    HA   LYS 175           HA       LYS 175 -18.578  -6.319   6.232
  368    HB2  LYS 175           HB2      LYS 175 -18.438  -6.967   8.545
  369    HB3  LYS 175           HB1      LYS 175 -18.276  -8.663   8.113
  370    HG2  LYS 175           HG2      LYS 175 -16.155  -7.669   8.826
  371    HG3  LYS 175           HG1      LYS 175 -16.093  -8.250   7.162
  372    HD2  LYS 175           HD2      LYS 175 -16.356  -6.000   6.325
  373    HD3  LYS 175           HD1      LYS 175 -16.563  -5.379   7.967
  374    HE2  LYS 175           HE2      LYS 175 -14.091  -6.730   6.883
  375    HE3  LYS 175           HE1      LYS 175 -14.295  -4.994   7.104
  376    HZ1  LYS 175           HZ1      LYS 175 -14.547  -5.368   9.486
  377    HZ2  LYS 175           HZ2      LYS 175 -13.067  -5.972   8.930
  378    HZ3  LYS 175           HZ3      LYS 175 -14.340  -7.038   9.267
  379    H    ALA 176           H        ALA 176 -18.740  -9.889   6.101
  380    HA   ALA 176           HA       ALA 176 -16.494 -10.233   4.441
  381    HB1  ALA 176           HB1      ALA 176 -17.382 -12.473   3.999
  382    HB2  ALA 176           HB2      ALA 176 -18.927 -12.000   4.708
  383    HB3  ALA 176           HB3      ALA 176 -17.478 -12.063   5.712
  384    H    GLN 177           H        GLN 177 -19.841  -9.558   3.742
  385    HA   GLN 177           HA       GLN 177 -19.847 -10.040   0.975
  386    HB2  GLN 177           HB2      GLN 177 -21.428  -8.002   2.562
  387    HB3  GLN 177           HB1      GLN 177 -21.808  -8.545   0.929
  388    HG2  GLN 177           HG2      GLN 177 -21.805 -10.257   3.404
  389    HG3  GLN 177           HG1      GLN 177 -23.229  -9.624   2.582
  390   HE21  GLN 177          1HE2      GLN 177 -22.095 -10.069  -0.064
  391   HE22  GLN 177          2HE2      GLN 177 -22.158 -11.773  -0.347
  392    H    LEU 178           H        LEU 178 -19.157  -7.133   2.864
  393    HA   LEU 178           HA       LEU 178 -18.698  -5.350   0.759
  394    HB2  LEU 178           HB2      LEU 178 -17.274  -5.419   3.419
  395    HB3  LEU 178           HB1      LEU 178 -17.431  -4.032   2.357
  396    HG   LEU 178           HG       LEU 178 -19.739  -5.383   3.752
  397   HD11  LEU 178          1HD1      LEU 178 -19.749  -3.409   5.186
  398   HD12  LEU 178          2HD1      LEU 178 -18.292  -2.819   4.387
  399   HD13  LEU 178          3HD1      LEU 178 -18.238  -4.306   5.335
  400   HD21  LEU 178          3HD2      LEU 178 -19.574  -2.798   2.208
  401   HD22  LEU 178          1HD2      LEU 178 -20.996  -3.413   3.054
  402   HD23  LEU 178          2HD2      LEU 178 -20.357  -4.280   1.658
  403    H    VAL 179           H        VAL 179 -16.492  -7.484   2.512
  404    HA   VAL 179           HA       VAL 179 -14.109  -6.628   1.326
  405    HB   VAL 179           HB       VAL 179 -14.650  -9.442   2.285
  406   HG11  VAL 179          1HG1      VAL 179 -12.538  -9.122   1.114
  407   HG12  VAL 179          2HG1      VAL 179 -12.270  -9.416   2.833
  408   HG13  VAL 179          3HG1      VAL 179 -12.144  -7.778   2.186
  409   HG21  VAL 179          3HG2      VAL 179 -15.379  -7.857   3.987
  410   HG22  VAL 179          1HG2      VAL 179 -13.826  -7.026   3.889
  411   HG23  VAL 179          2HG2      VAL 179 -13.902  -8.684   4.487
  412    H    GLU 180           H        GLU 180 -16.315  -9.257   0.394
  413    HA   GLU 180           HA       GLU 180 -14.788 -10.224  -1.753
  414    HB2  GLU 180           HB2      GLU 180 -17.758 -10.317  -1.234
  415    HB3  GLU 180           HB1      GLU 180 -16.995 -11.134  -2.591
  416    HG2  GLU 180           HG2      GLU 180 -15.557 -12.342  -0.937
  417    HG3  GLU 180           HG1      GLU 180 -16.563 -11.652   0.336
  418    H    ILE 181           H        ILE 181 -17.413  -7.826  -1.689
  419    HA   ILE 181           HA       ILE 181 -17.474  -7.233  -4.425
  420    HB   ILE 181           HB       ILE 181 -17.976  -5.351  -2.104
  421   HG12  ILE 181          2HG1      ILE 181 -19.954  -6.943  -3.752
  422   HG13  ILE 181          1HG1      ILE 181 -19.376  -7.433  -2.162
  423   HG21  ILE 181          1HG2      ILE 181 -17.597  -4.136  -4.185
  424   HG22  ILE 181          2HG2      ILE 181 -19.290  -4.035  -3.699
  425   HG23  ILE 181          3HG2      ILE 181 -18.807  -5.129  -4.995
  426   HD11  ILE 181          3HD1      ILE 181 -21.550  -6.386  -2.000
  427   HD12  ILE 181          1HD1      ILE 181 -20.936  -4.936  -2.794
  428   HD13  ILE 181          2HD1      ILE 181 -20.335  -5.390  -1.200
  429    H    VAL 182           H        VAL 182 -15.534  -5.836  -1.812
  430    HA   VAL 182           HA       VAL 182 -14.241  -3.866  -3.345
  431    HB   VAL 182           HB       VAL 182 -13.351  -5.245  -0.806
  432   HG11  VAL 182          1HG1      VAL 182 -11.411  -4.326  -1.979
  433   HG12  VAL 182          2HG1      VAL 182 -11.777  -3.395  -0.527
  434   HG13  VAL 182          3HG1      VAL 182 -12.226  -2.766  -2.111
  435   HG21  VAL 182          3HG2      VAL 182 -14.096  -3.195   0.272
  436   HG22  VAL 182          1HG2      VAL 182 -15.416  -3.950  -0.622
  437   HG23  VAL 182          2HG2      VAL 182 -14.590  -2.541  -1.290
  438    H    GLY 183           H        GLY 183 -13.223  -7.170  -2.471
  439    HA2  GLY 183           HA2      GLY 183 -10.708  -7.037  -3.750
  440    HA3  GLY 183           HA1      GLY 183 -11.560  -8.511  -3.308
  441    H    CYS 184           H        CYS 184 -13.880  -8.106  -4.862
  442    HA   CYS 184           HA       CYS 184 -13.119  -9.192  -7.318
  443    HB2  CYS 184           HB2      CYS 184 -15.354  -9.490  -6.384
  444    HB3  CYS 184           HB1      CYS 184 -15.682  -7.772  -6.558
  445    HG   CYS 184           HG       CYS 184 -14.849  -9.331  -9.415
  446    H    HIS 185           H        HIS 185 -13.966  -5.856  -6.444
  447    HA   HIS 185           HA       HIS 185 -13.468  -4.926  -9.146
  448    HB2  HIS 185           HB2      HIS 185 -15.236  -3.939  -7.670
  449    HB3  HIS 185           HB1      HIS 185 -13.959  -3.294  -6.646
  450    HD1  HIS 185           HD1      HIS 185 -12.614  -1.280  -7.547
  451    HD2  HIS 185           HD2      HIS 185 -15.627  -2.587 -10.095
  452    HE1  HIS 185           HE1      HIS 185 -12.919   0.557  -9.239
  453    HE2  HIS 185           HE2      HIS 185 -14.914  -0.153 -10.598
  454    H    PHE 186           H        PHE 186 -11.705  -5.313  -6.223
  455    HA   PHE 186           HA       PHE 186  -9.764  -3.306  -6.510
  456    HB2  PHE 186           HB2      PHE 186 -10.320  -4.746  -4.467
  457    HB3  PHE 186           HB1      PHE 186  -9.317  -5.988  -5.209
  458    HD1  PHE 186           HD1      PHE 186  -9.129  -2.352  -4.418
  459    HD2  PHE 186           HD2      PHE 186  -7.158  -6.118  -4.490
  460    HE1  PHE 186           HE1      PHE 186  -7.153  -1.332  -3.387
  461    HE2  PHE 186           HE2      PHE 186  -5.172  -5.100  -3.463
  462    HZ   PHE 186           HZ       PHE 186  -5.164  -2.706  -2.906
  463    H    LYS 187           H        LYS 187  -9.882  -6.677  -7.585
  464    HA   LYS 187           HA       LYS 187  -7.263  -6.648  -8.723
  465    HB2  LYS 187           HB2      LYS 187  -9.618  -8.483  -8.967
  466    HB3  LYS 187           HB1      LYS 187  -8.257  -8.659 -10.064
  467    HG2  LYS 187           HG2      LYS 187  -6.779  -8.843  -8.040
  468    HG3  LYS 187           HG1      LYS 187  -8.252  -8.925  -7.071
  469    HD2  LYS 187           HD2      LYS 187  -8.951 -10.931  -8.172
  470    HD3  LYS 187           HD1      LYS 187  -7.654 -10.791  -9.360
  471    HE2  LYS 187           HE2      LYS 187  -6.009 -11.072  -7.531
  472    HE3  LYS 187           HE1      LYS 187  -7.343 -11.317  -6.404
  473    HZ1  LYS 187           HZ1      LYS 187  -8.017 -13.261  -7.682
  474    HZ2  LYS 187           HZ2      LYS 187  -6.413 -13.426  -7.153
  475    HZ3  LYS 187           HZ3      LYS 187  -6.738 -13.019  -8.767
  476    H    SER 188           H        SER 188 -10.228  -5.320  -9.780
  477    HA   SER 188           HA       SER 188  -9.318  -5.328 -12.570
  478    HB2  SER 188           HB2      SER 188 -11.730  -4.664 -13.040
  479    HB3  SER 188           HB1      SER 188 -11.473  -6.299 -12.432
  480    HG   SER 188           HG       SER 188 -13.208  -5.049 -11.415
  481    H    ILE 189           H        ILE 189  -8.389  -3.476 -10.410
  482    HA   ILE 189           HA       ILE 189  -9.383  -0.911 -11.365
  483    HB   ILE 189           HB       ILE 189  -7.256  -1.540  -9.307
  484   HG12  ILE 189          2HG1      ILE 189 -10.088  -0.516  -9.006
  485   HG13  ILE 189          1HG1      ILE 189  -9.531  -2.137  -8.604
  486   HG21  ILE 189          1HG2      ILE 189  -7.347   0.844  -8.741
  487   HG22  ILE 189          2HG2      ILE 189  -8.451   1.118 -10.090
  488   HG23  ILE 189          3HG2      ILE 189  -6.800   0.583 -10.398
  489   HD11  ILE 189          3HD1      ILE 189  -8.629   0.409  -7.280
  490   HD12  ILE 189          1HD1      ILE 189  -8.078  -1.217  -6.881
  491   HD13  ILE 189          2HD1      ILE 189  -9.763  -0.768  -6.615
  492    HA   PRO 190           HA       PRO 190  -6.115  -0.941 -14.470
  493    HB2  PRO 190           HB2      PRO 190  -6.873   1.404 -15.640
  494    HB3  PRO 190           HB1      PRO 190  -7.636  -0.149 -15.994
  495    HG2  PRO 190           HG2      PRO 190  -8.556   2.047 -14.193
  496    HG3  PRO 190           HG1      PRO 190  -9.503   1.037 -15.300
  497    HD2  PRO 190           HD2      PRO 190  -9.420   0.609 -12.620
  498    HD3  PRO 190           HD1      PRO 190  -9.635  -0.701 -13.798
  499    H    VAL 191           H        VAL 191  -4.260  -0.548 -13.402
  500    HA   VAL 191           HA       VAL 191  -3.838   2.137 -12.276
  501    HB   VAL 191           HB       VAL 191  -3.773   0.143 -10.719
  502   HG11  VAL 191          1HG1      VAL 191  -1.741  -1.216 -10.688
  503   HG12  VAL 191          2HG1      VAL 191  -1.209  -0.445 -12.183
  504   HG13  VAL 191          3HG1      VAL 191  -2.664  -1.441 -12.174
  505   HG21  VAL 191          3HG2      VAL 191  -1.256   1.786 -10.894
  506   HG22  VAL 191          1HG2      VAL 191  -1.834   0.922  -9.471
  507   HG23  VAL 191          2HG2      VAL 191  -2.762   2.277 -10.117
  508    H    ASN 192           H        ASN 192  -1.664   3.058 -12.504
  509    HA   ASN 192           HA       ASN 192  -0.190   2.004 -14.827
  510    HB2  ASN 192           HB2      ASN 192  -1.427   3.898 -15.646
  511    HB3  ASN 192           HB1      ASN 192  -0.939   4.880 -14.267
  512   HD21  ASN 192          1HD2      ASN 192   0.148   3.356 -17.229
  513   HD22  ASN 192          2HD2      ASN 192   1.556   4.348 -17.439
  514    H    GLU 193           H        GLU 193   1.898   1.730 -14.492
  515    HA   GLU 193           HA       GLU 193   3.015   1.753 -11.974
  516    HB2  GLU 193           HB2      GLU 193   3.895   0.490 -13.900
  517    HB3  GLU 193           HB1      GLU 193   4.474   1.991 -14.610
  518    HG2  GLU 193           HG2      GLU 193   5.887   2.285 -12.546
  519    HG3  GLU 193           HG1      GLU 193   5.445   0.633 -12.110
  520    H    LYS 194           H        LYS 194   3.742   4.095 -14.566
  521    HA   LYS 194           HA       LYS 194   5.565   5.596 -13.062
  522    HB2  LYS 194           HB2      LYS 194   3.922   6.392 -15.451
  523    HB3  LYS 194           HB1      LYS 194   5.221   7.361 -14.776
  524    HG2  LYS 194           HG2      LYS 194   5.461   4.626 -15.992
  525    HG3  LYS 194           HG1      LYS 194   6.012   6.158 -16.670
  526    HD2  LYS 194           HD2      LYS 194   7.036   4.886 -14.131
  527    HD3  LYS 194           HD1      LYS 194   7.870   4.896 -15.686
  528    HE2  LYS 194           HE2      LYS 194   8.000   7.323 -15.621
  529    HE3  LYS 194           HE1      LYS 194   7.109   7.345 -14.099
  530    HZ1  LYS 194           HZ1      LYS 194   9.782   6.126 -14.536
  531    HZ2  LYS 194           HZ2      LYS 194   8.925   6.113 -13.070
  532    HZ3  LYS 194           HZ3      LYS 194   9.470   7.581 -13.721
  533    H    ASP 195           H        ASP 195   2.183   6.374 -13.875
  534    HA   ASP 195           HA       ASP 195   2.324   8.857 -12.535
  535    HB2  ASP 195           HB2      ASP 195   0.729   8.504 -14.347
  536    HB3  ASP 195           HB1      ASP 195  -0.114   7.287 -13.391
  537    H    THR 196           H        THR 196   1.119   5.680 -11.588
  538    HA   THR 196           HA       THR 196  -0.116   6.543  -9.198
  539    HB   THR 196           HB       THR 196   0.887   3.808  -9.988
  540    HG1  THR 196           HG1      THR 196  -1.454   5.301 -10.429
  541   HG21  THR 196          3HG2      THR 196   0.599   3.985  -7.555
  542   HG22  THR 196          1HG2      THR 196  -0.637   2.954  -8.277
  543   HG23  THR 196          2HG2      THR 196  -1.035   4.604  -7.794
  544    H    LEU 197           H        LEU 197   3.160   5.298  -9.884
  545    HA   LEU 197           HA       LEU 197   4.052   5.314  -7.204
  546    HB2  LEU 197           HB2      LEU 197   5.591   5.736  -9.771
  547    HB3  LEU 197           HB1      LEU 197   6.344   5.580  -8.196
  548    HG   LEU 197           HG       LEU 197   4.800   3.472  -9.695
  549   HD11  LEU 197          1HD1      LEU 197   7.089   3.786 -10.436
  550   HD12  LEU 197          2HD1      LEU 197   6.938   2.261  -9.563
  551   HD13  LEU 197          3HD1      LEU 197   7.666   3.662  -8.775
  552   HD21  LEU 197          3HD2      LEU 197   4.216   3.372  -7.328
  553   HD22  LEU 197          1HD2      LEU 197   5.926   3.362  -6.899
  554   HD23  LEU 197          2HD2      LEU 197   5.231   2.005  -7.786
  555    H    THR 198           H        THR 198   4.161   7.768  -9.749
  556    HA   THR 198           HA       THR 198   5.387   9.820  -8.304
  557    HB   THR 198           HB       THR 198   3.276  10.132 -10.457
  558    HG1  THR 198           HG1      THR 198   4.883   8.887 -11.337
  559   HG21  THR 198          3HG2      THR 198   5.502  11.973  -9.559
  560   HG22  THR 198          1HG2      THR 198   3.776  12.221  -9.294
  561   HG23  THR 198          2HG2      THR 198   4.430  12.256 -10.931
  562    H    CYS 199           H        CYS 199   1.979   8.890  -8.562
  563    HA   CYS 199           HA       CYS 199   0.809  10.967  -7.136
  564    HB2  CYS 199           HB2      CYS 199   0.117   8.090  -7.599
  565    HB3  CYS 199           HB1      CYS 199  -0.872   9.062  -6.525
  566    HG   CYS 199           HG       CYS 199  -0.863   8.923  -9.829
  567    H    PHE 200           H        PHE 200   1.881   7.794  -5.931
  568    HA   PHE 200           HA       PHE 200   1.175   8.270  -3.257
  569    HB2  PHE 200           HB2      PHE 200   1.554   6.025  -4.198
  570    HB3  PHE 200           HB1      PHE 200   3.274   6.386  -4.352
  571    HD1  PHE 200           HD2      PHE 200   0.560   6.250  -1.803
  572    HD2  PHE 200           HD1      PHE 200   4.705   5.791  -2.652
  573    HE1  PHE 200           HE2      PHE 200   0.928   5.411   0.478
  574    HE2  PHE 200           HE1      PHE 200   5.083   4.950  -0.370
  575    HZ   PHE 200           HZ       PHE 200   3.193   4.759   1.197
  576    H    ILE 201           H        ILE 201   4.337   8.503  -4.879
  577    HA   ILE 201           HA       ILE 201   5.814   9.089  -2.583
  578    HB   ILE 201           HB       ILE 201   6.392   9.891  -5.434
  579   HG12  ILE 201          2HG1      ILE 201   7.316   7.521  -3.793
  580   HG13  ILE 201          1HG1      ILE 201   6.132   7.466  -5.094
  581   HG21  ILE 201          1HG2      ILE 201   8.236   9.774  -3.047
  582   HG22  ILE 201          2HG2      ILE 201   7.696  11.234  -3.876
  583   HG23  ILE 201          3HG2      ILE 201   8.731  10.077  -4.713
  584   HD11  ILE 201          3HD1      ILE 201   8.261   6.669  -5.874
  585   HD12  ILE 201          1HD1      ILE 201   9.045   8.160  -5.351
  586   HD13  ILE 201          2HD1      ILE 201   7.873   8.195  -6.669
  587    H    TYR 202           H        TYR 202   4.333  11.303  -4.953
  588    HA   TYR 202           HA       TYR 202   5.445  13.641  -3.743
  589    HB2  TYR 202           HB2      TYR 202   3.342  13.205  -5.852
  590    HB3  TYR 202           HB1      TYR 202   3.716  14.813  -5.243
  591    HD1  TYR 202           HD1      TYR 202   5.859  11.885  -6.207
  592    HD2  TYR 202           HD2      TYR 202   4.920  15.989  -6.815
  593    HE1  TYR 202           HE1      TYR 202   7.702  12.060  -7.824
  594    HE2  TYR 202           HE2      TYR 202   6.760  16.174  -8.434
  595    HH   TYR 202           HH       TYR 202   8.875  15.033  -8.970
  596    H    SER 203           H        SER 203   2.441  11.881  -3.409
  597    HA   SER 203           HA       SER 203   1.120  13.903  -1.902
  598    HB2  SER 203           HB2      SER 203   0.604  10.938  -2.188
  599    HB3  SER 203           HB1      SER 203  -0.441  12.028  -1.281
  600    HG   SER 203           HG       SER 203  -1.177  11.752  -3.433
  601    H    VAL 204           H        VAL 204   2.753  10.856  -0.944
  602    HA   VAL 204           HA       VAL 204   2.215  11.197   1.814
  603    HB   VAL 204           HB       VAL 204   4.401   9.542   0.549
  604   HG11  VAL 204          1HG1      VAL 204   4.747   9.911   2.951
  605   HG12  VAL 204          2HG1      VAL 204   4.333   8.230   2.609
  606   HG13  VAL 204          3HG1      VAL 204   3.117   9.322   3.273
  607   HG21  VAL 204          3HG2      VAL 204   2.811   7.691   0.742
  608   HG22  VAL 204          1HG2      VAL 204   2.213   8.965  -0.322
  609   HG23  VAL 204          2HG2      VAL 204   1.582   8.817   1.320
  610    H    ARG 205           H        ARG 205   4.968  12.134  -0.193
  611    HA   ARG 205           HA       ARG 205   6.565  13.023   2.003
  612    HB2  ARG 205           HB2      ARG 205   6.685  13.458  -0.962
  613    HB3  ARG 205           HB1      ARG 205   7.745  14.347   0.121
  614    HG2  ARG 205           HG2      ARG 205   8.628  12.235   0.986
  615    HG3  ARG 205           HG1      ARG 205   7.580  11.350  -0.124
  616    HD2  ARG 205           HD2      ARG 205   9.955  11.640  -0.892
  617    HD3  ARG 205           HD1      ARG 205   8.724  12.207  -2.020
  618    HE   ARG 205           HE       ARG 205   9.206  14.485  -0.987
  619   HH11  ARG 205          1HH1      ARG 205  11.672  11.982  -1.315
  620   HH12  ARG 205          2HH1      ARG 205  12.967  13.137  -1.403
  621   HH21  ARG 205          1HH2      ARG 205  10.915  15.953  -1.119
  622   HH22  ARG 205          2HH2      ARG 205  12.546  15.374  -1.288
  623    H    ASN 206           H        ASN 206   3.758  14.218   0.682
  624    HA   ASN 206           HA       ASN 206   4.381  17.004   1.374
  625    HB2  ASN 206           HB2      ASN 206   3.105  16.091  -0.816
  626    HB3  ASN 206           HB1      ASN 206   1.723  16.253   0.263
  627   HD21  ASN 206          1HD2      ASN 206   4.610  18.244   0.241
  628   HD22  ASN 206          2HD2      ASN 206   3.821  19.702  -0.240
  629    H    ASP 207           H        ASP 207   1.840  14.561   1.812
  630    HA   ASP 207           HA       ASP 207   1.712  14.909   4.624
  631    HB2  ASP 207           HB2      ASP 207   0.394  16.926   3.688
  632    HB3  ASP 207           HB1      ASP 207  -0.806  15.745   3.172
  633    H    LYS 208           H        LYS 208  -0.977  13.868   4.868
  634    HA   LYS 208           HA       LYS 208  -0.830  11.406   3.288
  635    HB2  LYS 208           HB2      LYS 208  -1.045  11.576   6.293
  636    HB3  LYS 208           HB1      LYS 208  -1.411  10.123   5.375
  637    HG2  LYS 208           HG2      LYS 208   0.820   9.899   4.643
  638    HG3  LYS 208           HG1      LYS 208   1.241  11.518   5.200
  639    HD2  LYS 208           HD2      LYS 208   0.215   9.519   7.149
  640    HD3  LYS 208           HD1      LYS 208   1.889   9.413   6.607
  641    HE2  LYS 208           HE2      LYS 208   0.635  11.893   7.772
  642    HE3  LYS 208           HE1      LYS 208   1.555  10.718   8.710
  643    HZ1  LYS 208           HZ1      LYS 208   2.573  12.363   6.450
  644    HZ2  LYS 208           HZ2      LYS 208   3.464  11.156   7.235
  645    HZ3  LYS 208           HZ3      LYS 208   2.973  12.532   8.088
  646    H    ASN 209           H        ASN 209  -2.705  10.701   2.548
  647    HA   ASN 209           HA       ASN 209  -4.892  10.555   2.028
  648    HB2  ASN 209           HB2      ASN 209  -5.181  11.495   4.878
  649    HB3  ASN 209           HB1      ASN 209  -6.586  11.259   3.845
  650   HD21  ASN 209          1HD2      ASN 209  -7.301   9.239   3.414
  651   HD22  ASN 209          2HD2      ASN 209  -6.591   7.801   4.077
  652    H    LYS 210           H        LYS 210  -5.075  13.482   4.020
  653    HA   LYS 210           HA       LYS 210  -5.440  15.665   3.544
  654    HB2  LYS 210           HB2      LYS 210  -3.526  15.332   1.977
  655    HB3  LYS 210           HB1      LYS 210  -4.678  14.964   0.704
  656    HG2  LYS 210           HG2      LYS 210  -5.542  17.187   0.745
  657    HG3  LYS 210           HG1      LYS 210  -4.607  17.579   2.191
  658    HD2  LYS 210           HD2      LYS 210  -2.530  17.249   0.925
  659    HD3  LYS 210           HD1      LYS 210  -3.476  16.879  -0.518
  660    HE2  LYS 210           HE2      LYS 210  -4.380  19.102  -0.566
  661    HE3  LYS 210           HE1      LYS 210  -3.642  19.482   0.991
  662    HZ1  LYS 210           HZ1      LYS 210  -1.466  19.246  -0.014
  663    HZ2  LYS 210           HZ2      LYS 210  -2.371  20.411  -0.845
  664    HZ3  LYS 210           HZ3      LYS 210  -2.161  18.865  -1.513
  665    H    SER 211           H        SER 211  -6.972  17.128   2.521
  666    HA   SER 211           HA       SER 211  -9.029  17.722   1.774
  667    HB2  SER 211           HB2      SER 211  -8.302  16.560  -0.339
  668    HB3  SER 211           HB1      SER 211  -9.076  15.094   0.261
  669    HG   SER 211           HG       SER 211 -11.050  16.097   0.159
  670    H    ASP 212           H        ASP 212  -8.605  16.297   4.192
  671    HA   ASP 212           HA       ASP 212 -10.790  14.463   4.597
  672    HB2  ASP 212           HB2      ASP 212 -10.005  14.548   6.982
  673    HB3  ASP 212           HB1      ASP 212  -8.758  14.084   5.829
  674    H    LEU 213           H        LEU 213 -11.739  16.886   3.630
  675    HA   LEU 213           HA       LEU 213 -12.569  18.643   5.719
  676    HB2  LEU 213           HB2      LEU 213 -12.283  19.364   3.369
  677    HB3  LEU 213           HB1      LEU 213 -13.644  18.359   2.909
  678    HG   LEU 213           HG       LEU 213 -15.114  19.737   4.362
  679   HD11  LEU 213          1HD1      LEU 213 -14.271  21.898   5.171
  680   HD12  LEU 213          2HD1      LEU 213 -12.643  21.441   4.667
  681   HD13  LEU 213          3HD1      LEU 213 -13.456  20.538   5.945
  682   HD21  LEU 213          3HD2      LEU 213 -14.931  20.198   1.970
  683   HD22  LEU 213          1HD2      LEU 213 -13.569  21.274   2.277
  684   HD23  LEU 213          2HD2      LEU 213 -15.172  21.684   2.890
  685    H    LYS 214           H        LYS 214 -14.370  18.665   6.886
  686    HA   LYS 214           HA       LYS 214 -16.349  18.088   7.821
  687    HB2  LYS 214           HB2      LYS 214 -17.239  18.193   5.474
  688    HB3  LYS 214           HB1      LYS 214 -16.932  16.469   5.336
  689    HG2  LYS 214           HG2      LYS 214 -18.458  16.105   7.270
  690    HG3  LYS 214           HG1      LYS 214 -18.848  17.823   7.223
  691    HD2  LYS 214           HD2      LYS 214 -19.273  15.858   4.976
  692    HD3  LYS 214           HD1      LYS 214 -20.525  16.480   6.050
  693    HE2  LYS 214           HE2      LYS 214 -18.832  18.161   4.204
  694    HE3  LYS 214           HE1      LYS 214 -20.472  17.618   3.852
  695    HZ1  LYS 214           HZ1      LYS 214 -20.615  19.820   4.659
  696    HZ2  LYS 214           HZ2      LYS 214 -19.606  19.495   5.982
  697    HZ3  LYS 214           HZ3      LYS 214 -21.163  18.824   5.915
  698    H    ALA 215           H        ALA 215 -15.723  16.919   9.517
  699    HA   ALA 215           HA       ALA 215 -14.521  14.325   9.223
  700    HB1  ALA 215           HB1      ALA 215 -13.758  15.901  10.940
  701    HB2  ALA 215           HB2      ALA 215 -14.289  14.373  11.644
  702    HB3  ALA 215           HB3      ALA 215 -15.331  15.794  11.730
  703    H    ASP 216           H        ASP 216 -17.703  15.531   9.776
  704    HA   ASP 216           HA       ASP 216 -18.686  13.094  10.968
  705    HB2  ASP 216           HB2      ASP 216 -19.676  15.371  11.420
  706    HB3  ASP 216           HB1      ASP 216 -20.320  15.341   9.780
  707    H    SER 217           H        SER 217 -19.809  11.470   9.993
  708    HA   SER 217           HA       SER 217 -20.242  11.643   7.091
  709    HB2  SER 217           HB2      SER 217 -18.978   9.282   8.507
  710    HB3  SER 217           HB1      SER 217 -19.281   9.426   6.776
  711    HG   SER 217           HG       SER 217 -17.846  11.529   7.725
  712    H    GLY 218           H        GLY 218 -22.079  11.888   9.329
  713    HA2  GLY 218           HA2      GLY 218 -23.457   9.360   9.603
  714    HA3  GLY 218           HA1      GLY 218 -23.970  10.910  10.252
  715    H    VAL 219           H        VAL 219 -23.432   9.554   7.006
  716    HA   VAL 219           HA       VAL 219 -25.941  10.822   6.157
  717    HB   VAL 219           HB       VAL 219 -25.144  10.507   3.844
  718   HG11  VAL 219          1HG1      VAL 219 -23.201  11.946   5.648
  719   HG12  VAL 219          2HG1      VAL 219 -24.695  12.602   4.979
  720   HG13  VAL 219          3HG1      VAL 219 -23.357  12.191   3.907
  721   HG21  VAL 219          3HG2      VAL 219 -22.591   9.515   5.116
  722   HG22  VAL 219          1HG2      VAL 219 -22.849   9.817   3.397
  723   HG23  VAL 219          2HG2      VAL 219 -23.739   8.531   4.211
  724    H    HIS 220           H        HIS 220 -26.902   9.510   4.177
  725    HA   HIS 220           HA       HIS 220 -27.026   6.664   4.871
  726    HB2  HIS 220           HB2      HIS 220 -28.893   7.838   6.029
  727    HB3  HIS 220           HB1      HIS 220 -29.459   8.426   4.470
  728    HD1  HIS 220           HD1      HIS 220 -31.008   6.938   3.193
  729    HD2  HIS 220           HD2      HIS 220 -29.095   4.951   6.307
  730    HE1  HIS 220           HE1      HIS 220 -32.111   4.680   3.340
  731    HE2  HIS 220           HE2      HIS 220 -31.043   3.556   5.331
  732    H1   SER 454           HT1      SER 454  34.509   9.568 -13.857
  733    H2   SER 454           HT2      SER 454  32.861   9.787 -13.537
  734    H3   SER 454           HT3      SER 454  33.449   8.255 -13.967
  735    HA   SER 454           HA       SER 454  34.728   8.127 -11.956
  736    HB2  SER 454           HB2      SER 454  34.262   9.882 -10.191
  737    HB3  SER 454           HB1      SER 454  35.238  10.429 -11.554
  738    HG   SER 454           HG       SER 454  33.689  11.749 -12.157
  739    H    ASN 455           H        ASN 455  33.846   7.012 -10.249
  740    HA   ASN 455           HA       ASN 455  32.326   5.869  -9.038
  741    HB2  ASN 455           HB2      ASN 455  30.578   8.216  -9.769
  742    HB3  ASN 455           HB1      ASN 455  29.999   6.884  -8.771
  743   HD21  ASN 455          1HD2      ASN 455  29.704   8.233  -7.001
  744   HD22  ASN 455          2HD2      ASN 455  31.032   8.836  -6.067
  745    H    ALA 456           H        ALA 456  29.995   4.836  -9.238
  746    HA   ALA 456           HA       ALA 456  29.698   3.993 -12.049
  747    HB1  ALA 456           HB1      ALA 456  30.872   2.296 -10.708
  748    HB2  ALA 456           HB2      ALA 456  29.325   1.721 -11.326
  749    HB3  ALA 456           HB3      ALA 456  29.473   2.203  -9.636
  750    H    SER 457           H        SER 457  28.143   4.644  -8.985
  751    HA   SER 457           HA       SER 457  25.557   4.670 -10.381
  752    HB2  SER 457           HB2      SER 457  26.013   3.605  -7.585
  753    HB3  SER 457           HB1      SER 457  24.482   3.637  -8.460
  754    HG   SER 457           HG       SER 457  25.892   2.363 -10.091
  755    H    LYS 458           H        LYS 458  24.355   6.447 -10.008
  756    HA   LYS 458           HA       LYS 458  25.466   8.594  -8.454
  757    HB2  LYS 458           HB2      LYS 458  24.316   9.063 -10.548
  758    HB3  LYS 458           HB1      LYS 458  22.839   8.337  -9.933
  759    HG2  LYS 458           HG2      LYS 458  22.813  10.110  -8.162
  760    HG3  LYS 458           HG1      LYS 458  24.147  10.886  -9.019
  761    HD2  LYS 458           HD2      LYS 458  22.777  11.144 -10.993
  762    HD3  LYS 458           HD1      LYS 458  21.457  10.253 -10.230
  763    HE2  LYS 458           HE2      LYS 458  22.587  12.901  -9.327
  764    HE3  LYS 458           HE1      LYS 458  21.047  12.654 -10.149
  765    HZ1  LYS 458           HZ1      LYS 458  20.410  11.215  -8.217
  766    HZ2  LYS 458           HZ2      LYS 458  20.584  12.863  -7.858
  767    HZ3  LYS 458           HZ3      LYS 458  21.801  11.769  -7.417
  768    H    HIS 459           H        HIS 459  24.640   9.523  -6.592
  769    HA   HIS 459           HA       HIS 459  22.529   8.000  -5.205
  770    HB2  HIS 459           HB2      HIS 459  25.112   9.112  -4.131
  771    HB3  HIS 459           HB1      HIS 459  23.736   8.831  -3.072
  772    HD1  HIS 459           HD1      HIS 459  24.139   6.746  -1.822
  773    HD2  HIS 459           HD2      HIS 459  25.393   6.433  -5.779
  774    HE1  HIS 459           HE1      HIS 459  24.926   4.369  -2.101
  775    HE2  HIS 459           HE2      HIS 459  25.720   4.207  -4.488
  776    H    GLY 460           H        GLY 460  22.093   9.620  -3.061
  777    HA2  GLY 460           HA2      GLY 460  21.744  12.035  -2.631
  778    HA3  GLY 460           HA1      GLY 460  21.272  12.169  -4.320
  779    H    VAL 461           H        VAL 461  19.168  12.650  -4.329
  780    HA   VAL 461           HA       VAL 461  17.384  11.363  -2.410
  781    HB   VAL 461           HB       VAL 461  16.687  13.412  -4.522
  782   HG11  VAL 461          1HG1      VAL 461  14.775  12.121  -3.759
  783   HG12  VAL 461          2HG1      VAL 461  14.680  13.774  -3.152
  784   HG13  VAL 461          3HG1      VAL 461  15.188  12.470  -2.080
  785   HG21  VAL 461          3HG2      VAL 461  17.339  13.818  -1.605
  786   HG22  VAL 461          1HG2      VAL 461  16.730  15.058  -2.701
  787   HG23  VAL 461          2HG2      VAL 461  18.317  14.340  -2.976
  788    H    GLY 462           H        GLY 462  17.542   9.249  -3.239
  789    HA2  GLY 462           HA2      GLY 462  15.627   8.736  -5.360
  790    HA3  GLY 462           HA1      GLY 462  17.275   8.227  -5.704
  791    H    THR 463           H        THR 463  16.030   8.157  -2.459
  792    HA   THR 463           HA       THR 463  16.541   5.334  -2.317
  793    HB   THR 463           HB       THR 463  17.100   6.680  -0.379
  794    HG1  THR 463           HG1      THR 463  15.636   4.486  -0.319
  795   HG21  THR 463          3HG2      THR 463  14.149   7.294  -0.182
  796   HG22  THR 463          1HG2      THR 463  15.419   8.440  -0.611
  797   HG23  THR 463          2HG2      THR 463  15.375   7.738   1.005
  798    H    GLU 464           H        GLU 464  13.810   7.404  -2.790
  799    HA   GLU 464           HA       GLU 464  11.747   5.572  -2.216
  800    HB2  GLU 464           HB2      GLU 464  11.803   7.795  -4.274
  801    HB3  GLU 464           HB1      GLU 464  10.358   6.974  -3.704
  802    HG2  GLU 464           HG2      GLU 464  10.323   8.914  -2.479
  803    HG3  GLU 464           HG1      GLU 464  11.110   7.798  -1.367
  804    H    SER 465           H        SER 465  13.460   6.341  -5.219
  805    HA   SER 465           HA       SER 465  12.213   4.466  -6.879
  806    HB2  SER 465           HB2      SER 465  15.085   5.393  -7.062
  807    HB3  SER 465           HB1      SER 465  14.056   4.832  -8.381
  808    HG   SER 465           HG       SER 465  13.826   6.952  -8.561
  809    H    LEU 466           H        LEU 466  14.924   4.212  -4.663
  810    HA   LEU 466           HA       LEU 466  15.779   1.615  -5.331
  811    HB2  LEU 466           HB2      LEU 466  17.022   3.232  -3.901
  812    HB3  LEU 466           HB1      LEU 466  15.846   2.967  -2.629
  813    HG   LEU 466           HG       LEU 466  16.530   0.553  -2.607
  814   HD11  LEU 466          1HD1      LEU 466  18.743   1.571  -4.381
  815   HD12  LEU 466          2HD1      LEU 466  17.479   0.430  -4.842
  816   HD13  LEU 466          3HD1      LEU 466  18.676  -0.022  -3.629
  817   HD21  LEU 466          3HD2      LEU 466  17.354   2.149  -0.959
  818   HD22  LEU 466          1HD2      LEU 466  18.674   2.595  -2.039
  819   HD23  LEU 466          2HD2      LEU 466  18.596   0.965  -1.369
  820    H    PHE 467           H        PHE 467  13.598   2.743  -2.749
  821    HA   PHE 467           HA       PHE 467  12.761   0.324  -1.730
  822    HB2  PHE 467           HB2      PHE 467  12.130   2.344  -0.646
  823    HB3  PHE 467           HB1      PHE 467  11.304   2.940  -2.079
  824    HD1  PHE 467           HD2      PHE 467  11.158   0.261   0.495
  825    HD2  PHE 467           HD1      PHE 467   9.017   2.624  -2.327
  826    HE1  PHE 467           HE2      PHE 467   9.038  -0.628   1.363
  827    HE2  PHE 467           HE1      PHE 467   6.893   1.736  -1.459
  828    HZ   PHE 467           HZ       PHE 467   6.902   0.110   0.387
  829    H    PHE 468           H        PHE 468  11.123   2.158  -4.335
  830    HA   PHE 468           HA       PHE 468   9.075   0.246  -4.630
  831    HB2  PHE 468           HB2      PHE 468   9.986   2.507  -6.389
  832    HB3  PHE 468           HB1      PHE 468   8.639   1.462  -6.832
  833    HD1  PHE 468           HD1      PHE 468   6.716   1.258  -5.165
  834    HD2  PHE 468           HD2      PHE 468   9.650   4.330  -4.989
  835    HE1  PHE 468           HE1      PHE 468   5.204   2.616  -3.780
  836    HE2  PHE 468           HE2      PHE 468   8.144   5.695  -3.606
  837    HZ   PHE 468           HZ       PHE 468   5.918   4.838  -2.998
  838    H    ASP 469           H        ASP 469  12.176   0.600  -6.304
  839    HA   ASP 469           HA       ASP 469  11.668  -1.362  -8.276
  840    HB2  ASP 469           HB2      ASP 469  13.580   0.113  -8.498
  841    HB3  ASP 469           HB1      ASP 469  14.284  -0.521  -7.013
  842    H    LYS 470           H        LYS 470  12.951  -1.551  -4.990
  843    HA   LYS 470           HA       LYS 470  13.437  -4.345  -5.046
  844    HB2  LYS 470           HB2      LYS 470  12.966  -2.488  -2.711
  845    HB3  LYS 470           HB1      LYS 470  13.485  -4.162  -2.562
  846    HG2  LYS 470           HG2      LYS 470  15.486  -3.586  -3.930
  847    HG3  LYS 470           HG1      LYS 470  14.983  -1.896  -3.852
  848    HD2  LYS 470           HD2      LYS 470  15.148  -1.938  -1.429
  849    HD3  LYS 470           HD1      LYS 470  15.579  -3.651  -1.472
  850    HE2  LYS 470           HE2      LYS 470  17.566  -3.059  -2.832
  851    HE3  LYS 470           HE1      LYS 470  17.159  -1.357  -2.622
  852    HZ1  LYS 470           HZ1      LYS 470  17.795  -3.264  -0.433
  853    HZ2  LYS 470           HZ2      LYS 470  17.421  -1.620  -0.236
  854    HZ3  LYS 470           HZ3      LYS 470  18.837  -2.075  -1.049
  855    H    VAL 471           H        VAL 471  10.631  -2.387  -4.201
  856    HA   VAL 471           HA       VAL 471   8.997  -4.461  -3.205
  857    HB   VAL 471           HB       VAL 471   8.195  -1.940  -4.680
  858   HG11  VAL 471          1HG1      VAL 471   6.402  -3.601  -4.731
  859   HG12  VAL 471          2HG1      VAL 471   5.988  -2.250  -3.676
  860   HG13  VAL 471          3HG1      VAL 471   6.514  -3.781  -2.980
  861   HG21  VAL 471          3HG2      VAL 471   9.456  -1.533  -2.620
  862   HG22  VAL 471          1HG2      VAL 471   8.309  -2.531  -1.726
  863   HG23  VAL 471          2HG2      VAL 471   7.774  -1.023  -2.468
  864    H    ARG 472           H        ARG 472   9.511  -3.201  -6.460
  865    HA   ARG 472           HA       ARG 472   7.669  -4.791  -7.829
  866    HB2  ARG 472           HB2      ARG 472   8.814  -2.840  -8.801
  867    HB3  ARG 472           HB1      ARG 472  10.334  -3.717  -8.783
  868    HG2  ARG 472           HG2      ARG 472   8.090  -4.973 -10.243
  869    HG3  ARG 472           HG1      ARG 472   8.787  -3.513 -10.944
  870    HD2  ARG 472           HD2      ARG 472  10.276  -6.030 -10.202
  871    HD3  ARG 472           HD1      ARG 472   9.873  -5.500 -11.834
  872    HE   ARG 472           HE       ARG 472  11.632  -3.907 -10.083
  873   HH11  ARG 472          1HH1      ARG 472  10.975  -5.501 -13.137
  874   HH12  ARG 472          2HH1      ARG 472  12.437  -4.930 -13.891
  875   HH21  ARG 472          1HH2      ARG 472  13.548  -3.136 -11.076
  876   HH22  ARG 472          2HH2      ARG 472  13.897  -3.594 -12.725
  877    H    LYS 473           H        LYS 473  11.055  -5.401  -6.984
  878    HA   LYS 473           HA       LYS 473  11.129  -7.965  -8.245
  879    HB2  LYS 473           HB2      LYS 473  13.170  -6.668  -7.923
  880    HB3  LYS 473           HB1      LYS 473  12.954  -6.724  -6.179
  881    HG2  LYS 473           HG2      LYS 473  14.646  -8.304  -6.872
  882    HG3  LYS 473           HG1      LYS 473  13.241  -9.155  -6.227
  883    HD2  LYS 473           HD2      LYS 473  12.454  -9.475  -8.580
  884    HD3  LYS 473           HD1      LYS 473  13.987  -8.790  -9.127
  885    HE2  LYS 473           HE2      LYS 473  13.686 -11.247  -7.401
  886    HE3  LYS 473           HE1      LYS 473  14.003 -11.251  -9.135
  887    HZ1  LYS 473           HZ1      LYS 473  15.794  -9.937  -7.167
  888    HZ2  LYS 473           HZ2      LYS 473  16.113 -10.282  -8.799
  889    HZ3  LYS 473           HZ3      LYS 473  15.992 -11.544  -7.671
  890    H    ALA 474           H        ALA 474  10.469  -6.812  -4.995
  891    HA   ALA 474           HA       ALA 474  10.631  -9.298  -3.661
  892    HB1  ALA 474           HB1      ALA 474   9.049  -6.854  -2.875
  893    HB2  ALA 474           HB2      ALA 474  10.754  -7.126  -2.520
  894    HB3  ALA 474           HB3      ALA 474   9.528  -8.181  -1.816
  895    H    LEU 475           H        LEU 475   7.826  -7.469  -4.880
  896    HA   LEU 475           HA       LEU 475   5.963  -9.528  -4.204
  897    HB2  LEU 475           HB2      LEU 475   5.815  -7.027  -5.840
  898    HB3  LEU 475           HB1      LEU 475   4.521  -8.202  -5.943
  899    HG   LEU 475           HG       LEU 475   4.068  -7.978  -3.558
  900   HD11  LEU 475          1HD1      LEU 475   6.296  -5.949  -3.554
  901   HD12  LEU 475          2HD1      LEU 475   6.298  -7.511  -2.729
  902   HD13  LEU 475          3HD1      LEU 475   5.176  -6.245  -2.225
  903   HD21  LEU 475          3HD2      LEU 475   4.236  -5.312  -4.957
  904   HD22  LEU 475          1HD2      LEU 475   3.235  -5.678  -3.553
  905   HD23  LEU 475          2HD2      LEU 475   2.920  -6.477  -5.093
  906    H    ARG 476           H        ARG 476   7.685  -8.592  -7.128
  907    HA   ARG 476           HA       ARG 476   8.499  -9.857  -8.813
  908    HB2  ARG 476           HB2      ARG 476   8.975 -11.576  -7.181
  909    HB3  ARG 476           HB1      ARG 476   7.318 -12.154  -7.259
  910    HG2  ARG 476           HG2      ARG 476   7.621 -12.972  -9.469
  911    HG3  ARG 476           HG1      ARG 476   9.194 -12.182  -9.606
  912    HD2  ARG 476           HD2      ARG 476  10.104 -13.612  -7.883
  913    HD3  ARG 476           HD1      ARG 476   8.524 -14.349  -7.622
  914    HE   ARG 476           HE       ARG 476   8.817 -15.625  -9.511
  915   HH11  ARG 476          1HH1      ARG 476  11.336 -13.206  -9.328
  916   HH12  ARG 476          2HH1      ARG 476  12.323 -13.945 -10.549
  917   HH21  ARG 476          1HH2      ARG 476  10.096 -16.607 -11.102
  918   HH22  ARG 476          2HH2      ARG 476  11.618 -15.901 -11.554
  919    H    SER 477           H        SER 477   5.343 -11.251  -7.986
  920    HA   SER 477           HA       SER 477   4.659 -11.806 -10.674
  921    HB2  SER 477           HB2      SER 477   2.898 -11.550  -8.225
  922    HB3  SER 477           HB1      SER 477   2.440 -12.312  -9.746
  923    HG   SER 477           HG       SER 477   3.201 -13.764  -8.046
  924    H    ALA 478           H        ALA 478   3.442 -10.676 -12.146
  925    HA   ALA 478           HA       ALA 478   3.442  -7.884 -12.079
  926    HB1  ALA 478           HB1      ALA 478   3.314  -9.154 -14.155
  927    HB2  ALA 478           HB2      ALA 478   1.993  -7.990 -14.046
  928    HB3  ALA 478           HB3      ALA 478   1.692  -9.700 -13.733
  929    H    GLU 479           H        GLU 479   0.822 -10.178 -11.397
  930    HA   GLU 479           HA       GLU 479  -1.175  -8.239 -10.895
  931    HB2  GLU 479           HB2      GLU 479  -1.732 -10.569 -11.340
  932    HB3  GLU 479           HB1      GLU 479  -0.894 -11.074  -9.879
  933    HG2  GLU 479           HG2      GLU 479  -2.527  -9.782  -8.546
  934    HG3  GLU 479           HG1      GLU 479  -3.396  -9.409 -10.034
  935    H    ALA 480           H        ALA 480   1.196  -9.821  -8.838
  936    HA   ALA 480           HA       ALA 480   0.232  -8.919  -6.359
  937    HB1  ALA 480           HB1      ALA 480   1.876 -10.719  -6.576
  938    HB2  ALA 480           HB2      ALA 480   2.444  -9.448  -5.492
  939    HB3  ALA 480           HB3      ALA 480   3.075  -9.554  -7.135
  940    H    TYR 481           H        TYR 481   2.793  -7.577  -8.459
  941    HA   TYR 481           HA       TYR 481   3.245  -5.292  -6.845
  942    HB2  TYR 481           HB2      TYR 481   4.863  -6.129  -8.538
  943    HB3  TYR 481           HB1      TYR 481   3.766  -5.602  -9.810
  944    HD1  TYR 481           HD2      TYR 481   5.546  -4.263  -6.817
  945    HD2  TYR 481           HD1      TYR 481   4.061  -3.493 -10.730
  946    HE1  TYR 481           HE2      TYR 481   6.555  -2.022  -6.752
  947    HE2  TYR 481           HE1      TYR 481   5.063  -1.250 -10.675
  948    HH   TYR 481           HH       TYR 481   5.814   0.392  -9.047
  949    H    GLU 482           H        GLU 482   1.117  -5.934  -9.581
  950    HA   GLU 482           HA       GLU 482   0.117  -3.348  -9.948
  951    HB2  GLU 482           HB2      GLU 482  -0.322  -5.356 -11.415
  952    HB3  GLU 482           HB1      GLU 482  -1.470  -5.910 -10.205
  953    HG2  GLU 482           HG2      GLU 482  -2.731  -3.799 -10.514
  954    HG3  GLU 482           HG1      GLU 482  -1.628  -3.382 -11.824
  955    H    ASN 483           H        ASN 483  -0.830  -5.927  -7.716
  956    HA   ASN 483           HA       ASN 483  -3.088  -4.707  -6.629
  957    HB2  ASN 483           HB2      ASN 483  -2.306  -7.111  -6.356
  958    HB3  ASN 483           HB1      ASN 483  -1.208  -6.513  -5.113
  959   HD21  ASN 483          1HD2      ASN 483  -2.061  -5.692  -3.191
  960   HD22  ASN 483          2HD2      ASN 483  -3.677  -6.039  -2.707
  961    H    PHE 484           H        PHE 484   0.314  -4.616  -5.569
  962    HA   PHE 484           HA       PHE 484   0.101  -2.897  -3.411
  963    HB2  PHE 484           HB2      PHE 484   2.206  -3.928  -4.000
  964    HB3  PHE 484           HB1      PHE 484   2.237  -3.090  -5.545
  965    HD1  PHE 484           HD1      PHE 484   2.411  -2.564  -1.882
  966    HD2  PHE 484           HD2      PHE 484   3.231  -0.994  -5.756
  967    HE1  PHE 484           HE1      PHE 484   3.722  -0.751  -0.864
  968    HE2  PHE 484           HE2      PHE 484   4.540   0.826  -4.738
  969    HZ   PHE 484           HZ       PHE 484   4.789   0.949  -2.295
  970    H    LEU 485           H        LEU 485   0.322  -2.117  -6.855
  971    HA   LEU 485           HA       LEU 485   0.291   0.688  -6.516
  972    HB2  LEU 485           HB2      LEU 485  -0.471  -0.979  -8.910
  973    HB3  LEU 485           HB1      LEU 485  -0.205   0.754  -8.931
  974    HG   LEU 485           HG       LEU 485   1.870  -1.347  -8.305
  975   HD11  LEU 485          1HD1      LEU 485   1.548   0.485 -10.670
  976   HD12  LEU 485          2HD1      LEU 485   1.275  -1.258 -10.660
  977   HD13  LEU 485          3HD1      LEU 485   2.896  -0.618 -10.388
  978   HD21  LEU 485          3HD2      LEU 485   2.244   0.695  -7.017
  979   HD22  LEU 485          1HD2      LEU 485   2.143   1.650  -8.496
  980   HD23  LEU 485          2HD2      LEU 485   3.462   0.500  -8.279
  981    H    ARG 486           H        ARG 486  -2.300  -1.695  -6.878
  982    HA   ARG 486           HA       ARG 486  -4.425   0.147  -7.138
  983    HB2  ARG 486           HB2      ARG 486  -4.229  -2.676  -6.209
  984    HB3  ARG 486           HB1      ARG 486  -5.670  -1.778  -5.766
  985    HG2  ARG 486           HG2      ARG 486  -6.210  -2.925  -7.738
  986    HG3  ARG 486           HG1      ARG 486  -5.938  -1.250  -8.225
  987    HD2  ARG 486           HD2      ARG 486  -4.315  -1.858  -9.603
  988    HD3  ARG 486           HD1      ARG 486  -3.475  -2.705  -8.308
  989    HE   ARG 486           HE       ARG 486  -4.793  -3.903 -10.450
  990   HH11  ARG 486          1HH1      ARG 486  -4.888  -4.249  -6.948
  991   HH12  ARG 486          2HH1      ARG 486  -5.032  -5.974  -7.003
  992   HH21  ARG 486          1HH2      ARG 486  -4.952  -6.142 -10.521
  993   HH22  ARG 486          2HH2      ARG 486  -5.087  -7.055  -9.045
  994    H    CYS 487           H        CYS 487  -2.684  -1.108  -4.339
  995    HA   CYS 487           HA       CYS 487  -4.327   0.073  -2.371
  996    HB2  CYS 487           HB2      CYS 487  -1.365  -0.527  -2.207
  997    HB3  CYS 487           HB1      CYS 487  -2.462  -0.302  -0.847
  998    HG   CYS 487           HG       CYS 487  -2.659  -2.875  -3.102
  999    H    LEU 488           H        LEU 488  -1.604   1.238  -4.263
 1000    HA   LEU 488           HA       LEU 488  -1.176   3.641  -2.858
 1001    HB2  LEU 488           HB2      LEU 488  -0.629   2.957  -5.746
 1002    HB3  LEU 488           HB1      LEU 488  -0.053   4.398  -4.939
 1003    HG   LEU 488           HG       LEU 488   0.766   1.552  -4.423
 1004   HD11  LEU 488          1HD1      LEU 488   2.981   2.386  -4.957
 1005   HD12  LEU 488          2HD1      LEU 488   2.341   4.017  -5.159
 1006   HD13  LEU 488          3HD1      LEU 488   1.863   2.735  -6.276
 1007   HD21  LEU 488          3HD2      LEU 488   0.448   2.632  -2.270
 1008   HD22  LEU 488          1HD2      LEU 488   1.416   4.008  -2.802
 1009   HD23  LEU 488          2HD2      LEU 488   2.168   2.422  -2.607
 1010    H    VAL 489           H        VAL 489  -3.127   2.941  -5.766
 1011    HA   VAL 489           HA       VAL 489  -3.902   5.628  -6.145
 1012    HB   VAL 489           HB       VAL 489  -5.762   4.710  -7.568
 1013   HG11  VAL 489          1HG1      VAL 489  -2.955   3.757  -8.113
 1014   HG12  VAL 489          2HG1      VAL 489  -3.631   5.333  -8.526
 1015   HG13  VAL 489          3HG1      VAL 489  -4.239   3.879  -9.315
 1016   HG21  VAL 489          3HG2      VAL 489  -5.631   2.314  -8.162
 1017   HG22  VAL 489          1HG2      VAL 489  -6.139   2.584  -6.494
 1018   HG23  VAL 489          2HG2      VAL 489  -4.484   2.078  -6.840
 1019    H    ILE 490           H        ILE 490  -5.511   2.957  -4.396
 1020    HA   ILE 490           HA       ILE 490  -7.833   4.510  -3.859
 1021    HB   ILE 490           HB       ILE 490  -8.468   2.840  -2.209
 1022   HG12  ILE 490          2HG1      ILE 490  -5.777   1.568  -2.748
 1023   HG13  ILE 490          1HG1      ILE 490  -6.237   2.390  -1.258
 1024   HG21  ILE 490          1HG2      ILE 490  -8.598   0.921  -3.698
 1025   HG22  ILE 490          2HG2      ILE 490  -7.340   1.619  -4.719
 1026   HG23  ILE 490          3HG2      ILE 490  -8.902   2.425  -4.567
 1027   HD11  ILE 490          3HD1      ILE 490  -7.423  -0.139  -2.372
 1028   HD12  ILE 490          1HD1      ILE 490  -8.049   0.722  -0.964
 1029   HD13  ILE 490          2HD1      ILE 490  -6.424   0.032  -0.928
 1030    H    PHE 491           H        PHE 491  -4.763   4.135  -2.175
 1031    HA   PHE 491           HA       PHE 491  -5.543   5.577   0.144
 1032    HB2  PHE 491           HB2      PHE 491  -3.524   4.314   0.287
 1033    HB3  PHE 491           HB1      PHE 491  -2.847   5.104  -1.134
 1034    HD1  PHE 491           HD1      PHE 491  -3.972   5.792   2.348
 1035    HD2  PHE 491           HD2      PHE 491  -1.474   6.960  -0.894
 1036    HE1  PHE 491           HE1      PHE 491  -2.900   7.480   3.782
 1037    HE2  PHE 491           HE2      PHE 491  -0.396   8.646   0.536
 1038    HZ   PHE 491           HZ       PHE 491  -1.114   8.912   2.876
 1039    H    ASN 492           H        ASN 492  -4.095   6.513  -2.927
 1040    HA   ASN 492           HA       ASN 492  -3.625   9.219  -2.321
 1041    HB2  ASN 492           HB2      ASN 492  -2.634   7.996  -4.250
 1042    HB3  ASN 492           HB1      ASN 492  -4.213   7.999  -5.028
 1043   HD21  ASN 492          1HD2      ASN 492  -3.634   9.206  -6.782
 1044   HD22  ASN 492          2HD2      ASN 492  -3.167  10.870  -6.680
 1045    H    GLN 493           H        GLN 493  -6.437   7.553  -3.619
 1046    HA   GLN 493           HA       GLN 493  -7.821  10.042  -4.152
 1047    HB2  GLN 493           HB2      GLN 493  -8.787   7.189  -4.385
 1048    HB3  GLN 493           HB1      GLN 493  -9.622   8.612  -4.994
 1049    HG2  GLN 493           HG2      GLN 493  -7.778   9.043  -6.531
 1050    HG3  GLN 493           HG1      GLN 493  -6.932   7.624  -5.915
 1051   HE21  GLN 493          1HE2      GLN 493  -7.761   8.164  -8.613
 1052   HE22  GLN 493          2HE2      GLN 493  -8.837   6.888  -9.065
 1053    H    GLU 494           H        GLU 494  -7.133   8.859  -1.346
 1054    HA   GLU 494           HA       GLU 494  -7.988   9.130   0.745
 1055    HB2  GLU 494           HB2      GLU 494  -9.133  11.152  -0.821
 1056    HB3  GLU 494           HB1      GLU 494 -10.466  10.476   0.098
 1057    HG2  GLU 494           HG2      GLU 494  -7.894  11.425   1.329
 1058    HG3  GLU 494           HG1      GLU 494  -9.333  12.424   1.156
 1059    H    VAL 495           H        VAL 495  -8.607   6.742  -0.627
 1060    HA   VAL 495           HA       VAL 495 -11.390   6.187   0.078
 1061    HB   VAL 495           HB       VAL 495  -9.387   4.462  -1.386
 1062   HG11  VAL 495          1HG1      VAL 495 -12.325   4.031  -0.858
 1063   HG12  VAL 495          2HG1      VAL 495 -10.984   3.076  -0.222
 1064   HG13  VAL 495          3HG1      VAL 495 -11.339   3.060  -1.950
 1065   HG21  VAL 495          3HG2      VAL 495 -10.036   6.387  -2.702
 1066   HG22  VAL 495          1HG2      VAL 495 -11.743   6.055  -2.396
 1067   HG23  VAL 495          2HG2      VAL 495 -10.784   4.933  -3.361
 1068    H    ILE 496           H        ILE 496  -8.107   5.333   1.013
 1069    HA   ILE 496           HA       ILE 496  -9.264   3.803   3.246
 1070    HB   ILE 496           HB       ILE 496  -7.257   2.368   3.267
 1071   HG12  ILE 496          2HG1      ILE 496  -6.616   3.671   0.611
 1072   HG13  ILE 496          1HG1      ILE 496  -5.733   3.944   2.110
 1073   HG21  ILE 496          1HG2      ILE 496  -7.853   1.007   1.308
 1074   HG22  ILE 496          2HG2      ILE 496  -8.791   2.357   0.672
 1075   HG23  ILE 496          3HG2      ILE 496  -9.275   1.577   2.180
 1076   HD11  ILE 496          3HD1      ILE 496  -4.548   2.391   0.691
 1077   HD12  ILE 496          1HD1      ILE 496  -5.961   1.337   0.626
 1078   HD13  ILE 496          2HD1      ILE 496  -5.107   1.573   2.151
 1079    H    SER 497           H        SER 497  -8.128   3.870   5.222
 1080    HA   SER 497           HA       SER 497  -6.852   6.390   5.736
 1081    HB2  SER 497           HB2      SER 497  -7.367   4.041   7.573
 1082    HB3  SER 497           HB1      SER 497  -6.868   5.656   8.078
 1083    HG   SER 497           HG       SER 497  -8.886   6.172   8.057
 1084    H    ARG 498           H        ARG 498  -4.854   6.477   7.064
 1085    HA   ARG 498           HA       ARG 498  -2.640   5.423   5.770
 1086    HB2  ARG 498           HB2      ARG 498  -2.638   7.372   7.301
 1087    HB3  ARG 498           HB1      ARG 498  -2.833   6.283   8.661
 1088    HG2  ARG 498           HG2      ARG 498  -0.645   5.225   8.027
 1089    HG3  ARG 498           HG1      ARG 498  -0.458   6.523   6.833
 1090    HD2  ARG 498           HD2      ARG 498  -0.511   6.705   9.823
 1091    HD3  ARG 498           HD1      ARG 498   0.677   7.352   8.691
 1092    HE   ARG 498           HE       ARG 498  -1.659   8.676   8.087
 1093   HH11  ARG 498          1HH1      ARG 498   0.321   8.288  10.955
 1094   HH12  ARG 498          2HH1      ARG 498  -0.156   9.805  11.645
 1095   HH21  ARG 498          1HH2      ARG 498  -2.291  10.684   9.013
 1096   HH22  ARG 498          2HH2      ARG 498  -1.632  11.158  10.553
 1097    H    ALA 499           H        ALA 499  -4.033   4.397   8.880
 1098    HA   ALA 499           HA       ALA 499  -2.339   2.232   9.349
 1099    HB1  ALA 499           HB1      ALA 499  -3.815   3.197  11.048
 1100    HB2  ALA 499           HB2      ALA 499  -4.034   1.451  10.918
 1101    HB3  ALA 499           HB3      ALA 499  -5.217   2.547  10.201
 1102    H    GLU 500           H        GLU 500  -5.490   2.344   7.732
 1103    HA   GLU 500           HA       GLU 500  -5.852  -0.358   7.233
 1104    HB2  GLU 500           HB2      GLU 500  -6.665   1.969   5.478
 1105    HB3  GLU 500           HB1      GLU 500  -7.338   0.346   5.402
 1106    HG2  GLU 500           HG2      GLU 500  -7.489   2.109   7.837
 1107    HG3  GLU 500           HG1      GLU 500  -8.742   2.031   6.603
 1108    H    LEU 501           H        LEU 501  -4.219   2.077   5.217
 1109    HA   LEU 501           HA       LEU 501  -3.484   0.413   3.089
 1110    HB2  LEU 501           HB2      LEU 501  -3.297   2.810   2.918
 1111    HB3  LEU 501           HB1      LEU 501  -2.144   2.860   4.237
 1112    HG   LEU 501           HG       LEU 501  -0.538   1.588   2.807
 1113   HD11  LEU 501          1HD1      LEU 501  -0.943   1.455   0.414
 1114   HD12  LEU 501          2HD1      LEU 501  -2.558   2.125   0.637
 1115   HD13  LEU 501          3HD1      LEU 501  -2.158   0.543   1.309
 1116   HD21  LEU 501          3HD2      LEU 501  -1.538   4.216   1.720
 1117   HD22  LEU 501          1HD2      LEU 501   0.041   3.501   1.383
 1118   HD23  LEU 501          2HD2      LEU 501  -0.371   3.996   3.025
 1119    H    VAL 502           H        VAL 502  -1.665   1.319   5.992
 1120    HA   VAL 502           HA       VAL 502   0.658  -0.151   5.460
 1121    HB   VAL 502           HB       VAL 502  -0.527   0.627   8.136
 1122   HG11  VAL 502          1HG1      VAL 502   2.297  -0.117   7.406
 1123   HG12  VAL 502          2HG1      VAL 502   1.199  -1.047   8.428
 1124   HG13  VAL 502          3HG1      VAL 502   1.776   0.536   8.960
 1125   HG21  VAL 502          3HG2      VAL 502   0.919   2.579   7.990
 1126   HG22  VAL 502          1HG2      VAL 502  -0.208   2.529   6.634
 1127   HG23  VAL 502          2HG2      VAL 502   1.476   2.060   6.398
 1128    H    GLN 503           H        GLN 503  -2.368  -1.039   7.000
 1129    HA   GLN 503           HA       GLN 503  -1.593  -3.585   7.962
 1130    HB2  GLN 503           HB2      GLN 503  -4.244  -2.331   7.302
 1131    HB3  GLN 503           HB1      GLN 503  -4.127  -3.993   7.857
 1132    HG2  GLN 503           HG2      GLN 503  -3.499  -3.392   9.975
 1133    HG3  GLN 503           HG1      GLN 503  -2.820  -1.852   9.451
 1134   HE21  GLN 503          1HE2      GLN 503  -5.938  -2.881   8.357
 1135   HE22  GLN 503          2HE2      GLN 503  -6.860  -1.708   9.240
 1136    H    LEU 504           H        LEU 504  -3.024  -2.531   4.886
 1137    HA   LEU 504           HA       LEU 504  -3.629  -5.143   3.953
 1138    HB2  LEU 504           HB2      LEU 504  -3.179  -2.610   2.374
 1139    HB3  LEU 504           HB1      LEU 504  -3.859  -4.090   1.732
 1140    HG   LEU 504           HG       LEU 504  -5.097  -2.391   3.895
 1141   HD11  LEU 504          1HD1      LEU 504  -6.773  -1.871   2.199
 1142   HD12  LEU 504          2HD1      LEU 504  -5.865  -2.804   1.009
 1143   HD13  LEU 504          3HD1      LEU 504  -5.169  -1.336   1.698
 1144   HD21  LEU 504          3HD2      LEU 504  -6.093  -4.872   2.503
 1145   HD22  LEU 504          1HD2      LEU 504  -7.028  -3.878   3.619
 1146   HD23  LEU 504          2HD2      LEU 504  -5.609  -4.747   4.193
 1147    H    VAL 505           H        VAL 505  -0.829  -3.055   3.560
 1148    HA   VAL 505           HA       VAL 505   0.396  -4.888   1.683
 1149    HB   VAL 505           HB       VAL 505   0.579  -2.340   1.628
 1150   HG11  VAL 505          1HG1      VAL 505   2.640  -2.882   3.754
 1151   HG12  VAL 505          2HG1      VAL 505   1.154  -1.950   3.940
 1152   HG13  VAL 505          3HG1      VAL 505   2.440  -1.360   2.886
 1153   HG21  VAL 505          3HG2      VAL 505   2.842  -2.396   0.699
 1154   HG22  VAL 505          1HG2      VAL 505   1.877  -3.771   0.164
 1155   HG23  VAL 505          2HG2      VAL 505   3.096  -3.984   1.424
 1156    H    SER 506           H        SER 506  -0.014  -5.042   4.887
 1157    HA   SER 506           HA       SER 506   2.501  -5.522   5.990
 1158    HB2  SER 506           HB2      SER 506   0.368  -5.242   7.279
 1159    HB3  SER 506           HB1      SER 506  -0.077  -6.883   6.814
 1160    HG   SER 506           HG       SER 506   1.956  -7.531   7.842
 1161    HA   PRO 507           HA       PRO 507   1.981 -10.251   4.863
 1162    HB2  PRO 507           HB2      PRO 507   0.089 -10.047   2.588
 1163    HB3  PRO 507           HB1      PRO 507   0.194 -11.272   3.857
 1164    HG2  PRO 507           HG2      PRO 507  -1.768  -9.476   3.877
 1165    HG3  PRO 507           HG1      PRO 507  -0.980  -9.967   5.390
 1166    HD2  PRO 507           HD2      PRO 507  -0.567  -7.487   3.757
 1167    HD3  PRO 507           HD1      PRO 507  -0.693  -7.662   5.520
 1168    H    PHE 508           H        PHE 508   1.781  -7.627   2.576
 1169    HA   PHE 508           HA       PHE 508   3.192  -8.944   0.475
 1170    HB2  PHE 508           HB2      PHE 508   2.422  -6.075   0.965
 1171    HB3  PHE 508           HB1      PHE 508   3.376  -6.558  -0.434
 1172    HD1  PHE 508           HD1      PHE 508   0.133  -7.204   1.285
 1173    HD2  PHE 508           HD2      PHE 508   2.335  -7.313  -2.359
 1174    HE1  PHE 508           HE1      PHE 508  -1.936  -7.752   0.056
 1175    HE2  PHE 508           HE2      PHE 508   0.277  -7.858  -3.589
 1176    HZ   PHE 508           HZ       PHE 508  -1.856  -8.078  -2.382
 1177    H    LEU 509           H        LEU 509   4.127  -6.244   2.636
 1178    HA   LEU 509           HA       LEU 509   6.907  -6.712   1.811
 1179    HB2  LEU 509           HB2      LEU 509   5.694  -4.310   3.177
 1180    HB3  LEU 509           HB1      LEU 509   7.351  -4.449   2.624
 1181    HG   LEU 509           HG       LEU 509   4.892  -4.397   0.878
 1182   HD11  LEU 509          1HD1      LEU 509   5.814  -2.273   0.090
 1183   HD12  LEU 509          2HD1      LEU 509   7.120  -2.408   1.266
 1184   HD13  LEU 509          3HD1      LEU 509   5.454  -2.231   1.816
 1185   HD21  LEU 509          3HD2      LEU 509   6.571  -5.865  -0.079
 1186   HD22  LEU 509          1HD2      LEU 509   7.806  -4.623   0.135
 1187   HD23  LEU 509          2HD2      LEU 509   6.476  -4.362  -0.996
 1188    H    GLY 510           H        GLY 510   4.855  -7.336   4.387
 1189    HA2  GLY 510           HA2      GLY 510   6.451  -6.713   6.620
 1190    HA3  GLY 510           HA1      GLY 510   5.160  -7.902   6.587
 1191    H    LYS 511           H        LYS 511   6.677  -9.328   4.370
 1192    HA   LYS 511           HA       LYS 511   8.300 -10.951   6.111
 1193    HB2  LYS 511           HB2      LYS 511   8.700 -12.305   4.017
 1194    HB3  LYS 511           HB1      LYS 511   7.033 -12.193   4.558
 1195    HG2  LYS 511           HG2      LYS 511   6.554 -10.544   2.875
 1196    HG3  LYS 511           HG1      LYS 511   8.245 -10.526   2.367
 1197    HD2  LYS 511           HD2      LYS 511   8.098 -12.841   1.672
 1198    HD3  LYS 511           HD1      LYS 511   6.442 -12.944   2.269
 1199    HE2  LYS 511           HE2      LYS 511   7.378 -11.112   0.067
 1200    HE3  LYS 511           HE1      LYS 511   6.589 -12.669  -0.187
 1201    HZ1  LYS 511           HZ1      LYS 511   4.641 -11.817   0.998
 1202    HZ2  LYS 511           HZ2      LYS 511   5.008 -10.879  -0.362
 1203    HZ3  LYS 511           HZ3      LYS 511   5.402 -10.309   1.177
 1204    H    PHE 512           H        PHE 512   8.847  -8.133   4.589
 1205    HA   PHE 512           HA       PHE 512  11.745  -8.666   4.474
 1206    HB2  PHE 512           HB2      PHE 512  10.282  -6.593   2.817
 1207    HB3  PHE 512           HB1      PHE 512  11.985  -7.022   2.718
 1208    HD1  PHE 512           HD1      PHE 512  12.548  -9.420   1.990
 1209    HD2  PHE 512           HD2      PHE 512   8.727  -7.628   1.449
 1210    HE1  PHE 512           HE1      PHE 512  12.033 -11.061   0.233
 1211    HE2  PHE 512           HE2      PHE 512   8.203  -9.264  -0.312
 1212    HZ   PHE 512           HZ       PHE 512   9.858 -10.986  -0.919
 1213    HA   PRO 513           HA       PRO 513  10.845  -6.061   8.129
 1214    HB2  PRO 513           HB2      PRO 513  13.579  -6.098   8.831
 1215    HB3  PRO 513           HB1      PRO 513  12.300  -7.122   9.485
 1216    HG2  PRO 513           HG2      PRO 513  14.291  -7.707   7.357
 1217    HG3  PRO 513           HG1      PRO 513  13.552  -8.800   8.540
 1218    HD2  PRO 513           HD2      PRO 513  12.814  -8.818   5.967
 1219    HD3  PRO 513           HD1      PRO 513  11.635  -9.079   7.269
 1220    H    GLU 514           H        GLU 514  13.722  -5.564   6.063
 1221    HA   GLU 514           HA       GLU 514  14.066  -2.850   6.835
 1222    HB2  GLU 514           HB2      GLU 514  15.905  -4.164   5.901
 1223    HB3  GLU 514           HB1      GLU 514  15.043  -4.320   4.377
 1224    HG2  GLU 514           HG2      GLU 514  15.129  -1.829   4.172
 1225    HG3  GLU 514           HG1      GLU 514  16.190  -1.816   5.580
 1226    H    LEU 515           H        LEU 515  12.511  -4.413   4.080
 1227    HA   LEU 515           HA       LEU 515  12.011  -2.029   2.643
 1228    HB2  LEU 515           HB2      LEU 515  12.090  -4.460   1.815
 1229    HB3  LEU 515           HB1      LEU 515  10.440  -4.579   2.389
 1230    HG   LEU 515           HG       LEU 515   9.805  -2.736   0.861
 1231   HD11  LEU 515          1HD1      LEU 515  11.373  -2.087  -0.909
 1232   HD12  LEU 515          2HD1      LEU 515  12.638  -3.036  -0.129
 1233   HD13  LEU 515          3HD1      LEU 515  11.960  -1.628   0.689
 1234   HD21  LEU 515          3HD2      LEU 515   9.969  -4.063  -1.203
 1235   HD22  LEU 515          1HD2      LEU 515   9.485  -5.041   0.184
 1236   HD23  LEU 515          2HD2      LEU 515  11.142  -5.119  -0.414
 1237    H    PHE 516           H        PHE 516  10.049  -4.016   4.821
 1238    HA   PHE 516           HA       PHE 516   7.675  -2.500   4.535
 1239    HB2  PHE 516           HB2      PHE 516   7.804  -4.835   5.431
 1240    HB3  PHE 516           HB1      PHE 516   8.507  -4.182   6.906
 1241    HD1  PHE 516           HD2      PHE 516   5.595  -3.244   4.750
 1242    HD2  PHE 516           HD1      PHE 516   7.011  -4.210   8.649
 1243    HE1  PHE 516           HE2      PHE 516   3.335  -2.889   5.655
 1244    HE2  PHE 516           HE1      PHE 516   4.752  -3.854   9.556
 1245    HZ   PHE 516           HZ       PHE 516   2.913  -3.193   8.061
 1246    H    ASN 517           H        ASN 517  10.406  -2.324   6.776
 1247    HA   ASN 517           HA       ASN 517   9.292  -0.327   8.449
 1248    HB2  ASN 517           HB2      ASN 517  11.191  -1.703   9.163
 1249    HB3  ASN 517           HB1      ASN 517  12.198  -0.981   7.915
 1250   HD21  ASN 517          1HD2      ASN 517  10.545  -0.433  10.943
 1251   HD22  ASN 517          2HD2      ASN 517  11.415   1.001  11.379
 1252    H    TRP 518           H        TRP 518  11.270  -0.197   5.521
 1253    HA   TRP 518           HA       TRP 518  11.734   2.551   5.378
 1254    HB2  TRP 518           HB2      TRP 518  12.609   0.728   3.822
 1255    HB3  TRP 518           HB1      TRP 518  11.054   0.792   3.009
 1256    HD1  TRP 518           HD1      TRP 518  14.424   2.297   2.955
 1257    HE1  TRP 518           HE1      TRP 518  14.510   4.275   1.303
 1258    HE3  TRP 518           HE3      TRP 518   9.404   2.941   2.164
 1259    HZ2  TRP 518           HZ2      TRP 518  12.705   5.891  -0.116
 1260    HZ3  TRP 518           HZ3      TRP 518   8.675   4.729   0.645
 1261    HH2  TRP 518           HH2      TRP 518  10.295   6.173  -0.472
 1262    H    PHE 519           H        PHE 519   9.008   0.637   4.142
 1263    HA   PHE 519           HA       PHE 519   7.490   2.711   3.076
 1264    HB2  PHE 519           HB2      PHE 519   7.125   0.284   2.707
 1265    HB3  PHE 519           HB1      PHE 519   6.527   0.144   4.356
 1266    HD1  PHE 519           HD1      PHE 519   5.896   2.071   1.231
 1267    HD2  PHE 519           HD2      PHE 519   4.264   0.256   4.714
 1268    HE1  PHE 519           HE1      PHE 519   3.638   2.583   0.431
 1269    HE2  PHE 519           HE2      PHE 519   1.998   0.769   3.921
 1270    HZ   PHE 519           HZ       PHE 519   1.673   1.934   1.777
 1271    H    LYS 520           H        LYS 520   7.440   1.283   6.323
 1272    HA   LYS 520           HA       LYS 520   5.353   2.858   7.369
 1273    HB2  LYS 520           HB2      LYS 520   7.692   1.546   8.764
 1274    HB3  LYS 520           HB1      LYS 520   6.286   2.214   9.584
 1275    HG2  LYS 520           HG2      LYS 520   4.851   0.578   8.667
 1276    HG3  LYS 520           HG1      LYS 520   6.073   0.055   7.508
 1277    HD2  LYS 520           HD2      LYS 520   5.921  -1.562   9.284
 1278    HD3  LYS 520           HD1      LYS 520   7.470  -0.725   9.391
 1279    HE2  LYS 520           HE2      LYS 520   6.512   0.742  11.134
 1280    HE3  LYS 520           HE1      LYS 520   5.017  -0.193  11.062
 1281    HZ1  LYS 520           HZ1      LYS 520   7.695  -1.233  11.821
 1282    HZ2  LYS 520           HZ2      LYS 520   6.286  -2.170  11.702
 1283    HZ3  LYS 520           HZ3      LYS 520   6.398  -0.954  12.875
 1284    H    ASN 521           H        ASN 521   8.858   3.320   7.327
 1285    HA   ASN 521           HA       ASN 521   8.913   5.691   8.879
 1286    HB2  ASN 521           HB2      ASN 521  10.852   4.112   8.260
 1287    HB3  ASN 521           HB1      ASN 521  10.918   4.980   6.734
 1288   HD21  ASN 521          1HD2      ASN 521  10.221   7.556   8.042
 1289   HD22  ASN 521          2HD2      ASN 521  11.672   8.051   8.851
 1290    H    PHE 522           H        PHE 522   8.527   5.047   5.447
 1291    HA   PHE 522           HA       PHE 522   8.786   7.703   4.526
 1292    HB2  PHE 522           HB2      PHE 522   8.864   5.643   3.101
 1293    HB3  PHE 522           HB1      PHE 522   7.126   5.487   3.309
 1294    HD1  PHE 522           HD2      PHE 522   9.576   8.124   2.308
 1295    HD2  PHE 522           HD1      PHE 522   5.839   6.229   1.563
 1296    HE1  PHE 522           HE2      PHE 522   9.238   9.569   0.350
 1297    HE2  PHE 522           HE1      PHE 522   5.498   7.670  -0.401
 1298    HZ   PHE 522           HZ       PHE 522   7.197   9.343  -1.009
 1299    H    LEU 523           H        LEU 523   5.994   5.798   5.566
 1300    HA   LEU 523           HA       LEU 523   4.112   7.911   5.067
 1301    HB2  LEU 523           HB2      LEU 523   3.842   5.364   6.662
 1302    HB3  LEU 523           HB1      LEU 523   2.519   6.432   6.237
 1303    HG   LEU 523           HG       LEU 523   4.225   4.991   4.208
 1304   HD11  LEU 523          1HD1      LEU 523   2.991   3.400   5.572
 1305   HD12  LEU 523          2HD1      LEU 523   2.315   3.500   3.945
 1306   HD13  LEU 523          3HD1      LEU 523   1.503   4.304   5.288
 1307   HD21  LEU 523          3HD2      LEU 523   2.437   5.574   2.669
 1308   HD22  LEU 523          1HD2      LEU 523   3.137   7.025   3.385
 1309   HD23  LEU 523          2HD2      LEU 523   1.583   6.420   3.960
 1310    H    GLY 524           H        GLY 524   6.301   7.242   7.561
 1311    HA2  GLY 524           HA2      GLY 524   6.688   8.403   9.531
 1312    HA3  GLY 524           HA1      GLY 524   5.256   9.371   9.193
 1313    H    TYR 525           H        TYR 525   4.832   6.016   8.996
 1314    HA   TYR 525           HA       TYR 525   3.064   6.060  11.293
 1315    HB2  TYR 525           HB2      TYR 525   2.404   5.028   9.104
 1316    HB3  TYR 525           HB1      TYR 525   3.645   3.807   9.351
 1317    HD1  TYR 525           HD2      TYR 525   0.421   5.103  10.598
 1318    HD2  TYR 525           HD1      TYR 525   3.264   1.946  10.797
 1319    HE1  TYR 525           HE2      TYR 525  -1.203   3.727  11.831
 1320    HE2  TYR 525           HE1      TYR 525   1.650   0.563  12.028
 1321    HH   TYR 525           HH       TYR 525  -0.323   0.844  13.422
 1322    H    LYS 526           H        LYS 526   4.076   5.846  13.192
 1323    HA   LYS 526           HA       LYS 526   6.419   4.124  13.387
 1324    HB2  LYS 526           HB2      LYS 526   5.193   6.024  15.393
 1325    HB3  LYS 526           HB1      LYS 526   6.658   5.090  15.658
 1326    HG2  LYS 526           HG2      LYS 526   7.759   6.256  13.832
 1327    HG3  LYS 526           HG1      LYS 526   6.283   7.166  13.509
 1328    HD2  LYS 526           HD2      LYS 526   7.864   8.505  14.794
 1329    HD3  LYS 526           HD1      LYS 526   6.411   8.167  15.737
 1330    HE2  LYS 526           HE2      LYS 526   7.602   6.333  16.868
 1331    HE3  LYS 526           HE1      LYS 526   9.060   6.740  15.962
 1332    HZ1  LYS 526           HZ1      LYS 526   8.987   7.676  18.236
 1333    HZ2  LYS 526           HZ2      LYS 526   7.656   8.621  17.780
 1334    HZ3  LYS 526           HZ3      LYS 526   9.158   8.856  17.031
 1335    H    GLU 527           H        GLU 527   5.952   2.069  13.618
 1336    HA   GLU 527           HA       GLU 527   4.291   1.271  15.889
 1337    HB2  GLU 527           HB2      GLU 527   2.997   1.247  13.635
 1338    HB3  GLU 527           HB1      GLU 527   3.993  -0.149  13.252
 1339    HG2  GLU 527           HG2      GLU 527   1.853  -0.847  14.124
 1340    HG3  GLU 527           HG1      GLU 527   3.146  -1.295  15.238
 1341    H    SER 528           H        SER 528   6.612   1.099  16.524
 1342    HA   SER 528           HA       SER 528   8.496  -0.070  16.982
 1343    HB2  SER 528           HB2      SER 528   6.898  -2.438  15.970
 1344    HB3  SER 528           HB1      SER 528   8.372  -2.524  16.934
 1345    HG   SER 528           HG       SER 528   5.781  -2.021  17.711
  Start of MODEL    7
    1    H1   SER 127           HT1      SER 127  15.679 -31.253   1.577
    2    H2   SER 127           HT2      SER 127  15.955 -30.897  -0.054
    3    H3   SER 127           HT3      SER 127  15.944 -29.649   1.093
    4    HA   SER 127           HA       SER 127  18.188 -30.162   0.457
    5    HB2  SER 127           HB2      SER 127  17.646 -29.485   2.811
    6    HB3  SER 127           HB1      SER 127  17.583 -31.192   3.247
    7    HG   SER 127           HG       SER 127  19.800 -29.598   2.532
    8    H    ASN 128           H        ASN 128  19.999 -31.789   0.969
    9    HA   ASN 128           HA       ASN 128  19.567 -34.127  -0.511
   10    HB2  ASN 128           HB2      ASN 128  21.770 -32.955  -0.061
   11    HB3  ASN 128           HB1      ASN 128  21.767 -33.716   1.523
   12   HD21  ASN 128          1HD2      ASN 128  23.746 -34.031  -0.455
   13   HD22  ASN 128          2HD2      ASN 128  23.767 -35.698  -0.928
   14    H    ALA 129           H        ALA 129  20.075 -33.768   2.997
   15    HA   ALA 129           HA       ALA 129  18.523 -36.212   3.442
   16    HB1  ALA 129           HB1      ALA 129  21.278 -35.750   4.591
   17    HB2  ALA 129           HB2      ALA 129  20.875 -36.912   3.327
   18    HB3  ALA 129           HB3      ALA 129  20.221 -37.114   4.953
   19    H    GLY 130           H        GLY 130  18.962 -36.421   6.183
   20    HA2  GLY 130           HA2      GLY 130  17.282 -34.441   7.267
   21    HA3  GLY 130           HA1      GLY 130  18.267 -35.560   8.198
   22    H    SER 131           H        SER 131  20.774 -34.681   7.089
   23    HA   SER 131           HA       SER 131  21.359 -32.471   8.754
   24    HB2  SER 131           HB2      SER 131  22.989 -33.542   6.436
   25    HB3  SER 131           HB1      SER 131  23.584 -32.583   7.794
   26    HG   SER 131           HG       SER 131  24.046 -34.645   8.333
   27    H    ASP 132           H        ASP 132  20.403 -30.573   8.326
   28    HA   ASP 132           HA       ASP 132  19.686 -29.697   5.732
   29    HB2  ASP 132           HB2      ASP 132  19.022 -27.617   6.785
   30    HB3  ASP 132           HB1      ASP 132  18.515 -28.964   7.794
   31    H    ASP 133           H        ASP 133  20.432 -27.636   4.763
   32    HA   ASP 133           HA       ASP 133  23.267 -27.886   4.340
   33    HB2  ASP 133           HB2      ASP 133  21.232 -25.998   3.134
   34    HB3  ASP 133           HB1      ASP 133  22.908 -26.125   2.612
   35    H    ASP 134           H        ASP 134  21.512 -26.294   6.595
   36    HA   ASP 134           HA       ASP 134  21.831 -24.584   8.033
   37    HB2  ASP 134           HB2      ASP 134  24.043 -25.757   8.304
   38    HB3  ASP 134           HB1      ASP 134  24.726 -24.610   7.158
   39    H    GLY 135           H        GLY 135  20.532 -23.168   6.879
   40    HA2  GLY 135           HA2      GLY 135  21.861 -20.790   5.976
   41    HA3  GLY 135           HA1      GLY 135  21.106 -21.679   4.659
   42    H    GLY 136           H        GLY 136  20.642 -19.558   7.284
   43    HA2  GLY 136           HA2      GLY 136  17.728 -19.587   6.768
   44    HA3  GLY 136           HA1      GLY 136  18.395 -19.341   8.376
   45    H    ASP 137           H        ASP 137  19.908 -17.993   5.560
   46    HA   ASP 137           HA       ASP 137  19.617 -15.329   6.638
   47    HB2  ASP 137           HB2      ASP 137  21.754 -15.846   5.688
   48    HB3  ASP 137           HB1      ASP 137  21.020 -16.423   4.195
   49    H    SER 138           H        SER 138  18.638 -17.070   3.720
   50    HA   SER 138           HA       SER 138  16.260 -15.485   3.472
   51    HB2  SER 138           HB2      SER 138  16.928 -14.801   1.067
   52    HB3  SER 138           HB1      SER 138  17.593 -13.868   2.407
   53    HG   SER 138           HG       SER 138  19.538 -14.906   2.176
   54    HA   PRO 139           HA       PRO 139  15.086 -19.296   1.515
   55    HB2  PRO 139           HB2      PRO 139  12.648 -18.575   0.623
   56    HB3  PRO 139           HB1      PRO 139  12.979 -18.850   2.337
   57    HG2  PRO 139           HG2      PRO 139  12.779 -16.271   0.837
   58    HG3  PRO 139           HG1      PRO 139  12.162 -16.683   2.447
   59    HD2  PRO 139           HD2      PRO 139  14.475 -15.282   2.024
   60    HD3  PRO 139           HD1      PRO 139  14.180 -16.282   3.459
   61    H    VAL 140           H        VAL 140  14.122 -19.989  -0.653
   62    HA   VAL 140           HA       VAL 140  15.675 -18.645  -2.727
   63    HB   VAL 140           HB       VAL 140  15.167 -20.715  -4.061
   64   HG11  VAL 140          1HG1      VAL 140  16.724 -22.140  -2.829
   65   HG12  VAL 140          2HG1      VAL 140  16.509 -21.142  -1.392
   66   HG13  VAL 140          3HG1      VAL 140  17.264 -20.462  -2.833
   67   HG21  VAL 140          3HG2      VAL 140  14.326 -22.679  -2.837
   68   HG22  VAL 140          1HG2      VAL 140  13.118 -21.398  -2.955
   69   HG23  VAL 140          2HG2      VAL 140  13.991 -21.650  -1.444
   70    H    GLN 141           H        GLN 141  13.297 -17.372  -1.868
   71    HA   GLN 141           HA       GLN 141  11.335 -16.469  -2.553
   72    HB2  GLN 141           HB2      GLN 141  12.617 -16.993  -5.241
   73    HB3  GLN 141           HB1      GLN 141  11.094 -16.137  -5.063
   74    HG2  GLN 141           HG2      GLN 141  12.721 -14.470  -5.266
   75    HG3  GLN 141           HG1      GLN 141  12.335 -14.530  -3.549
   76   HE21  GLN 141          1HE2      GLN 141  14.286 -13.631  -2.942
   77   HE22  GLN 141          2HE2      GLN 141  15.780 -14.500  -3.033
   78    H    ASP 142           H        ASP 142  10.463 -18.497  -1.582
   79    HA   ASP 142           HA       ASP 142   9.491 -20.521  -3.385
   80    HB2  ASP 142           HB2      ASP 142   8.933 -20.069  -0.446
   81    HB3  ASP 142           HB1      ASP 142   8.481 -21.505  -1.359
   82    H    ILE 143           H        ILE 143   8.485 -17.471  -2.745
   83    HA   ILE 143           HA       ILE 143   5.672 -17.858  -2.426
   84    HB   ILE 143           HB       ILE 143   6.951 -15.366  -3.527
   85   HG12  ILE 143          2HG1      ILE 143   6.595 -16.024  -0.599
   86   HG13  ILE 143          1HG1      ILE 143   8.137 -16.110  -1.447
   87   HG21  ILE 143          1HG2      ILE 143   5.066 -14.256  -2.433
   88   HG22  ILE 143          2HG2      ILE 143   4.476 -15.818  -1.865
   89   HG23  ILE 143          3HG2      ILE 143   4.522 -15.466  -3.594
   90   HD11  ILE 143          3HD1      ILE 143   7.899 -14.032  -0.185
   91   HD12  ILE 143          1HD1      ILE 143   6.461 -13.630  -1.124
   92   HD13  ILE 143          2HD1      ILE 143   8.032 -13.732  -1.918
   93    H    ASP 144           H        ASP 144   4.125 -17.978  -3.922
   94    HA   ASP 144           HA       ASP 144   4.909 -18.031  -6.745
   95    HB2  ASP 144           HB2      ASP 144   2.298 -18.844  -5.435
   96    HB3  ASP 144           HB1      ASP 144   2.735 -19.092  -7.120
   97    H    THR 145           H        THR 145   2.261 -16.878  -4.708
   98    HA   THR 145           HA       THR 145   2.385 -14.208  -5.721
   99    HB   THR 145           HB       THR 145   0.017 -15.934  -6.501
  100    HG1  THR 145           HG1      THR 145   2.180 -15.522  -7.805
  101   HG21  THR 145          3HG2      THR 145  -0.749 -13.753  -5.676
  102   HG22  THR 145          1HG2      THR 145  -0.987 -13.898  -7.416
  103   HG23  THR 145          2HG2      THR 145   0.357 -12.944  -6.788
  104    HA   PRO 146           HA       PRO 146   0.678 -14.177  -1.539
  105    HB2  PRO 146           HB2      PRO 146   1.291 -11.335  -1.552
  106    HB3  PRO 146           HB1      PRO 146   2.015 -12.617  -0.580
  107    HG2  PRO 146           HG2      PRO 146   3.350 -11.299  -2.556
  108    HG3  PRO 146           HG1      PRO 146   3.718 -12.961  -2.064
  109    HD2  PRO 146           HD2      PRO 146   2.155 -11.983  -4.422
  110    HD3  PRO 146           HD1      PRO 146   3.304 -13.333  -4.311
  111    H    GLU 147           H        GLU 147  -1.154 -13.140  -0.572
  112    HA   GLU 147           HA       GLU 147  -2.886 -11.804  -2.542
  113    HB2  GLU 147           HB2      GLU 147  -4.793 -13.003  -1.401
  114    HB3  GLU 147           HB1      GLU 147  -3.716 -14.013  -2.356
  115    HG2  GLU 147           HG2      GLU 147  -2.647 -14.858  -0.408
  116    HG3  GLU 147           HG1      GLU 147  -3.477 -13.693   0.626
  117    H    VAL 148           H        VAL 148  -4.232 -10.201  -1.811
  118    HA   VAL 148           HA       VAL 148  -3.658  -9.187   0.868
  119    HB   VAL 148           HB       VAL 148  -3.348  -7.562  -0.899
  120   HG11  VAL 148          1HG1      VAL 148  -6.235  -8.040  -1.621
  121   HG12  VAL 148          2HG1      VAL 148  -4.829  -8.491  -2.585
  122   HG13  VAL 148          3HG1      VAL 148  -5.196  -6.789  -2.302
  123   HG21  VAL 148          3HG2      VAL 148  -5.821  -6.995   0.730
  124   HG22  VAL 148          1HG2      VAL 148  -4.853  -5.782  -0.110
  125   HG23  VAL 148          2HG2      VAL 148  -4.149  -6.709   1.215
  126    H    ASP 149           H        ASP 149  -5.089  -9.374   2.460
  127    HA   ASP 149           HA       ASP 149  -7.437 -10.904   2.047
  128    HB2  ASP 149           HB2      ASP 149  -6.622  -9.437   4.546
  129    HB3  ASP 149           HB1      ASP 149  -7.757 -10.777   4.442
  130    H    LEU 150           H        LEU 150  -6.777  -7.606   2.379
  131    HA   LEU 150           HA       LEU 150  -7.988  -5.680   2.351
  132    HB2  LEU 150           HB2      LEU 150  -9.901  -7.524   0.951
  133    HB3  LEU 150           HB1      LEU 150 -10.272  -5.830   1.213
  134    HG   LEU 150           HG       LEU 150  -7.876  -6.852  -0.319
  135   HD11  LEU 150          1HD1      LEU 150  -9.060  -6.059  -2.295
  136   HD12  LEU 150          2HD1      LEU 150 -10.455  -5.640  -1.299
  137   HD13  LEU 150          3HD1      LEU 150  -9.972  -7.328  -1.476
  138   HD21  LEU 150          3HD2      LEU 150  -8.994  -4.066  -0.020
  139   HD22  LEU 150          1HD2      LEU 150  -7.602  -4.534  -1.000
  140   HD23  LEU 150          2HD2      LEU 150  -7.530  -4.672   0.758
  141    H    TYR 151           H        TYR 151  -8.576  -8.014   4.425
  142    HA   TYR 151           HA       TYR 151 -11.102  -7.245   5.541
  143    HB2  TYR 151           HB2      TYR 151  -9.566  -9.453   5.787
  144    HB3  TYR 151           HB1      TYR 151  -9.059  -8.589   7.232
  145    HD1  TYR 151           HD2      TYR 151 -11.953 -10.085   5.498
  146    HD2  TYR 151           HD1      TYR 151 -10.489  -8.436   9.139
  147    HE1  TYR 151           HE2      TYR 151 -13.947 -10.915   6.668
  148    HE2  TYR 151           HE1      TYR 151 -12.483  -9.266  10.320
  149    HH   TYR 151           HH       TYR 151 -14.702 -11.471   8.848
  150    H    GLN 152           H        GLN 152  -7.834  -6.270   5.753
  151    HA   GLN 152           HA       GLN 152  -7.725  -5.045   8.260
  152    HB2  GLN 152           HB2      GLN 152  -6.229  -4.158   5.791
  153    HB3  GLN 152           HB1      GLN 152  -5.750  -3.918   7.463
  154    HG2  GLN 152           HG2      GLN 152  -4.405  -5.653   6.885
  155    HG3  GLN 152           HG1      GLN 152  -5.789  -6.535   7.529
  156   HE21  GLN 152          1HE2      GLN 152  -3.925  -5.765   4.740
  157   HE22  GLN 152          2HE2      GLN 152  -4.699  -6.865   3.656
  158    H    LEU 153           H        LEU 153  -9.423  -4.065   5.466
  159    HA   LEU 153           HA       LEU 153  -9.170  -1.234   5.913
  160    HB2  LEU 153           HB2      LEU 153 -11.117  -2.676   4.120
  161    HB3  LEU 153           HB1      LEU 153 -10.689  -0.979   4.051
  162    HG   LEU 153           HG       LEU 153  -8.964  -3.333   3.298
  163   HD11  LEU 153          1HD1      LEU 153  -9.963  -0.954   1.744
  164   HD12  LEU 153          2HD1      LEU 153 -10.588  -2.600   1.627
  165   HD13  LEU 153          3HD1      LEU 153  -8.935  -2.245   1.121
  166   HD21  LEU 153          3HD2      LEU 153  -8.202  -0.425   3.471
  167   HD22  LEU 153          1HD2      LEU 153  -7.219  -1.711   2.772
  168   HD23  LEU 153          2HD2      LEU 153  -7.591  -1.725   4.497
  169    H    GLN 154           H        GLN 154 -10.706  -3.398   7.701
  170    HA   GLN 154           HA       GLN 154 -12.542  -3.479   9.057
  171    HB2  GLN 154           HB2      GLN 154 -12.400  -0.481   8.703
  172    HB3  GLN 154           HB1      GLN 154 -13.290  -1.312   9.972
  173    HG2  GLN 154           HG2      GLN 154 -10.336  -1.675   9.636
  174    HG3  GLN 154           HG1      GLN 154 -10.994  -0.301  10.516
  175   HE21  GLN 154          1HE2      GLN 154 -12.540  -3.436  10.591
  176   HE22  GLN 154          2HE2      GLN 154 -12.139  -3.799  12.234
  177    H    VAL 155           H        VAL 155 -14.969  -2.250   9.182
  178    HA   VAL 155           HA       VAL 155 -16.143  -2.765   6.606
  179    HB   VAL 155           HB       VAL 155 -18.266  -1.782   7.725
  180   HG11  VAL 155          1HG1      VAL 155 -17.990  -4.131   7.275
  181   HG12  VAL 155          2HG1      VAL 155 -18.683  -3.923   8.884
  182   HG13  VAL 155          3HG1      VAL 155 -16.975  -4.320   8.704
  183   HG21  VAL 155          3HG2      VAL 155 -17.001  -0.723   9.609
  184   HG22  VAL 155          1HG2      VAL 155 -16.677  -2.344  10.219
  185   HG23  VAL 155          2HG2      VAL 155 -18.337  -1.761  10.109
  186    H    ASN 156           H        ASN 156 -15.268   0.068   8.466
  187    HA   ASN 156           HA       ASN 156 -16.744   1.995   7.106
  188    HB2  ASN 156           HB2      ASN 156 -15.710   2.528   9.204
  189    HB3  ASN 156           HB1      ASN 156 -14.105   2.223   8.551
  190   HD21  ASN 156          1HD2      ASN 156 -13.054   3.809   7.491
  191   HD22  ASN 156          2HD2      ASN 156 -13.689   5.400   7.246
  192    H    THR 157           H        THR 157 -13.344   1.044   6.503
  193    HA   THR 157           HA       THR 157 -13.065   2.880   4.351
  194    HB   THR 157           HB       THR 157 -11.345   0.488   5.021
  195    HG1  THR 157           HG1      THR 157 -10.055   2.202   6.066
  196   HG21  THR 157          3HG2      THR 157  -9.577   1.719   3.839
  197   HG22  THR 157          1HG2      THR 157 -10.741   2.971   3.409
  198   HG23  THR 157          2HG2      THR 157 -10.925   1.337   2.769
  199    H    LEU 158           H        LEU 158 -13.891  -0.558   4.529
  200    HA   LEU 158           HA       LEU 158 -13.801  -1.100   1.762
  201    HB2  LEU 158           HB2      LEU 158 -15.496  -2.290   3.956
  202    HB3  LEU 158           HB1      LEU 158 -15.487  -2.899   2.313
  203    HG   LEU 158           HG       LEU 158 -13.101  -2.835   4.163
  204   HD11  LEU 158          1HD1      LEU 158 -14.826  -5.126   3.238
  205   HD12  LEU 158          2HD1      LEU 158 -14.760  -4.461   4.871
  206   HD13  LEU 158          3HD1      LEU 158 -13.348  -5.270   4.190
  207   HD21  LEU 158          3HD2      LEU 158 -13.424  -4.024   1.411
  208   HD22  LEU 158          1HD2      LEU 158 -12.008  -4.187   2.450
  209   HD23  LEU 158          2HD2      LEU 158 -12.462  -2.602   1.821
  210    H    ARG 159           H        ARG 159 -16.338   0.184   3.842
  211    HA   ARG 159           HA       ARG 159 -18.321   0.339   1.814
  212    HB2  ARG 159           HB2      ARG 159 -18.025   1.714   4.479
  213    HB3  ARG 159           HB1      ARG 159 -19.417   1.951   3.431
  214    HG2  ARG 159           HG2      ARG 159 -19.961  -0.401   3.577
  215    HG3  ARG 159           HG1      ARG 159 -18.519  -0.693   4.552
  216    HD2  ARG 159           HD2      ARG 159 -19.389   0.750   6.301
  217    HD3  ARG 159           HD1      ARG 159 -20.808   1.112   5.320
  218    HE   ARG 159           HE       ARG 159 -20.288  -1.671   6.056
  219   HH11  ARG 159          1HH1      ARG 159 -22.211   1.229   6.378
  220   HH12  ARG 159          2HH1      ARG 159 -23.497   0.440   7.246
  221   HH21  ARG 159          1HH2      ARG 159 -21.982  -2.724   7.182
  222   HH22  ARG 159          2HH2      ARG 159 -23.374  -1.816   7.691
  223    H    ARG 160           H        ARG 160 -15.750   2.478   2.887
  224    HA   ARG 160           HA       ARG 160 -16.628   4.762   1.454
  225    HB2  ARG 160           HB2      ARG 160 -14.957   4.903   3.266
  226    HB3  ARG 160           HB1      ARG 160 -13.812   4.013   2.272
  227    HG2  ARG 160           HG2      ARG 160 -13.859   5.818   0.615
  228    HG3  ARG 160           HG1      ARG 160 -14.981   6.714   1.636
  229    HD2  ARG 160           HD2      ARG 160 -12.218   5.860   2.473
  230    HD3  ARG 160           HD1      ARG 160 -12.618   7.450   1.833
  231    HE   ARG 160           HE       ARG 160 -14.192   6.692   4.121
  232   HH11  ARG 160          1HH1      ARG 160 -11.208   8.162   3.026
  233   HH12  ARG 160          2HH1      ARG 160 -10.972   9.076   4.485
  234   HH21  ARG 160          1HH2      ARG 160 -13.898   7.885   6.034
  235   HH22  ARG 160          2HH2      ARG 160 -12.511   8.923   6.209
  236    H    TYR 161           H        TYR 161 -14.365   2.121   0.694
  237    HA   TYR 161           HA       TYR 161 -13.636   2.801  -1.866
  238    HB2  TYR 161           HB2      TYR 161 -12.843   0.800  -0.609
  239    HB3  TYR 161           HB1      TYR 161 -14.395   0.027  -0.916
  240    HD1  TYR 161           HD1      TYR 161 -14.977  -0.731  -3.181
  241    HD2  TYR 161           HD2      TYR 161 -11.183   0.991  -2.331
  242    HE1  TYR 161           HE1      TYR 161 -14.110  -1.605  -5.308
  243    HE2  TYR 161           HE2      TYR 161 -10.305   0.120  -4.455
  244    HH   TYR 161           HH       TYR 161 -10.796  -1.660  -6.058
  245    H    LYS 162           H        LYS 162 -16.529   0.980  -0.885
  246    HA   LYS 162           HA       LYS 162 -17.662   0.725  -3.442
  247    HB2  LYS 162           HB2      LYS 162 -18.884   0.758  -0.693
  248    HB3  LYS 162           HB1      LYS 162 -19.842   0.497  -2.144
  249    HG2  LYS 162           HG2      LYS 162 -18.556  -1.479  -2.673
  250    HG3  LYS 162           HG1      LYS 162 -17.516  -1.197  -1.273
  251    HD2  LYS 162           HD2      LYS 162 -19.305  -1.599   0.240
  252    HD3  LYS 162           HD1      LYS 162 -20.495  -1.577  -1.063
  253    HE2  LYS 162           HE2      LYS 162 -19.970  -3.855  -0.276
  254    HE3  LYS 162           HE1      LYS 162 -19.590  -3.610  -1.981
  255    HZ1  LYS 162           HZ1      LYS 162 -17.610  -3.462   0.225
  256    HZ2  LYS 162           HZ2      LYS 162 -17.283  -3.365  -1.429
  257    HZ3  LYS 162           HZ3      LYS 162 -17.843  -4.814  -0.764
  258    H    ARG 163           H        ARG 163 -18.047   3.235  -0.996
  259    HA   ARG 163           HA       ARG 163 -20.150   4.592  -2.334
  260    HB2  ARG 163           HB2      ARG 163 -19.621   4.670   0.117
  261    HB3  ARG 163           HB1      ARG 163 -18.243   5.687  -0.270
  262    HG2  ARG 163           HG2      ARG 163 -19.734   7.384  -1.174
  263    HG3  ARG 163           HG1      ARG 163 -21.126   6.353  -0.819
  264    HD2  ARG 163           HD2      ARG 163 -20.477   6.394   1.575
  265    HD3  ARG 163           HD1      ARG 163 -19.191   7.531   1.172
  266    HE   ARG 163           HE       ARG 163 -21.850   8.337   0.363
  267   HH11  ARG 163          1HH1      ARG 163 -19.407   8.429   2.863
  268   HH12  ARG 163          2HH1      ARG 163 -20.033   9.870   3.614
  269   HH21  ARG 163          1HH2      ARG 163 -22.698  10.224   1.350
  270   HH22  ARG 163          2HH2      ARG 163 -21.889  10.909   2.727
  271    H    HIS 164           H        HIS 164 -16.643   4.976  -2.282
  272    HA   HIS 164           HA       HIS 164 -16.719   7.465  -3.728
  273    HB2  HIS 164           HB2      HIS 164 -14.944   6.855  -2.055
  274    HB3  HIS 164           HB1      HIS 164 -14.320   5.702  -3.229
  275    HD1  HIS 164           HD1      HIS 164 -14.603   9.388  -2.558
  276    HD2  HIS 164           HD2      HIS 164 -12.877   6.821  -5.350
  277    HE1  HIS 164           HE1      HIS 164 -13.027  10.807  -3.911
  278    HE2  HIS 164           HE2      HIS 164 -12.112   9.272  -5.690
  279    H    PHE 165           H        PHE 165 -16.171   4.075  -4.537
  280    HA   PHE 165           HA       PHE 165 -15.543   4.798  -7.292
  281    HB2  PHE 165           HB2      PHE 165 -15.465   2.206  -5.775
  282    HB3  PHE 165           HB1      PHE 165 -15.368   2.236  -7.532
  283    HD1  PHE 165           HD2      PHE 165 -13.463   3.275  -8.651
  284    HD2  PHE 165           HD1      PHE 165 -13.631   2.892  -4.416
  285    HE1  PHE 165           HE2      PHE 165 -11.044   3.689  -8.526
  286    HE2  PHE 165           HE1      PHE 165 -11.211   3.310  -4.283
  287    HZ   PHE 165           HZ       PHE 165  -9.914   3.709  -6.336
  288    H    LYS 166           H        LYS 166 -18.268   4.506  -5.588
  289    HA   LYS 166           HA       LYS 166 -20.454   4.210  -6.050
  290    HB2  LYS 166           HB2      LYS 166 -19.479   4.518  -8.892
  291    HB3  LYS 166           HB1      LYS 166 -21.175   4.475  -8.435
  292    HG2  LYS 166           HG2      LYS 166 -19.169   6.512  -7.490
  293    HG3  LYS 166           HG1      LYS 166 -20.368   6.763  -8.759
  294    HD2  LYS 166           HD2      LYS 166 -22.156   6.327  -7.119
  295    HD3  LYS 166           HD1      LYS 166 -20.934   6.149  -5.858
  296    HE2  LYS 166           HE2      LYS 166 -20.223   8.449  -6.190
  297    HE3  LYS 166           HE1      LYS 166 -21.380   8.636  -7.508
  298    HZ1  LYS 166           HZ1      LYS 166 -22.015   8.163  -4.641
  299    HZ2  LYS 166           HZ2      LYS 166 -23.165   8.177  -5.887
  300    HZ3  LYS 166           HZ3      LYS 166 -22.292   9.586  -5.527
  301    H    LEU 167           H        LEU 167 -20.240   2.092  -5.168
  302    HA   LEU 167           HA       LEU 167 -20.747   0.012  -7.189
  303    HB2  LEU 167           HB2      LEU 167 -19.496  -0.251  -4.453
  304    HB3  LEU 167           HB1      LEU 167 -19.983  -1.612  -5.441
  305    HG   LEU 167           HG       LEU 167 -17.891   0.414  -6.239
  306   HD11  LEU 167          1HD1      LEU 167 -17.587  -2.388  -5.163
  307   HD12  LEU 167          2HD1      LEU 167 -17.141  -0.897  -4.333
  308   HD13  LEU 167          3HD1      LEU 167 -16.283  -1.385  -5.795
  309   HD21  LEU 167          3HD2      LEU 167 -18.701  -2.222  -7.460
  310   HD22  LEU 167          1HD2      LEU 167 -17.362  -1.203  -7.994
  311   HD23  LEU 167          2HD2      LEU 167 -19.022  -0.622  -8.130
  312    HA   PRO 168           HA       PRO 168 -24.777   0.509  -5.122
  313    HB2  PRO 168           HB2      PRO 168 -26.073  -1.109  -6.944
  314    HB3  PRO 168           HB1      PRO 168 -25.845   0.631  -7.138
  315    HG2  PRO 168           HG2      PRO 168 -24.294  -1.628  -8.321
  316    HG3  PRO 168           HG1      PRO 168 -24.776  -0.091  -9.060
  317    HD2  PRO 168           HD2      PRO 168 -22.270  -0.532  -8.175
  318    HD3  PRO 168           HD1      PRO 168 -23.034   1.069  -8.076
  319    H    THR 169           H        THR 169 -25.320  -0.691  -3.430
  320    HA   THR 169           HA       THR 169 -24.881  -3.592  -3.552
  321    HB   THR 169           HB       THR 169 -24.201  -3.404  -1.096
  322    HG1  THR 169           HG1      THR 169 -24.438  -0.732  -1.804
  323   HG21  THR 169          3HG2      THR 169 -22.359  -2.187  -3.161
  324   HG22  THR 169          1HG2      THR 169 -22.630  -3.916  -2.931
  325   HG23  THR 169          2HG2      THR 169 -21.875  -2.967  -1.653
  326    H    ARG 170           H        ARG 170 -26.405  -4.855  -2.672
  327    HA   ARG 170           HA       ARG 170 -28.950  -3.795  -2.039
  328    HB2  ARG 170           HB2      ARG 170 -29.650  -6.042  -1.641
  329    HB3  ARG 170           HB1      ARG 170 -28.501  -6.103  -2.969
  330    HG2  ARG 170           HG2      ARG 170 -27.618  -6.603  -0.152
  331    HG3  ARG 170           HG1      ARG 170 -28.368  -7.880  -1.109
  332    HD2  ARG 170           HD2      ARG 170 -25.989  -6.314  -2.076
  333    HD3  ARG 170           HD1      ARG 170 -25.828  -7.780  -1.112
  334    HE   ARG 170           HE       ARG 170 -27.490  -8.071  -3.456
  335   HH11  ARG 170          1HH1      ARG 170 -24.229  -8.268  -2.186
  336   HH12  ARG 170          2HH1      ARG 170 -23.680  -9.360  -3.417
  337   HH21  ARG 170          1HH2      ARG 170 -26.786  -9.520  -5.050
  338   HH22  ARG 170          2HH2      ARG 170 -25.136 -10.084  -5.043
  339    HA   PRO 171           HA       PRO 171 -28.600  -2.835   2.270
  340    HB2  PRO 171           HB2      PRO 171 -31.368  -3.844   2.535
  341    HB3  PRO 171           HB1      PRO 171 -30.720  -2.238   2.885
  342    HG2  PRO 171           HG2      PRO 171 -32.269  -2.673   0.749
  343    HG3  PRO 171           HG1      PRO 171 -30.900  -1.545   0.685
  344    HD2  PRO 171           HD2      PRO 171 -31.098  -4.349  -0.353
  345    HD3  PRO 171           HD1      PRO 171 -30.335  -2.924  -1.092
  346    H    GLY 172           H        GLY 172 -27.662  -4.003   3.810
  347    HA2  GLY 172           HA2      GLY 172 -27.946  -5.762   5.495
  348    HA3  GLY 172           HA1      GLY 172 -28.582  -6.783   4.209
  349    H    LEU 173           H        LEU 173 -25.711  -4.710   4.514
  350    HA   LEU 173           HA       LEU 173 -24.117  -6.790   3.256
  351    HB2  LEU 173           HB2      LEU 173 -23.432  -3.978   4.112
  352    HB3  LEU 173           HB1      LEU 173 -22.315  -5.068   3.309
  353    HG   LEU 173           HG       LEU 173 -24.906  -4.059   2.125
  354   HD11  LEU 173          1HD1      LEU 173 -23.465  -2.730   0.661
  355   HD12  LEU 173          2HD1      LEU 173 -22.050  -3.273   1.562
  356   HD13  LEU 173          3HD1      LEU 173 -23.268  -2.275   2.354
  357   HD21  LEU 173          3HD2      LEU 173 -24.060  -5.034   0.045
  358   HD22  LEU 173          1HD2      LEU 173 -24.271  -6.267   1.288
  359   HD23  LEU 173          2HD2      LEU 173 -22.657  -5.667   0.907
  360    H    ASN 174           H        ASN 174 -21.938  -7.254   4.147
  361    HA   ASN 174           HA       ASN 174 -21.736  -7.097   7.051
  362    HB2  ASN 174           HB2      ASN 174 -22.848  -9.259   6.505
  363    HB3  ASN 174           HB1      ASN 174 -21.471  -9.685   5.495
  364   HD21  ASN 174          1HD2      ASN 174 -20.962 -11.484   6.671
  365   HD22  ASN 174          2HD2      ASN 174 -20.289 -11.396   8.266
  366    H    LYS 175           H        LYS 175 -19.507  -7.828   7.752
  367    HA   LYS 175           HA       LYS 175 -17.513  -6.350   6.570
  368    HB2  LYS 175           HB2      LYS 175 -17.452  -7.327   8.849
  369    HB3  LYS 175           HB1      LYS 175 -17.159  -8.907   8.141
  370    HG2  LYS 175           HG2      LYS 175 -15.071  -8.098   8.864
  371    HG3  LYS 175           HG1      LYS 175 -15.084  -7.935   7.106
  372    HD2  LYS 175           HD2      LYS 175 -15.616  -5.578   7.303
  373    HD3  LYS 175           HD1      LYS 175 -15.698  -5.719   9.061
  374    HE2  LYS 175           HE2      LYS 175 -13.576  -4.812   8.577
  375    HE3  LYS 175           HE1      LYS 175 -13.300  -6.507   8.975
  376    HZ1  LYS 175           HZ1      LYS 175 -13.214  -6.988   6.598
  377    HZ2  LYS 175           HZ2      LYS 175 -12.020  -5.883   7.065
  378    HZ3  LYS 175           HZ3      LYS 175 -13.404  -5.341   6.252
  379    H    ALA 176           H        ALA 176 -17.933  -9.884   6.284
  380    HA   ALA 176           HA       ALA 176 -15.850 -10.307   4.451
  381    HB1  ALA 176           HB1      ALA 176 -16.855 -12.094   5.796
  382    HB2  ALA 176           HB2      ALA 176 -16.844 -12.495   4.079
  383    HB3  ALA 176           HB3      ALA 176 -18.340 -11.965   4.848
  384    H    GLN 177           H        GLN 177 -19.266  -9.593   3.966
  385    HA   GLN 177           HA       GLN 177 -19.335 -10.086   1.188
  386    HB2  GLN 177           HB2      GLN 177 -21.042  -8.146   2.760
  387    HB3  GLN 177           HB1      GLN 177 -21.421  -8.829   1.183
  388    HG2  GLN 177           HG2      GLN 177 -21.326 -10.232   3.835
  389    HG3  GLN 177           HG1      GLN 177 -22.714 -10.003   2.772
  390   HE21  GLN 177          1HE2      GLN 177 -22.924 -11.306   0.946
  391   HE22  GLN 177          2HE2      GLN 177 -21.995 -12.754   0.734
  392    H    LEU 178           H        LEU 178 -18.640  -7.241   3.121
  393    HA   LEU 178           HA       LEU 178 -18.347  -5.396   1.027
  394    HB2  LEU 178           HB2      LEU 178 -16.983  -5.516   3.714
  395    HB3  LEU 178           HB1      LEU 178 -16.925  -4.137   2.634
  396    HG   LEU 178           HG       LEU 178 -19.429  -5.245   3.909
  397   HD11  LEU 178          1HD1      LEU 178 -17.967  -4.183   5.535
  398   HD12  LEU 178          2HD1      LEU 178 -19.394  -3.190   5.232
  399   HD13  LEU 178          3HD1      LEU 178 -17.847  -2.752   4.510
  400   HD21  LEU 178          3HD2      LEU 178 -18.975  -2.797   2.212
  401   HD22  LEU 178          1HD2      LEU 178 -20.478  -3.206   3.038
  402   HD23  LEU 178          2HD2      LEU 178 -19.872  -4.241   1.744
  403    H    VAL 179           H        VAL 179 -16.034  -7.585   2.590
  404    HA   VAL 179           HA       VAL 179 -13.742  -6.769   1.219
  405    HB   VAL 179           HB       VAL 179 -14.485  -9.420   2.451
  406   HG11  VAL 179          1HG1      VAL 179 -12.891  -9.855   0.669
  407   HG12  VAL 179          2HG1      VAL 179 -12.131 -10.056   2.248
  408   HG13  VAL 179          3HG1      VAL 179 -11.824  -8.601   1.299
  409   HG21  VAL 179          3HG2      VAL 179 -12.862  -8.734   4.155
  410   HG22  VAL 179          1HG2      VAL 179 -14.180  -7.574   3.997
  411   HG23  VAL 179          2HG2      VAL 179 -12.605  -7.219   3.285
  412    H    GLU 180           H        GLU 180 -16.024  -9.411   0.441
  413    HA   GLU 180           HA       GLU 180 -14.724 -10.341  -1.832
  414    HB2  GLU 180           HB2      GLU 180 -17.679 -10.296  -1.227
  415    HB3  GLU 180           HB1      GLU 180 -16.958 -11.191  -2.555
  416    HG2  GLU 180           HG2      GLU 180 -15.538 -12.339  -0.774
  417    HG3  GLU 180           HG1      GLU 180 -16.676 -11.655   0.388
  418    H    ILE 181           H        ILE 181 -17.395  -7.974  -1.682
  419    HA   ILE 181           HA       ILE 181 -17.432  -7.454  -4.450
  420    HB   ILE 181           HB       ILE 181 -18.277  -5.606  -2.211
  421   HG12  ILE 181          2HG1      ILE 181 -19.873  -7.621  -3.809
  422   HG13  ILE 181          1HG1      ILE 181 -19.371  -7.823  -2.136
  423   HG21  ILE 181          1HG2      ILE 181 -18.024  -4.430  -4.333
  424   HG22  ILE 181          2HG2      ILE 181 -19.727  -4.573  -3.897
  425   HG23  ILE 181          3HG2      ILE 181 -19.041  -5.629  -5.131
  426   HD11  ILE 181          3HD1      ILE 181 -21.701  -7.169  -2.283
  427   HD12  ILE 181          1HD1      ILE 181 -21.251  -5.715  -3.175
  428   HD13  ILE 181          2HD1      ILE 181 -20.747  -5.912  -1.496
  429    H    VAL 182           H        VAL 182 -15.639  -5.899  -1.804
  430    HA   VAL 182           HA       VAL 182 -14.558  -3.805  -3.381
  431    HB   VAL 182           HB       VAL 182 -13.632  -5.029  -0.784
  432   HG11  VAL 182          1HG1      VAL 182 -12.404  -2.680  -2.232
  433   HG12  VAL 182          2HG1      VAL 182 -11.647  -4.255  -1.993
  434   HG13  VAL 182          3HG1      VAL 182 -11.993  -3.221  -0.605
  435   HG21  VAL 182          3HG2      VAL 182 -15.639  -3.670  -0.666
  436   HG22  VAL 182          1HG2      VAL 182 -14.816  -2.348  -1.494
  437   HG23  VAL 182          2HG2      VAL 182 -14.293  -2.841   0.117
  438    H    GLY 183           H        GLY 183 -13.290  -6.997  -2.442
  439    HA2  GLY 183           HA2      GLY 183 -10.834  -6.783  -3.786
  440    HA3  GLY 183           HA1      GLY 183 -11.628  -8.285  -3.348
  441    H    CYS 184           H        CYS 184 -13.976  -7.856  -4.859
  442    HA   CYS 184           HA       CYS 184 -13.302  -8.908  -7.352
  443    HB2  CYS 184           HB2      CYS 184 -15.530  -9.097  -6.257
  444    HB3  CYS 184           HB1      CYS 184 -15.818  -7.397  -6.607
  445    HG   CYS 184           HG       CYS 184 -15.087  -8.548  -9.478
  446    H    HIS 185           H        HIS 185 -14.193  -5.577  -6.440
  447    HA   HIS 185           HA       HIS 185 -13.694  -4.607  -9.111
  448    HB2  HIS 185           HB2      HIS 185 -15.395  -3.610  -7.558
  449    HB3  HIS 185           HB1      HIS 185 -14.065  -2.992  -6.584
  450    HD1  HIS 185           HD1      HIS 185 -12.780  -0.960  -7.476
  451    HD2  HIS 185           HD2      HIS 185 -15.785  -2.288 -10.029
  452    HE1  HIS 185           HE1      HIS 185 -13.068   0.858  -9.193
  453    HE2  HIS 185           HE2      HIS 185 -15.006   0.110 -10.620
  454    H    PHE 186           H        PHE 186 -11.904  -4.924  -6.158
  455    HA   PHE 186           HA       PHE 186  -9.920  -3.002  -6.526
  456    HB2  PHE 186           HB2      PHE 186 -10.365  -4.212  -4.415
  457    HB3  PHE 186           HB1      PHE 186  -9.722  -5.680  -5.136
  458    HD1  PHE 186           HD1      PHE 186  -8.705  -2.140  -4.591
  459    HD2  PHE 186           HD2      PHE 186  -7.582  -6.239  -4.627
  460    HE1  PHE 186           HE1      PHE 186  -6.470  -1.525  -3.796
  461    HE2  PHE 186           HE2      PHE 186  -5.338  -5.635  -3.828
  462    HZ   PHE 186           HZ       PHE 186  -4.774  -3.273  -3.410
  463    H    LYS 187           H        LYS 187  -9.983  -6.441  -7.457
  464    HA   LYS 187           HA       LYS 187  -7.370  -6.313  -8.634
  465    HB2  LYS 187           HB2      LYS 187  -9.518  -8.408  -8.998
  466    HB3  LYS 187           HB1      LYS 187  -7.827  -8.577  -9.442
  467    HG2  LYS 187           HG2      LYS 187  -7.213  -8.328  -7.067
  468    HG3  LYS 187           HG1      LYS 187  -8.926  -8.256  -6.657
  469    HD2  LYS 187           HD2      LYS 187  -8.459 -10.483  -6.278
  470    HD3  LYS 187           HD1      LYS 187  -9.038 -10.528  -7.943
  471    HE2  LYS 187           HE2      LYS 187  -6.118 -10.287  -7.263
  472    HE3  LYS 187           HE1      LYS 187  -6.922 -11.848  -7.394
  473    HZ1  LYS 187           HZ1      LYS 187  -5.725 -10.924  -9.436
  474    HZ2  LYS 187           HZ2      LYS 187  -7.055  -9.887  -9.598
  475    HZ3  LYS 187           HZ3      LYS 187  -7.282 -11.562  -9.653
  476    H    SER 188           H        SER 188 -10.218  -5.011  -9.611
  477    HA   SER 188           HA       SER 188  -9.697  -5.446 -12.471
  478    HB2  SER 188           HB2      SER 188 -12.200  -4.388 -11.128
  479    HB3  SER 188           HB1      SER 188 -12.014  -4.768 -12.840
  480    HG   SER 188           HG       SER 188 -12.292  -6.481 -10.641
  481    H    ILE 189           H        ILE 189  -8.483  -3.458 -10.425
  482    HA   ILE 189           HA       ILE 189  -9.229  -0.905 -11.588
  483    HB   ILE 189           HB       ILE 189  -7.225  -1.639  -9.452
  484   HG12  ILE 189          2HG1      ILE 189  -9.875  -0.183  -9.326
  485   HG13  ILE 189          1HG1      ILE 189  -9.587  -1.837  -8.798
  486   HG21  ILE 189          1HG2      ILE 189  -6.967   0.770  -9.058
  487   HG22  ILE 189          2HG2      ILE 189  -7.972   1.102 -10.469
  488   HG23  ILE 189          3HG2      ILE 189  -6.411   0.302 -10.665
  489   HD11  ILE 189          3HD1      ILE 189  -8.347   0.636  -7.612
  490   HD12  ILE 189          1HD1      ILE 189  -8.058  -1.021  -7.079
  491   HD13  ILE 189          2HD1      ILE 189  -9.664  -0.309  -6.916
  492    HA   PRO 190           HA       PRO 190  -5.876  -1.301 -14.589
  493    HB2  PRO 190           HB2      PRO 190  -6.849   1.223 -15.653
  494    HB3  PRO 190           HB1      PRO 190  -6.878  -0.376 -16.403
  495    HG2  PRO 190           HG2      PRO 190  -9.123   0.930 -15.578
  496    HG3  PRO 190           HG1      PRO 190  -8.988  -0.835 -15.642
  497    HD2  PRO 190           HD2      PRO 190  -8.757   1.000 -13.287
  498    HD3  PRO 190           HD1      PRO 190  -9.549  -0.588 -13.408
  499    H    VAL 191           H        VAL 191  -4.075  -0.858 -13.396
  500    HA   VAL 191           HA       VAL 191  -3.674   1.936 -12.552
  501    HB   VAL 191           HB       VAL 191  -3.985   0.388 -10.670
  502   HG11  VAL 191          1HG1      VAL 191  -2.300  -1.309 -10.155
  503   HG12  VAL 191          2HG1      VAL 191  -1.512  -0.984 -11.700
  504   HG13  VAL 191          3HG1      VAL 191  -3.144  -1.653 -11.666
  505   HG21  VAL 191          3HG2      VAL 191  -1.161   1.409 -10.871
  506   HG22  VAL 191          1HG2      VAL 191  -2.016   0.995  -9.385
  507   HG23  VAL 191          2HG2      VAL 191  -2.570   2.349 -10.371
  508    H    ASN 192           H        ASN 192  -1.856   2.963 -13.147
  509    HA   ASN 192           HA       ASN 192   0.095   1.455 -14.753
  510    HB2  ASN 192           HB2      ASN 192  -1.063   3.287 -15.957
  511    HB3  ASN 192           HB1      ASN 192  -0.467   4.435 -14.763
  512   HD21  ASN 192          1HD2      ASN 192   0.708   5.643 -16.230
  513   HD22  ASN 192          2HD2      ASN 192   2.129   5.040 -17.015
  514    H    GLU 193           H        GLU 193   2.080   1.221 -14.008
  515    HA   GLU 193           HA       GLU 193   2.815   1.724 -11.407
  516    HB2  GLU 193           HB2      GLU 193   3.987   0.084 -12.639
  517    HB3  GLU 193           HB1      GLU 193   4.451   1.234 -13.882
  518    HG2  GLU 193           HG2      GLU 193   5.875   2.383 -12.202
  519    HG3  GLU 193           HG1      GLU 193   5.492   1.087 -11.068
  520    H    LYS 194           H        LYS 194   4.020   3.538 -14.243
  521    HA   LYS 194           HA       LYS 194   5.706   5.257 -12.916
  522    HB2  LYS 194           HB2      LYS 194   5.667   5.022 -15.325
  523    HB3  LYS 194           HB1      LYS 194   4.093   5.807 -15.395
  524    HG2  LYS 194           HG2      LYS 194   5.028   7.875 -14.625
  525    HG3  LYS 194           HG1      LYS 194   6.597   7.110 -14.358
  526    HD2  LYS 194           HD2      LYS 194   6.779   6.650 -16.742
  527    HD3  LYS 194           HD1      LYS 194   5.208   7.408 -17.013
  528    HE2  LYS 194           HE2      LYS 194   6.959   8.975 -17.557
  529    HE3  LYS 194           HE1      LYS 194   6.107   9.519 -16.112
  530    HZ1  LYS 194           HZ1      LYS 194   8.725   8.114 -16.170
  531    HZ2  LYS 194           HZ2      LYS 194   7.909   8.599 -14.765
  532    HZ3  LYS 194           HZ3      LYS 194   8.486   9.766 -15.855
  533    H    ASP 195           H        ASP 195   2.368   6.052 -13.911
  534    HA   ASP 195           HA       ASP 195   2.378   8.607 -12.725
  535    HB2  ASP 195           HB2      ASP 195   0.065   6.822 -13.499
  536    HB3  ASP 195           HB1      ASP 195  -0.109   8.498 -12.993
  537    H    THR 196           H        THR 196   1.292   5.463 -11.559
  538    HA   THR 196           HA       THR 196  -0.015   6.423  -9.247
  539    HB   THR 196           HB       THR 196   1.177   3.685  -9.722
  540    HG1  THR 196           HG1      THR 196  -0.311   3.912 -11.282
  541   HG21  THR 196          3HG2      THR 196  -1.009   4.582  -7.839
  542   HG22  THR 196          1HG2      THR 196   0.625   4.122  -7.363
  543   HG23  THR 196          2HG2      THR 196  -0.456   2.925  -8.074
  544    H    LEU 197           H        LEU 197   3.282   5.175  -9.788
  545    HA   LEU 197           HA       LEU 197   4.159   5.368  -7.134
  546    HB2  LEU 197           HB2      LEU 197   5.719   5.744  -9.689
  547    HB3  LEU 197           HB1      LEU 197   6.443   5.599  -8.101
  548    HG   LEU 197           HG       LEU 197   4.902   3.478  -9.588
  549   HD11  LEU 197          1HD1      LEU 197   7.009   2.265  -9.497
  550   HD12  LEU 197          2HD1      LEU 197   7.763   3.617  -8.653
  551   HD13  LEU 197          3HD1      LEU 197   7.209   3.815 -10.316
  552   HD21  LEU 197          3HD2      LEU 197   6.065   3.369  -6.810
  553   HD22  LEU 197          1HD2      LEU 197   5.327   2.027  -7.683
  554   HD23  LEU 197          2HD2      LEU 197   4.347   3.414  -7.206
  555    H    THR 198           H        THR 198   4.151   7.742  -9.753
  556    HA   THR 198           HA       THR 198   5.406   9.831  -8.379
  557    HB   THR 198           HB       THR 198   3.246  10.090 -10.482
  558    HG1  THR 198           HG1      THR 198   4.944   8.830 -11.279
  559   HG21  THR 198          3HG2      THR 198   5.449  11.996  -9.662
  560   HG22  THR 198          1HG2      THR 198   3.734  12.191  -9.296
  561   HG23  THR 198          2HG2      THR 198   4.291  12.249 -10.968
  562    H    CYS 199           H        CYS 199   1.922   9.057  -8.657
  563    HA   CYS 199           HA       CYS 199   0.971  11.197  -7.119
  564    HB2  CYS 199           HB2      CYS 199  -0.245   8.423  -7.243
  565    HB3  CYS 199           HB1      CYS 199  -1.066   9.917  -6.813
  566    HG   CYS 199           HG       CYS 199   0.230   9.293  -9.921
  567    H    PHE 200           H        PHE 200   1.861   7.906  -6.150
  568    HA   PHE 200           HA       PHE 200   1.112   8.101  -3.470
  569    HB2  PHE 200           HB2      PHE 200   1.551   5.957  -4.475
  570    HB3  PHE 200           HB1      PHE 200   3.225   6.404  -4.806
  571    HD1  PHE 200           HD1      PHE 200   0.934   6.330  -1.856
  572    HD2  PHE 200           HD2      PHE 200   4.783   5.435  -3.437
  573    HE1  PHE 200           HE1      PHE 200   1.596   5.378   0.308
  574    HE2  PHE 200           HE2      PHE 200   5.455   4.478  -1.270
  575    HZ   PHE 200           HZ       PHE 200   3.860   4.448   0.606
  576    H    ILE 201           H        ILE 201   4.408   8.344  -4.829
  577    HA   ILE 201           HA       ILE 201   5.671   8.920  -2.402
  578    HB   ILE 201           HB       ILE 201   6.580   9.888  -5.117
  579   HG12  ILE 201          2HG1      ILE 201   7.181   7.243  -3.776
  580   HG13  ILE 201          1HG1      ILE 201   6.058   7.452  -5.116
  581   HG21  ILE 201          1HG2      ILE 201   7.825  10.862  -3.291
  582   HG22  ILE 201          2HG2      ILE 201   8.829   9.670  -4.120
  583   HG23  ILE 201          3HG2      ILE 201   8.078   9.270  -2.576
  584   HD11  ILE 201          3HD1      ILE 201   7.922   8.285  -6.499
  585   HD12  ILE 201          1HD1      ILE 201   8.159   6.629  -5.937
  586   HD13  ILE 201          2HD1      ILE 201   9.021   7.957  -5.161
  587    H    TYR 202           H        TYR 202   4.376  11.065  -4.893
  588    HA   TYR 202           HA       TYR 202   5.260  13.499  -3.808
  589    HB2  TYR 202           HB2      TYR 202   4.419  13.184  -6.121
  590    HB3  TYR 202           HB1      TYR 202   2.799  12.947  -5.483
  591    HD1  TYR 202           HD1      TYR 202   5.447  15.383  -6.141
  592    HD2  TYR 202           HD2      TYR 202   1.481  14.821  -4.723
  593    HE1  TYR 202           HE1      TYR 202   5.047  17.795  -6.332
  594    HE2  TYR 202           HE2      TYR 202   1.067  17.236  -4.898
  595    HH   TYR 202           HH       TYR 202   3.213  19.362  -6.529
  596    H    SER 203           H        SER 203   2.275  11.647  -3.303
  597    HA   SER 203           HA       SER 203   0.937  13.584  -1.758
  598    HB2  SER 203           HB2      SER 203   0.643  10.572  -1.675
  599    HB3  SER 203           HB1      SER 203  -0.498  11.732  -0.999
  600    HG   SER 203           HG       SER 203   0.206  11.407  -3.731
  601    H    VAL 204           H        VAL 204   2.902  10.785  -0.791
  602    HA   VAL 204           HA       VAL 204   2.530  11.170   1.982
  603    HB   VAL 204           HB       VAL 204   4.874   9.771   0.704
  604   HG11  VAL 204          1HG1      VAL 204   3.444   9.350   3.321
  605   HG12  VAL 204          2HG1      VAL 204   5.047  10.053   3.105
  606   HG13  VAL 204          3HG1      VAL 204   4.765   8.358   2.704
  607   HG21  VAL 204          3HG2      VAL 204   2.123   8.664   1.247
  608   HG22  VAL 204          1HG2      VAL 204   3.520   7.744   0.689
  609   HG23  VAL 204          2HG2      VAL 204   2.816   8.989  -0.343
  610    H    ARG 205           H        ARG 205   4.785  12.537  -0.314
  611    HA   ARG 205           HA       ARG 205   6.565  13.463   1.765
  612    HB2  ARG 205           HB2      ARG 205   6.585  13.906  -1.214
  613    HB3  ARG 205           HB1      ARG 205   7.786  14.577  -0.119
  614    HG2  ARG 205           HG2      ARG 205   8.112  12.140   0.650
  615    HG3  ARG 205           HG1      ARG 205   7.297  11.729  -0.859
  616    HD2  ARG 205           HD2      ARG 205   9.716  13.501  -0.680
  617    HD3  ARG 205           HD1      ARG 205   9.792  11.771  -0.981
  618    HE   ARG 205           HE       ARG 205   8.210  13.406  -2.813
  619   HH11  ARG 205          1HH1      ARG 205  11.137  11.611  -2.148
  620   HH12  ARG 205          2HH1      ARG 205  11.605  11.476  -3.813
  621   HH21  ARG 205          1HH2      ARG 205   8.811  13.270  -5.000
  622   HH22  ARG 205          2HH2      ARG 205  10.285  12.463  -5.444
  623    H    ASN 206           H        ASN 206   3.630  14.597   0.694
  624    HA   ASN 206           HA       ASN 206   4.427  17.271   1.625
  625    HB2  ASN 206           HB2      ASN 206   2.797  18.346   0.323
  626    HB3  ASN 206           HB1      ASN 206   3.515  17.159  -0.751
  627   HD21  ASN 206          1HD2      ASN 206   2.265  15.487  -1.523
  628   HD22  ASN 206          2HD2      ASN 206   0.550  15.439  -1.308
  629    H    ASP 207           H        ASP 207   1.770  14.894   1.724
  630    HA   ASP 207           HA       ASP 207   1.572  15.091   4.531
  631    HB2  ASP 207           HB2      ASP 207   0.457  17.261   3.838
  632    HB3  ASP 207           HB1      ASP 207  -0.811  16.286   3.106
  633    H    LYS 208           H        LYS 208   0.465  13.377   5.338
  634    HA   LYS 208           HA       LYS 208  -0.162  11.322   3.425
  635    HB2  LYS 208           HB2      LYS 208  -0.382  11.249   6.440
  636    HB3  LYS 208           HB1      LYS 208  -0.479   9.862   5.365
  637    HG2  LYS 208           HG2      LYS 208   1.695   9.626   5.819
  638    HG3  LYS 208           HG1      LYS 208   1.916  10.924   4.645
  639    HD2  LYS 208           HD2      LYS 208   1.749  12.550   6.550
  640    HD3  LYS 208           HD1      LYS 208   1.759  11.169   7.646
  641    HE2  LYS 208           HE2      LYS 208   3.937  10.484   6.681
  642    HE3  LYS 208           HE1      LYS 208   3.927  11.953   5.704
  643    HZ1  LYS 208           HZ1      LYS 208   3.770  13.208   7.843
  644    HZ2  LYS 208           HZ2      LYS 208   5.229  12.385   7.611
  645    HZ3  LYS 208           HZ3      LYS 208   4.058  11.750   8.660
  646    H    ASN 209           H        ASN 209  -1.954  11.901   2.349
  647    HA   ASN 209           HA       ASN 209  -4.128  12.238   1.840
  648    HB2  ASN 209           HB2      ASN 209  -4.464  10.127   3.158
  649    HB3  ASN 209           HB1      ASN 209  -4.773  11.118   4.581
  650   HD21  ASN 209          1HD2      ASN 209  -6.873  10.405   4.824
  651   HD22  ASN 209          2HD2      ASN 209  -8.138  10.839   3.730
  652    H    LYS 210           H        LYS 210  -3.663  14.473   1.877
  653    HA   LYS 210           HA       LYS 210  -4.074  15.980   4.300
  654    HB2  LYS 210           HB2      LYS 210  -3.438  17.924   2.984
  655    HB3  LYS 210           HB1      LYS 210  -2.296  16.613   2.718
  656    HG2  LYS 210           HG2      LYS 210  -3.315  16.103   0.589
  657    HG3  LYS 210           HG1      LYS 210  -4.560  17.324   0.861
  658    HD2  LYS 210           HD2      LYS 210  -1.598  17.826   0.570
  659    HD3  LYS 210           HD1      LYS 210  -2.833  18.157  -0.643
  660    HE2  LYS 210           HE2      LYS 210  -2.533  19.473   2.054
  661    HE3  LYS 210           HE1      LYS 210  -2.244  20.208   0.479
  662    HZ1  LYS 210           HZ1      LYS 210  -4.688  19.683   0.039
  663    HZ2  LYS 210           HZ2      LYS 210  -4.337  20.959   1.096
  664    HZ3  LYS 210           HZ3      LYS 210  -4.824  19.460   1.714
  665    H    SER 211           H        SER 211  -5.763  17.249   4.816
  666    HA   SER 211           HA       SER 211  -8.210  16.973   3.329
  667    HB2  SER 211           HB2      SER 211  -7.570  18.756   5.694
  668    HB3  SER 211           HB1      SER 211  -9.181  18.355   5.097
  669    HG   SER 211           HG       SER 211  -7.904  16.079   5.481
  670    H    ASP 212           H        ASP 212  -9.463  18.876   2.607
  671    HA   ASP 212           HA       ASP 212  -7.770  20.631   1.058
  672    HB2  ASP 212           HB2      ASP 212  -9.725  19.735  -0.040
  673    HB3  ASP 212           HB1      ASP 212 -10.775  20.358   1.230
  674    H    LEU 213           H        LEU 213  -7.122  22.558   1.668
  675    HA   LEU 213           HA       LEU 213  -8.574  23.909   3.848
  676    HB2  LEU 213           HB2      LEU 213  -5.633  24.092   3.184
  677    HB3  LEU 213           HB1      LEU 213  -6.441  24.908   4.507
  678    HG   LEU 213           HG       LEU 213  -6.099  21.921   4.228
  679   HD11  LEU 213          1HD1      LEU 213  -4.800  23.899   6.094
  680   HD12  LEU 213          2HD1      LEU 213  -4.016  23.069   4.751
  681   HD13  LEU 213          3HD1      LEU 213  -4.596  22.148   6.138
  682   HD21  LEU 213          3HD2      LEU 213  -8.184  22.492   5.357
  683   HD22  LEU 213          1HD2      LEU 213  -7.307  23.559   6.456
  684   HD23  LEU 213          2HD2      LEU 213  -7.017  21.819   6.494
  685    H    LYS 214           H        LYS 214  -9.858  25.271   2.712
  686    HA   LYS 214           HA       LYS 214  -8.880  26.773   0.461
  687    HB2  LYS 214           HB2      LYS 214 -11.465  26.903   2.018
  688    HB3  LYS 214           HB1      LYS 214 -11.123  27.904   0.614
  689    HG2  LYS 214           HG2      LYS 214 -10.872  25.873  -0.748
  690    HG3  LYS 214           HG1      LYS 214 -11.283  24.897   0.666
  691    HD2  LYS 214           HD2      LYS 214 -13.472  25.915   0.780
  692    HD3  LYS 214           HD1      LYS 214 -13.062  27.019  -0.533
  693    HE2  LYS 214           HE2      LYS 214 -14.422  25.225  -1.392
  694    HE3  LYS 214           HE1      LYS 214 -12.789  25.086  -2.039
  695    HZ1  LYS 214           HZ1      LYS 214 -13.926  23.500   0.203
  696    HZ2  LYS 214           HZ2      LYS 214 -12.325  23.388  -0.354
  697    HZ3  LYS 214           HZ3      LYS 214 -13.612  22.939  -1.365
  698    H    ALA 215           H        ALA 215 -10.079  27.653   3.697
  699    HA   ALA 215           HA       ALA 215  -9.615  29.368   5.100
  700    HB1  ALA 215           HB1      ALA 215  -7.303  28.549   4.875
  701    HB2  ALA 215           HB2      ALA 215  -7.381  30.290   5.148
  702    HB3  ALA 215           HB3      ALA 215  -7.058  29.664   3.530
  703    H    ASP 216           H        ASP 216 -10.867  29.812   2.373
  704    HA   ASP 216           HA       ASP 216 -10.150  32.494   1.636
  705    HB2  ASP 216           HB2      ASP 216 -12.527  30.785   0.862
  706    HB3  ASP 216           HB1      ASP 216 -12.181  32.369   0.179
  707    H    SER 217           H        SER 217 -12.531  30.955   3.644
  708    HA   SER 217           HA       SER 217 -14.220  31.693   4.944
  709    HB2  SER 217           HB2      SER 217 -13.597  33.625   6.434
  710    HB3  SER 217           HB1      SER 217 -12.427  32.309   6.389
  711    HG   SER 217           HG       SER 217 -11.974  34.245   4.501
  712    H    GLY 218           H        GLY 218 -15.553  32.084   3.032
  713    HA2  GLY 218           HA2      GLY 218 -16.066  34.933   2.530
  714    HA3  GLY 218           HA1      GLY 218 -16.700  33.587   1.584
  715    H    VAL 219           H        VAL 219 -18.205  32.137   2.719
  716    HA   VAL 219           HA       VAL 219 -20.145  31.728   3.802
  717    HB   VAL 219           HB       VAL 219 -19.073  33.571   5.941
  718   HG11  VAL 219          1HG1      VAL 219 -20.451  32.224   7.454
  719   HG12  VAL 219          2HG1      VAL 219 -21.058  31.303   6.077
  720   HG13  VAL 219          3HG1      VAL 219 -21.428  33.022   6.220
  721   HG21  VAL 219          3HG2      VAL 219 -18.160  31.515   6.962
  722   HG22  VAL 219          1HG2      VAL 219 -17.410  31.901   5.414
  723   HG23  VAL 219          2HG2      VAL 219 -18.618  30.619   5.513
  724    H    HIS 220           H        HIS 220 -21.458  32.731   2.278
  725    HA   HIS 220           HA       HIS 220 -22.427  35.417   2.981
  726    HB2  HIS 220           HB2      HIS 220 -21.716  34.965   0.608
  727    HB3  HIS 220           HB1      HIS 220 -23.041  33.813   0.488
  728    HD1  HIS 220           HD1      HIS 220 -25.486  34.811   0.499
  729    HD2  HIS 220           HD2      HIS 220 -22.424  37.631   0.389
  730    HE1  HIS 220           HE1      HIS 220 -26.582  36.984  -0.139
  731    HE2  HIS 220           HE2      HIS 220 -24.709  38.669  -0.243
  732    H1   SER 454           HT1      SER 454  28.078  21.173  -9.801
  733    H2   SER 454           HT2      SER 454  28.869  20.658  -8.391
  734    H3   SER 454           HT3      SER 454  27.178  20.587  -8.487
  735    HA   SER 454           HA       SER 454  29.066  19.026 -10.147
  736    HB2  SER 454           HB2      SER 454  27.272  18.171  -7.858
  737    HB3  SER 454           HB1      SER 454  28.255  17.093  -8.851
  738    HG   SER 454           HG       SER 454  29.192  17.761  -6.784
  739    H    ASN 455           H        ASN 455  28.074  17.527 -11.552
  740    HA   ASN 455           HA       ASN 455  25.397  18.322 -12.411
  741    HB2  ASN 455           HB2      ASN 455  27.233  18.079 -14.080
  742    HB3  ASN 455           HB1      ASN 455  27.328  16.366 -13.685
  743   HD21  ASN 455          1HD2      ASN 455  24.397  18.304 -13.947
  744   HD22  ASN 455          2HD2      ASN 455  23.747  17.453 -15.313
  745    H    ALA 456           H        ALA 456  23.864  17.382 -11.177
  746    HA   ALA 456           HA       ALA 456  24.234  14.690 -10.170
  747    HB1  ALA 456           HB1      ALA 456  22.167  15.065  -8.947
  748    HB2  ALA 456           HB2      ALA 456  21.904  16.574  -9.820
  749    HB3  ALA 456           HB3      ALA 456  23.276  16.417  -8.722
  750    H    SER 457           H        SER 457  23.696  12.976 -11.275
  751    HA   SER 457           HA       SER 457  21.636  13.168 -13.360
  752    HB2  SER 457           HB2      SER 457  23.832  12.365 -14.119
  753    HB3  SER 457           HB1      SER 457  23.799  11.086 -12.907
  754    HG   SER 457           HG       SER 457  22.109  11.394 -15.171
  755    H    LYS 458           H        LYS 458  22.707  11.226 -10.605
  756    HA   LYS 458           HA       LYS 458  20.028  10.433  -9.958
  757    HB2  LYS 458           HB2      LYS 458  20.504   8.887 -11.808
  758    HB3  LYS 458           HB1      LYS 458  21.965   8.352 -10.993
  759    HG2  LYS 458           HG2      LYS 458  20.609   7.448  -9.165
  760    HG3  LYS 458           HG1      LYS 458  19.145   7.976 -10.000
  761    HD2  LYS 458           HD2      LYS 458  19.781   6.555 -11.924
  762    HD3  LYS 458           HD1      LYS 458  21.170   5.978 -11.003
  763    HE2  LYS 458           HE2      LYS 458  19.706   5.016  -9.335
  764    HE3  LYS 458           HE1      LYS 458  18.291   5.677 -10.155
  765    HZ1  LYS 458           HZ1      LYS 458  18.843   4.312 -12.088
  766    HZ2  LYS 458           HZ2      LYS 458  18.577   3.356 -10.710
  767    HZ3  LYS 458           HZ3      LYS 458  20.159   3.641 -11.252
  768    H    HIS 459           H        HIS 459  23.462   9.612  -9.598
  769    HA   HIS 459           HA       HIS 459  23.300   8.504  -7.034
  770    HB2  HIS 459           HB2      HIS 459  25.262   8.307  -8.566
  771    HB3  HIS 459           HB1      HIS 459  25.657   9.988  -8.217
  772    HD1  HIS 459           HD1      HIS 459  27.406  10.219  -6.487
  773    HD2  HIS 459           HD2      HIS 459  25.127   6.784  -5.926
  774    HE1  HIS 459           HE1      HIS 459  28.390   9.072  -4.482
  775    HE2  HIS 459           HE2      HIS 459  26.872   7.111  -4.042
  776    H    GLY 460           H        GLY 460  22.468   9.466  -5.335
  777    HA2  GLY 460           HA2      GLY 460  23.298  11.251  -3.666
  778    HA3  GLY 460           HA1      GLY 460  22.895  12.357  -4.973
  779    H    VAL 461           H        VAL 461  20.577  10.803  -5.834
  780    HA   VAL 461           HA       VAL 461  18.761  10.826  -3.588
  781    HB   VAL 461           HB       VAL 461  18.801  13.201  -4.053
  782   HG11  VAL 461          1HG1      VAL 461  18.128  14.113  -6.232
  783   HG12  VAL 461          2HG1      VAL 461  18.089  12.479  -6.893
  784   HG13  VAL 461          3HG1      VAL 461  19.614  13.167  -6.338
  785   HG21  VAL 461          3HG2      VAL 461  16.278  11.929  -5.118
  786   HG22  VAL 461          1HG2      VAL 461  16.425  13.585  -4.533
  787   HG23  VAL 461          2HG2      VAL 461  16.655  12.234  -3.423
  788    H    GLY 462           H        GLY 462  17.226   9.346  -3.892
  789    HA2  GLY 462           HA2      GLY 462  15.512   8.754  -5.772
  790    HA3  GLY 462           HA1      GLY 462  16.968   8.164  -6.561
  791    H    THR 463           H        THR 463  16.433   7.970  -3.115
  792    HA   THR 463           HA       THR 463  16.959   5.177  -3.072
  793    HB   THR 463           HB       THR 463  16.176   5.467  -0.620
  794    HG1  THR 463           HG1      THR 463  15.260   7.699  -1.475
  795   HG21  THR 463          3HG2      THR 463  18.307   6.521  -0.013
  796   HG22  THR 463          1HG2      THR 463  18.518   7.052  -1.681
  797   HG23  THR 463          2HG2      THR 463  18.522   5.331  -1.297
  798    H    GLU 464           H        GLU 464  14.115   7.110  -3.312
  799    HA   GLU 464           HA       GLU 464  12.146   5.328  -2.448
  800    HB2  GLU 464           HB2      GLU 464  11.867   7.172  -4.827
  801    HB3  GLU 464           HB1      GLU 464  10.596   6.609  -3.754
  802    HG2  GLU 464           HG2      GLU 464  10.894   8.751  -3.011
  803    HG3  GLU 464           HG1      GLU 464  11.969   7.871  -1.928
  804    H    SER 465           H        SER 465  13.767   5.674  -5.554
  805    HA   SER 465           HA       SER 465  12.269   3.760  -6.976
  806    HB2  SER 465           HB2      SER 465  13.880   5.561  -7.872
  807    HB3  SER 465           HB1      SER 465  15.166   4.407  -7.517
  808    HG   SER 465           HG       SER 465  12.926   3.585  -9.016
  809    H    LEU 466           H        LEU 466  15.135   3.546  -4.949
  810    HA   LEU 466           HA       LEU 466  15.839   0.877  -5.496
  811    HB2  LEU 466           HB2      LEU 466  17.304   2.441  -4.299
  812    HB3  LEU 466           HB1      LEU 466  16.186   2.469  -2.950
  813    HG   LEU 466           HG       LEU 466  16.617   0.021  -2.628
  814   HD11  LEU 466          1HD1      LEU 466  18.786   0.519  -4.660
  815   HD12  LEU 466          2HD1      LEU 466  17.373  -0.514  -4.874
  816   HD13  LEU 466          3HD1      LEU 466  18.603  -0.939  -3.685
  817   HD21  LEU 466          3HD2      LEU 466  19.047   1.801  -2.484
  818   HD22  LEU 466          1HD2      LEU 466  18.766   0.334  -1.548
  819   HD23  LEU 466          2HD2      LEU 466  17.746   1.751  -1.294
  820    H    PHE 467           H        PHE 467  13.738   2.305  -3.022
  821    HA   PHE 467           HA       PHE 467  12.881   0.029  -1.715
  822    HB2  PHE 467           HB2      PHE 467  12.224   2.181  -0.904
  823    HB3  PHE 467           HB1      PHE 467  11.403   2.567  -2.410
  824    HD1  PHE 467           HD1      PHE 467  11.287   0.083   0.371
  825    HD2  PHE 467           HD2      PHE 467   9.121   2.329  -2.522
  826    HE1  PHE 467           HE1      PHE 467   9.171  -0.746   1.314
  827    HE2  PHE 467           HE2      PHE 467   7.004   1.503  -1.583
  828    HZ   PHE 467           HZ       PHE 467   7.027  -0.038   0.335
  829    H    PHE 468           H        PHE 468  11.359   1.536  -4.585
  830    HA   PHE 468           HA       PHE 468   9.354  -0.446  -4.808
  831    HB2  PHE 468           HB2      PHE 468  10.397   1.522  -6.843
  832    HB3  PHE 468           HB1      PHE 468   8.977   0.506  -7.090
  833    HD1  PHE 468           HD1      PHE 468   7.240   0.628  -5.059
  834    HD2  PHE 468           HD2      PHE 468  10.040   3.657  -6.098
  835    HE1  PHE 468           HE1      PHE 468   5.853   2.301  -3.906
  836    HE2  PHE 468           HE2      PHE 468   8.657   5.334  -4.950
  837    HZ   PHE 468           HZ       PHE 468   6.558   4.657  -3.852
  838    H    ASP 469           H        ASP 469  12.570  -0.205  -6.180
  839    HA   ASP 469           HA       ASP 469  12.387  -2.335  -8.020
  840    HB2  ASP 469           HB2      ASP 469  14.275  -0.735  -7.961
  841    HB3  ASP 469           HB1      ASP 469  14.795  -1.417  -6.425
  842    H    LYS 470           H        LYS 470  13.187  -2.224  -4.587
  843    HA   LYS 470           HA       LYS 470  13.724  -4.994  -4.325
  844    HB2  LYS 470           HB2      LYS 470  12.880  -2.946  -2.272
  845    HB3  LYS 470           HB1      LYS 470  13.366  -4.589  -1.883
  846    HG2  LYS 470           HG2      LYS 470  15.570  -4.136  -2.910
  847    HG3  LYS 470           HG1      LYS 470  15.072  -2.462  -3.159
  848    HD2  LYS 470           HD2      LYS 470  14.799  -2.157  -0.769
  849    HD3  LYS 470           HD1      LYS 470  15.205  -3.852  -0.486
  850    HE2  LYS 470           HE2      LYS 470  17.422  -3.428  -1.532
  851    HE3  LYS 470           HE1      LYS 470  17.002  -1.717  -1.621
  852    HZ1  LYS 470           HZ1      LYS 470  18.354  -2.258   0.325
  853    HZ2  LYS 470           HZ2      LYS 470  17.141  -3.308   0.881
  854    HZ3  LYS 470           HZ3      LYS 470  16.836  -1.641   0.765
  855    H    VAL 471           H        VAL 471  10.808  -3.028  -3.764
  856    HA   VAL 471           HA       VAL 471   9.083  -5.035  -2.894
  857    HB   VAL 471           HB       VAL 471   8.378  -2.722  -4.720
  858   HG11  VAL 471          1HG1      VAL 471   6.641  -4.327  -2.851
  859   HG12  VAL 471          2HG1      VAL 471   6.628  -4.421  -4.612
  860   HG13  VAL 471          3HG1      VAL 471   6.129  -2.934  -3.804
  861   HG21  VAL 471          3HG2      VAL 471   8.412  -2.882  -1.710
  862   HG22  VAL 471          1HG2      VAL 471   7.787  -1.531  -2.657
  863   HG23  VAL 471          2HG2      VAL 471   9.504  -1.935  -2.722
  864    H    ARG 472           H        ARG 472   9.934  -4.039  -6.168
  865    HA   ARG 472           HA       ARG 472   8.304  -5.724  -7.650
  866    HB2  ARG 472           HB2      ARG 472  10.802  -4.236  -8.038
  867    HB3  ARG 472           HB1      ARG 472  10.582  -5.573  -9.136
  868    HG2  ARG 472           HG2      ARG 472   8.393  -4.608  -9.750
  869    HG3  ARG 472           HG1      ARG 472   8.765  -3.218  -8.736
  870    HD2  ARG 472           HD2      ARG 472  10.694  -2.699 -10.083
  871    HD3  ARG 472           HD1      ARG 472  10.470  -4.164 -11.035
  872    HE   ARG 472           HE       ARG 472   8.779  -1.760 -11.124
  873   HH11  ARG 472          1HH1      ARG 472   9.699  -4.883 -12.418
  874   HH12  ARG 472          2HH1      ARG 472   8.879  -4.639 -13.932
  875   HH21  ARG 472          1HH2      ARG 472   7.700  -1.428 -13.101
  876   HH22  ARG 472          2HH2      ARG 472   7.725  -2.683 -14.315
  877    H    LYS 473           H        LYS 473  11.638  -6.267  -6.550
  878    HA   LYS 473           HA       LYS 473  11.794  -8.865  -7.719
  879    HB2  LYS 473           HB2      LYS 473  13.761  -7.438  -7.439
  880    HB3  LYS 473           HB1      LYS 473  13.581  -7.509  -5.693
  881    HG2  LYS 473           HG2      LYS 473  14.094  -9.854  -5.684
  882    HG3  LYS 473           HG1      LYS 473  14.113  -9.896  -7.448
  883    HD2  LYS 473           HD2      LYS 473  16.378  -9.827  -6.597
  884    HD3  LYS 473           HD1      LYS 473  16.009  -8.325  -7.444
  885    HE2  LYS 473           HE2      LYS 473  15.505  -7.286  -5.236
  886    HE3  LYS 473           HE1      LYS 473  16.059  -8.770  -4.462
  887    HZ1  LYS 473           HZ1      LYS 473  17.654  -6.845  -6.058
  888    HZ2  LYS 473           HZ2      LYS 473  18.216  -8.404  -5.684
  889    HZ3  LYS 473           HZ3      LYS 473  17.873  -7.306  -4.438
  890    H    ALA 474           H        ALA 474  10.991  -7.654  -4.540
  891    HA   ALA 474           HA       ALA 474  11.344 -10.138  -3.176
  892    HB1  ALA 474           HB1      ALA 474   9.842  -7.662  -2.344
  893    HB2  ALA 474           HB2      ALA 474  11.538  -8.011  -2.013
  894    HB3  ALA 474           HB3      ALA 474  10.276  -9.007  -1.288
  895    H    LEU 475           H        LEU 475   8.479  -8.354  -4.320
  896    HA   LEU 475           HA       LEU 475   6.635 -10.303  -3.379
  897    HB2  LEU 475           HB2      LEU 475   6.458  -7.945  -5.198
  898    HB3  LEU 475           HB1      LEU 475   5.147  -9.104  -5.198
  899    HG   LEU 475           HG       LEU 475   4.732  -8.708  -2.838
  900   HD11  LEU 475          1HD1      LEU 475   5.919  -6.957  -1.612
  901   HD12  LEU 475          2HD1      LEU 475   7.021  -6.754  -2.975
  902   HD13  LEU 475          3HD1      LEU 475   6.993  -8.275  -2.081
  903   HD21  LEU 475          3HD2      LEU 475   4.964  -6.143  -4.403
  904   HD22  LEU 475          1HD2      LEU 475   3.977  -6.386  -2.962
  905   HD23  LEU 475          2HD2      LEU 475   3.609  -7.271  -4.441
  906    H    ARG 476           H        ARG 476   8.311  -9.780  -6.401
  907    HA   ARG 476           HA       ARG 476   8.839 -11.182  -8.100
  908    HB2  ARG 476           HB2      ARG 476   9.117 -12.926  -6.396
  909    HB3  ARG 476           HB1      ARG 476   7.401 -13.301  -6.497
  910    HG2  ARG 476           HG2      ARG 476   7.711 -13.929  -8.864
  911    HG3  ARG 476           HG1      ARG 476   9.444 -13.645  -8.680
  912    HD2  ARG 476           HD2      ARG 476   9.480 -15.350  -6.879
  913    HD3  ARG 476           HD1      ARG 476   7.778 -15.682  -7.205
  914    HE   ARG 476           HE       ARG 476   9.454 -15.892  -9.537
  915   HH11  ARG 476          1HH1      ARG 476   8.152 -17.599  -6.757
  916   HH12  ARG 476          2HH1      ARG 476   8.434 -19.177  -7.437
  917   HH21  ARG 476          1HH2      ARG 476   9.834 -17.961 -10.420
  918   HH22  ARG 476          2HH2      ARG 476   9.416 -19.385  -9.507
  919    H    SER 477           H        SER 477   5.517 -11.390  -6.968
  920    HA   SER 477           HA       SER 477   4.546 -12.280  -9.539
  921    HB2  SER 477           HB2      SER 477   3.568 -13.079  -7.385
  922    HB3  SER 477           HB1      SER 477   2.994 -11.443  -7.079
  923    HG   SER 477           HG       SER 477   1.827 -13.355  -8.522
  924    H    ALA 478           H        ALA 478   3.838 -11.024 -11.107
  925    HA   ALA 478           HA       ALA 478   4.189  -8.263 -11.137
  926    HB1  ALA 478           HB1      ALA 478   4.105  -9.651 -13.147
  927    HB2  ALA 478           HB2      ALA 478   2.982  -8.294 -13.249
  928    HB3  ALA 478           HB3      ALA 478   2.380  -9.914 -12.892
  929    H    GLU 479           H        GLU 479   1.197 -10.143 -10.644
  930    HA   GLU 479           HA       GLU 479  -0.444  -7.809 -10.575
  931    HB2  GLU 479           HB2      GLU 479  -1.043 -10.364 -11.005
  932    HB3  GLU 479           HB1      GLU 479  -1.380 -10.317  -9.275
  933    HG2  GLU 479           HG2      GLU 479  -2.643  -8.084 -10.050
  934    HG3  GLU 479           HG1      GLU 479  -2.787  -9.039 -11.523
  935    H    ALA 480           H        ALA 480   1.386  -9.560  -8.198
  936    HA   ALA 480           HA       ALA 480   0.089  -8.518  -5.897
  937    HB1  ALA 480           HB1      ALA 480   2.078  -9.200  -4.672
  938    HB2  ALA 480           HB2      ALA 480   2.947  -9.443  -6.189
  939    HB3  ALA 480           HB3      ALA 480   1.570 -10.468  -5.787
  940    H    TYR 481           H        TYR 481   2.861  -7.460  -7.832
  941    HA   TYR 481           HA       TYR 481   3.373  -5.113  -6.329
  942    HB2  TYR 481           HB2      TYR 481   4.987  -6.113  -7.952
  943    HB3  TYR 481           HB1      TYR 481   3.931  -5.598  -9.266
  944    HD1  TYR 481           HD2      TYR 481   6.017  -4.332  -6.472
  945    HD2  TYR 481           HD1      TYR 481   4.047  -3.402 -10.124
  946    HE1  TYR 481           HE2      TYR 481   7.120  -2.137  -6.501
  947    HE2  TYR 481           HE1      TYR 481   5.140  -1.201 -10.162
  948    HH   TYR 481           HH       TYR 481   6.173   0.373  -8.572
  949    H    GLU 482           H        GLU 482   1.268  -5.874  -9.033
  950    HA   GLU 482           HA       GLU 482   0.311  -3.288  -9.554
  951    HB2  GLU 482           HB2      GLU 482  -0.097  -5.170 -11.063
  952    HB3  GLU 482           HB1      GLU 482  -1.092  -5.953  -9.843
  953    HG2  GLU 482           HG2      GLU 482  -2.716  -4.163  -9.977
  954    HG3  GLU 482           HG1      GLU 482  -1.697  -3.302 -11.130
  955    H    ASN 483           H        ASN 483  -0.816  -5.806  -7.323
  956    HA   ASN 483           HA       ASN 483  -3.027  -4.529  -6.242
  957    HB2  ASN 483           HB2      ASN 483  -3.010  -6.521  -5.202
  958    HB3  ASN 483           HB1      ASN 483  -1.287  -6.730  -5.486
  959   HD21  ASN 483          1HD2      ASN 483  -3.704  -5.548  -3.258
  960   HD22  ASN 483          2HD2      ASN 483  -2.656  -5.440  -1.893
  961    H    PHE 484           H        PHE 484   0.365  -4.295  -5.238
  962    HA   PHE 484           HA       PHE 484   0.111  -2.483  -3.156
  963    HB2  PHE 484           HB2      PHE 484   2.216  -3.560  -3.641
  964    HB3  PHE 484           HB1      PHE 484   2.293  -2.803  -5.227
  965    HD1  PHE 484           HD2      PHE 484   2.298  -2.027  -1.595
  966    HD2  PHE 484           HD1      PHE 484   3.415  -0.801  -5.516
  967    HE1  PHE 484           HE2      PHE 484   3.607  -0.177  -0.638
  968    HE2  PHE 484           HE1      PHE 484   4.726   1.050  -4.563
  969    HZ   PHE 484           HZ       PHE 484   4.822   1.364  -2.124
  970    H    LEU 485           H        LEU 485   0.535  -1.834  -6.617
  971    HA   LEU 485           HA       LEU 485   0.485   0.970  -6.427
  972    HB2  LEU 485           HB2      LEU 485  -0.281  -0.806  -8.738
  973    HB3  LEU 485           HB1      LEU 485   0.064   0.909  -8.841
  974    HG   LEU 485           HG       LEU 485   2.041  -1.218  -8.020
  975   HD11  LEU 485          1HD1      LEU 485   1.761   0.349 -10.572
  976   HD12  LEU 485          2HD1      LEU 485   1.494  -1.382 -10.366
  977   HD13  LEU 485          3HD1      LEU 485   3.112  -0.708 -10.163
  978   HD21  LEU 485          3HD2      LEU 485   2.467   0.936  -6.947
  979   HD22  LEU 485          1HD2      LEU 485   2.424   1.731  -8.521
  980   HD23  LEU 485          2HD2      LEU 485   3.695   0.563  -8.157
  981    H    ARG 486           H        ARG 486  -2.101  -1.400  -6.768
  982    HA   ARG 486           HA       ARG 486  -4.159   0.476  -7.301
  983    HB2  ARG 486           HB2      ARG 486  -4.410  -2.208  -5.957
  984    HB3  ARG 486           HB1      ARG 486  -5.716  -1.286  -6.686
  985    HG2  ARG 486           HG2      ARG 486  -4.469  -1.484  -8.869
  986    HG3  ARG 486           HG1      ARG 486  -3.424  -2.655  -8.058
  987    HD2  ARG 486           HD2      ARG 486  -5.791  -3.643  -7.349
  988    HD3  ARG 486           HD1      ARG 486  -6.259  -2.864  -8.858
  989    HE   ARG 486           HE       ARG 486  -4.560  -4.249  -9.960
  990   HH11  ARG 486          1HH1      ARG 486  -5.681  -5.173  -6.777
  991   HH12  ARG 486          2HH1      ARG 486  -5.312  -6.858  -6.996
  992   HH21  ARG 486          1HH2      ARG 486  -4.087  -6.463 -10.273
  993   HH22  ARG 486          2HH2      ARG 486  -4.412  -7.609  -8.988
  994    H    CYS 487           H        CYS 487  -2.815  -0.872  -4.329
  995    HA   CYS 487           HA       CYS 487  -4.582   0.370  -2.537
  996    HB2  CYS 487           HB2      CYS 487  -1.644  -0.242  -2.128
  997    HB3  CYS 487           HB1      CYS 487  -2.833   0.035  -0.860
  998    HG   CYS 487           HG       CYS 487  -2.591  -2.664  -2.941
  999    H    LEU 488           H        LEU 488  -1.756   1.504  -4.269
 1000    HA   LEU 488           HA       LEU 488  -1.417   3.919  -2.840
 1001    HB2  LEU 488           HB2      LEU 488  -0.651   3.329  -5.696
 1002    HB3  LEU 488           HB1      LEU 488  -0.012   4.606  -4.689
 1003    HG   LEU 488           HG       LEU 488   0.429   1.649  -4.343
 1004   HD11  LEU 488          1HD1      LEU 488   2.304   3.915  -4.995
 1005   HD12  LEU 488          2HD1      LEU 488   1.753   2.661  -6.109
 1006   HD13  LEU 488          3HD1      LEU 488   2.771   2.235  -4.733
 1007   HD21  LEU 488          3HD2      LEU 488   1.375   3.926  -2.607
 1008   HD22  LEU 488          1HD2      LEU 488   1.854   2.235  -2.450
 1009   HD23  LEU 488          2HD2      LEU 488   0.180   2.708  -2.160
 1010    H    VAL 489           H        VAL 489  -3.203   3.144  -5.837
 1011    HA   VAL 489           HA       VAL 489  -3.913   5.837  -6.356
 1012    HB   VAL 489           HB       VAL 489  -5.699   4.927  -7.852
 1013   HG11  VAL 489          1HG1      VAL 489  -4.139   4.027  -9.502
 1014   HG12  VAL 489          2HG1      VAL 489  -2.927   3.812  -8.239
 1015   HG13  VAL 489          3HG1      VAL 489  -3.468   5.433  -8.675
 1016   HG21  VAL 489          3HG2      VAL 489  -6.269   2.868  -6.787
 1017   HG22  VAL 489          1HG2      VAL 489  -4.609   2.282  -6.912
 1018   HG23  VAL 489          2HG2      VAL 489  -5.587   2.485  -8.368
 1019    H    ILE 490           H        ILE 490  -5.640   3.224  -4.653
 1020    HA   ILE 490           HA       ILE 490  -7.941   4.837  -4.181
 1021    HB   ILE 490           HB       ILE 490  -8.615   3.167  -2.514
 1022   HG12  ILE 490          2HG1      ILE 490  -5.929   1.914  -3.116
 1023   HG13  ILE 490          1HG1      ILE 490  -6.465   2.559  -1.567
 1024   HG21  ILE 490          1HG2      ILE 490  -8.813   1.278  -4.063
 1025   HG22  ILE 490          2HG2      ILE 490  -7.607   2.028  -5.110
 1026   HG23  ILE 490          3HG2      ILE 490  -9.157   2.825  -4.840
 1027   HD11  ILE 490          3HD1      ILE 490  -7.576   0.149  -2.991
 1028   HD12  ILE 490          1HD1      ILE 490  -8.219   0.827  -1.491
 1029   HD13  ILE 490          2HD1      ILE 490  -6.583   0.160  -1.532
 1030    H    PHE 491           H        PHE 491  -4.889   4.451  -2.540
 1031    HA   PHE 491           HA       PHE 491  -5.574   5.836  -0.162
 1032    HB2  PHE 491           HB2      PHE 491  -3.538   4.521  -0.271
 1033    HB3  PHE 491           HB1      PHE 491  -2.920   5.513  -1.585
 1034    HD1  PHE 491           HD1      PHE 491  -3.956   5.689   1.983
 1035    HD2  PHE 491           HD2      PHE 491  -1.554   7.325  -1.127
 1036    HE1  PHE 491           HE1      PHE 491  -2.819   7.131   3.622
 1037    HE2  PHE 491           HE2      PHE 491  -0.421   8.775   0.503
 1038    HZ   PHE 491           HZ       PHE 491  -1.049   8.676   2.884
 1039    H    ASN 492           H        ASN 492  -4.458   6.849  -3.335
 1040    HA   ASN 492           HA       ASN 492  -4.045   9.586  -2.632
 1041    HB2  ASN 492           HB2      ASN 492  -2.873   8.623  -4.528
 1042    HB3  ASN 492           HB1      ASN 492  -4.399   8.277  -5.335
 1043   HD21  ASN 492          1HD2      ASN 492  -2.208  10.809  -4.313
 1044   HD22  ASN 492          2HD2      ASN 492  -2.826  12.028  -5.374
 1045    H    GLN 493           H        GLN 493  -6.792   7.715  -3.589
 1046    HA   GLN 493           HA       GLN 493  -8.365  10.079  -4.254
 1047    HB2  GLN 493           HB2      GLN 493  -9.024   7.132  -4.367
 1048    HB3  GLN 493           HB1      GLN 493 -10.126   8.417  -4.851
 1049    HG2  GLN 493           HG2      GLN 493  -8.622   9.104  -6.605
 1050    HG3  GLN 493           HG1      GLN 493  -7.424   7.924  -6.080
 1051   HE21  GLN 493          1HE2      GLN 493  -7.387   6.907  -8.061
 1052   HE22  GLN 493          2HE2      GLN 493  -8.688   5.896  -8.611
 1053    H    GLU 494           H        GLU 494  -7.418   9.167  -1.472
 1054    HA   GLU 494           HA       GLU 494  -8.138   9.444   0.660
 1055    HB2  GLU 494           HB2      GLU 494 -10.660  10.535  -0.598
 1056    HB3  GLU 494           HB1      GLU 494 -10.195  10.710   1.085
 1057    HG2  GLU 494           HG2      GLU 494  -8.263  12.045   0.418
 1058    HG3  GLU 494           HG1      GLU 494  -8.713  11.853  -1.276
 1059    H    VAL 495           H        VAL 495  -9.020   7.055  -1.119
 1060    HA   VAL 495           HA       VAL 495 -11.475   6.178   0.087
 1061    HB   VAL 495           HB       VAL 495  -9.489   4.580  -1.539
 1062   HG11  VAL 495          1HG1      VAL 495 -11.369   3.047  -1.913
 1063   HG12  VAL 495          2HG1      VAL 495 -12.371   4.018  -0.831
 1064   HG13  VAL 495          3HG1      VAL 495 -10.957   3.171  -0.203
 1065   HG21  VAL 495          3HG2      VAL 495 -12.012   5.996  -2.417
 1066   HG22  VAL 495          1HG2      VAL 495 -10.980   4.986  -3.430
 1067   HG23  VAL 495          2HG2      VAL 495 -10.361   6.503  -2.779
 1068    H    ILE 496           H        ILE 496  -8.046   5.416   0.461
 1069    HA   ILE 496           HA       ILE 496  -8.734   4.139   3.023
 1070    HB   ILE 496           HB       ILE 496  -6.831   2.664   2.841
 1071   HG12  ILE 496          2HG1      ILE 496  -6.339   3.835   0.096
 1072   HG13  ILE 496          1HG1      ILE 496  -5.386   4.213   1.528
 1073   HG21  ILE 496          1HG2      ILE 496  -7.550   1.233   1.000
 1074   HG22  ILE 496          2HG2      ILE 496  -8.481   2.568   0.318
 1075   HG23  ILE 496          3HG2      ILE 496  -8.929   1.886   1.883
 1076   HD11  ILE 496          3HD1      ILE 496  -4.268   2.571   0.143
 1077   HD12  ILE 496          1HD1      ILE 496  -5.665   1.501   0.256
 1078   HD13  ILE 496          2HD1      ILE 496  -4.719   1.872   1.698
 1079    H    SER 497           H        SER 497  -6.776   4.158   4.528
 1080    HA   SER 497           HA       SER 497  -5.413   6.758   4.309
 1081    HB2  SER 497           HB2      SER 497  -7.268   6.632   6.048
 1082    HB3  SER 497           HB1      SER 497  -6.273   5.457   6.905
 1083    HG   SER 497           HG       SER 497  -6.074   8.167   6.818
 1084    H    ARG 498           H        ARG 498  -3.619   6.614   6.298
 1085    HA   ARG 498           HA       ARG 498  -1.562   5.103   5.162
 1086    HB2  ARG 498           HB2      ARG 498  -1.107   7.057   6.538
 1087    HB3  ARG 498           HB1      ARG 498  -1.764   6.246   7.955
 1088    HG2  ARG 498           HG2      ARG 498   0.093   4.463   7.377
 1089    HG3  ARG 498           HG1      ARG 498   0.832   5.846   6.564
 1090    HD2  ARG 498           HD2      ARG 498  -0.079   5.840   9.437
 1091    HD3  ARG 498           HD1      ARG 498   1.574   5.520   8.922
 1092    HE   ARG 498           HE       ARG 498   1.593   7.818   8.024
 1093   HH11  ARG 498          1HH1      ARG 498  -0.857   6.991  10.402
 1094   HH12  ARG 498          2HH1      ARG 498  -0.935   8.604  11.050
 1095   HH21  ARG 498          1HH2      ARG 498   1.467   9.941   8.907
 1096   HH22  ARG 498          2HH2      ARG 498   0.362  10.261  10.207
 1097    H    ALA 499           H        ALA 499  -3.518   4.444   8.057
 1098    HA   ALA 499           HA       ALA 499  -2.054   2.273   9.012
 1099    HB1  ALA 499           HB1      ALA 499  -5.023   2.707   9.291
 1100    HB2  ALA 499           HB2      ALA 499  -3.785   3.456  10.300
 1101    HB3  ALA 499           HB3      ALA 499  -4.004   1.706  10.323
 1102    H    GLU 500           H        GLU 500  -5.022   2.185   7.020
 1103    HA   GLU 500           HA       GLU 500  -4.892  -0.636   6.699
 1104    HB2  GLU 500           HB2      GLU 500  -6.549  -0.139   4.772
 1105    HB3  GLU 500           HB1      GLU 500  -7.040   0.134   6.435
 1106    HG2  GLU 500           HG2      GLU 500  -5.874   2.396   4.902
 1107    HG3  GLU 500           HG1      GLU 500  -7.528   1.891   4.558
 1108    H    LEU 501           H        LEU 501  -3.638   2.053   4.808
 1109    HA   LEU 501           HA       LEU 501  -2.972   0.677   2.463
 1110    HB2  LEU 501           HB2      LEU 501  -2.782   3.086   2.603
 1111    HB3  LEU 501           HB1      LEU 501  -1.558   2.959   3.851
 1112    HG   LEU 501           HG       LEU 501  -0.034   1.899   2.192
 1113   HD11  LEU 501          1HD1      LEU 501  -1.711   1.000   0.672
 1114   HD12  LEU 501          2HD1      LEU 501  -0.581   2.054  -0.182
 1115   HD13  LEU 501          3HD1      LEU 501  -2.196   2.635   0.227
 1116   HD21  LEU 501          3HD2      LEU 501   0.450   3.966   0.966
 1117   HD22  LEU 501          1HD2      LEU 501   0.123   4.274   2.672
 1118   HD23  LEU 501          2HD2      LEU 501  -1.111   4.618   1.460
 1119    H    VAL 502           H        VAL 502  -1.073   1.197   5.405
 1120    HA   VAL 502           HA       VAL 502   1.163  -0.329   4.626
 1121    HB   VAL 502           HB       VAL 502   0.140   0.347   7.393
 1122   HG11  VAL 502          1HG1      VAL 502   2.852  -0.669   6.553
 1123   HG12  VAL 502          2HG1      VAL 502   1.655  -1.551   7.504
 1124   HG13  VAL 502          3HG1      VAL 502   2.419  -0.105   8.166
 1125   HG21  VAL 502          3HG2      VAL 502   1.829   2.120   7.332
 1126   HG22  VAL 502          1HG2      VAL 502   0.646   2.308   6.039
 1127   HG23  VAL 502          2HG2      VAL 502   2.248   1.663   5.680
 1128    H    GLN 503           H        GLN 503  -1.815  -1.161   6.331
 1129    HA   GLN 503           HA       GLN 503  -1.014  -3.807   7.001
 1130    HB2  GLN 503           HB2      GLN 503  -3.744  -2.530   6.855
 1131    HB3  GLN 503           HB1      GLN 503  -3.446  -4.146   7.479
 1132    HG2  GLN 503           HG2      GLN 503  -2.052  -3.241   9.241
 1133    HG3  GLN 503           HG1      GLN 503  -2.259  -1.614   8.594
 1134   HE21  GLN 503          1HE2      GLN 503  -2.918  -2.671  11.223
 1135   HE22  GLN 503          2HE2      GLN 503  -4.613  -2.376  11.442
 1136    H    LEU 504           H        LEU 504  -2.404  -2.408   4.130
 1137    HA   LEU 504           HA       LEU 504  -3.460  -4.825   3.057
 1138    HB2  LEU 504           HB2      LEU 504  -2.662  -2.230   1.763
 1139    HB3  LEU 504           HB1      LEU 504  -3.332  -3.572   0.861
 1140    HG   LEU 504           HG       LEU 504  -4.733  -2.166   3.129
 1141   HD11  LEU 504          1HD1      LEU 504  -6.170  -1.246   1.366
 1142   HD12  LEU 504          2HD1      LEU 504  -5.097  -1.943   0.150
 1143   HD13  LEU 504          3HD1      LEU 504  -4.502  -0.688   1.236
 1144   HD21  LEU 504          3HD2      LEU 504  -6.685  -3.418   2.364
 1145   HD22  LEU 504          1HD2      LEU 504  -5.386  -4.497   2.877
 1146   HD23  LEU 504          2HD2      LEU 504  -5.688  -4.235   1.159
 1147    H    VAL 505           H        VAL 505  -0.361  -3.183   2.770
 1148    HA   VAL 505           HA       VAL 505   0.607  -5.243   0.954
 1149    HB   VAL 505           HB       VAL 505   1.110  -2.765   0.676
 1150   HG11  VAL 505          1HG1      VAL 505   2.993  -1.855   1.926
 1151   HG12  VAL 505          2HG1      VAL 505   3.047  -3.316   2.913
 1152   HG13  VAL 505          3HG1      VAL 505   1.641  -2.253   2.988
 1153   HG21  VAL 505          3HG2      VAL 505   3.408  -4.710   0.739
 1154   HG22  VAL 505          1HG2      VAL 505   3.400  -3.167  -0.114
 1155   HG23  VAL 505          2HG2      VAL 505   2.284  -4.447  -0.595
 1156    H    SER 506           H        SER 506   0.135  -5.159   4.127
 1157    HA   SER 506           HA       SER 506   2.533  -5.892   5.342
 1158    HB2  SER 506           HB2      SER 506   0.362  -5.322   6.500
 1159    HB3  SER 506           HB1      SER 506  -0.195  -6.948   6.107
 1160    HG   SER 506           HG       SER 506   1.580  -7.765   7.316
 1161    HA   PRO 507           HA       PRO 507   1.395 -10.566   4.259
 1162    HB2  PRO 507           HB2      PRO 507  -0.143 -10.120   1.767
 1163    HB3  PRO 507           HB1      PRO 507  -0.405 -11.299   3.056
 1164    HG2  PRO 507           HG2      PRO 507  -2.009  -9.189   2.779
 1165    HG3  PRO 507           HG1      PRO 507  -1.550  -9.788   4.385
 1166    HD2  PRO 507           HD2      PRO 507  -0.518  -7.420   2.877
 1167    HD3  PRO 507           HD1      PRO 507  -0.877  -7.587   4.608
 1168    H    PHE 508           H        PHE 508   2.372  -7.938   2.365
 1169    HA   PHE 508           HA       PHE 508   3.729  -9.665   0.414
 1170    HB2  PHE 508           HB2      PHE 508   3.086  -6.713   0.245
 1171    HB3  PHE 508           HB1      PHE 508   3.874  -7.661  -1.012
 1172    HD1  PHE 508           HD1      PHE 508   0.719  -7.097   0.795
 1173    HD2  PHE 508           HD2      PHE 508   2.613  -9.077  -2.462
 1174    HE1  PHE 508           HE1      PHE 508  -1.484  -7.691  -0.121
 1175    HE2  PHE 508           HE2      PHE 508   0.410  -9.669  -3.384
 1176    HZ   PHE 508           HZ       PHE 508  -1.642  -8.977  -2.211
 1177    H    LEU 509           H        LEU 509   4.303  -6.585   2.144
 1178    HA   LEU 509           HA       LEU 509   7.166  -6.957   1.778
 1179    HB2  LEU 509           HB2      LEU 509   5.616  -4.666   2.988
 1180    HB3  LEU 509           HB1      LEU 509   7.350  -4.686   2.734
 1181    HG   LEU 509           HG       LEU 509   5.226  -4.723   0.587
 1182   HD11  LEU 509          1HD1      LEU 509   5.485  -2.553   1.636
 1183   HD12  LEU 509          2HD1      LEU 509   6.169  -2.529   0.011
 1184   HD13  LEU 509          3HD1      LEU 509   7.233  -2.629   1.414
 1185   HD21  LEU 509          3HD2      LEU 509   7.131  -6.068  -0.085
 1186   HD22  LEU 509          1HD2      LEU 509   8.233  -4.766   0.363
 1187   HD23  LEU 509          2HD2      LEU 509   7.110  -4.550  -0.979
 1188    H    GLY 510           H        GLY 510   4.824  -7.668   4.093
 1189    HA2  GLY 510           HA2      GLY 510   6.248  -7.125   6.488
 1190    HA3  GLY 510           HA1      GLY 510   4.885  -8.219   6.322
 1191    H    LYS 511           H        LYS 511   6.846  -9.394   4.104
 1192    HA   LYS 511           HA       LYS 511   7.964 -11.417   5.851
 1193    HB2  LYS 511           HB2      LYS 511   8.356 -11.144   2.869
 1194    HB3  LYS 511           HB1      LYS 511   8.535 -12.593   3.845
 1195    HG2  LYS 511           HG2      LYS 511   6.140 -12.638   4.253
 1196    HG3  LYS 511           HG1      LYS 511   5.944 -11.156   3.314
 1197    HD2  LYS 511           HD2      LYS 511   6.932 -12.355   1.362
 1198    HD3  LYS 511           HD1      LYS 511   6.896 -13.835   2.320
 1199    HE2  LYS 511           HE2      LYS 511   4.522 -12.144   1.560
 1200    HE3  LYS 511           HE1      LYS 511   4.965 -13.691   0.845
 1201    HZ1  LYS 511           HZ1      LYS 511   4.018 -13.169   3.602
 1202    HZ2  LYS 511           HZ2      LYS 511   4.729 -14.640   3.146
 1203    HZ3  LYS 511           HZ3      LYS 511   3.285 -14.129   2.410
 1204    H    PHE 512           H        PHE 512   8.890  -8.458   4.502
 1205    HA   PHE 512           HA       PHE 512  11.747  -9.080   4.879
 1206    HB2  PHE 512           HB2      PHE 512  10.593  -7.134   2.868
 1207    HB3  PHE 512           HB1      PHE 512  12.284  -7.595   3.043
 1208    HD1  PHE 512           HD1      PHE 512  13.047  -9.803   2.332
 1209    HD2  PHE 512           HD2      PHE 512   9.025  -8.547   1.731
 1210    HE1  PHE 512           HE1      PHE 512  12.716 -11.639   0.729
 1211    HE2  PHE 512           HE2      PHE 512   8.688 -10.374   0.121
 1212    HZ   PHE 512           HZ       PHE 512  10.536 -11.928  -0.379
 1213    HA   PRO 513           HA       PRO 513  10.701  -6.205   8.197
 1214    HB2  PRO 513           HB2      PRO 513  13.621  -6.556   8.663
 1215    HB3  PRO 513           HB1      PRO 513  12.275  -6.665   9.803
 1216    HG2  PRO 513           HG2      PRO 513  13.465  -8.863   8.913
 1217    HG3  PRO 513           HG1      PRO 513  11.706  -8.810   9.127
 1218    HD2  PRO 513           HD2      PRO 513  13.317  -8.658   6.616
 1219    HD3  PRO 513           HD1      PRO 513  11.754  -9.447   6.908
 1220    H    GLU 514           H        GLU 514  13.828  -5.812   6.482
 1221    HA   GLU 514           HA       GLU 514  14.029  -3.057   7.137
 1222    HB2  GLU 514           HB2      GLU 514  15.850  -2.998   5.451
 1223    HB3  GLU 514           HB1      GLU 514  16.036  -4.282   6.634
 1224    HG2  GLU 514           HG2      GLU 514  14.675  -4.947   4.088
 1225    HG3  GLU 514           HG1      GLU 514  16.413  -4.660   4.039
 1226    H    LEU 515           H        LEU 515  12.544  -4.767   4.496
 1227    HA   LEU 515           HA       LEU 515  12.322  -2.455   2.800
 1228    HB2  LEU 515           HB2      LEU 515  12.464  -4.799   1.958
 1229    HB3  LEU 515           HB1      LEU 515  10.875  -5.102   2.632
 1230    HG   LEU 515           HG       LEU 515   9.888  -3.483   1.097
 1231   HD11  LEU 515          1HD1      LEU 515  11.250  -2.463  -0.670
 1232   HD12  LEU 515          2HD1      LEU 515  12.703  -3.137   0.069
 1233   HD13  LEU 515          3HD1      LEU 515  11.752  -1.930   0.934
 1234   HD21  LEU 515          3HD2      LEU 515  11.692  -5.500  -0.242
 1235   HD22  LEU 515          1HD2      LEU 515  10.309  -4.711  -1.003
 1236   HD23  LEU 515          2HD2      LEU 515  10.063  -5.790   0.369
 1237    H    PHE 516           H        PHE 516  10.172  -4.324   4.889
 1238    HA   PHE 516           HA       PHE 516   7.872  -2.726   4.467
 1239    HB2  PHE 516           HB2      PHE 516   8.025  -5.088   5.454
 1240    HB3  PHE 516           HB1      PHE 516   8.470  -4.306   6.965
 1241    HD1  PHE 516           HD2      PHE 516   5.906  -3.543   4.361
 1242    HD2  PHE 516           HD1      PHE 516   6.722  -4.429   8.442
 1243    HE1  PHE 516           HE2      PHE 516   3.520  -3.266   4.895
 1244    HE2  PHE 516           HE1      PHE 516   4.338  -4.162   8.979
 1245    HZ   PHE 516           HZ       PHE 516   2.732  -3.579   7.209
 1246    H    ASN 517           H        ASN 517  10.608  -2.551   6.653
 1247    HA   ASN 517           HA       ASN 517   9.618  -0.505   8.341
 1248    HB2  ASN 517           HB2      ASN 517  11.672  -2.002   8.711
 1249    HB3  ASN 517           HB1      ASN 517  12.529  -0.900   7.640
 1250   HD21  ASN 517          1HD2      ASN 517  13.007  -1.504  10.420
 1251   HD22  ASN 517          2HD2      ASN 517  12.878  -0.003  11.285
 1252    H    TRP 518           H        TRP 518  11.546  -0.460   5.357
 1253    HA   TRP 518           HA       TRP 518  11.981   2.275   5.087
 1254    HB2  TRP 518           HB2      TRP 518  12.740   0.298   3.583
 1255    HB3  TRP 518           HB1      TRP 518  11.204   0.510   2.762
 1256    HD1  TRP 518           HD1      TRP 518  14.695   1.576   2.597
 1257    HE1  TRP 518           HE1      TRP 518  14.989   3.558   0.984
 1258    HE3  TRP 518           HE3      TRP 518   9.788   2.957   2.068
 1259    HZ2  TRP 518           HZ2      TRP 518  13.378   5.460  -0.316
 1260    HZ3  TRP 518           HZ3      TRP 518   9.258   4.874   0.622
 1261    HH2  TRP 518           HH2      TRP 518  11.019   6.100  -0.545
 1262    H    PHE 519           H        PHE 519   9.241   0.317   3.955
 1263    HA   PHE 519           HA       PHE 519   7.690   2.361   2.884
 1264    HB2  PHE 519           HB2      PHE 519   7.299  -0.043   2.531
 1265    HB3  PHE 519           HB1      PHE 519   6.804  -0.210   4.210
 1266    HD1  PHE 519           HD1      PHE 519   5.929   1.753   1.152
 1267    HD2  PHE 519           HD2      PHE 519   4.580  -0.167   4.698
 1268    HE1  PHE 519           HE1      PHE 519   3.610   2.168   0.488
 1269    HE2  PHE 519           HE2      PHE 519   2.257   0.258   4.043
 1270    HZ   PHE 519           HZ       PHE 519   1.758   1.423   1.933
 1271    H    LYS 520           H        LYS 520   7.351   0.839   6.113
 1272    HA   LYS 520           HA       LYS 520   5.299   2.506   6.987
 1273    HB2  LYS 520           HB2      LYS 520   7.387   1.048   8.609
 1274    HB3  LYS 520           HB1      LYS 520   5.951   1.801   9.289
 1275    HG2  LYS 520           HG2      LYS 520   4.576   0.331   7.813
 1276    HG3  LYS 520           HG1      LYS 520   6.062  -0.500   7.356
 1277    HD2  LYS 520           HD2      LYS 520   4.968  -0.267  10.159
 1278    HD3  LYS 520           HD1      LYS 520   4.848  -1.691   9.125
 1279    HE2  LYS 520           HE2      LYS 520   7.330  -1.771   9.048
 1280    HE3  LYS 520           HE1      LYS 520   7.368  -0.439  10.203
 1281    HZ1  LYS 520           HZ1      LYS 520   7.596  -2.359  11.487
 1282    HZ2  LYS 520           HZ2      LYS 520   6.410  -3.208  10.626
 1283    HZ3  LYS 520           HZ3      LYS 520   5.956  -1.948  11.666
 1284    H    ASN 521           H        ASN 521   8.804   2.930   7.269
 1285    HA   ASN 521           HA       ASN 521   8.755   5.215   8.918
 1286    HB2  ASN 521           HB2      ASN 521  10.794   3.875   8.442
 1287    HB3  ASN 521           HB1      ASN 521  10.792   4.499   6.797
 1288   HD21  ASN 521          1HD2      ASN 521  11.359   6.652   6.430
 1289   HD22  ASN 521          2HD2      ASN 521  12.161   7.614   7.629
 1290    H    PHE 522           H        PHE 522   8.522   4.804   5.435
 1291    HA   PHE 522           HA       PHE 522   8.719   7.546   4.741
 1292    HB2  PHE 522           HB2      PHE 522   9.104   5.684   3.161
 1293    HB3  PHE 522           HB1      PHE 522   7.399   5.266   3.246
 1294    HD1  PHE 522           HD1      PHE 522   9.451   8.326   2.605
 1295    HD2  PHE 522           HD2      PHE 522   6.147   5.905   1.448
 1296    HE1  PHE 522           HE1      PHE 522   9.009   9.839   0.715
 1297    HE2  PHE 522           HE2      PHE 522   5.698   7.417  -0.442
 1298    HZ   PHE 522           HZ       PHE 522   7.130   9.386  -0.809
 1299    H    LEU 523           H        LEU 523   5.934   5.391   5.255
 1300    HA   LEU 523           HA       LEU 523   3.984   7.375   4.636
 1301    HB2  LEU 523           HB2      LEU 523   3.832   4.709   6.006
 1302    HB3  LEU 523           HB1      LEU 523   2.429   5.751   5.896
 1303    HG   LEU 523           HG       LEU 523   2.289   4.128   4.155
 1304   HD11  LEU 523          1HD1      LEU 523   2.349   5.527   2.134
 1305   HD12  LEU 523          2HD1      LEU 523   3.163   6.784   3.063
 1306   HD13  LEU 523          3HD1      LEU 523   1.523   6.292   3.493
 1307   HD21  LEU 523          3HD2      LEU 523   4.002   3.895   2.431
 1308   HD22  LEU 523          1HD2      LEU 523   4.595   3.451   4.031
 1309   HD23  LEU 523          2HD2      LEU 523   5.038   5.007   3.328
 1310    H    GLY 524           H        GLY 524   5.875   6.833   7.404
 1311    HA2  GLY 524           HA2      GLY 524   5.906   8.143   9.342
 1312    HA3  GLY 524           HA1      GLY 524   4.334   8.798   8.898
 1313    H    TYR 525           H        TYR 525   5.053   5.384   8.954
 1314    HA   TYR 525           HA       TYR 525   3.171   5.057  11.184
 1315    HB2  TYR 525           HB2      TYR 525   2.910   3.823   8.916
 1316    HB3  TYR 525           HB1      TYR 525   4.253   2.828   9.465
 1317    HD1  TYR 525           HD1      TYR 525   0.739   3.712  10.023
 1318    HD2  TYR 525           HD2      TYR 525   3.951   1.203  11.246
 1319    HE1  TYR 525           HE1      TYR 525  -0.848   2.288  11.244
 1320    HE2  TYR 525           HE2      TYR 525   2.370  -0.232  12.468
 1321    HH   TYR 525           HH       TYR 525   0.121  -0.043  13.502
 1322    H    LYS 526           H        LYS 526   4.388   5.382  12.958
 1323    HA   LYS 526           HA       LYS 526   7.114   4.665  13.165
 1324    HB2  LYS 526           HB2      LYS 526   6.101   6.545  14.388
 1325    HB3  LYS 526           HB1      LYS 526   5.141   5.414  15.326
 1326    HG2  LYS 526           HG2      LYS 526   7.133   4.496  16.327
 1327    HG3  LYS 526           HG1      LYS 526   8.142   5.528  15.315
 1328    HD2  LYS 526           HD2      LYS 526   7.280   7.506  16.389
 1329    HD3  LYS 526           HD1      LYS 526   6.128   6.543  17.316
 1330    HE2  LYS 526           HE2      LYS 526   8.077   7.198  18.660
 1331    HE3  LYS 526           HE1      LYS 526   7.944   5.449  18.494
 1332    HZ1  LYS 526           HZ1      LYS 526  10.221   6.225  18.216
 1333    HZ2  LYS 526           HZ2      LYS 526   9.748   7.188  16.900
 1334    HZ3  LYS 526           HZ3      LYS 526   9.644   5.498  16.797
 1335    H    GLU 527           H        GLU 527   4.253   2.924  13.601
 1336    HA   GLU 527           HA       GLU 527   3.748   0.832  14.325
 1337    HB2  GLU 527           HB2      GLU 527   5.875   0.269  13.046
 1338    HB3  GLU 527           HB1      GLU 527   6.725   0.344  14.581
 1339    HG2  GLU 527           HG2      GLU 527   6.275  -1.932  14.149
 1340    HG3  GLU 527           HG1      GLU 527   5.162  -1.427  15.423
 1341    H    SER 528           H        SER 528   3.256   2.515  16.115
 1342    HA   SER 528           HA       SER 528   2.939   2.919  18.314
 1343    HB2  SER 528           HB2      SER 528   4.405   0.305  18.754
 1344    HB3  SER 528           HB1      SER 528   3.414   1.153  19.941
 1345    HG   SER 528           HG       SER 528   1.949   0.852  17.749
  Start of MODEL    8
    1    H1   SER 127           HT1      SER 127 -17.248 -22.596   3.250
    2    H2   SER 127           HT2      SER 127 -16.530 -21.656   2.037
    3    H3   SER 127           HT3      SER 127 -15.602 -22.198   3.347
    4    HA   SER 127           HA       SER 127 -16.826 -23.889   1.252
    5    HB2  SER 127           HB2      SER 127 -13.901 -23.429   1.884
    6    HB3  SER 127           HB1      SER 127 -14.580 -24.264   0.486
    7    HG   SER 127           HG       SER 127 -13.887 -21.813   0.506
    8    H    ASN 128           H        ASN 128 -15.824 -26.153   1.406
    9    HA   ASN 128           HA       ASN 128 -16.148 -27.037   4.164
   10    HB2  ASN 128           HB2      ASN 128 -16.013 -28.496   1.531
   11    HB3  ASN 128           HB1      ASN 128 -15.946 -29.355   3.068
   12   HD21  ASN 128          1HD2      ASN 128 -17.978 -29.433   0.965
   13   HD22  ASN 128          2HD2      ASN 128 -19.470 -28.987   1.731
   14    H    ALA 129           H        ALA 129 -13.611 -26.587   1.861
   15    HA   ALA 129           HA       ALA 129 -11.717 -27.658   3.850
   16    HB1  ALA 129           HB1      ALA 129 -11.804 -29.072   1.834
   17    HB2  ALA 129           HB2      ALA 129 -10.228 -28.317   2.057
   18    HB3  ALA 129           HB3      ALA 129 -11.349 -27.677   0.856
   19    H    GLY 130           H        GLY 130 -10.485 -26.136   4.704
   20    HA2  GLY 130           HA2      GLY 130  -9.925 -23.717   3.098
   21    HA3  GLY 130           HA1      GLY 130 -10.226 -23.666   4.832
   22    H    SER 131           H        SER 131  -7.875 -22.722   3.407
   23    HA   SER 131           HA       SER 131  -5.891 -24.293   4.869
   24    HB2  SER 131           HB2      SER 131  -5.925 -25.108   2.510
   25    HB3  SER 131           HB1      SER 131  -5.527 -23.476   1.976
   26    HG   SER 131           HG       SER 131  -3.526 -23.825   2.469
   27    H    ASP 132           H        ASP 132  -5.820 -22.585   6.331
   28    HA   ASP 132           HA       ASP 132  -5.293 -19.890   5.558
   29    HB2  ASP 132           HB2      ASP 132  -4.893 -21.243   8.239
   30    HB3  ASP 132           HB1      ASP 132  -4.858 -19.506   7.956
   31    H    ASP 133           H        ASP 133  -3.411 -19.020   4.971
   32    HA   ASP 133           HA       ASP 133  -0.987 -20.626   5.377
   33    HB2  ASP 133           HB2      ASP 133  -1.505 -19.986   3.052
   34    HB3  ASP 133           HB1      ASP 133  -1.433 -18.287   3.511
   35    H    ASP 134           H        ASP 134   0.744 -19.903   6.476
   36    HA   ASP 134           HA       ASP 134   0.719 -17.137   7.481
   37    HB2  ASP 134           HB2      ASP 134   1.229 -19.682   9.018
   38    HB3  ASP 134           HB1      ASP 134   1.883 -18.140   9.561
   39    H    GLY 135           H        GLY 135   2.051 -18.557   5.227
   40    HA2  GLY 135           HA2      GLY 135   4.211 -17.890   4.370
   41    HA3  GLY 135           HA1      GLY 135   4.849 -18.022   6.005
   42    H    GLY 136           H        GLY 136   4.105 -19.680   3.084
   43    HA2  GLY 136           HA2      GLY 136   4.319 -22.342   4.003
   44    HA3  GLY 136           HA1      GLY 136   4.555 -21.804   2.347
   45    H    ASP 137           H        ASP 137   6.018 -23.768   4.070
   46    HA   ASP 137           HA       ASP 137   8.666 -22.521   4.211
   47    HB2  ASP 137           HB2      ASP 137   9.334 -24.435   5.547
   48    HB3  ASP 137           HB1      ASP 137   7.840 -23.766   6.197
   49    H    SER 138           H        SER 138   7.138 -23.520   1.770
   50    HA   SER 138           HA       SER 138   8.288 -25.776   0.648
   51    HB2  SER 138           HB2      SER 138   6.384 -24.528  -0.329
   52    HB3  SER 138           HB1      SER 138   7.482 -23.225  -0.778
   53    HG   SER 138           HG       SER 138   8.633 -24.877  -2.030
   54    HA   PRO 139           HA       PRO 139  12.610 -24.775   0.216
   55    HB2  PRO 139           HB2      PRO 139  12.379 -26.618  -2.108
   56    HB3  PRO 139           HB1      PRO 139  13.510 -26.657  -0.751
   57    HG2  PRO 139           HG2      PRO 139  11.487 -28.380  -0.879
   58    HG3  PRO 139           HG1      PRO 139  11.968 -27.661   0.671
   59    HD2  PRO 139           HD2      PRO 139   9.643 -27.003  -1.090
   60    HD3  PRO 139           HD1      PRO 139   9.740 -27.053   0.683
   61    H    VAL 140           H        VAL 140  13.526 -23.118  -0.791
   62    HA   VAL 140           HA       VAL 140  13.806 -21.329  -2.147
   63    HB   VAL 140           HB       VAL 140  12.873 -23.196  -4.338
   64   HG11  VAL 140          1HG1      VAL 140  12.795 -20.832  -4.989
   65   HG12  VAL 140          2HG1      VAL 140  14.062 -21.707  -5.852
   66   HG13  VAL 140          3HG1      VAL 140  14.481 -20.650  -4.505
   67   HG21  VAL 140          3HG2      VAL 140  15.649 -22.569  -3.337
   68   HG22  VAL 140          1HG2      VAL 140  15.266 -23.552  -4.751
   69   HG23  VAL 140          2HG2      VAL 140  14.788 -24.098  -3.142
   70    H    GLN 141           H        GLN 141  12.228 -20.071  -1.209
   71    HA   GLN 141           HA       GLN 141   9.503 -20.229  -2.207
   72    HB2  GLN 141           HB2      GLN 141  10.022 -19.943   0.234
   73    HB3  GLN 141           HB1      GLN 141  10.636 -18.339  -0.143
   74    HG2  GLN 141           HG2      GLN 141   8.409 -17.735  -1.022
   75    HG3  GLN 141           HG1      GLN 141   7.815 -19.317  -0.519
   76   HE21  GLN 141          1HE2      GLN 141   6.956 -16.684   0.338
   77   HE22  GLN 141          2HE2      GLN 141   7.165 -16.640   2.055
   78    H    ASP 142           H        ASP 142   9.588 -19.467  -4.267
   79    HA   ASP 142           HA       ASP 142  10.599 -16.763  -4.741
   80    HB2  ASP 142           HB2      ASP 142  10.327 -17.229  -7.087
   81    HB3  ASP 142           HB1      ASP 142  11.116 -18.621  -6.353
   82    H    ILE 143           H        ILE 143   7.738 -18.500  -4.150
   83    HA   ILE 143           HA       ILE 143   5.618 -17.853  -3.702
   84    HB   ILE 143           HB       ILE 143   6.442 -15.013  -4.303
   85   HG12  ILE 143          2HG1      ILE 143   6.419 -16.461  -1.646
   86   HG13  ILE 143          1HG1      ILE 143   7.870 -16.037  -2.549
   87   HG21  ILE 143          1HG2      ILE 143   4.153 -16.167  -2.722
   88   HG22  ILE 143          2HG2      ILE 143   4.045 -15.332  -4.272
   89   HG23  ILE 143          3HG2      ILE 143   4.547 -14.452  -2.827
   90   HD11  ILE 143          3HD1      ILE 143   5.874 -14.085  -1.429
   91   HD12  ILE 143          1HD1      ILE 143   7.358 -13.680  -2.292
   92   HD13  ILE 143          2HD1      ILE 143   7.441 -14.481  -0.722
   93    H    ASP 144           H        ASP 144   3.724 -17.697  -4.837
   94    HA   ASP 144           HA       ASP 144   3.943 -17.460  -7.727
   95    HB2  ASP 144           HB2      ASP 144   2.644 -19.325  -6.794
   96    HB3  ASP 144           HB1      ASP 144   1.600 -18.188  -5.948
   97    H    THR 145           H        THR 145   1.638 -16.281  -5.314
   98    HA   THR 145           HA       THR 145   2.020 -13.529  -6.031
   99    HB   THR 145           HB       THR 145  -0.639 -14.832  -6.676
  100    HG1  THR 145           HG1      THR 145   1.499 -14.481  -8.170
  101   HG21  THR 145          3HG2      THR 145   0.175 -11.923  -6.796
  102   HG22  THR 145          1HG2      THR 145  -0.947 -12.635  -5.635
  103   HG23  THR 145          2HG2      THR 145  -1.365 -12.584  -7.346
  104    HA   PRO 146           HA       PRO 146   0.937 -13.751  -1.647
  105    HB2  PRO 146           HB2      PRO 146   1.438 -10.844  -1.842
  106    HB3  PRO 146           HB1      PRO 146   2.166 -12.036  -0.763
  107    HG2  PRO 146           HG2      PRO 146   3.546 -10.972  -2.791
  108    HG3  PRO 146           HG1      PRO 146   3.754 -12.669  -2.317
  109    HD2  PRO 146           HD2      PRO 146   2.211 -11.518  -4.613
  110    HD3  PRO 146           HD1      PRO 146   3.233 -12.972  -4.558
  111    H    GLU 147           H        GLU 147  -1.004 -13.411  -0.682
  112    HA   GLU 147           HA       GLU 147  -3.008 -12.048  -2.300
  113    HB2  GLU 147           HB2      GLU 147  -3.109 -14.198  -0.239
  114    HB3  GLU 147           HB1      GLU 147  -4.538 -13.203  -0.502
  115    HG2  GLU 147           HG2      GLU 147  -4.659 -13.835  -2.775
  116    HG3  GLU 147           HG1      GLU 147  -3.091 -14.635  -2.701
  117    H    VAL 148           H        VAL 148  -4.037 -10.307  -1.721
  118    HA   VAL 148           HA       VAL 148  -3.297  -9.026   0.781
  119    HB   VAL 148           HB       VAL 148  -3.081  -7.571  -1.083
  120   HG11  VAL 148          1HG1      VAL 148  -5.912  -8.284  -1.839
  121   HG12  VAL 148          2HG1      VAL 148  -4.450  -8.793  -2.684
  122   HG13  VAL 148          3HG1      VAL 148  -4.899  -7.087  -2.647
  123   HG21  VAL 148          3HG2      VAL 148  -5.685  -6.933   0.284
  124   HG22  VAL 148          1HG2      VAL 148  -4.660  -5.785  -0.577
  125   HG23  VAL 148          2HG2      VAL 148  -4.075  -6.556   0.899
  126    H    ASP 149           H        ASP 149  -4.464  -9.839   2.399
  127    HA   ASP 149           HA       ASP 149  -7.225 -10.494   2.227
  128    HB2  ASP 149           HB2      ASP 149  -5.757 -11.532   3.898
  129    HB3  ASP 149           HB1      ASP 149  -5.510  -9.965   4.664
  130    H    LEU 150           H        LEU 150  -8.839  -9.112   2.082
  131    HA   LEU 150           HA       LEU 150  -8.461  -6.346   2.949
  132    HB2  LEU 150           HB2      LEU 150 -10.630  -7.635   1.290
  133    HB3  LEU 150           HB1      LEU 150 -10.566  -5.928   1.693
  134    HG   LEU 150           HG       LEU 150  -8.407  -7.344   0.132
  135   HD11  LEU 150          1HD1      LEU 150 -10.519  -7.426  -1.092
  136   HD12  LEU 150          2HD1      LEU 150  -9.370  -6.323  -1.851
  137   HD13  LEU 150          3HD1      LEU 150 -10.703  -5.683  -0.890
  138   HD21  LEU 150          3HD2      LEU 150  -7.685  -5.307   1.248
  139   HD22  LEU 150          1HD2      LEU 150  -9.047  -4.427   0.550
  140   HD23  LEU 150          2HD2      LEU 150  -7.777  -5.062  -0.495
  141    H    TYR 151           H        TYR 151  -9.431  -9.078   4.355
  142    HA   TYR 151           HA       TYR 151 -11.884  -8.186   5.590
  143    HB2  TYR 151           HB2      TYR 151 -11.546 -10.568   5.141
  144    HB3  TYR 151           HB1      TYR 151 -10.097 -10.574   6.137
  145    HD1  TYR 151           HD2      TYR 151 -13.783 -10.196   6.234
  146    HD2  TYR 151           HD1      TYR 151 -10.232 -10.898   8.475
  147    HE1  TYR 151           HE2      TYR 151 -15.141 -10.794   8.195
  148    HE2  TYR 151           HE1      TYR 151 -11.582 -11.500  10.438
  149    HH   TYR 151           HH       TYR 151 -14.915 -12.112  10.258
  150    H    GLN 152           H        GLN 152  -8.495  -8.158   6.224
  151    HA   GLN 152           HA       GLN 152  -8.542  -7.668   9.001
  152    HB2  GLN 152           HB2      GLN 152  -6.250  -7.327   8.801
  153    HB3  GLN 152           HB1      GLN 152  -6.598  -8.335   7.406
  154    HG2  GLN 152           HG2      GLN 152  -6.719  -6.262   6.030
  155    HG3  GLN 152           HG1      GLN 152  -6.145  -5.368   7.438
  156   HE21  GLN 152          1HE2      GLN 152  -5.312  -7.487   4.862
  157   HE22  GLN 152          2HE2      GLN 152  -3.603  -7.498   5.147
  158    H    LEU 153           H        LEU 153  -9.328  -5.681   6.334
  159    HA   LEU 153           HA       LEU 153  -8.472  -3.179   7.388
  160    HB2  LEU 153           HB2      LEU 153 -10.424  -3.845   5.193
  161    HB3  LEU 153           HB1      LEU 153  -9.891  -2.220   5.577
  162    HG   LEU 153           HG       LEU 153  -8.173  -4.476   4.554
  163   HD11  LEU 153          1HD1      LEU 153  -9.618  -3.458   2.869
  164   HD12  LEU 153          2HD1      LEU 153  -7.924  -3.048   2.590
  165   HD13  LEU 153          3HD1      LEU 153  -9.011  -1.861   3.310
  166   HD21  LEU 153          3HD2      LEU 153  -7.396  -1.641   5.234
  167   HD22  LEU 153          1HD2      LEU 153  -6.348  -2.882   4.549
  168   HD23  LEU 153          2HD2      LEU 153  -6.978  -3.068   6.183
  169    H    GLN 154           H        GLN 154  -9.933  -1.361   7.759
  170    HA   GLN 154           HA       GLN 154 -11.928  -1.967   9.707
  171    HB2  GLN 154           HB2      GLN 154 -11.203   0.613   8.310
  172    HB3  GLN 154           HB1      GLN 154 -12.363   0.496   9.628
  173    HG2  GLN 154           HG2      GLN 154 -10.663  -0.223  11.145
  174    HG3  GLN 154           HG1      GLN 154  -9.481  -0.335   9.841
  175   HE21  GLN 154          1HE2      GLN 154 -10.349   2.102   8.545
  176   HE22  GLN 154          2HE2      GLN 154  -9.776   3.410   9.525
  177    H    VAL 155           H        VAL 155 -14.171  -1.455   9.598
  178    HA   VAL 155           HA       VAL 155 -15.469  -2.321   7.242
  179    HB   VAL 155           HB       VAL 155 -16.714  -0.692   9.462
  180   HG11  VAL 155          1HG1      VAL 155 -18.102  -0.900   7.469
  181   HG12  VAL 155          2HG1      VAL 155 -18.779  -1.827   8.807
  182   HG13  VAL 155          3HG1      VAL 155 -17.915  -2.656   7.512
  183   HG21  VAL 155          3HG2      VAL 155 -15.590  -2.573  10.453
  184   HG22  VAL 155          1HG2      VAL 155 -16.302  -3.669   9.267
  185   HG23  VAL 155          2HG2      VAL 155 -17.326  -2.869  10.457
  186    H    ASN 156           H        ASN 156 -15.033   0.895   8.671
  187    HA   ASN 156           HA       ASN 156 -16.443   2.332   6.724
  188    HB2  ASN 156           HB2      ASN 156 -15.762   3.291   8.902
  189    HB3  ASN 156           HB1      ASN 156 -14.084   3.275   8.372
  190   HD21  ASN 156          1HD2      ASN 156 -17.184   4.789   8.029
  191   HD22  ASN 156          2HD2      ASN 156 -16.642   6.177   7.154
  192    H    THR 157           H        THR 157 -13.160   1.143   6.809
  193    HA   THR 157           HA       THR 157 -12.083   2.588   4.662
  194    HB   THR 157           HB       THR 157 -11.402  -0.228   5.539
  195    HG1  THR 157           HG1      THR 157  -9.767   0.902   6.793
  196   HG21  THR 157          3HG2      THR 157 -10.441   0.357   3.370
  197   HG22  THR 157          1HG2      THR 157  -9.190   0.247   4.607
  198   HG23  THR 157          2HG2      THR 157  -9.756   1.827   4.064
  199    H    LEU 158           H        LEU 158 -13.578  -0.646   4.731
  200    HA   LEU 158           HA       LEU 158 -13.405  -1.115   1.957
  201    HB2  LEU 158           HB2      LEU 158 -15.328  -2.240   3.997
  202    HB3  LEU 158           HB1      LEU 158 -15.106  -2.871   2.375
  203    HG   LEU 158           HG       LEU 158 -12.948  -2.791   4.490
  204   HD11  LEU 158          1HD1      LEU 158 -14.725  -4.312   5.121
  205   HD12  LEU 158          2HD1      LEU 158 -13.283  -5.204   4.632
  206   HD13  LEU 158          3HD1      LEU 158 -14.658  -5.074   3.533
  207   HD21  LEU 158          3HD2      LEU 158 -13.047  -4.124   1.787
  208   HD22  LEU 158          1HD2      LEU 158 -11.743  -4.270   2.965
  209   HD23  LEU 158          2HD2      LEU 158 -12.081  -2.713   2.212
  210    H    ARG 159           H        ARG 159 -15.913   0.324   3.972
  211    HA   ARG 159           HA       ARG 159 -17.850   0.582   1.919
  212    HB2  ARG 159           HB2      ARG 159 -17.511   2.145   4.482
  213    HB3  ARG 159           HB1      ARG 159 -18.926   2.221   3.441
  214    HG2  ARG 159           HG2      ARG 159 -19.334  -0.160   3.835
  215    HG3  ARG 159           HG1      ARG 159 -17.927  -0.214   4.899
  216    HD2  ARG 159           HD2      ARG 159 -19.920  -0.009   6.233
  217    HD3  ARG 159           HD1      ARG 159 -19.000   1.491   6.335
  218    HE   ARG 159           HE       ARG 159 -20.849   1.792   4.273
  219   HH11  ARG 159          1HH1      ARG 159 -20.818   1.394   7.760
  220   HH12  ARG 159          2HH1      ARG 159 -22.354   2.172   7.985
  221   HH21  ARG 159          1HH2      ARG 159 -22.867   2.838   4.586
  222   HH22  ARG 159          2HH2      ARG 159 -23.503   3.007   6.199
  223    H    ARG 160           H        ARG 160 -15.119   2.508   2.917
  224    HA   ARG 160           HA       ARG 160 -15.873   4.889   1.553
  225    HB2  ARG 160           HB2      ARG 160 -14.111   4.559   3.427
  226    HB3  ARG 160           HB1      ARG 160 -13.029   4.095   2.123
  227    HG2  ARG 160           HG2      ARG 160 -13.373   6.258   1.052
  228    HG3  ARG 160           HG1      ARG 160 -14.465   6.730   2.351
  229    HD2  ARG 160           HD2      ARG 160 -11.533   6.077   2.617
  230    HD3  ARG 160           HD1      ARG 160 -12.260   7.679   2.711
  231    HE   ARG 160           HE       ARG 160 -13.442   6.021   4.649
  232   HH11  ARG 160          1HH1      ARG 160 -10.388   7.573   3.951
  233   HH12  ARG 160          2HH1      ARG 160  -9.925   7.716   5.622
  234   HH21  ARG 160          1HH2      ARG 160 -12.849   6.192   6.846
  235   HH22  ARG 160          2HH2      ARG 160 -11.331   6.932   7.277
  236    H    TYR 161           H        TYR 161 -13.809   2.117   0.759
  237    HA   TYR 161           HA       TYR 161 -13.032   2.839  -1.814
  238    HB2  TYR 161           HB2      TYR 161 -12.185   0.839  -0.643
  239    HB3  TYR 161           HB1      TYR 161 -13.764   0.077  -0.803
  240    HD1  TYR 161           HD2      TYR 161 -14.527  -0.766  -2.967
  241    HD2  TYR 161           HD1      TYR 161 -10.695   1.029  -2.544
  242    HE1  TYR 161           HE2      TYR 161 -13.866  -1.673  -5.153
  243    HE2  TYR 161           HE1      TYR 161 -10.024   0.128  -4.730
  244    HH   TYR 161           HH       TYR 161 -10.635  -1.667  -6.248
  245    H    LYS 162           H        LYS 162 -15.896   1.020  -0.785
  246    HA   LYS 162           HA       LYS 162 -17.023   0.646  -3.311
  247    HB2  LYS 162           HB2      LYS 162 -18.306   0.821  -0.593
  248    HB3  LYS 162           HB1      LYS 162 -19.173   0.346  -2.047
  249    HG2  LYS 162           HG2      LYS 162 -17.639  -1.546  -2.328
  250    HG3  LYS 162           HG1      LYS 162 -16.811  -1.077  -0.842
  251    HD2  LYS 162           HD2      LYS 162 -18.338  -2.840  -0.310
  252    HD3  LYS 162           HD1      LYS 162 -18.979  -1.344   0.366
  253    HE2  LYS 162           HE2      LYS 162 -19.851  -2.507  -2.275
  254    HE3  LYS 162           HE1      LYS 162 -20.674  -2.816  -0.749
  255    HZ1  LYS 162           HZ1      LYS 162 -21.069  -0.420  -0.542
  256    HZ2  LYS 162           HZ2      LYS 162 -21.758  -1.046  -1.955
  257    HZ3  LYS 162           HZ3      LYS 162 -20.324  -0.164  -2.040
  258    H    ARG 163           H        ARG 163 -17.246   3.369  -1.111
  259    HA   ARG 163           HA       ARG 163 -19.345   4.643  -2.596
  260    HB2  ARG 163           HB2      ARG 163 -19.195   5.070  -0.251
  261    HB3  ARG 163           HB1      ARG 163 -17.528   5.606  -0.394
  262    HG2  ARG 163           HG2      ARG 163 -18.205   7.581  -1.571
  263    HG3  ARG 163           HG1      ARG 163 -19.874   7.014  -1.648
  264    HD2  ARG 163           HD2      ARG 163 -18.401   7.550   0.926
  265    HD3  ARG 163           HD1      ARG 163 -19.422   8.737   0.115
  266    HE   ARG 163           HE       ARG 163 -20.779   6.260   0.581
  267   HH11  ARG 163          1HH1      ARG 163 -19.779   9.245   2.126
  268   HH12  ARG 163          2HH1      ARG 163 -21.131   9.267   3.230
  269   HH21  ARG 163          1HH2      ARG 163 -22.528   6.276   2.023
  270   HH22  ARG 163          2HH2      ARG 163 -22.694   7.571   3.170
  271    H    HIS 164           H        HIS 164 -15.830   5.037  -2.358
  272    HA   HIS 164           HA       HIS 164 -15.711   7.329  -4.020
  273    HB2  HIS 164           HB2      HIS 164 -13.714   5.383  -2.978
  274    HB3  HIS 164           HB1      HIS 164 -13.245   6.405  -4.331
  275    HD1  HIS 164           HD1      HIS 164 -12.386   8.655  -3.751
  276    HD2  HIS 164           HD2      HIS 164 -14.602   6.978  -0.653
  277    HE1  HIS 164           HE1      HIS 164 -12.153  10.242  -1.807
  278    HE2  HIS 164           HE2      HIS 164 -13.439   9.169   0.082
  279    H    PHE 165           H        PHE 165 -15.391   3.870  -4.707
  280    HA   PHE 165           HA       PHE 165 -14.926   4.466  -7.517
  281    HB2  PHE 165           HB2      PHE 165 -14.749   1.973  -5.860
  282    HB3  PHE 165           HB1      PHE 165 -14.800   1.869  -7.617
  283    HD1  PHE 165           HD1      PHE 165 -12.836   2.916  -4.713
  284    HD2  PHE 165           HD2      PHE 165 -12.960   2.675  -8.961
  285    HE1  PHE 165           HE1      PHE 165 -10.421   3.362  -4.809
  286    HE2  PHE 165           HE2      PHE 165 -10.542   3.118  -9.062
  287    HZ   PHE 165           HZ       PHE 165  -9.270   3.465  -6.984
  288    H    LYS 166           H        LYS 166 -17.567   4.182  -5.618
  289    HA   LYS 166           HA       LYS 166 -19.785   3.874  -5.950
  290    HB2  LYS 166           HB2      LYS 166 -19.089   4.111  -8.880
  291    HB3  LYS 166           HB1      LYS 166 -20.687   4.304  -8.176
  292    HG2  LYS 166           HG2      LYS 166 -18.308   6.077  -7.671
  293    HG3  LYS 166           HG1      LYS 166 -19.690   6.450  -8.702
  294    HD2  LYS 166           HD2      LYS 166 -21.173   6.382  -6.783
  295    HD3  LYS 166           HD1      LYS 166 -19.832   5.912  -5.737
  296    HE2  LYS 166           HE2      LYS 166 -20.071   8.509  -7.254
  297    HE3  LYS 166           HE1      LYS 166 -20.334   8.295  -5.525
  298    HZ1  LYS 166           HZ1      LYS 166 -18.136   9.149  -5.905
  299    HZ2  LYS 166           HZ2      LYS 166 -17.777   7.893  -6.986
  300    HZ3  LYS 166           HZ3      LYS 166 -18.013   7.555  -5.339
  301    H    LEU 167           H        LEU 167 -19.552   1.687  -5.150
  302    HA   LEU 167           HA       LEU 167 -19.725  -0.375  -7.232
  303    HB2  LEU 167           HB2      LEU 167 -18.920  -0.414  -4.356
  304    HB3  LEU 167           HB1      LEU 167 -19.535  -1.874  -5.097
  305    HG   LEU 167           HG       LEU 167 -17.729  -1.790  -6.772
  306   HD11  LEU 167          1HD1      LEU 167 -15.877  -0.254  -6.518
  307   HD12  LEU 167          2HD1      LEU 167 -16.713   0.557  -5.195
  308   HD13  LEU 167          3HD1      LEU 167 -17.379   0.617  -6.826
  309   HD21  LEU 167          3HD2      LEU 167 -15.887  -2.354  -5.272
  310   HD22  LEU 167          1HD2      LEU 167 -17.405  -3.070  -4.730
  311   HD23  LEU 167          2HD2      LEU 167 -16.768  -1.637  -3.923
  312    HA   PRO 168           HA       PRO 168 -24.100  -0.310  -6.560
  313    HB2  PRO 168           HB2      PRO 168 -24.150  -2.679  -8.278
  314    HB3  PRO 168           HB1      PRO 168 -24.810  -1.069  -8.575
  315    HG2  PRO 168           HG2      PRO 168 -22.656  -2.018  -9.904
  316    HG3  PRO 168           HG1      PRO 168 -22.859  -0.300  -9.519
  317    HD2  PRO 168           HD2      PRO 168 -21.169  -2.362  -8.157
  318    HD3  PRO 168           HD1      PRO 168 -20.793  -0.667  -8.533
  319    H    THR 169           H        THR 169 -25.259  -1.165  -4.965
  320    HA   THR 169           HA       THR 169 -25.619  -3.890  -4.464
  321    HB   THR 169           HB       THR 169 -23.292  -3.847  -3.678
  322    HG1  THR 169           HG1      THR 169 -24.932  -5.139  -2.558
  323   HG21  THR 169          3HG2      THR 169 -23.100  -1.527  -3.050
  324   HG22  THR 169          1HG2      THR 169 -22.705  -2.551  -1.670
  325   HG23  THR 169          2HG2      THR 169 -24.276  -1.752  -1.752
  326    H    ARG 170           H        ARG 170 -26.715  -4.212  -2.285
  327    HA   ARG 170           HA       ARG 170 -28.629  -2.081  -1.913
  328    HB2  ARG 170           HB2      ARG 170 -29.725  -3.696  -0.370
  329    HB3  ARG 170           HB1      ARG 170 -29.465  -4.343  -1.982
  330    HG2  ARG 170           HG2      ARG 170 -27.479  -5.540  -1.158
  331    HG3  ARG 170           HG1      ARG 170 -27.810  -4.930   0.465
  332    HD2  ARG 170           HD2      ARG 170 -28.652  -7.200   0.197
  333    HD3  ARG 170           HD1      ARG 170 -29.972  -6.061   0.454
  334    HE   ARG 170           HE       ARG 170 -29.346  -6.698  -2.313
  335   HH11  ARG 170          1HH1      ARG 170 -31.349  -7.354   0.483
  336   HH12  ARG 170          2HH1      ARG 170 -32.618  -8.106  -0.440
  337   HH21  ARG 170          1HH2      ARG 170 -31.002  -7.669  -3.532
  338   HH22  ARG 170          2HH2      ARG 170 -32.435  -8.259  -2.737
  339    HA   PRO 171           HA       PRO 171 -26.700  -0.248   1.615
  340    HB2  PRO 171           HB2      PRO 171 -29.369   0.374   2.662
  341    HB3  PRO 171           HB1      PRO 171 -28.105   1.471   2.098
  342    HG2  PRO 171           HG2      PRO 171 -30.376   1.082   0.706
  343    HG3  PRO 171           HG1      PRO 171 -28.820   1.382  -0.093
  344    HD2  PRO 171           HD2      PRO 171 -30.263  -1.214   0.330
  345    HD3  PRO 171           HD1      PRO 171 -29.412  -0.621  -1.113
  346    H    GLY 172           H        GLY 172 -25.958  -1.091   3.463
  347    HA2  GLY 172           HA2      GLY 172 -26.299  -1.849   5.702
  348    HA3  GLY 172           HA1      GLY 172 -27.794  -2.607   5.179
  349    H    LEU 173           H        LEU 173 -24.385  -2.765   4.166
  350    HA   LEU 173           HA       LEU 173 -24.635  -5.664   3.903
  351    HB2  LEU 173           HB2      LEU 173 -22.379  -3.820   3.120
  352    HB3  LEU 173           HB1      LEU 173 -22.450  -5.540   2.791
  353    HG   LEU 173           HG       LEU 173 -24.381  -3.506   1.673
  354   HD11  LEU 173          1HD1      LEU 173 -21.991  -4.848   0.422
  355   HD12  LEU 173          2HD1      LEU 173 -22.159  -3.132   0.797
  356   HD13  LEU 173          3HD1      LEU 173 -23.179  -3.870  -0.440
  357   HD21  LEU 173          3HD2      LEU 173 -25.000  -5.339   0.152
  358   HD22  LEU 173          1HD2      LEU 173 -25.356  -5.721   1.839
  359   HD23  LEU 173          2HD2      LEU 173 -23.941  -6.425   1.052
  360    H    ASN 174           H        ASN 174 -23.294  -7.104   4.984
  361    HA   ASN 174           HA       ASN 174 -22.145  -6.141   7.464
  362    HB2  ASN 174           HB2      ASN 174 -22.645  -8.866   6.309
  363    HB3  ASN 174           HB1      ASN 174 -21.552  -8.672   7.677
  364   HD21  ASN 174          1HD2      ASN 174 -24.843  -8.488   6.582
  365   HD22  ASN 174          2HD2      ASN 174 -25.560  -8.388   8.155
  366    H    LYS 175           H        LYS 175 -19.983  -7.426   8.036
  367    HA   LYS 175           HA       LYS 175 -17.962  -6.098   6.649
  368    HB2  LYS 175           HB2      LYS 175 -17.698  -6.832   8.953
  369    HB3  LYS 175           HB1      LYS 175 -17.794  -8.513   8.458
  370    HG2  LYS 175           HG2      LYS 175 -15.505  -7.835   8.946
  371    HG3  LYS 175           HG1      LYS 175 -15.694  -8.308   7.258
  372    HD2  LYS 175           HD2      LYS 175 -15.731  -6.011   6.559
  373    HD3  LYS 175           HD1      LYS 175 -15.751  -5.451   8.234
  374    HE2  LYS 175           HE2      LYS 175 -13.521  -7.005   6.923
  375    HE3  LYS 175           HE1      LYS 175 -13.525  -5.263   7.191
  376    HZ1  LYS 175           HZ1      LYS 175 -13.671  -7.314   9.343
  377    HZ2  LYS 175           HZ2      LYS 175 -13.573  -5.636   9.561
  378    HZ3  LYS 175           HZ3      LYS 175 -12.268  -6.481   8.884
  379    H    ALA 176           H        ALA 176 -18.814  -9.569   6.552
  380    HA   ALA 176           HA       ALA 176 -16.861 -10.359   4.711
  381    HB1  ALA 176           HB1      ALA 176 -18.251 -12.322   4.303
  382    HB2  ALA 176           HB2      ALA 176 -19.614 -11.532   5.098
  383    HB3  ALA 176           HB3      ALA 176 -18.172 -11.949   6.025
  384    H    GLN 177           H        GLN 177 -20.116  -9.111   4.192
  385    HA   GLN 177           HA       GLN 177 -20.290  -9.482   1.423
  386    HB2  GLN 177           HB2      GLN 177 -21.479  -7.308   3.162
  387    HB3  GLN 177           HB1      GLN 177 -21.947  -7.617   1.495
  388    HG2  GLN 177           HG2      GLN 177 -22.251  -9.525   3.803
  389    HG3  GLN 177           HG1      GLN 177 -23.537  -8.578   3.055
  390   HE21  GLN 177          1HE2      GLN 177 -24.245  -9.126   0.981
  391   HE22  GLN 177          2HE2      GLN 177 -23.934 -10.680   0.288
  392    H    LEU 178           H        LEU 178 -19.128  -6.727   3.328
  393    HA   LEU 178           HA       LEU 178 -18.518  -5.019   1.192
  394    HB2  LEU 178           HB2      LEU 178 -17.192  -5.204   3.898
  395    HB3  LEU 178           HB1      LEU 178 -17.051  -3.853   2.786
  396    HG   LEU 178           HG       LEU 178 -19.609  -4.755   4.111
  397   HD11  LEU 178          1HD1      LEU 178 -19.409  -2.719   5.421
  398   HD12  LEU 178          2HD1      LEU 178 -17.872  -2.350   4.639
  399   HD13  LEU 178          3HD1      LEU 178 -18.014  -3.767   5.680
  400   HD21  LEU 178          3HD2      LEU 178 -20.536  -2.679   3.212
  401   HD22  LEU 178          1HD2      LEU 178 -19.993  -3.754   1.922
  402   HD23  LEU 178          2HD2      LEU 178 -19.015  -2.358   2.379
  403    H    VAL 179           H        VAL 179 -16.480  -7.341   2.940
  404    HA   VAL 179           HA       VAL 179 -14.052  -6.684   1.716
  405    HB   VAL 179           HB       VAL 179 -14.814  -9.440   2.694
  406   HG11  VAL 179          1HG1      VAL 179 -12.156  -8.042   2.478
  407   HG12  VAL 179          2HG1      VAL 179 -12.730  -9.344   1.433
  408   HG13  VAL 179          3HG1      VAL 179 -12.420  -9.655   3.142
  409   HG21  VAL 179          3HG2      VAL 179 -13.932  -8.779   4.863
  410   HG22  VAL 179          1HG2      VAL 179 -15.305  -7.766   4.412
  411   HG23  VAL 179          2HG2      VAL 179 -13.661  -7.141   4.265
  412    H    GLU 180           H        GLU 180 -16.453  -9.152   0.830
  413    HA   GLU 180           HA       GLU 180 -14.931 -10.174  -1.330
  414    HB2  GLU 180           HB2      GLU 180 -17.878 -10.377  -0.723
  415    HB3  GLU 180           HB1      GLU 180 -17.070 -11.270  -2.005
  416    HG2  GLU 180           HG2      GLU 180 -16.431 -11.460   0.931
  417    HG3  GLU 180           HG1      GLU 180 -17.385 -12.620   0.008
  418    H    ILE 181           H        ILE 181 -17.476  -7.720  -1.148
  419    HA   ILE 181           HA       ILE 181 -17.673  -7.349  -3.955
  420    HB   ILE 181           HB       ILE 181 -18.364  -5.472  -1.693
  421   HG12  ILE 181          2HG1      ILE 181 -20.082  -7.268  -3.424
  422   HG13  ILE 181          1HG1      ILE 181 -19.659  -7.563  -1.741
  423   HG21  ILE 181          1HG2      ILE 181 -19.006  -5.263  -4.630
  424   HG22  ILE 181          2HG2      ILE 181 -17.978  -4.178  -3.692
  425   HG23  ILE 181          3HG2      ILE 181 -19.710  -4.257  -3.364
  426   HD11  ILE 181          3HD1      ILE 181 -21.319  -5.273  -2.773
  427   HD12  ILE 181          1HD1      ILE 181 -20.892  -5.557  -1.085
  428   HD13  ILE 181          2HD1      ILE 181 -21.916  -6.709  -1.940
  429    H    VAL 182           H        VAL 182 -15.851  -5.604  -1.430
  430    HA   VAL 182           HA       VAL 182 -14.622  -3.724  -3.096
  431    HB   VAL 182           HB       VAL 182 -13.577  -4.986  -0.553
  432   HG11  VAL 182          1HG1      VAL 182 -12.004  -3.092  -0.456
  433   HG12  VAL 182          2HG1      VAL 182 -12.519  -2.600  -2.070
  434   HG13  VAL 182          3HG1      VAL 182 -11.698  -4.144  -1.839
  435   HG21  VAL 182          3HG2      VAL 182 -14.846  -2.299  -1.069
  436   HG22  VAL 182          1HG2      VAL 182 -14.269  -2.898   0.486
  437   HG23  VAL 182          2HG2      VAL 182 -15.636  -3.680  -0.309
  438    H    GLY 183           H        GLY 183 -13.551  -6.971  -2.129
  439    HA2  GLY 183           HA2      GLY 183 -11.116  -6.966  -3.529
  440    HA3  GLY 183           HA1      GLY 183 -12.018  -8.398  -3.055
  441    H    CYS 184           H        CYS 184 -14.379  -7.786  -4.556
  442    HA   CYS 184           HA       CYS 184 -13.705  -8.981  -7.003
  443    HB2  CYS 184           HB2      CYS 184 -15.952  -9.058  -5.879
  444    HB3  CYS 184           HB1      CYS 184 -16.217  -7.402  -6.414
  445    HG   CYS 184           HG       CYS 184 -15.557  -9.923  -8.613
  446    H    HIS 185           H        HIS 185 -14.304  -5.603  -6.128
  447    HA   HIS 185           HA       HIS 185 -13.876  -4.735  -8.866
  448    HB2  HIS 185           HB2      HIS 185 -15.491  -3.616  -7.274
  449    HB3  HIS 185           HB1      HIS 185 -14.093  -2.994  -6.404
  450    HD1  HIS 185           HD1      HIS 185 -12.648  -1.179  -7.622
  451    HD2  HIS 185           HD2      HIS 185 -16.122  -2.287  -9.623
  452    HE1  HIS 185           HE1      HIS 185 -13.004   0.572  -9.396
  453    HE2  HIS 185           HE2      HIS 185 -15.146  -0.081 -10.553
  454    H    PHE 186           H        PHE 186 -12.056  -4.978  -5.902
  455    HA   PHE 186           HA       PHE 186 -10.043  -3.114  -6.434
  456    HB2  PHE 186           HB2      PHE 186 -10.527  -4.060  -4.213
  457    HB3  PHE 186           HB1      PHE 186  -9.908  -5.618  -4.749
  458    HD1  PHE 186           HD1      PHE 186  -8.873  -2.056  -4.493
  459    HD2  PHE 186           HD2      PHE 186  -7.720  -6.145  -4.314
  460    HE1  PHE 186           HE1      PHE 186  -6.620  -1.383  -3.805
  461    HE2  PHE 186           HE2      PHE 186  -5.458  -5.479  -3.626
  462    HZ   PHE 186           HZ       PHE 186  -4.899  -3.095  -3.368
  463    H    LYS 187           H        LYS 187 -10.275  -6.564  -7.203
  464    HA   LYS 187           HA       LYS 187  -7.553  -6.742  -8.083
  465    HB2  LYS 187           HB2      LYS 187  -9.859  -8.614  -8.632
  466    HB3  LYS 187           HB1      LYS 187  -8.161  -8.970  -8.901
  467    HG2  LYS 187           HG2      LYS 187  -7.778  -8.690  -6.462
  468    HG3  LYS 187           HG1      LYS 187  -9.522  -8.508  -6.257
  469    HD2  LYS 187           HD2      LYS 187  -8.088 -10.921  -7.372
  470    HD3  LYS 187           HD1      LYS 187  -8.843 -10.796  -5.784
  471    HE2  LYS 187           HE2      LYS 187 -10.275 -10.613  -8.435
  472    HE3  LYS 187           HE1      LYS 187 -10.244 -12.024  -7.380
  473    HZ1  LYS 187           HZ1      LYS 187 -12.273 -10.682  -7.155
  474    HZ2  LYS 187           HZ2      LYS 187 -11.340  -9.378  -6.609
  475    HZ3  LYS 187           HZ3      LYS 187 -11.413 -10.805  -5.699
  476    H    SER 188           H        SER 188 -10.186  -5.266  -9.473
  477    HA   SER 188           HA       SER 188  -9.247  -5.845 -12.200
  478    HB2  SER 188           HB2      SER 188 -11.962  -4.895 -11.259
  479    HB3  SER 188           HB1      SER 188 -11.505  -5.132 -12.947
  480    HG   SER 188           HG       SER 188 -10.956  -7.364 -12.211
  481    H    ILE 189           H        ILE 189  -8.257  -3.771 -10.210
  482    HA   ILE 189           HA       ILE 189  -8.977  -1.270 -11.471
  483    HB   ILE 189           HB       ILE 189  -6.949  -1.920  -9.332
  484   HG12  ILE 189          2HG1      ILE 189  -9.614  -0.495  -9.197
  485   HG13  ILE 189          1HG1      ILE 189  -9.308  -2.143  -8.660
  486   HG21  ILE 189          1HG2      ILE 189  -6.793   0.530  -8.997
  487   HG22  ILE 189          2HG2      ILE 189  -7.734   0.759 -10.471
  488   HG23  ILE 189          3HG2      ILE 189  -6.147  -0.009 -10.546
  489   HD11  ILE 189          3HD1      ILE 189  -8.058   0.339  -7.508
  490   HD12  ILE 189          1HD1      ILE 189  -7.780  -1.314  -6.959
  491   HD13  ILE 189          2HD1      ILE 189  -9.379  -0.586  -6.795
  492    HA   PRO 190           HA       PRO 190  -5.636  -1.722 -14.480
  493    HB2  PRO 190           HB2      PRO 190  -6.713   0.727 -15.627
  494    HB3  PRO 190           HB1      PRO 190  -6.668  -0.893 -16.326
  495    HG2  PRO 190           HG2      PRO 190  -8.973   0.317 -15.550
  496    HG3  PRO 190           HG1      PRO 190  -8.745  -1.440 -15.519
  497    HD2  PRO 190           HD2      PRO 190  -8.578   0.533 -13.269
  498    HD3  PRO 190           HD1      PRO 190  -9.323  -1.081 -13.300
  499    H    VAL 191           H        VAL 191  -3.767  -1.138 -13.486
  500    HA   VAL 191           HA       VAL 191  -3.579   1.620 -12.474
  501    HB   VAL 191           HB       VAL 191  -3.418  -0.295 -10.846
  502   HG11  VAL 191          1HG1      VAL 191  -0.754  -0.745 -12.177
  503   HG12  VAL 191          2HG1      VAL 191  -2.131  -1.846 -12.195
  504   HG13  VAL 191          3HG1      VAL 191  -1.302  -1.500 -10.677
  505   HG21  VAL 191          3HG2      VAL 191  -2.613   1.933 -10.308
  506   HG22  VAL 191          1HG2      VAL 191  -1.041   1.543 -11.005
  507   HG23  VAL 191          2HG2      VAL 191  -1.604   0.691  -9.565
  508    H    ASN 192           H        ASN 192  -1.836   2.903 -12.972
  509    HA   ASN 192           HA       ASN 192   0.002   1.878 -15.036
  510    HB2  ASN 192           HB2      ASN 192  -1.322   3.734 -15.875
  511    HB3  ASN 192           HB1      ASN 192  -0.899   4.713 -14.473
  512   HD21  ASN 192          1HD2      ASN 192   0.183   3.440 -17.516
  513   HD22  ASN 192          2HD2      ASN 192   1.637   4.382 -17.625
  514    H    GLU 193           H        GLU 193   1.925   1.415 -14.284
  515    HA   GLU 193           HA       GLU 193   2.832   1.699 -11.737
  516    HB2  GLU 193           HB2      GLU 193   3.849   0.191 -13.304
  517    HB3  GLU 193           HB1      GLU 193   4.418   1.527 -14.295
  518    HG2  GLU 193           HG2      GLU 193   5.908   2.225 -12.490
  519    HG3  GLU 193           HG1      GLU 193   5.340   0.879 -11.502
  520    H    LYS 194           H        LYS 194   3.931   3.800 -14.421
  521    HA   LYS 194           HA       LYS 194   5.642   5.345 -12.831
  522    HB2  LYS 194           HB2      LYS 194   5.851   5.261 -15.238
  523    HB3  LYS 194           HB1      LYS 194   4.296   6.062 -15.427
  524    HG2  LYS 194           HG2      LYS 194   5.149   8.080 -14.454
  525    HG3  LYS 194           HG1      LYS 194   6.674   7.290 -14.053
  526    HD2  LYS 194           HD2      LYS 194   7.160   6.982 -16.400
  527    HD3  LYS 194           HD1      LYS 194   5.607   7.700 -16.837
  528    HE2  LYS 194           HE2      LYS 194   6.297   9.814 -15.805
  529    HE3  LYS 194           HE1      LYS 194   7.848   9.093 -15.372
  530    HZ1  LYS 194           HZ1      LYS 194   8.410   8.873 -17.660
  531    HZ2  LYS 194           HZ2      LYS 194   7.893  10.471 -17.416
  532    HZ3  LYS 194           HZ3      LYS 194   6.859   9.345 -18.158
  533    H    ASP 195           H        ASP 195   2.362   6.149 -13.994
  534    HA   ASP 195           HA       ASP 195   2.296   8.688 -12.764
  535    HB2  ASP 195           HB2      ASP 195   0.783   8.042 -14.607
  536    HB3  ASP 195           HB1      ASP 195  -0.042   6.923 -13.528
  537    H    THR 196           H        THR 196   1.273   5.506 -11.689
  538    HA   THR 196           HA       THR 196  -0.110   6.335  -9.381
  539    HB   THR 196           HB       THR 196   1.270   3.698  -9.907
  540    HG1  THR 196           HG1      THR 196  -0.267   4.055 -11.477
  541   HG21  THR 196          3HG2      THR 196  -0.940   4.408  -7.975
  542   HG22  THR 196          1HG2      THR 196   0.723   4.013  -7.541
  543   HG23  THR 196          2HG2      THR 196  -0.311   2.787  -8.275
  544    H    LEU 197           H        LEU 197   3.263   5.291  -9.880
  545    HA   LEU 197           HA       LEU 197   4.080   5.517  -7.203
  546    HB2  LEU 197           HB2      LEU 197   5.682   5.988  -9.720
  547    HB3  LEU 197           HB1      LEU 197   6.365   5.802  -8.117
  548    HG   LEU 197           HG       LEU 197   4.916   3.700  -9.724
  549   HD11  LEU 197          1HD1      LEU 197   7.069   2.536  -9.583
  550   HD12  LEU 197          2HD1      LEU 197   7.756   3.927  -8.745
  551   HD13  LEU 197          3HD1      LEU 197   7.208   4.084 -10.415
  552   HD21  LEU 197          3HD2      LEU 197   5.391   2.188  -7.852
  553   HD22  LEU 197          1HD2      LEU 197   4.293   3.487  -7.387
  554   HD23  LEU 197          2HD2      LEU 197   5.989   3.554  -6.912
  555    H    THR 198           H        THR 198   4.051   7.860  -9.844
  556    HA   THR 198           HA       THR 198   5.245  10.014  -8.548
  557    HB   THR 198           HB       THR 198   3.007  10.166 -10.579
  558    HG1  THR 198           HG1      THR 198   4.596   8.884 -11.476
  559   HG21  THR 198          3HG2      THR 198   4.068  12.280 -11.230
  560   HG22  THR 198          1HG2      THR 198   5.261  12.077  -9.946
  561   HG23  THR 198          2HG2      THR 198   3.562  12.314  -9.540
  562    H    CYS 199           H        CYS 199   1.818   9.090  -8.723
  563    HA   CYS 199           HA       CYS 199   0.777  11.239  -7.255
  564    HB2  CYS 199           HB2      CYS 199  -0.267   8.408  -7.490
  565    HB3  CYS 199           HB1      CYS 199  -1.192   9.796  -6.914
  566    HG   CYS 199           HG       CYS 199  -0.063   9.233 -10.092
  567    H    PHE 200           H        PHE 200   1.701   7.977  -6.185
  568    HA   PHE 200           HA       PHE 200   0.951   8.304  -3.501
  569    HB2  PHE 200           HB2      PHE 200   1.361   6.111  -4.483
  570    HB3  PHE 200           HB1      PHE 200   3.065   6.506  -4.702
  571    HD1  PHE 200           HD1      PHE 200   0.460   6.145  -2.070
  572    HD2  PHE 200           HD2      PHE 200   4.597   5.964  -3.053
  573    HE1  PHE 200           HE1      PHE 200   0.948   5.229   0.161
  574    HE2  PHE 200           HE2      PHE 200   5.091   5.050  -0.823
  575    HZ   PHE 200           HZ       PHE 200   3.264   4.680   0.785
  576    H    ILE 201           H        ILE 201   4.118   8.686  -5.068
  577    HA   ILE 201           HA       ILE 201   5.590   9.251  -2.771
  578    HB   ILE 201           HB       ILE 201   6.030  10.122  -5.626
  579   HG12  ILE 201          2HG1      ILE 201   7.344   7.987  -3.932
  580   HG13  ILE 201          1HG1      ILE 201   6.084   7.692  -5.124
  581   HG21  ILE 201          1HG2      ILE 201   7.172  11.690  -4.134
  582   HG22  ILE 201          2HG2      ILE 201   8.329  10.673  -4.991
  583   HG23  ILE 201          3HG2      ILE 201   7.946  10.343  -3.300
  584   HD11  ILE 201          3HD1      ILE 201   8.285   7.147  -5.992
  585   HD12  ILE 201          1HD1      ILE 201   8.818   8.802  -5.701
  586   HD13  ILE 201          2HD1      ILE 201   7.556   8.480  -6.889
  587    H    TYR 202           H        TYR 202   4.033  11.517  -5.041
  588    HA   TYR 202           HA       TYR 202   4.816  13.859  -3.686
  589    HB2  TYR 202           HB2      TYR 202   2.685  13.234  -5.697
  590    HB3  TYR 202           HB1      TYR 202   2.720  14.815  -4.923
  591    HD1  TYR 202           HD1      TYR 202   5.264  12.505  -6.427
  592    HD2  TYR 202           HD2      TYR 202   3.685  16.449  -6.211
  593    HE1  TYR 202           HE1      TYR 202   6.951  13.263  -8.044
  594    HE2  TYR 202           HE2      TYR 202   5.367  17.217  -7.830
  595    HH   TYR 202           HH       TYR 202   7.478  16.607  -8.724
  596    H    SER 203           H        SER 203   2.075  11.704  -3.238
  597    HA   SER 203           HA       SER 203   0.627  13.427  -1.503
  598    HB2  SER 203           HB2      SER 203   0.536  10.402  -1.693
  599    HB3  SER 203           HB1      SER 203  -0.664  11.428  -0.906
  600    HG   SER 203           HG       SER 203  -0.081  11.153  -3.653
  601    H    VAL 204           H        VAL 204   2.787  10.647  -0.847
  602    HA   VAL 204           HA       VAL 204   2.545  10.891   1.971
  603    HB   VAL 204           HB       VAL 204   4.849   9.594   0.511
  604   HG11  VAL 204          1HG1      VAL 204   4.937   8.143   2.479
  605   HG12  VAL 204          2HG1      VAL 204   3.595   9.030   3.201
  606   HG13  VAL 204          3HG1      VAL 204   5.142   9.836   2.931
  607   HG21  VAL 204          3HG2      VAL 204   3.526   7.532   0.552
  608   HG22  VAL 204          1HG2      VAL 204   2.748   8.785  -0.416
  609   HG23  VAL 204          2HG2      VAL 204   2.156   8.430   1.207
  610    H    ARG 205           H        ARG 205   4.593  12.458  -0.371
  611    HA   ARG 205           HA       ARG 205   6.334  13.552   1.679
  612    HB2  ARG 205           HB2      ARG 205   6.196  13.953  -1.307
  613    HB3  ARG 205           HB1      ARG 205   7.293  14.861  -0.273
  614    HG2  ARG 205           HG2      ARG 205   8.344  12.784   0.453
  615    HG3  ARG 205           HG1      ARG 205   7.234  11.863  -0.562
  616    HD2  ARG 205           HD2      ARG 205   9.414  12.134  -1.633
  617    HD3  ARG 205           HD1      ARG 205   8.141  12.935  -2.552
  618    HE   ARG 205           HE       ARG 205   8.960  15.037  -1.389
  619   HH11  ARG 205          1HH1      ARG 205  11.080  12.312  -2.080
  620   HH12  ARG 205          2HH1      ARG 205  12.502  13.307  -2.181
  621   HH21  ARG 205          1HH2      ARG 205  10.821  16.322  -1.519
  622   HH22  ARG 205          2HH2      ARG 205  12.363  15.585  -1.844
  623    H    ASN 206           H        ASN 206   3.254  14.232   0.819
  624    HA   ASN 206           HA       ASN 206   3.544  16.992   1.760
  625    HB2  ASN 206           HB2      ASN 206   2.599  16.221  -0.880
  626    HB3  ASN 206           HB1      ASN 206   1.390  17.143   0.005
  627   HD21  ASN 206          1HD2      ASN 206   4.844  17.535   0.443
  628   HD22  ASN 206          2HD2      ASN 206   4.933  19.126  -0.241
  629    H    ASP 207           H        ASP 207   0.675  15.306   0.550
  630    HA   ASP 207           HA       ASP 207  -0.422  15.357   3.281
  631    HB2  ASP 207           HB2      ASP 207  -1.874  15.816   0.662
  632    HB3  ASP 207           HB1      ASP 207  -2.666  15.634   2.223
  633    H    LYS 208           H        LYS 208  -0.434  13.334   3.988
  634    HA   LYS 208           HA       LYS 208  -0.227  11.041   2.431
  635    HB2  LYS 208           HB2      LYS 208  -1.122  11.506   5.261
  636    HB3  LYS 208           HB1      LYS 208  -1.159   9.894   4.568
  637    HG2  LYS 208           HG2      LYS 208   0.862  10.271   5.883
  638    HG3  LYS 208           HG1      LYS 208   1.243   9.979   4.188
  639    HD2  LYS 208           HD2      LYS 208   1.547  12.374   3.832
  640    HD3  LYS 208           HD1      LYS 208   1.113  12.689   5.511
  641    HE2  LYS 208           HE2      LYS 208   3.418  10.916   4.754
  642    HE3  LYS 208           HE1      LYS 208   3.595  12.660   4.930
  643    HZ1  LYS 208           HZ1      LYS 208   4.156  11.300   6.936
  644    HZ2  LYS 208           HZ2      LYS 208   2.507  10.936   7.083
  645    HZ3  LYS 208           HZ3      LYS 208   3.033  12.540   7.198
  646    H    ASN 209           H        ASN 209  -3.130  12.221   4.122
  647    HA   ASN 209           HA       ASN 209  -4.810  11.588   1.894
  648    HB2  ASN 209           HB2      ASN 209  -6.282   9.988   3.100
  649    HB3  ASN 209           HB1      ASN 209  -4.679   9.335   2.794
  650   HD21  ASN 209          1HD2      ASN 209  -3.377   8.813   4.479
  651   HD22  ASN 209          2HD2      ASN 209  -3.886   8.848   6.136
  652    H    LYS 210           H        LYS 210  -4.102  13.843   3.516
  653    HA   LYS 210           HA       LYS 210  -6.743  14.575   4.540
  654    HB2  LYS 210           HB2      LYS 210  -5.591  15.750   6.462
  655    HB3  LYS 210           HB1      LYS 210  -5.602  13.996   6.544
  656    HG2  LYS 210           HG2      LYS 210  -3.453  14.628   7.217
  657    HG3  LYS 210           HG1      LYS 210  -3.263  14.084   5.550
  658    HD2  LYS 210           HD2      LYS 210  -3.307  16.423   4.796
  659    HD3  LYS 210           HD1      LYS 210  -3.472  16.953   6.470
  660    HE2  LYS 210           HE2      LYS 210  -1.308  15.910   6.990
  661    HE3  LYS 210           HE1      LYS 210  -1.146  15.429   5.302
  662    HZ1  LYS 210           HZ1      LYS 210  -1.371  18.231   6.264
  663    HZ2  LYS 210           HZ2      LYS 210  -1.125  17.735   4.656
  664    HZ3  LYS 210           HZ3      LYS 210   0.081  17.463   5.824
  665    H    SER 211           H        SER 211  -6.511  17.106   5.191
  666    HA   SER 211           HA       SER 211  -4.795  18.519   3.334
  667    HB2  SER 211           HB2      SER 211  -6.867  19.804   2.463
  668    HB3  SER 211           HB1      SER 211  -6.533  18.209   1.792
  669    HG   SER 211           HG       SER 211  -8.201  17.368   2.865
  670    H    ASP 212           H        ASP 212  -3.853  19.680   4.927
  671    HA   ASP 212           HA       ASP 212  -5.614  21.544   6.365
  672    HB2  ASP 212           HB2      ASP 212  -4.282  21.383   8.360
  673    HB3  ASP 212           HB1      ASP 212  -4.767  19.759   7.890
  674    H    LEU 213           H        LEU 213  -3.332  21.322   4.058
  675    HA   LEU 213           HA       LEU 213  -1.785  23.656   4.852
  676    HB2  LEU 213           HB2      LEU 213  -1.658  21.758   2.531
  677    HB3  LEU 213           HB1      LEU 213  -0.830  23.299   2.457
  678    HG   LEU 213           HG       LEU 213   0.741  21.605   3.096
  679   HD11  LEU 213          1HD1      LEU 213  -0.011  23.293   5.469
  680   HD12  LEU 213          2HD1      LEU 213   1.033  23.769   4.131
  681   HD13  LEU 213          3HD1      LEU 213   1.539  22.485   5.228
  682   HD21  LEU 213          3HD2      LEU 213   0.496  20.264   5.119
  683   HD22  LEU 213          1HD2      LEU 213  -0.810  19.945   3.980
  684   HD23  LEU 213          2HD2      LEU 213  -1.102  20.958   5.394
  685    H    LYS 214           H        LYS 214  -3.095  25.392   4.814
  686    HA   LYS 214           HA       LYS 214  -4.516  25.981   2.307
  687    HB2  LYS 214           HB2      LYS 214  -5.979  25.842   4.279
  688    HB3  LYS 214           HB1      LYS 214  -5.005  27.051   5.097
  689    HG2  LYS 214           HG2      LYS 214  -6.990  28.104   4.307
  690    HG3  LYS 214           HG1      LYS 214  -5.642  28.681   3.330
  691    HD2  LYS 214           HD2      LYS 214  -7.209  26.338   2.361
  692    HD3  LYS 214           HD1      LYS 214  -7.928  27.944   2.233
  693    HE2  LYS 214           HE2      LYS 214  -5.962  28.711   0.982
  694    HE3  LYS 214           HE1      LYS 214  -5.258  27.099   1.106
  695    HZ1  LYS 214           HZ1      LYS 214  -7.828  27.740  -0.248
  696    HZ2  LYS 214           HZ2      LYS 214  -7.081  26.219  -0.185
  697    HZ3  LYS 214           HZ3      LYS 214  -6.349  27.489  -1.039
  698    H    ALA 215           H        ALA 215  -3.090  27.078   1.101
  699    HA   ALA 215           HA       ALA 215  -1.393  29.121   2.294
  700    HB1  ALA 215           HB1      ALA 215  -0.403  29.305   0.071
  701    HB2  ALA 215           HB2      ALA 215  -1.629  28.214  -0.575
  702    HB3  ALA 215           HB3      ALA 215  -0.452  27.623   0.599
  703    H    ASP 216           H        ASP 216  -1.281  31.278   1.253
  704    HA   ASP 216           HA       ASP 216  -3.965  32.351   0.935
  705    HB2  ASP 216           HB2      ASP 216  -2.934  34.526   1.188
  706    HB3  ASP 216           HB1      ASP 216  -2.290  33.455   2.428
  707    H    SER 217           H        SER 217  -3.787  34.420  -0.707
  708    HA   SER 217           HA       SER 217  -2.468  33.625  -3.175
  709    HB2  SER 217           HB2      SER 217  -5.468  34.033  -3.018
  710    HB3  SER 217           HB1      SER 217  -4.543  33.802  -4.502
  711    HG   SER 217           HG       SER 217  -3.905  31.836  -2.841
  712    H    GLY 218           H        GLY 218  -1.301  35.404  -3.495
  713    HA2  GLY 218           HA2      GLY 218  -2.511  38.027  -2.946
  714    HA3  GLY 218           HA1      GLY 218  -0.793  37.708  -3.144
  715    H    VAL 219           H        VAL 219  -2.156  39.784  -4.468
  716    HA   VAL 219           HA       VAL 219  -2.677  38.901  -7.172
  717    HB   VAL 219           HB       VAL 219  -3.993  40.749  -6.225
  718   HG11  VAL 219          1HG1      VAL 219  -2.964  42.974  -5.941
  719   HG12  VAL 219          2HG1      VAL 219  -1.376  42.244  -6.181
  720   HG13  VAL 219          3HG1      VAL 219  -2.357  41.785  -4.790
  721   HG21  VAL 219          3HG2      VAL 219  -3.742  40.622  -8.632
  722   HG22  VAL 219          1HG2      VAL 219  -2.255  41.567  -8.547
  723   HG23  VAL 219          2HG2      VAL 219  -3.796  42.307  -8.111
  724    H    HIS 220           H        HIS 220  -0.082  40.303  -5.330
  725    HA   HIS 220           HA       HIS 220   1.744  39.902  -7.545
  726    HB2  HIS 220           HB2      HIS 220   0.835  42.271  -7.741
  727    HB3  HIS 220           HB1      HIS 220   1.623  42.611  -6.207
  728    HD1  HIS 220           HD1      HIS 220   4.078  43.176  -6.271
  729    HD2  HIS 220           HD2      HIS 220   2.664  41.682  -9.887
  730    HE1  HIS 220           HE1      HIS 220   5.934  43.536  -7.928
  731    HE2  HIS 220           HE2      HIS 220   4.953  42.859 -10.148
  732    H1   SER 454           HT1      SER 454  25.307   5.014 -13.475
  733    H2   SER 454           HT2      SER 454  25.914   6.506 -13.988
  734    H3   SER 454           HT3      SER 454  24.316   6.386 -13.432
  735    HA   SER 454           HA       SER 454  25.106   5.809 -11.229
  736    HB2  SER 454           HB2      SER 454  27.256   4.801 -12.049
  737    HB3  SER 454           HB1      SER 454  27.853   6.431 -12.346
  738    HG   SER 454           HG       SER 454  28.082   5.112 -10.139
  739    H    ASN 455           H        ASN 455  26.835   8.209 -13.232
  740    HA   ASN 455           HA       ASN 455  26.235  10.295 -11.296
  741    HB2  ASN 455           HB2      ASN 455  28.461  10.254 -12.318
  742    HB3  ASN 455           HB1      ASN 455  27.741  10.396 -13.921
  743   HD21  ASN 455          1HD2      ASN 455  28.747  12.298 -14.438
  744   HD22  ASN 455          2HD2      ASN 455  28.371  13.804 -13.662
  745    H    ALA 456           H        ALA 456  24.344  11.277 -11.363
  746    HA   ALA 456           HA       ALA 456  23.154  11.816 -14.008
  747    HB1  ALA 456           HB1      ALA 456  20.953  11.661 -13.005
  748    HB2  ALA 456           HB2      ALA 456  21.670  11.361 -11.421
  749    HB3  ALA 456           HB3      ALA 456  21.852  10.173 -12.714
  750    H    SER 457           H        SER 457  23.853  12.961 -10.787
  751    HA   SER 457           HA       SER 457  23.990  15.017  -9.856
  752    HB2  SER 457           HB2      SER 457  24.260  15.924 -12.731
  753    HB3  SER 457           HB1      SER 457  24.690  16.875 -11.310
  754    HG   SER 457           HG       SER 457  25.818  14.318 -11.657
  755    H    LYS 458           H        LYS 458  21.479  14.185  -9.838
  756    HA   LYS 458           HA       LYS 458  19.949  16.606 -10.528
  757    HB2  LYS 458           HB2      LYS 458  19.033  13.729 -10.705
  758    HB3  LYS 458           HB1      LYS 458  17.971  15.120 -10.878
  759    HG2  LYS 458           HG2      LYS 458  20.333  14.537 -12.655
  760    HG3  LYS 458           HG1      LYS 458  18.656  14.135 -13.034
  761    HD2  LYS 458           HD2      LYS 458  18.032  16.417 -13.123
  762    HD3  LYS 458           HD1      LYS 458  19.553  16.935 -12.391
  763    HE2  LYS 458           HE2      LYS 458  19.369  15.548 -15.057
  764    HE3  LYS 458           HE1      LYS 458  19.369  17.301 -14.871
  765    HZ1  LYS 458           HZ1      LYS 458  21.536  17.165 -13.821
  766    HZ2  LYS 458           HZ2      LYS 458  21.583  16.447 -15.357
  767    HZ3  LYS 458           HZ3      LYS 458  21.539  15.473 -13.970
  768    H    HIS 459           H        HIS 459  17.807  16.615  -9.217
  769    HA   HIS 459           HA       HIS 459  18.246  15.590  -6.506
  770    HB2  HIS 459           HB2      HIS 459  17.780  17.733  -5.477
  771    HB3  HIS 459           HB1      HIS 459  19.123  17.934  -6.595
  772    HD1  HIS 459           HD1      HIS 459  15.755  19.183  -5.811
  773    HD2  HIS 459           HD2      HIS 459  18.390  19.322  -9.032
  774    HE1  HIS 459           HE1      HIS 459  14.907  21.018  -7.307
  775    HE2  HIS 459           HE2      HIS 459  16.423  20.977  -9.323
  776    H    GLY 460           H        GLY 460  16.285  15.636  -5.179
  777    HA2  GLY 460           HA2      GLY 460  13.857  16.402  -5.311
  778    HA3  GLY 460           HA1      GLY 460  13.851  15.557  -6.853
  779    H    VAL 461           H        VAL 461  14.117  13.275  -6.863
  780    HA   VAL 461           HA       VAL 461  13.376  12.024  -4.306
  781    HB   VAL 461           HB       VAL 461  12.139  10.325  -5.588
  782   HG11  VAL 461          1HG1      VAL 461  10.239  11.728  -6.254
  783   HG12  VAL 461          2HG1      VAL 461  11.274  13.156  -6.173
  784   HG13  VAL 461          3HG1      VAL 461  10.924  12.235  -4.710
  785   HG21  VAL 461          3HG2      VAL 461  11.658  10.656  -7.959
  786   HG22  VAL 461          1HG2      VAL 461  13.389  10.457  -7.685
  787   HG23  VAL 461          2HG2      VAL 461  12.721  12.063  -7.987
  788    H    GLY 462           H        GLY 462  14.017   9.737  -4.100
  789    HA2  GLY 462           HA2      GLY 462  15.813   8.509  -5.914
  790    HA3  GLY 462           HA1      GLY 462  16.725   9.301  -4.637
  791    H    THR 463           H        THR 463  15.421   8.899  -2.409
  792    HA   THR 463           HA       THR 463  15.896   6.200  -1.775
  793    HB   THR 463           HB       THR 463  14.566   6.854   0.362
  794    HG1  THR 463           HG1      THR 463  13.986   8.932  -1.121
  795   HG21  THR 463          3HG2      THR 463  17.091   8.309  -0.425
  796   HG22  THR 463          1HG2      THR 463  17.005   6.667   0.212
  797   HG23  THR 463          2HG2      THR 463  16.526   8.033   1.223
  798    H    GLU 464           H        GLU 464  12.948   7.945  -2.559
  799    HA   GLU 464           HA       GLU 464  11.173   5.821  -1.937
  800    HB2  GLU 464           HB2      GLU 464   9.649   7.137  -3.600
  801    HB3  GLU 464           HB1      GLU 464  10.063   7.848  -2.050
  802    HG2  GLU 464           HG2      GLU 464  11.680   8.453  -4.494
  803    HG3  GLU 464           HG1      GLU 464  10.173   9.302  -4.168
  804    H    SER 465           H        SER 465  12.766   6.853  -4.933
  805    HA   SER 465           HA       SER 465  11.672   4.854  -6.591
  806    HB2  SER 465           HB2      SER 465  14.373   6.207  -6.831
  807    HB3  SER 465           HB1      SER 465  13.482   5.405  -8.125
  808    HG   SER 465           HG       SER 465  12.376   7.160  -8.402
  809    H    LEU 466           H        LEU 466  14.479   4.963  -4.481
  810    HA   LEU 466           HA       LEU 466  15.691   2.526  -5.030
  811    HB2  LEU 466           HB2      LEU 466  16.529   4.262  -3.451
  812    HB3  LEU 466           HB1      LEU 466  15.276   3.802  -2.318
  813    HG   LEU 466           HG       LEU 466  16.346   1.462  -2.375
  814   HD11  LEU 466          1HD1      LEU 466  17.736   1.796  -4.332
  815   HD12  LEU 466          2HD1      LEU 466  18.735   1.460  -2.916
  816   HD13  LEU 466          3HD1      LEU 466  18.588   3.111  -3.521
  817   HD21  LEU 466          3HD2      LEU 466  17.959   2.098  -0.658
  818   HD22  LEU 466          1HD2      LEU 466  16.443   2.980  -0.460
  819   HD23  LEU 466          2HD2      LEU 466  17.845   3.784  -1.166
  820    H    PHE 467           H        PHE 467  13.173   3.229  -2.620
  821    HA   PHE 467           HA       PHE 467  12.614   0.663  -1.770
  822    HB2  PHE 467           HB2      PHE 467  11.695   2.577  -0.656
  823    HB3  PHE 467           HB1      PHE 467  10.806   3.055  -2.095
  824    HD1  PHE 467           HD1      PHE 467  11.064   0.300   0.395
  825    HD2  PHE 467           HD2      PHE 467   8.597   2.418  -2.351
  826    HE1  PHE 467           HE1      PHE 467   9.100  -0.933   1.210
  827    HE2  PHE 467           HE2      PHE 467   6.630   1.181  -1.540
  828    HZ   PHE 467           HZ       PHE 467   6.882  -0.493   0.243
  829    H    PHE 468           H        PHE 468  11.050   2.415  -4.469
  830    HA   PHE 468           HA       PHE 468   9.205   0.352  -5.013
  831    HB2  PHE 468           HB2      PHE 468  10.150   2.653  -6.716
  832    HB3  PHE 468           HB1      PHE 468   8.862   1.552  -7.198
  833    HD1  PHE 468           HD2      PHE 468   7.264   1.141  -4.890
  834    HD2  PHE 468           HD1      PHE 468   9.270   4.686  -6.120
  835    HE1  PHE 468           HE2      PHE 468   5.642   2.491  -3.626
  836    HE2  PHE 468           HE1      PHE 468   7.655   6.038  -4.852
  837    HZ   PHE 468           HZ       PHE 468   5.839   4.944  -3.605
  838    H    ASP 469           H        ASP 469  12.429   0.998  -6.314
  839    HA   ASP 469           HA       ASP 469  12.335  -0.978  -8.341
  840    HB2  ASP 469           HB2      ASP 469  14.096   0.711  -8.320
  841    HB3  ASP 469           HB1      ASP 469  14.707   0.092  -6.790
  842    H    LYS 470           H        LYS 470  13.368  -1.060  -4.957
  843    HA   LYS 470           HA       LYS 470  14.091  -3.767  -4.862
  844    HB2  LYS 470           HB2      LYS 470  12.965  -1.978  -2.703
  845    HB3  LYS 470           HB1      LYS 470  13.620  -3.582  -2.409
  846    HG2  LYS 470           HG2      LYS 470  15.795  -2.807  -3.306
  847    HG3  LYS 470           HG1      LYS 470  15.111  -1.187  -3.458
  848    HD2  LYS 470           HD2      LYS 470  14.716  -1.101  -1.064
  849    HD3  LYS 470           HD1      LYS 470  15.312  -2.753  -0.888
  850    HE2  LYS 470           HE2      LYS 470  17.503  -2.004  -1.762
  851    HE3  LYS 470           HE1      LYS 470  16.888  -0.351  -1.800
  852    HZ1  LYS 470           HZ1      LYS 470  18.210  -0.893   0.204
  853    HZ2  LYS 470           HZ2      LYS 470  17.027  -2.022   0.657
  854    HZ3  LYS 470           HZ3      LYS 470  16.636  -0.373   0.565
  855    H    VAL 471           H        VAL 471  10.975  -2.165  -4.233
  856    HA   VAL 471           HA       VAL 471   9.477  -4.453  -3.624
  857    HB   VAL 471           HB       VAL 471   8.568  -1.922  -5.015
  858   HG11  VAL 471          1HG1      VAL 471   6.961  -3.716  -5.369
  859   HG12  VAL 471          2HG1      VAL 471   6.318  -2.517  -4.246
  860   HG13  VAL 471          3HG1      VAL 471   6.937  -4.052  -3.638
  861   HG21  VAL 471          3HG2      VAL 471   9.559  -1.523  -2.825
  862   HG22  VAL 471          1HG2      VAL 471   8.480  -2.721  -2.111
  863   HG23  VAL 471          2HG2      VAL 471   7.819  -1.235  -2.793
  864    H    ARG 472           H        ARG 472  10.265  -2.956  -6.717
  865    HA   ARG 472           HA       ARG 472   8.711  -4.448  -8.449
  866    HB2  ARG 472           HB2      ARG 472  11.060  -2.765  -8.602
  867    HB3  ARG 472           HB1      ARG 472  11.169  -4.098  -9.739
  868    HG2  ARG 472           HG2      ARG 472   8.852  -2.187  -9.544
  869    HG3  ARG 472           HG1      ARG 472  10.175  -2.062 -10.705
  870    HD2  ARG 472           HD2      ARG 472   9.576  -4.343 -11.520
  871    HD3  ARG 472           HD1      ARG 472   8.164  -4.293 -10.465
  872    HE   ARG 472           HE       ARG 472   7.913  -2.027 -11.936
  873   HH11  ARG 472          1HH1      ARG 472   8.397  -5.407 -12.767
  874   HH12  ARG 472          2HH1      ARG 472   7.595  -5.264 -14.306
  875   HH21  ARG 472          1HH2      ARG 472   6.848  -1.852 -13.925
  876   HH22  ARG 472          2HH2      ARG 472   6.682  -3.245 -14.957
  877    H    LYS 473           H        LYS 473  11.982  -5.185  -7.236
  878    HA   LYS 473           HA       LYS 473  11.988  -7.731  -8.617
  879    HB2  LYS 473           HB2      LYS 473  14.036  -6.298  -8.259
  880    HB3  LYS 473           HB1      LYS 473  13.977  -6.763  -6.564
  881    HG2  LYS 473           HG2      LYS 473  14.197  -9.119  -7.220
  882    HG3  LYS 473           HG1      LYS 473  14.311  -8.623  -8.909
  883    HD2  LYS 473           HD2      LYS 473  16.316  -7.276  -8.317
  884    HD3  LYS 473           HD1      LYS 473  16.230  -7.942  -6.684
  885    HE2  LYS 473           HE2      LYS 473  16.432 -10.212  -7.639
  886    HE3  LYS 473           HE1      LYS 473  16.619  -9.495  -9.240
  887    HZ1  LYS 473           HZ1      LYS 473  18.577  -8.270  -8.283
  888    HZ2  LYS 473           HZ2      LYS 473  18.773  -9.946  -8.452
  889    HZ3  LYS 473           HZ3      LYS 473  18.455  -9.281  -6.924
  890    H    ALA 474           H        ALA 474  11.450  -6.592  -5.338
  891    HA   ALA 474           HA       ALA 474  11.781  -9.073  -4.028
  892    HB1  ALA 474           HB1      ALA 474  11.886  -6.914  -2.874
  893    HB2  ALA 474           HB2      ALA 474  10.740  -8.020  -2.114
  894    HB3  ALA 474           HB3      ALA 474  10.155  -6.704  -3.133
  895    H    LEU 475           H        LEU 475   8.824  -7.385  -5.099
  896    HA   LEU 475           HA       LEU 475   7.081  -9.411  -4.144
  897    HB2  LEU 475           HB2      LEU 475   6.794  -7.013  -5.871
  898    HB3  LEU 475           HB1      LEU 475   5.555  -8.245  -6.013
  899    HG   LEU 475           HG       LEU 475   5.011  -8.036  -3.654
  900   HD11  LEU 475          1HD1      LEU 475   7.231  -6.002  -3.561
  901   HD12  LEU 475          2HD1      LEU 475   7.188  -7.559  -2.731
  902   HD13  LEU 475          3HD1      LEU 475   6.060  -6.283  -2.272
  903   HD21  LEU 475          3HD2      LEU 475   4.146  -5.736  -3.642
  904   HD22  LEU 475          1HD2      LEU 475   3.867  -6.540  -5.187
  905   HD23  LEU 475          2HD2      LEU 475   5.164  -5.356  -5.031
  906    H    ARG 476           H        ARG 476   8.711  -8.848  -7.187
  907    HA   ARG 476           HA       ARG 476   9.244 -10.221  -8.899
  908    HB2  ARG 476           HB2      ARG 476   8.348 -12.209  -6.869
  909    HB3  ARG 476           HB1      ARG 476   8.586 -12.751  -8.525
  910    HG2  ARG 476           HG2      ARG 476  10.855 -12.327  -8.481
  911    HG3  ARG 476           HG1      ARG 476  10.716 -11.173  -7.154
  912    HD2  ARG 476           HD2      ARG 476  10.106 -14.092  -6.801
  913    HD3  ARG 476           HD1      ARG 476  11.740 -13.448  -6.630
  914    HE   ARG 476           HE       ARG 476   9.838 -12.000  -5.062
  915   HH11  ARG 476          1HH1      ARG 476  11.835 -14.887  -5.130
  916   HH12  ARG 476          2HH1      ARG 476  11.895 -15.021  -3.395
  917   HH21  ARG 476          1HH2      ARG 476   9.961 -12.173  -2.788
  918   HH22  ARG 476          2HH2      ARG 476  10.848 -13.486  -2.074
  919    H    SER 477           H        SER 477   6.078 -11.305  -7.677
  920    HA   SER 477           HA       SER 477   5.066 -11.912 -10.258
  921    HB2  SER 477           HB2      SER 477   4.090 -12.995  -8.344
  922    HB3  SER 477           HB1      SER 477   3.703 -11.447  -7.595
  923    HG   SER 477           HG       SER 477   2.382 -12.852  -9.583
  924    H    ALA 478           H        ALA 478   4.146 -10.637 -11.739
  925    HA   ALA 478           HA       ALA 478   4.250  -7.815 -11.463
  926    HB1  ALA 478           HB1      ALA 478   2.858  -9.481 -13.556
  927    HB2  ALA 478           HB2      ALA 478   4.532  -8.931 -13.617
  928    HB3  ALA 478           HB3      ALA 478   3.215  -7.759 -13.674
  929    H    GLU 479           H        GLU 479   1.729 -10.209 -11.068
  930    HA   GLU 479           HA       GLU 479  -0.439  -8.378 -10.865
  931    HB2  GLU 479           HB2      GLU 479  -0.201 -11.150  -9.668
  932    HB3  GLU 479           HB1      GLU 479  -1.689 -10.242  -9.882
  933    HG2  GLU 479           HG2      GLU 479  -1.737 -11.720 -11.645
  934    HG3  GLU 479           HG1      GLU 479  -1.070 -10.269 -12.391
  935    H    ALA 480           H        ALA 480   1.826  -9.789  -8.586
  936    HA   ALA 480           HA       ALA 480   0.647  -8.775  -6.224
  937    HB1  ALA 480           HB1      ALA 480   3.545  -9.430  -6.746
  938    HB2  ALA 480           HB2      ALA 480   2.315 -10.581  -6.228
  939    HB3  ALA 480           HB3      ALA 480   2.782  -9.255  -5.164
  940    H    TYR 481           H        TYR 481   3.222  -7.548  -8.338
  941    HA   TYR 481           HA       TYR 481   3.682  -5.170  -6.886
  942    HB2  TYR 481           HB2      TYR 481   5.245  -6.112  -8.586
  943    HB3  TYR 481           HB1      TYR 481   4.107  -5.644  -9.845
  944    HD1  TYR 481           HD1      TYR 481   6.114  -4.209  -7.055
  945    HD2  TYR 481           HD2      TYR 481   4.269  -3.529 -10.828
  946    HE1  TYR 481           HE1      TYR 481   7.157  -1.984  -7.156
  947    HE2  TYR 481           HE2      TYR 481   5.308  -1.302 -10.940
  948    HH   TYR 481           HH       TYR 481   6.236   0.372  -9.456
  949    H    GLU 482           H        GLU 482   1.545  -5.967  -9.576
  950    HA   GLU 482           HA       GLU 482   0.439  -3.446 -10.042
  951    HB2  GLU 482           HB2      GLU 482   0.043  -5.376 -11.498
  952    HB3  GLU 482           HB1      GLU 482  -0.859  -6.169 -10.217
  953    HG2  GLU 482           HG2      GLU 482  -2.496  -4.305 -10.296
  954    HG3  GLU 482           HG1      GLU 482  -1.632  -3.672 -11.695
  955    H    ASN 483           H        ASN 483  -0.436  -5.969  -7.726
  956    HA   ASN 483           HA       ASN 483  -2.744  -4.780  -6.697
  957    HB2  ASN 483           HB2      ASN 483  -1.986  -7.150  -6.350
  958    HB3  ASN 483           HB1      ASN 483  -0.794  -6.541  -5.205
  959   HD21  ASN 483          1HD2      ASN 483  -1.465  -5.755  -3.228
  960   HD22  ASN 483          2HD2      ASN 483  -3.051  -6.044  -2.624
  961    H    PHE 484           H        PHE 484   0.641  -4.589  -5.657
  962    HA   PHE 484           HA       PHE 484   0.375  -2.863  -3.500
  963    HB2  PHE 484           HB2      PHE 484   2.487  -3.893  -3.949
  964    HB3  PHE 484           HB1      PHE 484   2.566  -3.178  -5.552
  965    HD1  PHE 484           HD1      PHE 484   2.559  -2.300  -1.945
  966    HD2  PHE 484           HD2      PHE 484   3.686  -1.181  -5.896
  967    HE1  PHE 484           HE1      PHE 484   3.863  -0.423  -1.034
  968    HE2  PHE 484           HE2      PHE 484   4.990   0.700  -4.991
  969    HZ   PHE 484           HZ       PHE 484   5.079   1.078  -2.561
  970    H    LEU 485           H        LEU 485   0.724  -2.123  -6.945
  971    HA   LEU 485           HA       LEU 485   0.725   0.685  -6.650
  972    HB2  LEU 485           HB2      LEU 485  -0.060  -1.006  -9.020
  973    HB3  LEU 485           HB1      LEU 485   0.246   0.720  -9.067
  974    HG   LEU 485           HG       LEU 485   2.284  -1.401  -8.381
  975   HD11  LEU 485          1HD1      LEU 485   1.699  -1.462 -10.723
  976   HD12  LEU 485          2HD1      LEU 485   3.297  -0.741 -10.522
  977   HD13  LEU 485          3HD1      LEU 485   1.899   0.286 -10.843
  978   HD21  LEU 485          3HD2      LEU 485   2.697   0.697  -7.210
  979   HD22  LEU 485          1HD2      LEU 485   2.577   1.578  -8.734
  980   HD23  LEU 485          2HD2      LEU 485   3.894   0.433  -8.478
  981    H    ARG 486           H        ARG 486  -1.862  -1.674  -7.032
  982    HA   ARG 486           HA       ARG 486  -3.938   0.209  -7.407
  983    HB2  ARG 486           HB2      ARG 486  -4.044  -2.572  -6.240
  984    HB3  ARG 486           HB1      ARG 486  -5.457  -1.613  -6.659
  985    HG2  ARG 486           HG2      ARG 486  -4.575  -1.527  -9.009
  986    HG3  ARG 486           HG1      ARG 486  -3.367  -2.717  -8.515
  987    HD2  ARG 486           HD2      ARG 486  -5.817  -3.693  -7.588
  988    HD3  ARG 486           HD1      ARG 486  -6.131  -3.088  -9.213
  989    HE   ARG 486           HE       ARG 486  -4.442  -4.601 -10.031
  990   HH11  ARG 486          1HH1      ARG 486  -5.521  -5.093  -6.742
  991   HH12  ARG 486          2HH1      ARG 486  -4.953  -6.729  -6.655
  992   HH21  ARG 486          1HH2      ARG 486  -3.722  -6.761  -9.960
  993   HH22  ARG 486          2HH2      ARG 486  -3.930  -7.686  -8.499
  994    H    CYS 487           H        CYS 487  -2.464  -1.218  -4.518
  995    HA   CYS 487           HA       CYS 487  -4.112   0.030  -2.623
  996    HB2  CYS 487           HB2      CYS 487  -1.150  -0.543  -2.385
  997    HB3  CYS 487           HB1      CYS 487  -2.275  -0.296  -1.053
  998    HG   CYS 487           HG       CYS 487  -2.450  -2.915  -3.257
  999    H    LEU 488           H        LEU 488  -1.341   1.186  -4.464
 1000    HA   LEU 488           HA       LEU 488  -0.953   3.591  -3.057
 1001    HB2  LEU 488           HB2      LEU 488  -0.334   2.939  -5.931
 1002    HB3  LEU 488           HB1      LEU 488   0.255   4.338  -5.070
 1003    HG   LEU 488           HG       LEU 488   0.985   1.461  -4.599
 1004   HD11  LEU 488          1HD1      LEU 488   3.240   2.261  -5.061
 1005   HD12  LEU 488          2HD1      LEU 488   2.619   3.893  -5.310
 1006   HD13  LEU 488          3HD1      LEU 488   2.160   2.592  -6.415
 1007   HD21  LEU 488          3HD2      LEU 488   1.682   3.876  -2.940
 1008   HD22  LEU 488          1HD2      LEU 488   2.390   2.269  -2.758
 1009   HD23  LEU 488          2HD2      LEU 488   0.673   2.518  -2.440
 1010    H    VAL 489           H        VAL 489  -2.846   2.876  -6.003
 1011    HA   VAL 489           HA       VAL 489  -3.609   5.554  -6.441
 1012    HB   VAL 489           HB       VAL 489  -5.451   4.653  -7.858
 1013   HG11  VAL 489          1HG1      VAL 489  -3.983   3.715  -9.568
 1014   HG12  VAL 489          2HG1      VAL 489  -2.714   3.506  -8.362
 1015   HG13  VAL 489          3HG1      VAL 489  -3.263   5.126  -8.794
 1016   HG21  VAL 489          3HG2      VAL 489  -5.998   2.609  -6.765
 1017   HG22  VAL 489          1HG2      VAL 489  -4.351   2.005  -6.954
 1018   HG23  VAL 489          2HG2      VAL 489  -5.385   2.210  -8.371
 1019    H    ILE 490           H        ILE 490  -5.217   2.938  -4.624
 1020    HA   ILE 490           HA       ILE 490  -7.509   4.537  -4.070
 1021    HB   ILE 490           HB       ILE 490  -8.100   2.908  -2.339
 1022   HG12  ILE 490          2HG1      ILE 490  -5.469   1.585  -3.038
 1023   HG13  ILE 490          1HG1      ILE 490  -5.860   2.361  -1.504
 1024   HG21  ILE 490          1HG2      ILE 490  -7.185   1.667  -4.925
 1025   HG22  ILE 490          2HG2      ILE 490  -8.710   2.511  -4.652
 1026   HG23  ILE 490          3HG2      ILE 490  -8.381   0.994  -3.817
 1027   HD11  ILE 490          3HD1      ILE 490  -6.044  -0.029  -1.289
 1028   HD12  ILE 490          1HD1      ILE 490  -7.166  -0.095  -2.650
 1029   HD13  ILE 490          2HD1      ILE 490  -7.644   0.707  -1.152
 1030    H    PHE 491           H        PHE 491  -4.444   4.038  -2.351
 1031    HA   PHE 491           HA       PHE 491  -5.048   5.571  -0.070
 1032    HB2  PHE 491           HB2      PHE 491  -3.016   4.216  -0.263
 1033    HB3  PHE 491           HB1      PHE 491  -2.427   5.255  -1.553
 1034    HD1  PHE 491           HD2      PHE 491  -3.252   5.160   2.053
 1035    HD2  PHE 491           HD1      PHE 491  -1.226   7.213  -1.077
 1036    HE1  PHE 491           HE2      PHE 491  -2.107   6.566   3.719
 1037    HE2  PHE 491           HE1      PHE 491  -0.075   8.617   0.582
 1038    HZ   PHE 491           HZ       PHE 491  -0.516   8.296   2.980
 1039    H    ASN 492           H        ASN 492  -3.727   6.475  -3.216
 1040    HA   ASN 492           HA       ASN 492  -3.329   9.211  -2.722
 1041    HB2  ASN 492           HB2      ASN 492  -2.252   8.234  -4.599
 1042    HB3  ASN 492           HB1      ASN 492  -3.770   7.630  -5.252
 1043   HD21  ASN 492          1HD2      ASN 492  -5.019   8.946  -6.496
 1044   HD22  ASN 492          2HD2      ASN 492  -4.538  10.531  -7.002
 1045    H    GLN 493           H        GLN 493  -6.173   7.435  -3.760
 1046    HA   GLN 493           HA       GLN 493  -7.648   9.877  -4.301
 1047    HB2  GLN 493           HB2      GLN 493  -8.448   6.969  -4.431
 1048    HB3  GLN 493           HB1      GLN 493  -9.530   8.303  -4.813
 1049    HG2  GLN 493           HG2      GLN 493  -7.989   9.007  -6.597
 1050    HG3  GLN 493           HG1      GLN 493  -6.968   7.616  -6.236
 1051   HE21  GLN 493          1HE2      GLN 493  -7.229   6.786  -8.305
 1052   HE22  GLN 493          2HE2      GLN 493  -8.715   6.045  -8.813
 1053    H    GLU 494           H        GLU 494  -6.704   8.763  -1.534
 1054    HA   GLU 494           HA       GLU 494  -7.374   9.021   0.618
 1055    HB2  GLU 494           HB2      GLU 494  -9.656  10.564  -0.630
 1056    HB3  GLU 494           HB1      GLU 494  -9.255  10.560   1.081
 1057    HG2  GLU 494           HG2      GLU 494  -7.203  11.675   0.695
 1058    HG3  GLU 494           HG1      GLU 494  -7.334  11.454  -1.049
 1059    H    VAL 495           H        VAL 495  -8.356   6.790  -1.090
 1060    HA   VAL 495           HA       VAL 495 -10.986   6.127  -0.150
 1061    HB   VAL 495           HB       VAL 495  -8.910   4.461  -1.589
 1062   HG11  VAL 495          1HG1      VAL 495 -10.358   2.999  -0.315
 1063   HG12  VAL 495          2HG1      VAL 495 -10.748   2.883  -2.030
 1064   HG13  VAL 495          3HG1      VAL 495 -11.786   3.815  -0.951
 1065   HG21  VAL 495          3HG2      VAL 495 -11.436   5.795  -2.565
 1066   HG22  VAL 495          1HG2      VAL 495 -10.377   4.766  -3.530
 1067   HG23  VAL 495          2HG2      VAL 495  -9.784   6.308  -2.912
 1068    H    ILE 496           H        ILE 496  -7.675   5.222   0.699
 1069    HA   ILE 496           HA       ILE 496  -8.748   4.119   3.197
 1070    HB   ILE 496           HB       ILE 496  -7.180   2.296   3.224
 1071   HG12  ILE 496          2HG1      ILE 496  -6.234   3.210   0.499
 1072   HG13  ILE 496          1HG1      ILE 496  -5.342   3.451   2.000
 1073   HG21  ILE 496          1HG2      ILE 496  -9.308   1.907   2.078
 1074   HG22  ILE 496          2HG2      ILE 496  -8.012   0.937   1.376
 1075   HG23  ILE 496          3HG2      ILE 496  -8.574   2.388   0.547
 1076   HD11  ILE 496          3HD1      ILE 496  -5.222   1.029   2.300
 1077   HD12  ILE 496          1HD1      ILE 496  -4.487   1.547   0.783
 1078   HD13  ILE 496          2HD1      ILE 496  -6.087   0.809   0.780
 1079    H    SER 497           H        SER 497  -7.142   4.090   4.958
 1080    HA   SER 497           HA       SER 497  -5.598   6.552   4.821
 1081    HB2  SER 497           HB2      SER 497  -5.513   6.100   7.381
 1082    HB3  SER 497           HB1      SER 497  -7.034   6.615   6.651
 1083    HG   SER 497           HG       SER 497  -7.604   4.887   7.828
 1084    H    ARG 498           H        ARG 498  -3.692   6.376   6.631
 1085    HA   ARG 498           HA       ARG 498  -1.575   5.181   5.275
 1086    HB2  ARG 498           HB2      ARG 498  -1.252   7.025   6.818
 1087    HB3  ARG 498           HB1      ARG 498  -1.777   6.031   8.168
 1088    HG2  ARG 498           HG2      ARG 498   0.194   4.577   7.837
 1089    HG3  ARG 498           HG1      ARG 498   0.724   5.647   6.533
 1090    HD2  ARG 498           HD2      ARG 498   1.882   6.187   8.603
 1091    HD3  ARG 498           HD1      ARG 498   0.838   7.518   8.106
 1092    HE   ARG 498           HE       ARG 498   0.107   5.597  10.229
 1093   HH11  ARG 498          1HH1      ARG 498   0.266   8.872   8.978
 1094   HH12  ARG 498          2HH1      ARG 498  -0.565   9.564  10.339
 1095   HH21  ARG 498          1HH2      ARG 498  -0.957   6.508  12.026
 1096   HH22  ARG 498          2HH2      ARG 498  -1.255   8.225  12.063
 1097    H    ALA 499           H        ALA 499  -3.093   4.114   8.321
 1098    HA   ALA 499           HA       ALA 499  -1.467   1.874   8.704
 1099    HB1  ALA 499           HB1      ALA 499  -2.850   2.802  10.476
 1100    HB2  ALA 499           HB2      ALA 499  -3.177   1.083  10.258
 1101    HB3  ALA 499           HB3      ALA 499  -4.307   2.282   9.628
 1102    H    GLU 500           H        GLU 500  -4.506   2.211   6.930
 1103    HA   GLU 500           HA       GLU 500  -4.990  -0.523   6.507
 1104    HB2  GLU 500           HB2      GLU 500  -5.716   1.712   4.612
 1105    HB3  GLU 500           HB1      GLU 500  -6.523   0.161   4.787
 1106    HG2  GLU 500           HG2      GLU 500  -6.461   2.384   6.817
 1107    HG3  GLU 500           HG1      GLU 500  -7.824   1.933   5.798
 1108    H    LEU 501           H        LEU 501  -3.201   1.866   4.594
 1109    HA   LEU 501           HA       LEU 501  -2.502   0.255   2.408
 1110    HB2  LEU 501           HB2      LEU 501  -2.039   2.836   3.120
 1111    HB3  LEU 501           HB1      LEU 501  -0.455   2.146   3.411
 1112    HG   LEU 501           HG       LEU 501  -0.555   3.135   1.195
 1113   HD11  LEU 501          1HD1      LEU 501   0.869   1.212   1.349
 1114   HD12  LEU 501          2HD1      LEU 501   0.024   1.175  -0.198
 1115   HD13  LEU 501          3HD1      LEU 501  -0.501   0.127   1.120
 1116   HD21  LEU 501          3HD2      LEU 501  -2.042   2.256  -0.504
 1117   HD22  LEU 501          1HD2      LEU 501  -2.942   2.946   0.847
 1118   HD23  LEU 501          2HD2      LEU 501  -2.785   1.195   0.693
 1119    H    VAL 502           H        VAL 502  -0.812   0.907   5.425
 1120    HA   VAL 502           HA       VAL 502   1.477  -0.629   4.957
 1121    HB   VAL 502           HB       VAL 502   0.188   0.090   7.599
 1122   HG11  VAL 502          1HG1      VAL 502   1.850  -1.653   7.892
 1123   HG12  VAL 502          2HG1      VAL 502   2.444  -0.120   8.533
 1124   HG13  VAL 502          3HG1      VAL 502   3.026  -0.708   6.975
 1125   HG21  VAL 502          3HG2      VAL 502   1.724   2.002   7.589
 1126   HG22  VAL 502          1HG2      VAL 502   0.609   2.054   6.224
 1127   HG23  VAL 502          2HG2      VAL 502   2.278   1.542   5.979
 1128    H    GLN 503           H        GLN 503  -1.676  -1.489   6.273
 1129    HA   GLN 503           HA       GLN 503  -0.813  -4.091   7.139
 1130    HB2  GLN 503           HB2      GLN 503  -3.583  -2.921   6.862
 1131    HB3  GLN 503           HB1      GLN 503  -3.225  -4.487   7.578
 1132    HG2  GLN 503           HG2      GLN 503  -1.828  -3.340   9.267
 1133    HG3  GLN 503           HG1      GLN 503  -2.342  -1.796   8.589
 1134   HE21  GLN 503          1HE2      GLN 503  -3.369  -1.094  10.399
 1135   HE22  GLN 503          2HE2      GLN 503  -4.826  -1.791  11.009
 1136    H    LEU 504           H        LEU 504  -2.457  -2.783   4.301
 1137    HA   LEU 504           HA       LEU 504  -3.242  -5.292   3.229
 1138    HB2  LEU 504           HB2      LEU 504  -2.800  -2.618   1.922
 1139    HB3  LEU 504           HB1      LEU 504  -3.386  -4.025   1.057
 1140    HG   LEU 504           HG       LEU 504  -4.761  -2.672   3.369
 1141   HD11  LEU 504          1HD1      LEU 504  -5.418  -2.784   0.433
 1142   HD12  LEU 504          2HD1      LEU 504  -4.851  -1.373   1.325
 1143   HD13  LEU 504          3HD1      LEU 504  -6.433  -2.065   1.686
 1144   HD21  LEU 504          3HD2      LEU 504  -6.617  -4.211   2.840
 1145   HD22  LEU 504          1HD2      LEU 504  -5.179  -5.057   3.414
 1146   HD23  LEU 504          2HD2      LEU 504  -5.568  -5.043   1.692
 1147    H    VAL 505           H        VAL 505  -0.372  -3.301   2.832
 1148    HA   VAL 505           HA       VAL 505   0.738  -5.156   0.898
 1149    HB   VAL 505           HB       VAL 505   1.071  -2.631   0.863
 1150   HG11  VAL 505          1HG1      VAL 505   2.952  -1.748   2.156
 1151   HG12  VAL 505          2HG1      VAL 505   3.076  -3.283   3.013
 1152   HG13  VAL 505          3HG1      VAL 505   1.630  -2.288   3.191
 1153   HG21  VAL 505          3HG2      VAL 505   3.471  -4.444   0.676
 1154   HG22  VAL 505          1HG2      VAL 505   3.374  -2.817   0.000
 1155   HG23  VAL 505          2HG2      VAL 505   2.309  -4.087  -0.604
 1156    H    SER 506           H        SER 506   0.362  -5.315   4.128
 1157    HA   SER 506           HA       SER 506   2.868  -6.041   5.146
 1158    HB2  SER 506           HB2      SER 506   0.941  -5.551   6.587
 1159    HB3  SER 506           HB1      SER 506   0.142  -7.019   6.028
 1160    HG   SER 506           HG       SER 506   1.260  -7.230   8.068
 1161    HA   PRO 507           HA       PRO 507   1.751 -10.675   3.928
 1162    HB2  PRO 507           HB2      PRO 507  -0.001 -10.155   1.595
 1163    HB3  PRO 507           HB1      PRO 507  -0.122 -11.405   2.838
 1164    HG2  PRO 507           HG2      PRO 507  -1.802  -9.341   2.818
 1165    HG3  PRO 507           HG1      PRO 507  -1.171  -9.990   4.344
 1166    HD2  PRO 507           HD2      PRO 507  -0.336  -7.537   2.840
 1167    HD3  PRO 507           HD1      PRO 507  -0.556  -7.766   4.587
 1168    H    PHE 508           H        PHE 508   2.517  -7.927   2.124
 1169    HA   PHE 508           HA       PHE 508   3.884  -9.485   0.044
 1170    HB2  PHE 508           HB2      PHE 508   3.211  -6.536   0.184
 1171    HB3  PHE 508           HB1      PHE 508   4.118  -7.286  -1.124
 1172    HD1  PHE 508           HD2      PHE 508   0.830  -7.325   0.602
 1173    HD2  PHE 508           HD1      PHE 508   3.014  -8.271  -2.926
 1174    HE1  PHE 508           HE2      PHE 508  -1.277  -7.856  -0.561
 1175    HE2  PHE 508           HE1      PHE 508   0.916  -8.800  -4.090
 1176    HZ   PHE 508           HZ       PHE 508  -1.233  -8.595  -2.905
 1177    H    LEU 509           H        LEU 509   4.469  -6.632   2.119
 1178    HA   LEU 509           HA       LEU 509   7.330  -6.893   1.666
 1179    HB2  LEU 509           HB2      LEU 509   5.800  -4.856   3.284
 1180    HB3  LEU 509           HB1      LEU 509   7.507  -4.785   2.901
 1181    HG   LEU 509           HG       LEU 509   5.233  -4.588   0.926
 1182   HD11  LEU 509          1HD1      LEU 509   5.523  -2.601   2.317
 1183   HD12  LEU 509          2HD1      LEU 509   5.992  -2.292   0.646
 1184   HD13  LEU 509          3HD1      LEU 509   7.229  -2.541   1.879
 1185   HD21  LEU 509          3HD2      LEU 509   8.214  -4.441   0.491
 1186   HD22  LEU 509          1HD2      LEU 509   6.981  -4.091  -0.719
 1187   HD23  LEU 509          2HD2      LEU 509   7.140  -5.723  -0.070
 1188    H    GLY 510           H        GLY 510   5.211  -8.281   3.752
 1189    HA2  GLY 510           HA2      GLY 510   6.447  -7.964   6.269
 1190    HA3  GLY 510           HA1      GLY 510   5.372  -9.275   5.815
 1191    H    LYS 511           H        LYS 511   7.380  -9.809   3.542
 1192    HA   LYS 511           HA       LYS 511   9.088 -11.573   5.117
 1193    HB2  LYS 511           HB2      LYS 511   8.817 -11.378   2.111
 1194    HB3  LYS 511           HB1      LYS 511   9.654 -12.636   3.000
 1195    HG2  LYS 511           HG2      LYS 511   7.672 -13.644   2.417
 1196    HG3  LYS 511           HG1      LYS 511   7.353 -13.089   4.059
 1197    HD2  LYS 511           HD2      LYS 511   6.187 -11.140   3.207
 1198    HD3  LYS 511           HD1      LYS 511   6.571 -11.611   1.551
 1199    HE2  LYS 511           HE2      LYS 511   4.305 -12.223   2.045
 1200    HE3  LYS 511           HE1      LYS 511   5.278 -13.684   1.882
 1201    HZ1  LYS 511           HZ1      LYS 511   3.790 -13.844   3.767
 1202    HZ2  LYS 511           HZ2      LYS 511   4.429 -12.421   4.436
 1203    HZ3  LYS 511           HZ3      LYS 511   5.397 -13.807   4.308
 1204    H    PHE 512           H        PHE 512   9.183  -8.497   4.074
 1205    HA   PHE 512           HA       PHE 512  12.103  -8.530   3.714
 1206    HB2  PHE 512           HB2      PHE 512  10.170  -6.707   2.259
 1207    HB3  PHE 512           HB1      PHE 512  11.918  -6.764   2.054
 1208    HD1  PHE 512           HD2      PHE 512  12.972  -8.654   0.914
 1209    HD2  PHE 512           HD1      PHE 512   8.732  -8.325   1.208
 1210    HE1  PHE 512           HE2      PHE 512  12.715 -10.332  -0.869
 1211    HE2  PHE 512           HE1      PHE 512   8.476  -9.994  -0.575
 1212    HZ   PHE 512           HZ       PHE 512  10.466 -11.004  -1.613
 1213    HA   PRO 513           HA       PRO 513  10.959  -6.203   7.524
 1214    HB2  PRO 513           HB2      PRO 513  13.917  -6.476   7.792
 1215    HB3  PRO 513           HB1      PRO 513  12.648  -6.737   8.995
 1216    HG2  PRO 513           HG2      PRO 513  13.846  -8.809   7.846
 1217    HG3  PRO 513           HG1      PRO 513  12.099  -8.834   8.150
 1218    HD2  PRO 513           HD2      PRO 513  13.574  -8.396   5.589
 1219    HD3  PRO 513           HD1      PRO 513  12.053  -9.265   5.882
 1220    H    GLU 514           H        GLU 514  13.841  -5.566   5.543
 1221    HA   GLU 514           HA       GLU 514  14.224  -2.896   6.278
 1222    HB2  GLU 514           HB2      GLU 514  15.943  -4.097   5.101
 1223    HB3  GLU 514           HB1      GLU 514  14.885  -4.363   3.722
 1224    HG2  GLU 514           HG2      GLU 514  14.874  -1.966   3.266
 1225    HG3  GLU 514           HG1      GLU 514  15.935  -1.701   4.650
 1226    H    LEU 515           H        LEU 515  12.332  -4.303   3.641
 1227    HA   LEU 515           HA       LEU 515  11.653  -1.814   2.458
 1228    HB2  LEU 515           HB2      LEU 515  11.446  -4.509   1.784
 1229    HB3  LEU 515           HB1      LEU 515   9.784  -3.964   1.912
 1230    HG   LEU 515           HG       LEU 515  10.115  -2.293   0.236
 1231   HD11  LEU 515          1HD1      LEU 515  13.025  -3.075   0.304
 1232   HD12  LEU 515          2HD1      LEU 515  12.333  -1.546   0.850
 1233   HD13  LEU 515          3HD1      LEU 515  12.292  -1.973  -0.862
 1234   HD21  LEU 515          3HD2      LEU 515   9.683  -4.537  -0.592
 1235   HD22  LEU 515          1HD2      LEU 515  11.412  -4.886  -0.594
 1236   HD23  LEU 515          2HD2      LEU 515  10.755  -3.671  -1.692
 1237    H    PHE 516           H        PHE 516  10.025  -4.005   4.691
 1238    HA   PHE 516           HA       PHE 516   7.579  -2.593   4.802
 1239    HB2  PHE 516           HB2      PHE 516   7.962  -4.963   5.552
 1240    HB3  PHE 516           HB1      PHE 516   8.799  -4.327   6.962
 1241    HD1  PHE 516           HD1      PHE 516   5.543  -3.997   5.177
 1242    HD2  PHE 516           HD2      PHE 516   7.597  -4.039   8.905
 1243    HE1  PHE 516           HE1      PHE 516   3.390  -3.845   6.358
 1244    HE2  PHE 516           HE2      PHE 516   5.448  -3.880  10.096
 1245    HZ   PHE 516           HZ       PHE 516   3.338  -3.783   8.821
 1246    H    ASN 517           H        ASN 517  10.540  -2.444   6.736
 1247    HA   ASN 517           HA       ASN 517   9.652  -0.563   8.640
 1248    HB2  ASN 517           HB2      ASN 517  11.726  -1.924   8.855
 1249    HB3  ASN 517           HB1      ASN 517  12.466  -0.954   7.587
 1250   HD21  ASN 517          1HD2      ASN 517  10.395   0.086  10.257
 1251   HD22  ASN 517          2HD2      ASN 517  11.580   1.093  11.014
 1252    H    TRP 518           H        TRP 518  11.336  -0.185   5.541
 1253    HA   TRP 518           HA       TRP 518  11.683   2.578   5.540
 1254    HB2  TRP 518           HB2      TRP 518  12.631   0.953   3.873
 1255    HB3  TRP 518           HB1      TRP 518  11.039   0.841   3.139
 1256    HD1  TRP 518           HD1      TRP 518  14.176   2.870   3.085
 1257    HE1  TRP 518           HE1      TRP 518  13.934   4.819   1.421
 1258    HE3  TRP 518           HE3      TRP 518   9.139   2.616   2.232
 1259    HZ2  TRP 518           HZ2      TRP 518  11.893   6.090  -0.039
 1260    HZ3  TRP 518           HZ3      TRP 518   8.124   4.238   0.691
 1261    HH2  TRP 518           HH2      TRP 518   9.474   5.940  -0.421
 1262    H    PHE 519           H        PHE 519   8.973   0.632   4.332
 1263    HA   PHE 519           HA       PHE 519   7.423   2.693   3.287
 1264    HB2  PHE 519           HB2      PHE 519   7.154   0.132   3.096
 1265    HB3  PHE 519           HB1      PHE 519   6.231   0.256   4.590
 1266    HD1  PHE 519           HD1      PHE 519   6.398   2.210   1.418
 1267    HD2  PHE 519           HD2      PHE 519   3.964   0.144   4.227
 1268    HE1  PHE 519           HE1      PHE 519   4.412   2.765   0.099
 1269    HE2  PHE 519           HE2      PHE 519   1.975   0.695   2.914
 1270    HZ   PHE 519           HZ       PHE 519   2.192   2.007   0.841
 1271    H    LYS 520           H        LYS 520   7.352   1.222   6.515
 1272    HA   LYS 520           HA       LYS 520   5.285   2.791   7.592
 1273    HB2  LYS 520           HB2      LYS 520   7.663   1.529   8.963
 1274    HB3  LYS 520           HB1      LYS 520   6.252   2.170   9.793
 1275    HG2  LYS 520           HG2      LYS 520   4.841   0.503   8.797
 1276    HG3  LYS 520           HG1      LYS 520   6.167  -0.074   7.786
 1277    HD2  LYS 520           HD2      LYS 520   5.864  -1.553   9.683
 1278    HD3  LYS 520           HD1      LYS 520   7.409  -0.711   9.811
 1279    HE2  LYS 520           HE2      LYS 520   6.242   0.954  11.300
 1280    HE3  LYS 520           HE1      LYS 520   4.864  -0.145  11.312
 1281    HZ1  LYS 520           HZ1      LYS 520   7.609  -0.822  12.217
 1282    HZ2  LYS 520           HZ2      LYS 520   6.265  -1.853  12.273
 1283    HZ3  LYS 520           HZ3      LYS 520   6.304  -0.457  13.233
 1284    H    ASN 521           H        ASN 521   8.781   3.284   7.461
 1285    HA   ASN 521           HA       ASN 521   8.855   5.588   9.096
 1286    HB2  ASN 521           HB2      ASN 521  10.852   4.255   8.648
 1287    HB3  ASN 521           HB1      ASN 521  10.771   4.674   6.941
 1288   HD21  ASN 521          1HD2      ASN 521  11.512   6.648   6.260
 1289   HD22  ASN 521          2HD2      ASN 521  12.365   7.742   7.293
 1290    H    PHE 522           H        PHE 522   8.635   5.177   5.580
 1291    HA   PHE 522           HA       PHE 522   8.833   7.924   4.947
 1292    HB2  PHE 522           HB2      PHE 522   9.166   6.037   3.329
 1293    HB3  PHE 522           HB1      PHE 522   7.426   5.777   3.342
 1294    HD1  PHE 522           HD1      PHE 522   9.281   8.996   3.287
 1295    HD2  PHE 522           HD2      PHE 522   6.786   6.288   1.145
 1296    HE1  PHE 522           HE1      PHE 522   9.053  10.637   1.472
 1297    HE2  PHE 522           HE2      PHE 522   6.554   7.930  -0.664
 1298    HZ   PHE 522           HZ       PHE 522   7.689  10.105  -0.504
 1299    H    LEU 523           H        LEU 523   6.046   5.791   5.437
 1300    HA   LEU 523           HA       LEU 523   4.092   7.795   4.910
 1301    HB2  LEU 523           HB2      LEU 523   3.908   5.162   6.364
 1302    HB3  LEU 523           HB1      LEU 523   2.526   6.170   5.986
 1303    HG   LEU 523           HG       LEU 523   4.370   5.023   3.890
 1304   HD11  LEU 523          1HD1      LEU 523   3.220   3.257   5.159
 1305   HD12  LEU 523          2HD1      LEU 523   2.667   3.367   3.489
 1306   HD13  LEU 523          3HD1      LEU 523   1.677   4.028   4.789
 1307   HD21  LEU 523          3HD2      LEU 523   1.609   6.211   3.704
 1308   HD22  LEU 523          1HD2      LEU 523   2.576   5.584   2.369
 1309   HD23  LEU 523          2HD2      LEU 523   3.104   7.027   3.238
 1310    H    GLY 524           H        GLY 524   5.892   6.883   7.724
 1311    HA2  GLY 524           HA2      GLY 524   6.088   8.124   9.696
 1312    HA3  GLY 524           HA1      GLY 524   4.679   9.064   9.224
 1313    H    TYR 525           H        TYR 525   4.921   5.564   9.340
 1314    HA   TYR 525           HA       TYR 525   2.623   5.476  11.139
 1315    HB2  TYR 525           HB2      TYR 525   2.655   4.073   9.081
 1316    HB3  TYR 525           HB1      TYR 525   4.062   3.223   9.709
 1317    HD1  TYR 525           HD1      TYR 525   0.447   3.752  10.103
 1318    HD2  TYR 525           HD2      TYR 525   3.835   1.555  11.434
 1319    HE1  TYR 525           HE1      TYR 525  -1.040   2.153  11.232
 1320    HE2  TYR 525           HE2      TYR 525   2.358  -0.048  12.571
 1321    HH   TYR 525           HH       TYR 525  -1.008  -0.150  12.034
 1322    H    LYS 526           H        LYS 526   2.948   5.365  13.249
 1323    HA   LYS 526           HA       LYS 526   5.302   3.916  14.257
 1324    HB2  LYS 526           HB2      LYS 526   4.396   6.637  15.225
 1325    HB3  LYS 526           HB1      LYS 526   5.686   5.676  15.936
 1326    HG2  LYS 526           HG2      LYS 526   6.877   5.803  13.740
 1327    HG3  LYS 526           HG1      LYS 526   5.641   6.943  13.207
 1328    HD2  LYS 526           HD2      LYS 526   7.564   8.168  13.986
 1329    HD3  LYS 526           HD1      LYS 526   6.234   8.402  15.124
 1330    HE2  LYS 526           HE2      LYS 526   7.186   6.793  16.639
 1331    HE3  LYS 526           HE1      LYS 526   8.443   6.379  15.473
 1332    HZ1  LYS 526           HZ1      LYS 526   8.102   8.990  16.854
 1333    HZ2  LYS 526           HZ2      LYS 526   9.264   8.673  15.658
 1334    HZ3  LYS 526           HZ3      LYS 526   9.324   7.845  17.138
 1335    H    GLU 527           H        GLU 527   2.263   3.618  14.056
 1336    HA   GLU 527           HA       GLU 527   1.435   3.526  16.823
 1337    HB2  GLU 527           HB2      GLU 527   0.018   2.563  14.329
 1338    HB3  GLU 527           HB1      GLU 527  -0.698   2.689  15.929
 1339    HG2  GLU 527           HG2      GLU 527  -1.457   4.631  15.066
 1340    HG3  GLU 527           HG1      GLU 527   0.097   5.209  15.663
 1341    H    SER 528           H        SER 528   3.651   1.808  15.754
 1342    HA   SER 528           HA       SER 528   2.577  -0.784  16.625
 1343    HB2  SER 528           HB2      SER 528   4.316  -1.781  15.048
 1344    HB3  SER 528           HB1      SER 528   2.921  -1.018  14.284
 1345    HG   SER 528           HG       SER 528   5.376   0.327  14.758
  Start of MODEL    9
    1    H1   SER 127           HT1      SER 127  21.287 -35.173   6.779
    2    H2   SER 127           HT2      SER 127  21.484 -34.449   5.258
    3    H3   SER 127           HT3      SER 127  20.163 -35.473   5.546
    4    HA   SER 127           HA       SER 127  20.647 -32.891   6.902
    5    HB2  SER 127           HB2      SER 127  18.619 -33.603   4.764
    6    HB3  SER 127           HB1      SER 127  18.793 -32.039   5.555
    7    HG   SER 127           HG       SER 127  20.053 -32.930   3.397
    8    H    ASN 128           H        ASN 128  19.544 -32.647   8.715
    9    HA   ASN 128           HA       ASN 128  18.026 -34.851   9.739
   10    HB2  ASN 128           HB2      ASN 128  18.660 -32.118  10.849
   11    HB3  ASN 128           HB1      ASN 128  17.687 -33.298  11.717
   12   HD21  ASN 128          1HD2      ASN 128  19.180 -33.394  13.386
   13   HD22  ASN 128          2HD2      ASN 128  20.701 -34.213  13.218
   14    H    ALA 129           H        ALA 129  17.249 -31.573   8.659
   15    HA   ALA 129           HA       ALA 129  14.412 -32.372   8.628
   16    HB1  ALA 129           HB1      ALA 129  14.800 -30.756  10.418
   17    HB2  ALA 129           HB2      ALA 129  13.800 -30.060   9.143
   18    HB3  ALA 129           HB3      ALA 129  15.507 -29.631   9.258
   19    H    GLY 130           H        GLY 130  16.262 -29.571   7.420
   20    HA2  GLY 130           HA2      GLY 130  16.396 -28.649   5.318
   21    HA3  GLY 130           HA1      GLY 130  16.158 -30.275   4.694
   22    H    SER 131           H        SER 131  14.828 -29.596   3.009
   23    HA   SER 131           HA       SER 131  12.419 -28.120   3.566
   24    HB2  SER 131           HB2      SER 131  13.732 -28.056   1.373
   25    HB3  SER 131           HB1      SER 131  13.055 -29.649   1.034
   26    HG   SER 131           HG       SER 131  11.741 -27.157   1.269
   27    H    ASP 132           H        ASP 132  10.562 -28.970   4.248
   28    HA   ASP 132           HA       ASP 132   9.830 -31.706   3.606
   29    HB2  ASP 132           HB2      ASP 132  11.093 -32.091   5.622
   30    HB3  ASP 132           HB1      ASP 132  10.289 -30.756   6.443
   31    H    ASP 133           H        ASP 133   8.868 -29.354   6.064
   32    HA   ASP 133           HA       ASP 133   6.582 -28.372   4.742
   33    HB2  ASP 133           HB2      ASP 133   5.817 -30.742   5.223
   34    HB3  ASP 133           HB1      ASP 133   5.986 -30.381   6.936
   35    H    ASP 134           H        ASP 134   5.125 -27.261   6.524
   36    HA   ASP 134           HA       ASP 134   4.904 -25.822   8.255
   37    HB2  ASP 134           HB2      ASP 134   5.507 -27.547   9.791
   38    HB3  ASP 134           HB1      ASP 134   7.210 -27.419   9.368
   39    H    GLY 135           H        GLY 135   5.247 -23.815   7.681
   40    HA2  GLY 135           HA2      GLY 135   8.029 -22.824   7.712
   41    HA3  GLY 135           HA1      GLY 135   6.935 -22.377   6.407
   42    H    GLY 136           H        GLY 136   8.177 -20.469   8.016
   43    HA2  GLY 136           HA2      GLY 136   6.278 -19.631  10.040
   44    HA3  GLY 136           HA1      GLY 136   7.744 -18.784   9.561
   45    H    ASP 137           H        ASP 137   4.400 -18.845   9.375
   46    HA   ASP 137           HA       ASP 137   2.833 -17.551   8.369
   47    HB2  ASP 137           HB2      ASP 137   4.208 -15.599   8.735
   48    HB3  ASP 137           HB1      ASP 137   5.215 -15.991   7.345
   49    H    SER 138           H        SER 138   5.472 -17.671   5.984
   50    HA   SER 138           HA       SER 138   3.571 -18.876   4.091
   51    HB2  SER 138           HB2      SER 138   6.123 -17.347   3.512
   52    HB3  SER 138           HB1      SER 138   4.998 -17.981   2.309
   53    HG   SER 138           HG       SER 138   4.004 -16.269   4.307
   54    HA   PRO 139           HA       PRO 139   6.225 -22.442   4.978
   55    HB2  PRO 139           HB2      PRO 139   4.580 -24.246   3.756
   56    HB3  PRO 139           HB1      PRO 139   4.345 -23.679   5.413
   57    HG2  PRO 139           HG2      PRO 139   2.985 -22.807   2.899
   58    HG3  PRO 139           HG1      PRO 139   2.296 -23.079   4.510
   59    HD2  PRO 139           HD2      PRO 139   2.855 -20.606   3.558
   60    HD3  PRO 139           HD1      PRO 139   2.963 -21.013   5.282
   61    H    VAL 140           H        VAL 140   4.682 -21.693   1.887
   62    HA   VAL 140           HA       VAL 140   6.550 -23.241   0.345
   63    HB   VAL 140           HB       VAL 140   4.596 -21.134  -0.597
   64   HG11  VAL 140          1HG1      VAL 140   6.012 -23.339  -2.084
   65   HG12  VAL 140          2HG1      VAL 140   6.306 -21.608  -2.245
   66   HG13  VAL 140          3HG1      VAL 140   4.765 -22.293  -2.761
   67   HG21  VAL 140          3HG2      VAL 140   3.108 -23.024  -1.127
   68   HG22  VAL 140          1HG2      VAL 140   3.418 -22.878   0.605
   69   HG23  VAL 140          2HG2      VAL 140   4.246 -24.118  -0.339
   70    H    GLN 141           H        GLN 141   8.549 -22.613  -0.076
   71    HA   GLN 141           HA       GLN 141   9.309 -19.832   0.290
   72    HB2  GLN 141           HB2      GLN 141  10.670 -21.737   1.193
   73    HB3  GLN 141           HB1      GLN 141  11.044 -22.190  -0.465
   74    HG2  GLN 141           HG2      GLN 141  12.173 -20.088  -0.825
   75    HG3  GLN 141           HG1      GLN 141  11.723 -19.540   0.791
   76   HE21  GLN 141          1HE2      GLN 141  12.758 -20.412   2.574
   77   HE22  GLN 141          2HE2      GLN 141  14.231 -21.314   2.449
   78    H    ASP 142           H        ASP 142  10.355 -18.594  -1.294
   79    HA   ASP 142           HA       ASP 142  10.616 -17.651  -3.332
   80    HB2  ASP 142           HB2      ASP 142  11.817 -19.759  -3.930
   81    HB3  ASP 142           HB1      ASP 142  10.288 -20.420  -4.506
   82    H    ILE 143           H        ILE 143   8.960 -16.361  -3.716
   83    HA   ILE 143           HA       ILE 143   6.293 -17.459  -3.870
   84    HB   ILE 143           HB       ILE 143   5.825 -14.862  -4.334
   85   HG12  ILE 143          2HG1      ILE 143   7.356 -13.629  -2.694
   86   HG13  ILE 143          1HG1      ILE 143   8.473 -14.969  -2.906
   87   HG21  ILE 143          1HG2      ILE 143   6.348 -16.082  -1.638
   88   HG22  ILE 143          2HG2      ILE 143   4.855 -16.194  -2.572
   89   HG23  ILE 143          3HG2      ILE 143   5.395 -14.632  -1.956
   90   HD11  ILE 143          3HD1      ILE 143   9.039 -13.076  -4.322
   91   HD12  ILE 143          1HD1      ILE 143   7.454 -13.168  -5.085
   92   HD13  ILE 143          2HD1      ILE 143   8.604 -14.489  -5.283
   93    H    ASP 144           H        ASP 144   5.029 -17.654  -5.560
   94    HA   ASP 144           HA       ASP 144   5.921 -16.786  -8.188
   95    HB2  ASP 144           HB2      ASP 144   4.797 -18.979  -7.947
   96    HB3  ASP 144           HB1      ASP 144   3.366 -18.176  -7.313
   97    H    THR 145           H        THR 145   3.129 -16.376  -6.074
   98    HA   THR 145           HA       THR 145   2.917 -13.562  -6.629
   99    HB   THR 145           HB       THR 145   0.608 -15.375  -7.385
  100    HG1  THR 145           HG1      THR 145   2.224 -15.450  -8.997
  101   HG21  THR 145          3HG2      THR 145   0.956 -12.386  -7.619
  102   HG22  THR 145          1HG2      THR 145  -0.106 -13.223  -6.488
  103   HG23  THR 145          2HG2      THR 145  -0.421 -13.306  -8.222
  104    HA   PRO 146           HA       PRO 146   1.515 -14.457  -2.377
  105    HB2  PRO 146           HB2      PRO 146   1.956 -11.596  -1.964
  106    HB3  PRO 146           HB1      PRO 146   2.733 -12.968  -1.172
  107    HG2  PRO 146           HG2      PRO 146   4.039 -11.354  -2.911
  108    HG3  PRO 146           HG1      PRO 146   4.428 -13.072  -2.714
  109    HD2  PRO 146           HD2      PRO 146   2.830 -11.724  -4.859
  110    HD3  PRO 146           HD1      PRO 146   4.009 -13.046  -4.993
  111    H    GLU 147           H        GLU 147  -0.285 -13.526  -1.083
  112    HA   GLU 147           HA       GLU 147  -2.273 -12.354  -2.918
  113    HB2  GLU 147           HB2      GLU 147  -3.995 -13.586  -1.669
  114    HB3  GLU 147           HB1      GLU 147  -2.810 -14.662  -2.395
  115    HG2  GLU 147           HG2      GLU 147  -1.694 -14.864  -0.211
  116    HG3  GLU 147           HG1      GLU 147  -2.942 -13.839   0.499
  117    H    VAL 148           H        VAL 148  -3.681 -10.816  -2.169
  118    HA   VAL 148           HA       VAL 148  -2.920  -9.552   0.369
  119    HB   VAL 148           HB       VAL 148  -2.617  -8.034  -1.458
  120   HG11  VAL 148          1HG1      VAL 148  -4.007  -9.085  -3.135
  121   HG12  VAL 148          2HG1      VAL 148  -4.451  -7.386  -2.959
  122   HG13  VAL 148          3HG1      VAL 148  -5.460  -8.640  -2.240
  123   HG21  VAL 148          3HG2      VAL 148  -5.193  -7.348  -0.047
  124   HG22  VAL 148          1HG2      VAL 148  -4.111  -6.207  -0.846
  125   HG23  VAL 148          2HG2      VAL 148  -3.569  -7.080   0.588
  126    H    ASP 149           H        ASP 149  -4.276  -9.708   2.008
  127    HA   ASP 149           HA       ASP 149  -7.012 -10.556   1.553
  128    HB2  ASP 149           HB2      ASP 149  -5.881 -11.622   3.402
  129    HB3  ASP 149           HB1      ASP 149  -5.459 -10.059   4.099
  130    H    LEU 150           H        LEU 150  -8.760  -9.305   1.731
  131    HA   LEU 150           HA       LEU 150  -8.336  -6.489   2.472
  132    HB2  LEU 150           HB2      LEU 150 -10.271  -7.708   0.505
  133    HB3  LEU 150           HB1      LEU 150 -10.347  -6.036   1.033
  134    HG   LEU 150           HG       LEU 150  -7.950  -7.245  -0.348
  135   HD11  LEU 150          1HD1      LEU 150 -10.161  -5.550  -1.487
  136   HD12  LEU 150          2HD1      LEU 150  -9.890  -7.259  -1.830
  137   HD13  LEU 150          3HD1      LEU 150  -8.700  -6.058  -2.330
  138   HD21  LEU 150          3HD2      LEU 150  -7.481  -5.288   1.050
  139   HD22  LEU 150          1HD2      LEU 150  -8.739  -4.387   0.200
  140   HD23  LEU 150          2HD2      LEU 150  -7.298  -4.923  -0.665
  141    H    TYR 151           H        TYR 151  -9.526  -9.287   3.614
  142    HA   TYR 151           HA       TYR 151 -12.024  -8.393   4.714
  143    HB2  TYR 151           HB2      TYR 151 -11.318 -10.813   4.236
  144    HB3  TYR 151           HB1      TYR 151 -10.346 -10.705   5.698
  145    HD1  TYR 151           HD1      TYR 151 -13.835 -10.309   4.470
  146    HD2  TYR 151           HD2      TYR 151 -11.301 -11.227   7.758
  147    HE1  TYR 151           HE1      TYR 151 -15.799 -10.963   5.791
  148    HE2  TYR 151           HE2      TYR 151 -13.261 -11.880   9.090
  149    HH   TYR 151           HH       TYR 151 -15.604 -11.566   9.194
  150    H    GLN 152           H        GLN 152  -8.690  -8.333   5.558
  151    HA   GLN 152           HA       GLN 152  -8.875  -7.676   8.289
  152    HB2  GLN 152           HB2      GLN 152  -6.584  -6.773   7.985
  153    HB3  GLN 152           HB1      GLN 152  -6.781  -8.394   7.334
  154    HG2  GLN 152           HG2      GLN 152  -6.887  -7.527   5.094
  155    HG3  GLN 152           HG1      GLN 152  -6.882  -5.870   5.698
  156   HE21  GLN 152          1HE2      GLN 152  -5.039  -7.154   3.861
  157   HE22  GLN 152          2HE2      GLN 152  -3.470  -7.005   4.586
  158    H    LEU 153           H        LEU 153  -9.458  -5.797   5.431
  159    HA   LEU 153           HA       LEU 153  -8.845  -3.235   6.439
  160    HB2  LEU 153           HB2      LEU 153 -10.810  -4.082   4.318
  161    HB3  LEU 153           HB1      LEU 153 -10.455  -2.409   4.694
  162    HG   LEU 153           HG       LEU 153  -8.613  -4.454   3.477
  163   HD11  LEU 153          1HD1      LEU 153 -10.119  -3.348   1.937
  164   HD12  LEU 153          2HD1      LEU 153  -8.472  -2.761   1.697
  165   HD13  LEU 153          3HD1      LEU 153  -9.643  -1.770   2.569
  166   HD21  LEU 153          3HD2      LEU 153  -6.892  -2.701   3.520
  167   HD22  LEU 153          1HD2      LEU 153  -7.339  -3.244   5.139
  168   HD23  LEU 153          2HD2      LEU 153  -7.950  -1.708   4.522
  169    H    GLN 154           H        GLN 154 -10.119  -1.657   7.363
  170    HA   GLN 154           HA       GLN 154 -12.114  -2.464   9.160
  171    HB2  GLN 154           HB2      GLN 154 -11.290   0.240   8.120
  172    HB3  GLN 154           HB1      GLN 154 -12.614   0.057   9.260
  173    HG2  GLN 154           HG2      GLN 154 -10.876   0.503  10.667
  174    HG3  GLN 154           HG1      GLN 154 -10.864  -1.257  10.664
  175   HE21  GLN 154          1HE2      GLN 154  -8.723   0.537  11.312
  176   HE22  GLN 154          2HE2      GLN 154  -7.429   0.216  10.198
  177    H    VAL 155           H        VAL 155 -14.325  -2.237   9.153
  178    HA   VAL 155           HA       VAL 155 -15.658  -2.790   6.768
  179    HB   VAL 155           HB       VAL 155 -16.617  -3.446   8.877
  180   HG11  VAL 155          1HG1      VAL 155 -15.862  -1.659  10.295
  181   HG12  VAL 155          2HG1      VAL 155 -17.613  -1.824  10.427
  182   HG13  VAL 155          3HG1      VAL 155 -16.921  -0.514   9.472
  183   HG21  VAL 155          3HG2      VAL 155 -18.938  -2.642   8.616
  184   HG22  VAL 155          1HG2      VAL 155 -18.202  -3.157   7.098
  185   HG23  VAL 155          2HG2      VAL 155 -18.359  -1.439   7.462
  186    H    ASN 156           H        ASN 156 -15.072   0.273   8.410
  187    HA   ASN 156           HA       ASN 156 -16.739   1.824   6.679
  188    HB2  ASN 156           HB2      ASN 156 -16.100   2.575   8.947
  189    HB3  ASN 156           HB1      ASN 156 -14.427   2.717   8.417
  190   HD21  ASN 156          1HD2      ASN 156 -14.318   4.898   8.835
  191   HD22  ASN 156          2HD2      ASN 156 -15.160   6.079   7.878
  192    H    THR 157           H        THR 157 -13.349   0.849   6.641
  193    HA   THR 157           HA       THR 157 -12.496   2.587   4.580
  194    HB   THR 157           HB       THR 157 -11.413  -0.162   5.251
  195    HG1  THR 157           HG1      THR 157  -9.876   1.676   6.305
  196   HG21  THR 157          3HG2      THR 157 -10.604   0.750   3.111
  197   HG22  THR 157          1HG2      THR 157  -9.319   0.676   4.317
  198   HG23  THR 157          2HG2      THR 157 -10.088   2.219   3.942
  199    H    LEU 158           H        LEU 158 -13.865  -0.667   4.578
  200    HA   LEU 158           HA       LEU 158 -13.798  -1.107   1.782
  201    HB2  LEU 158           HB2      LEU 158 -15.839  -2.140   3.751
  202    HB3  LEU 158           HB1      LEU 158 -15.415  -2.846   2.202
  203    HG   LEU 158           HG       LEU 158 -13.484  -2.615   4.497
  204   HD11  LEU 158          1HD1      LEU 158 -15.228  -4.935   3.679
  205   HD12  LEU 158          2HD1      LEU 158 -15.341  -4.012   5.178
  206   HD13  LEU 158          3HD1      LEU 158 -13.922  -5.010   4.861
  207   HD21  LEU 158          3HD2      LEU 158 -12.441  -2.826   2.314
  208   HD22  LEU 158          1HD2      LEU 158 -13.455  -4.220   1.941
  209   HD23  LEU 158          2HD2      LEU 158 -12.250  -4.324   3.224
  210    H    ARG 159           H        ARG 159 -16.124   0.334   3.960
  211    HA   ARG 159           HA       ARG 159 -18.204   0.834   2.142
  212    HB2  ARG 159           HB2      ARG 159 -18.365   0.979   4.630
  213    HB3  ARG 159           HB1      ARG 159 -17.420   2.460   4.570
  214    HG2  ARG 159           HG2      ARG 159 -19.179   3.529   3.253
  215    HG3  ARG 159           HG1      ARG 159 -20.124   2.040   3.319
  216    HD2  ARG 159           HD2      ARG 159 -20.981   3.488   5.003
  217    HD3  ARG 159           HD1      ARG 159 -20.058   2.227   5.820
  218    HE   ARG 159           HE       ARG 159 -18.202   3.954   5.870
  219   HH11  ARG 159          1HH1      ARG 159 -21.592   4.814   5.887
  220   HH12  ARG 159          2HH1      ARG 159 -21.340   6.303   6.759
  221   HH21  ARG 159          1HH2      ARG 159 -17.862   5.887   7.031
  222   HH22  ARG 159          2HH2      ARG 159 -19.220   6.906   7.432
  223    H    ARG 160           H        ARG 160 -15.320   2.659   3.007
  224    HA   ARG 160           HA       ARG 160 -15.996   5.016   1.587
  225    HB2  ARG 160           HB2      ARG 160 -14.180   4.556   3.428
  226    HB3  ARG 160           HB1      ARG 160 -13.162   4.164   2.049
  227    HG2  ARG 160           HG2      ARG 160 -13.497   6.377   1.131
  228    HG3  ARG 160           HG1      ARG 160 -14.599   6.779   2.446
  229    HD2  ARG 160           HD2      ARG 160 -11.637   6.287   2.576
  230    HD3  ARG 160           HD1      ARG 160 -12.519   7.747   3.017
  231    HE   ARG 160           HE       ARG 160 -12.733   5.226   4.542
  232   HH11  ARG 160          1HH1      ARG 160 -12.434   8.706   4.409
  233   HH12  ARG 160          2HH1      ARG 160 -12.376   8.900   6.138
  234   HH21  ARG 160          1HH2      ARG 160 -12.632   5.472   6.823
  235   HH22  ARG 160          2HH2      ARG 160 -12.473   7.067   7.502
  236    H    TYR 161           H        TYR 161 -13.982   2.195   0.811
  237    HA   TYR 161           HA       TYR 161 -13.122   2.835  -1.710
  238    HB2  TYR 161           HB2      TYR 161 -12.449   0.810  -0.498
  239    HB3  TYR 161           HB1      TYR 161 -14.059   0.136  -0.715
  240    HD1  TYR 161           HD1      TYR 161 -10.873   0.908  -2.353
  241    HD2  TYR 161           HD2      TYR 161 -14.751  -0.765  -2.860
  242    HE1  TYR 161           HE1      TYR 161 -10.148  -0.125  -4.463
  243    HE2  TYR 161           HE2      TYR 161 -14.037  -1.799  -4.971
  244    HH   TYR 161           HH       TYR 161 -10.799  -2.031  -5.897
  245    H    LYS 162           H        LYS 162 -16.141   1.089  -0.960
  246    HA   LYS 162           HA       LYS 162 -16.903   0.972  -3.698
  247    HB2  LYS 162           HB2      LYS 162 -19.130   0.228  -2.789
  248    HB3  LYS 162           HB1      LYS 162 -17.743  -0.741  -2.318
  249    HG2  LYS 162           HG2      LYS 162 -17.725   0.218  -0.139
  250    HG3  LYS 162           HG1      LYS 162 -18.950   1.403  -0.597
  251    HD2  LYS 162           HD2      LYS 162 -19.800  -0.548   0.734
  252    HD3  LYS 162           HD1      LYS 162 -20.612  -0.278  -0.807
  253    HE2  LYS 162           HE2      LYS 162 -20.149  -2.657  -0.405
  254    HE3  LYS 162           HE1      LYS 162 -19.320  -2.048  -1.837
  255    HZ1  LYS 162           HZ1      LYS 162 -17.874  -3.449  -0.477
  256    HZ2  LYS 162           HZ2      LYS 162 -18.082  -2.411   0.842
  257    HZ3  LYS 162           HZ3      LYS 162 -17.288  -1.862  -0.543
  258    H    ARG 163           H        ARG 163 -17.608   3.251  -1.122
  259    HA   ARG 163           HA       ARG 163 -19.743   4.534  -2.521
  260    HB2  ARG 163           HB2      ARG 163 -19.595   4.714  -0.109
  261    HB3  ARG 163           HB1      ARG 163 -18.018   5.483  -0.227
  262    HG2  ARG 163           HG2      ARG 163 -19.096   7.367  -1.439
  263    HG3  ARG 163           HG1      ARG 163 -20.658   6.608  -1.132
  264    HD2  ARG 163           HD2      ARG 163 -20.364   6.835   1.238
  265    HD3  ARG 163           HD1      ARG 163 -18.711   7.413   1.023
  266    HE   ARG 163           HE       ARG 163 -20.867   8.962  -0.198
  267   HH11  ARG 163          1HH1      ARG 163 -18.522   8.634   2.372
  268   HH12  ARG 163          2HH1      ARG 163 -18.587  10.310   2.822
  269   HH21  ARG 163          1HH2      ARG 163 -20.942  11.164   0.364
  270   HH22  ARG 163          2HH2      ARG 163 -19.942  11.763   1.662
  271    H    HIS 164           H        HIS 164 -16.269   4.994  -2.316
  272    HA   HIS 164           HA       HIS 164 -16.308   7.543  -3.629
  273    HB2  HIS 164           HB2      HIS 164 -14.518   6.417  -2.012
  274    HB3  HIS 164           HB1      HIS 164 -13.823   5.899  -3.544
  275    HD1  HIS 164           HD1      HIS 164 -14.389   8.888  -1.414
  276    HD2  HIS 164           HD2      HIS 164 -12.758   7.991  -5.136
  277    HE1  HIS 164           HE1      HIS 164 -13.103  10.938  -2.105
  278    HE2  HIS 164           HE2      HIS 164 -11.955  10.289  -4.249
  279    H    PHE 165           H        PHE 165 -15.924   4.204  -4.618
  280    HA   PHE 165           HA       PHE 165 -15.304   5.006  -7.354
  281    HB2  PHE 165           HB2      PHE 165 -15.371   2.357  -5.941
  282    HB3  PHE 165           HB1      PHE 165 -15.351   2.437  -7.700
  283    HD1  PHE 165           HD2      PHE 165 -13.416   3.460  -8.863
  284    HD2  PHE 165           HD1      PHE 165 -13.425   2.774  -4.664
  285    HE1  PHE 165           HE2      PHE 165 -10.968   3.704  -8.822
  286    HE2  PHE 165           HE1      PHE 165 -10.983   3.020  -4.617
  287    HZ   PHE 165           HZ       PHE 165  -9.748   3.487  -6.693
  288    H    LYS 166           H        LYS 166 -18.040   4.651  -5.559
  289    HA   LYS 166           HA       LYS 166 -20.250   4.488  -6.008
  290    HB2  LYS 166           HB2      LYS 166 -19.352   5.016  -8.846
  291    HB3  LYS 166           HB1      LYS 166 -21.021   5.068  -8.295
  292    HG2  LYS 166           HG2      LYS 166 -18.794   6.846  -7.320
  293    HG3  LYS 166           HG1      LYS 166 -20.051   7.299  -8.473
  294    HD2  LYS 166           HD2      LYS 166 -20.549   6.405  -5.635
  295    HD3  LYS 166           HD1      LYS 166 -20.506   8.087  -6.167
  296    HE2  LYS 166           HE2      LYS 166 -22.405   5.986  -7.200
  297    HE3  LYS 166           HE1      LYS 166 -22.799   7.189  -5.973
  298    HZ1  LYS 166           HZ1      LYS 166 -22.307   8.923  -7.627
  299    HZ2  LYS 166           HZ2      LYS 166 -23.584   7.917  -8.101
  300    HZ3  LYS 166           HZ3      LYS 166 -22.055   7.726  -8.801
  301    H    LEU 167           H        LEU 167 -19.484   2.158  -5.466
  302    HA   LEU 167           HA       LEU 167 -19.939   0.303  -7.676
  303    HB2  LEU 167           HB2      LEU 167 -19.238  -0.206  -4.782
  304    HB3  LEU 167           HB1      LEU 167 -19.351  -1.435  -6.027
  305    HG   LEU 167           HG       LEU 167 -17.343   0.819  -5.952
  306   HD11  LEU 167          1HD1      LEU 167 -17.018  -2.146  -5.519
  307   HD12  LEU 167          2HD1      LEU 167 -16.928  -0.900  -4.275
  308   HD13  LEU 167          3HD1      LEU 167 -15.715  -0.956  -5.556
  309   HD21  LEU 167          3HD2      LEU 167 -17.646  -1.467  -7.901
  310   HD22  LEU 167          1HD2      LEU 167 -16.319  -0.307  -7.872
  311   HD23  LEU 167          2HD2      LEU 167 -17.957   0.235  -8.244
  312    HA   PRO 168           HA       PRO 168 -24.241  -0.087  -6.797
  313    HB2  PRO 168           HB2      PRO 168 -23.995  -2.859  -7.790
  314    HB3  PRO 168           HB1      PRO 168 -24.981  -1.530  -8.404
  315    HG2  PRO 168           HG2      PRO 168 -22.804  -2.385  -9.717
  316    HG3  PRO 168           HG1      PRO 168 -23.264  -0.673  -9.690
  317    HD2  PRO 168           HD2      PRO 168 -21.139  -2.092  -8.139
  318    HD3  PRO 168           HD1      PRO 168 -21.108  -0.477  -8.878
  319    H    THR 169           H        THR 169 -25.112  -0.463  -4.882
  320    HA   THR 169           HA       THR 169 -24.469  -2.962  -3.484
  321    HB   THR 169           HB       THR 169 -24.580  -1.606  -1.335
  322    HG1  THR 169           HG1      THR 169 -24.369   0.479  -3.266
  323   HG21  THR 169          3HG2      THR 169 -22.240  -0.929  -1.474
  324   HG22  THR 169          1HG2      THR 169 -22.299  -1.045  -3.233
  325   HG23  THR 169          2HG2      THR 169 -22.482  -2.495  -2.245
  326    H    ARG 170           H        ARG 170 -26.018  -3.461  -1.756
  327    HA   ARG 170           HA       ARG 170 -28.682  -2.308  -2.195
  328    HB2  ARG 170           HB2      ARG 170 -29.599  -4.600  -1.692
  329    HB3  ARG 170           HB1      ARG 170 -28.760  -4.464  -3.230
  330    HG2  ARG 170           HG2      ARG 170 -26.791  -5.514  -2.271
  331    HG3  ARG 170           HG1      ARG 170 -27.588  -5.605  -0.699
  332    HD2  ARG 170           HD2      ARG 170 -27.647  -7.737  -1.947
  333    HD3  ARG 170           HD1      ARG 170 -29.251  -7.105  -1.575
  334    HE   ARG 170           HE       ARG 170 -29.025  -6.170  -3.993
  335   HH11  ARG 170          1HH1      ARG 170 -27.871  -9.280  -2.858
  336   HH12  ARG 170          2HH1      ARG 170 -28.104 -10.063  -4.390
  337   HH21  ARG 170          1HH2      ARG 170 -29.357  -7.206  -5.996
  338   HH22  ARG 170          2HH2      ARG 170 -28.968  -8.896  -6.169
  339    HA   PRO 171           HA       PRO 171 -28.627  -1.394   2.092
  340    HB2  PRO 171           HB2      PRO 171 -31.285  -1.835   2.704
  341    HB3  PRO 171           HB1      PRO 171 -30.651  -0.362   1.967
  342    HG2  PRO 171           HG2      PRO 171 -31.982  -2.705   0.681
  343    HG3  PRO 171           HG1      PRO 171 -32.162  -0.977   0.323
  344    HD2  PRO 171           HD2      PRO 171 -30.675  -2.588  -1.226
  345    HD3  PRO 171           HD1      PRO 171 -30.201  -0.904  -0.915
  346    H    GLY 172           H        GLY 172 -27.969  -2.536   3.783
  347    HA2  GLY 172           HA2      GLY 172 -28.438  -4.173   5.502
  348    HA3  GLY 172           HA1      GLY 172 -29.178  -5.187   4.269
  349    H    LEU 173           H        LEU 173 -26.136  -3.442   3.989
  350    HA   LEU 173           HA       LEU 173 -24.805  -5.788   3.055
  351    HB2  LEU 173           HB2      LEU 173 -23.840  -3.016   3.704
  352    HB3  LEU 173           HB1      LEU 173 -22.778  -4.276   3.106
  353    HG   LEU 173           HG       LEU 173 -25.209  -3.278   1.622
  354   HD11  LEU 173          1HD1      LEU 173 -23.648  -2.084   0.188
  355   HD12  LEU 173          2HD1      LEU 173 -22.302  -2.593   1.206
  356   HD13  LEU 173          3HD1      LEU 173 -23.532  -1.507   1.849
  357   HD21  LEU 173          3HD2      LEU 173 -24.520  -5.573   1.098
  358   HD22  LEU 173          1HD2      LEU 173 -22.890  -4.998   0.753
  359   HD23  LEU 173          2HD2      LEU 173 -24.239  -4.479  -0.258
  360    H    ASN 174           H        ASN 174 -22.617  -6.366   3.929
  361    HA   ASN 174           HA       ASN 174 -22.504  -6.344   6.854
  362    HB2  ASN 174           HB2      ASN 174 -23.646  -8.420   6.225
  363    HB3  ASN 174           HB1      ASN 174 -22.365  -8.800   5.080
  364   HD21  ASN 174          1HD2      ASN 174 -23.314  -8.732   8.405
  365   HD22  ASN 174          2HD2      ASN 174 -21.938  -9.587   9.021
  366    H    LYS 175           H        LYS 175 -20.345  -6.867   7.671
  367    HA   LYS 175           HA       LYS 175 -18.205  -5.645   6.485
  368    HB2  LYS 175           HB2      LYS 175 -18.134  -6.351   8.788
  369    HB3  LYS 175           HB1      LYS 175 -18.235  -8.043   8.326
  370    HG2  LYS 175           HG2      LYS 175 -15.982  -7.489   8.988
  371    HG3  LYS 175           HG1      LYS 175 -16.027  -7.877   7.267
  372    HD2  LYS 175           HD2      LYS 175 -16.159  -5.414   6.814
  373    HD3  LYS 175           HD1      LYS 175 -15.860  -5.142   8.532
  374    HE2  LYS 175           HE2      LYS 175 -14.037  -6.657   6.666
  375    HE3  LYS 175           HE1      LYS 175 -13.818  -4.979   7.147
  376    HZ1  LYS 175           HZ1      LYS 175 -13.681  -7.382   8.886
  377    HZ2  LYS 175           HZ2      LYS 175 -13.710  -5.797   9.484
  378    HZ3  LYS 175           HZ3      LYS 175 -12.429  -6.309   8.497
  379    H    ALA 176           H        ALA 176 -18.938  -9.131   6.316
  380    HA   ALA 176           HA       ALA 176 -16.799  -9.839   4.633
  381    HB1  ALA 176           HB1      ALA 176 -18.086 -11.459   5.957
  382    HB2  ALA 176           HB2      ALA 176 -17.999 -11.914   4.256
  383    HB3  ALA 176           HB3      ALA 176 -19.477 -11.201   4.902
  384    H    GLN 177           H        GLN 177 -20.119  -8.863   3.906
  385    HA   GLN 177           HA       GLN 177 -20.051  -9.387   1.136
  386    HB2  GLN 177           HB2      GLN 177 -21.679  -7.326   2.638
  387    HB3  GLN 177           HB1      GLN 177 -21.980  -7.857   0.989
  388    HG2  GLN 177           HG2      GLN 177 -22.332 -10.160   1.868
  389    HG3  GLN 177           HG1      GLN 177 -22.206  -9.494   3.495
  390   HE21  GLN 177          1HE2      GLN 177 -23.697  -7.842   0.797
  391   HE22  GLN 177          2HE2      GLN 177 -25.316  -7.888   1.419
  392    H    LEU 178           H        LEU 178 -19.188  -6.583   3.067
  393    HA   LEU 178           HA       LEU 178 -18.736  -4.798   0.931
  394    HB2  LEU 178           HB2      LEU 178 -17.444  -4.882   3.661
  395    HB3  LEU 178           HB1      LEU 178 -17.397  -3.520   2.557
  396    HG   LEU 178           HG       LEU 178 -19.877  -4.640   3.863
  397   HD11  LEU 178          1HD1      LEU 178 -18.377  -2.073   4.333
  398   HD12  LEU 178          2HD1      LEU 178 -18.420  -3.464   5.415
  399   HD13  LEU 178          3HD1      LEU 178 -19.893  -2.547   5.101
  400   HD21  LEU 178          3HD2      LEU 178 -19.521  -2.222   2.104
  401   HD22  LEU 178          1HD2      LEU 178 -21.011  -2.719   2.906
  402   HD23  LEU 178          2HD2      LEU 178 -20.314  -3.726   1.635
  403    H    VAL 179           H        VAL 179 -16.649  -7.078   2.643
  404    HA   VAL 179           HA       VAL 179 -14.243  -6.485   1.330
  405    HB   VAL 179           HB       VAL 179 -15.212  -9.073   2.555
  406   HG11  VAL 179          1HG1      VAL 179 -13.422  -9.531   0.987
  407   HG12  VAL 179          2HG1      VAL 179 -12.854  -9.721   2.645
  408   HG13  VAL 179          3HG1      VAL 179 -12.429  -8.276   1.728
  409   HG21  VAL 179          3HG2      VAL 179 -15.084  -7.176   4.091
  410   HG22  VAL 179          1HG2      VAL 179 -13.403  -6.922   3.627
  411   HG23  VAL 179          2HG2      VAL 179 -13.874  -8.402   4.463
  412    H    GLU 180           H        GLU 180 -16.846  -8.763   0.545
  413    HA   GLU 180           HA       GLU 180 -15.640  -9.992  -1.656
  414    HB2  GLU 180           HB2      GLU 180 -18.559  -9.431  -1.112
  415    HB3  GLU 180           HB1      GLU 180 -17.980 -10.477  -2.401
  416    HG2  GLU 180           HG2      GLU 180 -16.909 -11.915  -0.704
  417    HG3  GLU 180           HG1      GLU 180 -17.596 -10.892   0.556
  418    H    ILE 181           H        ILE 181 -17.838  -7.193  -1.562
  419    HA   ILE 181           HA       ILE 181 -17.785  -6.620  -4.305
  420    HB   ILE 181           HB       ILE 181 -18.170  -4.679  -2.012
  421   HG12  ILE 181          2HG1      ILE 181 -20.213  -6.219  -3.635
  422   HG13  ILE 181          1HG1      ILE 181 -19.723  -6.620  -1.993
  423   HG21  ILE 181          1HG2      ILE 181 -17.688  -3.549  -4.123
  424   HG22  ILE 181          2HG2      ILE 181 -19.366  -3.304  -3.642
  425   HG23  ILE 181          3HG2      ILE 181 -18.973  -4.461  -4.913
  426   HD11  ILE 181          3HD1      ILE 181 -21.091  -4.084  -2.858
  427   HD12  ILE 181          1HD1      ILE 181 -20.597  -4.479  -1.212
  428   HD13  ILE 181          2HD1      ILE 181 -21.840  -5.441  -2.015
  429    H    VAL 182           H        VAL 182 -15.768  -5.367  -1.653
  430    HA   VAL 182           HA       VAL 182 -14.271  -3.561  -3.220
  431    HB   VAL 182           HB       VAL 182 -13.560  -4.936  -0.621
  432   HG11  VAL 182          1HG1      VAL 182 -11.499  -4.340  -1.770
  433   HG12  VAL 182          2HG1      VAL 182 -11.768  -3.257  -0.404
  434   HG13  VAL 182          3HG1      VAL 182 -12.103  -2.707  -2.046
  435   HG21  VAL 182          3HG2      VAL 182 -14.010  -2.732   0.346
  436   HG22  VAL 182          1HG2      VAL 182 -15.428  -3.385  -0.473
  437   HG23  VAL 182          2HG2      VAL 182 -14.462  -2.129  -1.248
  438    H    GLY 183           H        GLY 183 -13.607  -6.901  -2.209
  439    HA2  GLY 183           HA2      GLY 183 -11.086  -7.112  -3.425
  440    HA3  GLY 183           HA1      GLY 183 -12.119  -8.452  -2.968
  441    H    CYS 184           H        CYS 184 -14.308  -7.805  -4.615
  442    HA   CYS 184           HA       CYS 184 -13.580  -9.068  -7.011
  443    HB2  CYS 184           HB2      CYS 184 -15.863  -9.103  -6.072
  444    HB3  CYS 184           HB1      CYS 184 -16.035  -7.394  -6.445
  445    HG   CYS 184           HG       CYS 184 -15.889 -10.008  -8.639
  446    H    HIS 185           H        HIS 185 -14.181  -5.628  -6.281
  447    HA   HIS 185           HA       HIS 185 -13.597  -4.883  -9.016
  448    HB2  HIS 185           HB2      HIS 185 -15.250  -3.630  -7.636
  449    HB3  HIS 185           HB1      HIS 185 -13.927  -3.077  -6.612
  450    HD1  HIS 185           HD1      HIS 185 -12.625  -1.065  -7.394
  451    HD2  HIS 185           HD2      HIS 185 -15.148  -2.584 -10.330
  452    HE1  HIS 185           HE1      HIS 185 -12.584   0.618  -9.265
  453    HE2  HIS 185           HE2      HIS 185 -13.921  -0.446 -11.118
  454    H    PHE 186           H        PHE 186 -11.880  -5.045  -5.983
  455    HA   PHE 186           HA       PHE 186  -9.694  -3.399  -6.511
  456    HB2  PHE 186           HB2      PHE 186 -10.277  -4.450  -4.322
  457    HB3  PHE 186           HB1      PHE 186  -9.717  -5.992  -4.951
  458    HD1  PHE 186           HD2      PHE 186  -8.658  -2.570  -4.082
  459    HD2  PHE 186           HD1      PHE 186  -7.440  -6.565  -4.891
  460    HE1  PHE 186           HE2      PHE 186  -6.397  -2.035  -3.300
  461    HE2  PHE 186           HE1      PHE 186  -5.172  -6.038  -4.108
  462    HZ   PHE 186           HZ       PHE 186  -4.644  -3.765  -3.308
  463    H    LYS 187           H        LYS 187 -10.292  -6.781  -7.289
  464    HA   LYS 187           HA       LYS 187  -7.710  -7.182  -8.482
  465    HB2  LYS 187           HB2      LYS 187 -10.226  -8.850  -8.647
  466    HB3  LYS 187           HB1      LYS 187  -8.630  -9.360  -9.180
  467    HG2  LYS 187           HG2      LYS 187  -7.796  -9.234  -6.915
  468    HG3  LYS 187           HG1      LYS 187  -9.353  -8.625  -6.352
  469    HD2  LYS 187           HD2      LYS 187 -10.412 -10.726  -7.071
  470    HD3  LYS 187           HD1      LYS 187  -8.835 -11.334  -7.578
  471    HE2  LYS 187           HE2      LYS 187  -8.024 -11.107  -5.269
  472    HE3  LYS 187           HE1      LYS 187  -9.617 -10.539  -4.775
  473    HZ1  LYS 187           HZ1      LYS 187 -10.550 -12.663  -5.382
  474    HZ2  LYS 187           HZ2      LYS 187  -9.270 -12.898  -4.302
  475    HZ3  LYS 187           HZ3      LYS 187  -9.048 -13.209  -5.951
  476    H    SER 188           H        SER 188  -9.979  -5.206  -9.518
  477    HA   SER 188           HA       SER 188  -9.463  -5.817 -12.350
  478    HB2  SER 188           HB2      SER 188 -12.070  -4.770 -11.225
  479    HB3  SER 188           HB1      SER 188 -11.730  -5.116 -12.920
  480    HG   SER 188           HG       SER 188 -11.158  -7.272 -11.430
  481    H    ILE 189           H        ILE 189  -8.485  -3.810 -10.148
  482    HA   ILE 189           HA       ILE 189  -9.242  -1.260 -11.264
  483    HB   ILE 189           HB       ILE 189  -7.125  -1.918  -9.207
  484   HG12  ILE 189          2HG1      ILE 189  -9.925  -0.806  -8.886
  485   HG13  ILE 189          1HG1      ILE 189  -9.412  -2.433  -8.458
  486   HG21  ILE 189          1HG2      ILE 189  -7.156   0.483  -8.695
  487   HG22  ILE 189          2HG2      ILE 189  -8.261   0.749 -10.042
  488   HG23  ILE 189          3HG2      ILE 189  -6.624   0.169 -10.347
  489   HD11  ILE 189          3HD1      ILE 189  -9.570  -1.025  -6.494
  490   HD12  ILE 189          1HD1      ILE 189  -8.425   0.116  -7.198
  491   HD13  ILE 189          2HD1      ILE 189  -7.899  -1.513  -6.776
  492    HA   PRO 190           HA       PRO 190  -5.920  -1.350 -14.306
  493    HB2  PRO 190           HB2      PRO 190  -6.625   0.956 -15.523
  494    HB3  PRO 190           HB1      PRO 190  -7.493  -0.558 -15.802
  495    HG2  PRO 190           HG2      PRO 190  -8.210   1.734 -14.015
  496    HG3  PRO 190           HG1      PRO 190  -9.250   0.798 -15.104
  497    HD2  PRO 190           HD2      PRO 190  -9.133   0.368 -12.422
  498    HD3  PRO 190           HD1      PRO 190  -9.499  -0.916 -13.592
  499    H    VAL 191           H        VAL 191  -3.890  -0.664 -13.868
  500    HA   VAL 191           HA       VAL 191  -3.536   1.930 -12.578
  501    HB   VAL 191           HB       VAL 191  -3.841   0.357 -10.740
  502   HG11  VAL 191          1HG1      VAL 191  -1.449  -1.087 -11.858
  503   HG12  VAL 191          2HG1      VAL 191  -3.107  -1.685 -11.811
  504   HG13  VAL 191          3HG1      VAL 191  -2.222  -1.421 -10.309
  505   HG21  VAL 191          3HG2      VAL 191  -1.005   1.321 -11.017
  506   HG22  VAL 191          1HG2      VAL 191  -1.779   0.831  -9.508
  507   HG23  VAL 191          2HG2      VAL 191  -2.374   2.240 -10.389
  508    H    ASN 192           H        ASN 192  -1.868   2.989 -13.335
  509    HA   ASN 192           HA       ASN 192   0.126   1.585 -14.972
  510    HB2  ASN 192           HB2      ASN 192  -0.941   3.454 -16.079
  511    HB3  ASN 192           HB1      ASN 192  -0.597   4.516 -14.719
  512   HD21  ASN 192          1HD2      ASN 192   0.480   5.978 -15.999
  513   HD22  ASN 192          2HD2      ASN 192   2.054   5.671 -16.661
  514    H    GLU 193           H        GLU 193   2.166   1.322 -14.307
  515    HA   GLU 193           HA       GLU 193   2.886   1.576 -11.640
  516    HB2  GLU 193           HB2      GLU 193   3.972   0.021 -13.150
  517    HB3  GLU 193           HB1      GLU 193   4.643   1.345 -14.088
  518    HG2  GLU 193           HG2      GLU 193   5.970   2.024 -12.130
  519    HG3  GLU 193           HG1      GLU 193   5.335   0.637 -11.246
  520    H    LYS 194           H        LYS 194   4.160   3.535 -14.337
  521    HA   LYS 194           HA       LYS 194   5.818   5.174 -12.837
  522    HB2  LYS 194           HB2      LYS 194   5.912   5.010 -15.272
  523    HB3  LYS 194           HB1      LYS 194   4.359   5.823 -15.401
  524    HG2  LYS 194           HG2      LYS 194   6.071   7.394 -15.906
  525    HG3  LYS 194           HG1      LYS 194   5.383   7.820 -14.338
  526    HD2  LYS 194           HD2      LYS 194   7.265   6.772 -13.206
  527    HD3  LYS 194           HD1      LYS 194   7.937   6.264 -14.756
  528    HE2  LYS 194           HE2      LYS 194   7.549   9.099 -13.806
  529    HE3  LYS 194           HE1      LYS 194   9.083   8.245 -13.956
  530    HZ1  LYS 194           HZ1      LYS 194   8.755   9.685 -15.833
  531    HZ2  LYS 194           HZ2      LYS 194   7.255   8.983 -16.177
  532    HZ3  LYS 194           HZ3      LYS 194   8.679   8.076 -16.355
  533    H    ASP 195           H        ASP 195   2.561   5.978 -14.041
  534    HA   ASP 195           HA       ASP 195   2.415   8.502 -12.844
  535    HB2  ASP 195           HB2      ASP 195   0.904   8.006 -14.609
  536    HB3  ASP 195           HB1      ASP 195   0.278   6.592 -13.771
  537    H    THR 196           H        THR 196   1.326   5.342 -11.678
  538    HA   THR 196           HA       THR 196  -0.057   6.325  -9.423
  539    HB   THR 196           HB       THR 196   1.098   3.586  -9.949
  540    HG1  THR 196           HG1      THR 196  -0.468   3.717 -11.380
  541   HG21  THR 196          3HG2      THR 196  -0.980   4.446  -7.924
  542   HG22  THR 196          1HG2      THR 196   0.666   3.930  -7.552
  543   HG23  THR 196          2HG2      THR 196  -0.478   2.787  -8.256
  544    H    LEU 197           H        LEU 197   3.269   5.088  -9.814
  545    HA   LEU 197           HA       LEU 197   4.015   5.285  -7.111
  546    HB2  LEU 197           HB2      LEU 197   5.678   5.670  -9.604
  547    HB3  LEU 197           HB1      LEU 197   6.344   5.568  -7.985
  548    HG   LEU 197           HG       LEU 197   4.924   3.388  -9.509
  549   HD11  LEU 197          1HD1      LEU 197   7.219   3.708 -10.178
  550   HD12  LEU 197          2HD1      LEU 197   7.083   2.227  -9.226
  551   HD13  LEU 197          3HD1      LEU 197   7.745   3.690  -8.493
  552   HD21  LEU 197          3HD2      LEU 197   5.940   3.355  -6.669
  553   HD22  LEU 197          1HD2      LEU 197   5.315   1.968  -7.561
  554   HD23  LEU 197          2HD2      LEU 197   4.248   3.316  -7.164
  555    H    THR 198           H        THR 198   4.141   7.619  -9.755
  556    HA   THR 198           HA       THR 198   5.330   9.729  -8.347
  557    HB   THR 198           HB       THR 198   3.374   9.968 -10.643
  558    HG1  THR 198           HG1      THR 198   4.958   8.651 -11.406
  559   HG21  THR 198          3HG2      THR 198   5.633  11.768  -9.748
  560   HG22  THR 198          1HG2      THR 198   3.913  12.097  -9.540
  561   HG23  THR 198          2HG2      THR 198   4.606  12.017 -11.159
  562    H    CYS 199           H        CYS 199   1.917   8.851  -8.774
  563    HA   CYS 199           HA       CYS 199   0.803  11.090  -7.484
  564    HB2  CYS 199           HB2      CYS 199  -0.282   8.267  -7.648
  565    HB3  CYS 199           HB1      CYS 199  -1.206   9.690  -7.179
  566    HG   CYS 199           HG       CYS 199   0.045   8.955 -10.269
  567    H    PHE 200           H        PHE 200   1.574   7.854  -6.221
  568    HA   PHE 200           HA       PHE 200   0.727   8.294  -3.599
  569    HB2  PHE 200           HB2      PHE 200   1.183   6.055  -4.349
  570    HB3  PHE 200           HB1      PHE 200   2.869   6.455  -4.676
  571    HD1  PHE 200           HD1      PHE 200   0.411   6.375  -1.875
  572    HD2  PHE 200           HD2      PHE 200   4.466   5.961  -3.100
  573    HE1  PHE 200           HE1      PHE 200   1.025   5.668   0.402
  574    HE2  PHE 200           HE2      PHE 200   5.085   5.258  -0.828
  575    HZ   PHE 200           HZ       PHE 200   3.365   5.111   0.928
  576    H    ILE 201           H        ILE 201   4.048   8.451  -4.892
  577    HA   ILE 201           HA       ILE 201   5.312   9.208  -2.545
  578    HB   ILE 201           HB       ILE 201   6.067   9.991  -5.366
  579   HG12  ILE 201          2HG1      ILE 201   7.024   7.682  -3.658
  580   HG13  ILE 201          1HG1      ILE 201   5.869   7.546  -4.979
  581   HG21  ILE 201          1HG2      ILE 201   8.336  10.279  -4.476
  582   HG22  ILE 201          2HG2      ILE 201   7.733   9.962  -2.849
  583   HG23  ILE 201          3HG2      ILE 201   7.193  11.392  -3.727
  584   HD11  ILE 201          3HD1      ILE 201   7.598   8.341  -6.537
  585   HD12  ILE 201          1HD1      ILE 201   8.054   6.848  -5.713
  586   HD13  ILE 201          2HD1      ILE 201   8.749   8.388  -5.202
  587    H    TYR 202           H        TYR 202   4.148  11.300  -5.174
  588    HA   TYR 202           HA       TYR 202   4.974  13.735  -4.112
  589    HB2  TYR 202           HB2      TYR 202   4.123  13.207  -6.456
  590    HB3  TYR 202           HB1      TYR 202   2.499  13.336  -5.796
  591    HD1  TYR 202           HD2      TYR 202   5.577  15.194  -6.582
  592    HD2  TYR 202           HD1      TYR 202   1.521  15.477  -5.333
  593    HE1  TYR 202           HE2      TYR 202   5.623  17.614  -7.003
  594    HE2  TYR 202           HE1      TYR 202   1.557  17.900  -5.751
  595    HH   TYR 202           HH       TYR 202   3.943  19.419  -7.543
  596    H    SER 203           H        SER 203   1.948  11.957  -3.639
  597    HA   SER 203           HA       SER 203   0.624  14.007  -2.215
  598    HB2  SER 203           HB2      SER 203   0.139  11.020  -2.149
  599    HB3  SER 203           HB1      SER 203  -0.969  12.259  -1.554
  600    HG   SER 203           HG       SER 203  -0.467  11.434  -4.130
  601    H    VAL 204           H        VAL 204   2.440  11.139  -1.090
  602    HA   VAL 204           HA       VAL 204   1.930  11.672   1.665
  603    HB   VAL 204           HB       VAL 204   4.205   9.999   0.588
  604   HG11  VAL 204          1HG1      VAL 204   4.327  10.353   2.971
  605   HG12  VAL 204          2HG1      VAL 204   3.812   8.692   2.661
  606   HG13  VAL 204          3HG1      VAL 204   2.632   9.905   3.160
  607   HG21  VAL 204          3HG2      VAL 204   1.328   9.222   1.005
  608   HG22  VAL 204          1HG2      VAL 204   2.647   8.097   0.677
  609   HG23  VAL 204          2HG2      VAL 204   2.191   9.298  -0.532
  610    H    ARG 205           H        ARG 205   4.290  12.781  -0.615
  611    HA   ARG 205           HA       ARG 205   6.164  13.850   1.247
  612    HB2  ARG 205           HB2      ARG 205   5.522  14.664  -1.596
  613    HB3  ARG 205           HB1      ARG 205   6.869  15.303  -0.666
  614    HG2  ARG 205           HG2      ARG 205   6.492  12.414  -1.422
  615    HG3  ARG 205           HG1      ARG 205   7.540  13.561  -2.253
  616    HD2  ARG 205           HD2      ARG 205   7.792  12.673   0.615
  617    HD3  ARG 205           HD1      ARG 205   8.809  12.156  -0.727
  618    HE   ARG 205           HE       ARG 205   8.683  14.974   0.136
  619   HH11  ARG 205          1HH1      ARG 205  10.538  12.086  -0.663
  620   HH12  ARG 205          2HH1      ARG 205  12.064  12.901  -0.515
  621   HH21  ARG 205          1HH2      ARG 205  10.703  16.013   0.330
  622   HH22  ARG 205          2HH2      ARG 205  12.165  15.112   0.055
  623    H    ASN 206           H        ASN 206   3.081  14.865   0.045
  624    HA   ASN 206           HA       ASN 206   3.409  17.590   1.047
  625    HB2  ASN 206           HB2      ASN 206   1.261  16.245  -0.590
  626    HB3  ASN 206           HB1      ASN 206   1.053  17.855   0.091
  627   HD21  ASN 206          1HD2      ASN 206   1.192  16.910  -2.695
  628   HD22  ASN 206          2HD2      ASN 206   2.451  17.846  -3.424
  629    H    ASP 207           H        ASP 207   0.822  15.143   1.269
  630    HA   ASP 207           HA       ASP 207   0.717  15.592   4.137
  631    HB2  ASP 207           HB2      ASP 207  -1.584  16.069   4.259
  632    HB3  ASP 207           HB1      ASP 207  -0.996  17.090   2.953
  633    H    LYS 208           H        LYS 208   0.444  13.800   5.219
  634    HA   LYS 208           HA       LYS 208   0.348  11.321   3.757
  635    HB2  LYS 208           HB2      LYS 208   0.599  11.837   6.720
  636    HB3  LYS 208           HB1      LYS 208   0.838  10.288   5.930
  637    HG2  LYS 208           HG2      LYS 208   2.779  11.113   4.774
  638    HG3  LYS 208           HG1      LYS 208   2.492  12.745   5.383
  639    HD2  LYS 208           HD2      LYS 208   2.889  12.006   7.650
  640    HD3  LYS 208           HD1      LYS 208   3.064  10.336   7.107
  641    HE2  LYS 208           HE2      LYS 208   5.248  11.285   7.493
  642    HE3  LYS 208           HE1      LYS 208   5.025  11.013   5.768
  643    HZ1  LYS 208           HZ1      LYS 208   4.578  13.647   7.064
  644    HZ2  LYS 208           HZ2      LYS 208   4.697  13.315   5.409
  645    HZ3  LYS 208           HZ3      LYS 208   6.066  13.178   6.396
  646    H    ASN 209           H        ASN 209  -1.984  12.287   3.220
  647    HA   ASN 209           HA       ASN 209  -4.218  11.899   3.224
  648    HB2  ASN 209           HB2      ASN 209  -3.415   9.504   3.356
  649    HB3  ASN 209           HB1      ASN 209  -3.668   9.588   5.095
  650   HD21  ASN 209          1HD2      ASN 209  -5.162   9.386   1.988
  651   HD22  ASN 209          2HD2      ASN 209  -6.768   9.093   2.551
  652    H    LYS 210           H        LYS 210  -4.273  13.936   4.421
  653    HA   LYS 210           HA       LYS 210  -4.933  13.647   7.268
  654    HB2  LYS 210           HB2      LYS 210  -4.317  16.124   5.644
  655    HB3  LYS 210           HB1      LYS 210  -4.650  16.098   7.370
  656    HG2  LYS 210           HG2      LYS 210  -2.668  14.765   7.766
  657    HG3  LYS 210           HG1      LYS 210  -2.346  14.699   6.033
  658    HD2  LYS 210           HD2      LYS 210  -2.100  17.146   6.006
  659    HD3  LYS 210           HD1      LYS 210  -2.380  17.180   7.749
  660    HE2  LYS 210           HE2      LYS 210  -0.393  15.827   8.111
  661    HE3  LYS 210           HE1      LYS 210  -0.132  15.716   6.372
  662    HZ1  LYS 210           HZ1      LYS 210  -0.069  18.216   7.976
  663    HZ2  LYS 210           HZ2      LYS 210   0.179  18.111   6.299
  664    HZ3  LYS 210           HZ3      LYS 210   1.285  17.393   7.365
  665    H    SER 211           H        SER 211  -6.507  13.556   4.443
  666    HA   SER 211           HA       SER 211  -8.640  15.355   4.712
  667    HB2  SER 211           HB2      SER 211  -8.077  14.053   2.644
  668    HB3  SER 211           HB1      SER 211  -8.725  12.613   3.423
  669    HG   SER 211           HG       SER 211 -10.022  14.727   2.247
  670    H    ASP 212           H        ASP 212  -8.108  12.145   6.041
  671    HA   ASP 212           HA       ASP 212 -10.705  12.316   7.418
  672    HB2  ASP 212           HB2      ASP 212 -10.424  10.354   5.922
  673    HB3  ASP 212           HB1      ASP 212  -9.035   9.851   6.883
  674    H    LEU 213           H        LEU 213  -7.445  10.976   7.905
  675    HA   LEU 213           HA       LEU 213  -7.807  10.903  10.745
  676    HB2  LEU 213           HB2      LEU 213  -6.480   9.215   9.534
  677    HB3  LEU 213           HB1      LEU 213  -5.318  10.455   9.104
  678    HG   LEU 213           HG       LEU 213  -4.769  10.776  11.477
  679   HD11  LEU 213          1HD1      LEU 213  -6.643   8.464  11.964
  680   HD12  LEU 213          2HD1      LEU 213  -6.935  10.141  12.430
  681   HD13  LEU 213          3HD1      LEU 213  -5.607   9.241  13.163
  682   HD21  LEU 213          3HD2      LEU 213  -3.630   8.636  11.824
  683   HD22  LEU 213          1HD2      LEU 213  -3.463   9.209  10.164
  684   HD23  LEU 213          2HD2      LEU 213  -4.604   7.918  10.541
  685    H    LYS 214           H        LYS 214  -7.634  12.596  12.007
  686    HA   LYS 214           HA       LYS 214  -5.815  14.773  11.217
  687    HB2  LYS 214           HB2      LYS 214  -8.258  15.315  11.472
  688    HB3  LYS 214           HB1      LYS 214  -8.114  14.906  13.175
  689    HG2  LYS 214           HG2      LYS 214  -8.001  17.283  12.935
  690    HG3  LYS 214           HG1      LYS 214  -6.408  16.688  13.411
  691    HD2  LYS 214           HD2      LYS 214  -5.627  16.842  11.127
  692    HD3  LYS 214           HD1      LYS 214  -7.236  17.317  10.579
  693    HE2  LYS 214           HE2      LYS 214  -5.855  19.276  10.729
  694    HE3  LYS 214           HE1      LYS 214  -7.075  19.338  11.999
  695    HZ1  LYS 214           HZ1      LYS 214  -5.069  19.979  12.993
  696    HZ2  LYS 214           HZ2      LYS 214  -4.190  18.732  12.265
  697    HZ3  LYS 214           HZ3      LYS 214  -5.299  18.378  13.497
  698    H    ALA 215           H        ALA 215  -4.010  14.932  12.307
  699    HA   ALA 215           HA       ALA 215  -2.442  14.872  13.938
  700    HB1  ALA 215           HB1      ALA 215  -4.083  16.150  15.253
  701    HB2  ALA 215           HB2      ALA 215  -3.082  15.101  16.257
  702    HB3  ALA 215           HB3      ALA 215  -4.739  14.635  15.876
  703    H    ASP 216           H        ASP 216  -1.541  12.956  13.270
  704    HA   ASP 216           HA       ASP 216  -2.496  10.440  14.346
  705    HB2  ASP 216           HB2      ASP 216  -1.628  10.548  12.036
  706    HB3  ASP 216           HB1      ASP 216  -0.058  11.050  12.656
  707    H    SER 217           H        SER 217  -1.825   9.586  16.183
  708    HA   SER 217           HA       SER 217  -0.656   9.165  18.080
  709    HB2  SER 217           HB2      SER 217   1.733   9.952  16.393
  710    HB3  SER 217           HB1      SER 217   1.778   9.010  17.884
  711    HG   SER 217           HG       SER 217   0.701   8.289  15.357
  712    H    GLY 218           H        GLY 218  -1.890  11.447  18.356
  713    HA2  GLY 218           HA2      GLY 218  -0.144  13.685  18.841
  714    HA3  GLY 218           HA1      GLY 218  -1.857  13.590  19.230
  715    H    VAL 219           H        VAL 219  -1.184  10.967  20.636
  716    HA   VAL 219           HA       VAL 219  -1.008  11.994  23.252
  717    HB   VAL 219           HB       VAL 219  -0.705   9.642  23.984
  718   HG11  VAL 219          1HG1      VAL 219  -2.858   9.992  21.901
  719   HG12  VAL 219          2HG1      VAL 219  -2.938  10.573  23.564
  720   HG13  VAL 219          3HG1      VAL 219  -2.869   8.841  23.237
  721   HG21  VAL 219          3HG2      VAL 219   0.670   8.886  22.072
  722   HG22  VAL 219          1HG2      VAL 219  -0.760   8.962  21.043
  723   HG23  VAL 219          2HG2      VAL 219  -0.703   7.828  22.390
  724    H    HIS 220           H        HIS 220   0.666  12.362  24.587
  725    HA   HIS 220           HA       HIS 220   3.308  11.332  24.018
  726    HB2  HIS 220           HB2      HIS 220   3.191  13.333  22.571
  727    HB3  HIS 220           HB1      HIS 220   2.768  14.314  23.969
  728    HD1  HIS 220           HD1      HIS 220   4.654  15.115  25.457
  729    HD2  HIS 220           HD2      HIS 220   5.904  12.437  22.530
  730    HE1  HIS 220           HE1      HIS 220   7.169  15.201  25.486
  731    HE2  HIS 220           HE2      HIS 220   7.897  13.429  23.851
  732    H1   SER 454           HT1      SER 454  33.260   7.443   2.633
  733    H2   SER 454           HT2      SER 454  34.028   6.344   3.672
  734    H3   SER 454           HT3      SER 454  34.239   8.011   3.895
  735    HA   SER 454           HA       SER 454  32.717   7.106   5.521
  736    HB2  SER 454           HB2      SER 454  31.350   8.863   3.460
  737    HB3  SER 454           HB1      SER 454  30.934   8.736   5.169
  738    HG   SER 454           HG       SER 454  32.269  10.571   4.630
  739    H    ASN 455           H        ASN 455  30.119   6.819   5.542
  740    HA   ASN 455           HA       ASN 455  29.623   4.311   4.244
  741    HB2  ASN 455           HB2      ASN 455  28.749   4.711   6.478
  742    HB3  ASN 455           HB1      ASN 455  27.837   6.103   5.904
  743   HD21  ASN 455          1HD2      ASN 455  28.092   2.625   5.852
  744   HD22  ASN 455          2HD2      ASN 455  26.461   2.322   5.347
  745    H    ALA 456           H        ALA 456  28.362   7.602   3.957
  746    HA   ALA 456           HA       ALA 456  26.974   6.822   1.492
  747    HB1  ALA 456           HB1      ALA 456  25.741   8.889   1.696
  748    HB2  ALA 456           HB2      ALA 456  26.747   9.389   3.054
  749    HB3  ALA 456           HB3      ALA 456  25.667   8.005   3.221
  750    H    SER 457           H        SER 457  28.465   6.825  -0.087
  751    HA   SER 457           HA       SER 457  30.398   8.963  -0.349
  752    HB2  SER 457           HB2      SER 457  29.779   6.666  -2.226
  753    HB3  SER 457           HB1      SER 457  31.196   7.713  -2.289
  754    HG   SER 457           HG       SER 457  31.986   6.118  -1.126
  755    H    LYS 458           H        LYS 458  27.348   7.975  -1.746
  756    HA   LYS 458           HA       LYS 458  27.332  10.455  -3.331
  757    HB2  LYS 458           HB2      LYS 458  26.157   9.318  -5.133
  758    HB3  LYS 458           HB1      LYS 458  27.688   8.513  -4.825
  759    HG2  LYS 458           HG2      LYS 458  26.538   6.760  -3.590
  760    HG3  LYS 458           HG1      LYS 458  24.995   7.582  -3.842
  761    HD2  LYS 458           HD2      LYS 458  25.159   5.821  -5.450
  762    HD3  LYS 458           HD1      LYS 458  25.371   7.348  -6.305
  763    HE2  LYS 458           HE2      LYS 458  27.002   5.826  -7.142
  764    HE3  LYS 458           HE1      LYS 458  27.843   7.002  -6.133
  765    HZ1  LYS 458           HZ1      LYS 458  27.842   5.380  -4.323
  766    HZ2  LYS 458           HZ2      LYS 458  28.633   4.774  -5.690
  767    HZ3  LYS 458           HZ3      LYS 458  27.062   4.253  -5.317
  768    H    HIS 459           H        HIS 459  25.182  11.307  -3.732
  769    HA   HIS 459           HA       HIS 459  23.102  10.224  -1.964
  770    HB2  HIS 459           HB2      HIS 459  24.323  12.198  -0.911
  771    HB3  HIS 459           HB1      HIS 459  23.635  13.187  -2.195
  772    HD1  HIS 459           HD1      HIS 459  21.329  14.083  -1.809
  773    HD2  HIS 459           HD2      HIS 459  22.292  10.979   0.788
  774    HE1  HIS 459           HE1      HIS 459  19.437  13.964  -0.156
  775    HE2  HIS 459           HE2      HIS 459  20.106  12.170   1.482
  776    H    GLY 460           H        GLY 460  21.167  10.075  -2.922
  777    HA2  GLY 460           HA2      GLY 460  20.992  11.111  -5.662
  778    HA3  GLY 460           HA1      GLY 460  20.015   9.819  -4.982
  779    H    VAL 461           H        VAL 461  18.208  10.941  -5.911
  780    HA   VAL 461           HA       VAL 461  17.481  13.525  -4.835
  781    HB   VAL 461           HB       VAL 461  16.856  12.936  -7.138
  782   HG11  VAL 461          1HG1      VAL 461  15.052  11.320  -7.568
  783   HG12  VAL 461          2HG1      VAL 461  15.095  10.844  -5.870
  784   HG13  VAL 461          3HG1      VAL 461  16.498  10.559  -6.901
  785   HG21  VAL 461          3HG2      VAL 461  14.496  13.628  -7.054
  786   HG22  VAL 461          1HG2      VAL 461  15.519  14.592  -5.987
  787   HG23  VAL 461          2HG2      VAL 461  14.487  13.331  -5.314
  788    H    GLY 462           H        GLY 462  16.787  10.174  -4.171
  789    HA2  GLY 462           HA2      GLY 462  15.806  10.667  -1.593
  790    HA3  GLY 462           HA1      GLY 462  14.433  10.469  -2.675
  791    H    THR 463           H        THR 463  14.747   8.721  -0.631
  792    HA   THR 463           HA       THR 463  16.094   6.360  -1.679
  793    HB   THR 463           HB       THR 463  16.472   6.760   0.652
  794    HG1  THR 463           HG1      THR 463  15.107   4.536  -0.187
  795   HG21  THR 463          3HG2      THR 463  14.511   8.135   1.138
  796   HG22  THR 463          1HG2      THR 463  14.676   6.829   2.311
  797   HG23  THR 463          2HG2      THR 463  13.478   6.713   1.024
  798    H    GLU 464           H        GLU 464  13.193   7.779  -2.173
  799    HA   GLU 464           HA       GLU 464  11.299   5.750  -1.883
  800    HB2  GLU 464           HB2      GLU 464  11.452   8.031  -3.855
  801    HB3  GLU 464           HB1      GLU 464  10.066   6.960  -3.742
  802    HG2  GLU 464           HG2      GLU 464   9.391   8.728  -2.456
  803    HG3  GLU 464           HG1      GLU 464  10.062   7.647  -1.239
  804    H    SER 465           H        SER 465  13.130   6.615  -4.839
  805    HA   SER 465           HA       SER 465  12.184   4.536  -6.438
  806    HB2  SER 465           HB2      SER 465  14.876   5.919  -6.523
  807    HB3  SER 465           HB1      SER 465  14.206   4.925  -7.817
  808    HG   SER 465           HG       SER 465  12.499   6.399  -8.006
  809    H    LEU 466           H        LEU 466  14.720   4.574  -4.048
  810    HA   LEU 466           HA       LEU 466  15.893   2.072  -4.618
  811    HB2  LEU 466           HB2      LEU 466  16.881   3.829  -3.175
  812    HB3  LEU 466           HB1      LEU 466  15.640   3.520  -1.978
  813    HG   LEU 466           HG       LEU 466  17.473   1.304  -2.825
  814   HD11  LEU 466          1HD1      LEU 466  18.945   3.159  -2.263
  815   HD12  LEU 466          2HD1      LEU 466  18.980   1.938  -0.990
  816   HD13  LEU 466          3HD1      LEU 466  18.061   3.426  -0.761
  817   HD21  LEU 466          3HD2      LEU 466  16.036   1.976  -0.263
  818   HD22  LEU 466          1HD2      LEU 466  17.023   0.540  -0.548
  819   HD23  LEU 466          2HD2      LEU 466  15.530   0.780  -1.458
  820    H    PHE 467           H        PHE 467  13.351   3.024  -2.335
  821    HA   PHE 467           HA       PHE 467  12.701   0.511  -1.336
  822    HB2  PHE 467           HB2      PHE 467  11.816   2.470  -0.291
  823    HB3  PHE 467           HB1      PHE 467  11.023   2.981  -1.774
  824    HD1  PHE 467           HD1      PHE 467  10.998   0.278   0.777
  825    HD2  PHE 467           HD2      PHE 467   8.801   2.454  -2.143
  826    HE1  PHE 467           HE1      PHE 467   8.928  -0.820   1.521
  827    HE2  PHE 467           HE2      PHE 467   6.726   1.361  -1.403
  828    HZ   PHE 467           HZ       PHE 467   6.788  -0.279   0.431
  829    H    PHE 468           H        PHE 468  11.156   2.259  -4.037
  830    HA   PHE 468           HA       PHE 468   9.274   0.239  -4.553
  831    HB2  PHE 468           HB2      PHE 468  10.261   2.504  -6.279
  832    HB3  PHE 468           HB1      PHE 468   8.936   1.436  -6.742
  833    HD1  PHE 468           HD1      PHE 468   7.036   1.188  -4.945
  834    HD2  PHE 468           HD2      PHE 468   9.768   4.442  -5.133
  835    HE1  PHE 468           HE1      PHE 468   5.458   2.577  -3.666
  836    HE2  PHE 468           HE2      PHE 468   8.197   5.837  -3.853
  837    HZ   PHE 468           HZ       PHE 468   6.040   4.908  -3.119
  838    H    ASP 469           H        ASP 469  12.521   0.741  -5.835
  839    HA   ASP 469           HA       ASP 469  12.321  -1.213  -7.877
  840    HB2  ASP 469           HB2      ASP 469  14.156   0.439  -7.818
  841    HB3  ASP 469           HB1      ASP 469  14.795  -0.333  -6.369
  842    H    LYS 470           H        LYS 470  13.430  -1.363  -4.504
  843    HA   LYS 470           HA       LYS 470  14.033  -4.109  -4.481
  844    HB2  LYS 470           HB2      LYS 470  13.191  -2.235  -2.272
  845    HB3  LYS 470           HB1      LYS 470  13.601  -3.920  -1.981
  846    HG2  LYS 470           HG2      LYS 470  15.834  -3.492  -2.972
  847    HG3  LYS 470           HG1      LYS 470  15.404  -1.782  -3.087
  848    HD2  LYS 470           HD2      LYS 470  15.117  -1.667  -0.678
  849    HD3  LYS 470           HD1      LYS 470  15.453  -3.394  -0.534
  850    HE2  LYS 470           HE2      LYS 470  17.708  -3.027  -1.399
  851    HE3  LYS 470           HE1      LYS 470  17.369  -1.305  -1.566
  852    HZ1  LYS 470           HZ1      LYS 470  17.425  -2.835   0.982
  853    HZ2  LYS 470           HZ2      LYS 470  17.043  -1.192   0.843
  854    HZ3  LYS 470           HZ3      LYS 470  18.601  -1.737   0.449
  855    H    VAL 471           H        VAL 471  11.011  -2.379  -3.760
  856    HA   VAL 471           HA       VAL 471   9.456  -4.584  -3.009
  857    HB   VAL 471           HB       VAL 471   8.571  -2.098  -4.492
  858   HG11  VAL 471          1HG1      VAL 471   6.900  -3.848  -4.686
  859   HG12  VAL 471          2HG1      VAL 471   6.337  -2.586  -3.590
  860   HG13  VAL 471          3HG1      VAL 471   6.943  -4.112  -2.943
  861   HG21  VAL 471          3HG2      VAL 471   9.660  -1.596  -2.378
  862   HG22  VAL 471          1HG2      VAL 471   8.594  -2.728  -1.546
  863   HG23  VAL 471          2HG2      VAL 471   7.930  -1.270  -2.285
  864    H    ARG 472           H        ARG 472   9.979  -3.150  -6.202
  865    HA   ARG 472           HA       ARG 472   8.282  -4.798  -7.689
  866    HB2  ARG 472           HB2      ARG 472   9.712  -2.634  -8.253
  867    HB3  ARG 472           HB1      ARG 472  10.863  -3.822  -8.843
  868    HG2  ARG 472           HG2      ARG 472   8.003  -3.716  -9.754
  869    HG3  ARG 472           HG1      ARG 472   9.307  -2.838 -10.552
  870    HD2  ARG 472           HD2      ARG 472  10.480  -5.026 -10.842
  871    HD3  ARG 472           HD1      ARG 472   9.029  -5.819 -10.228
  872    HE   ARG 472           HE       ARG 472   7.918  -4.527 -12.184
  873   HH11  ARG 472          1HH1      ARG 472  11.106  -5.994 -12.194
  874   HH12  ARG 472          2HH1      ARG 472  11.111  -6.259 -13.918
  875   HH21  ARG 472          1HH2      ARG 472   7.933  -4.867 -14.444
  876   HH22  ARG 472          2HH2      ARG 472   9.301  -5.631 -15.187
  877    H    LYS 473           H        LYS 473  11.637  -5.201  -6.703
  878    HA   LYS 473           HA       LYS 473  12.059  -7.606  -8.210
  879    HB2  LYS 473           HB2      LYS 473  13.898  -6.084  -7.678
  880    HB3  LYS 473           HB1      LYS 473  13.644  -6.350  -5.960
  881    HG2  LYS 473           HG2      LYS 473  14.245  -8.723  -6.273
  882    HG3  LYS 473           HG1      LYS 473  14.576  -8.385  -7.976
  883    HD2  LYS 473           HD2      LYS 473  16.255  -6.710  -7.274
  884    HD3  LYS 473           HD1      LYS 473  15.967  -7.162  -5.593
  885    HE2  LYS 473           HE2      LYS 473  16.679  -9.451  -6.098
  886    HE3  LYS 473           HE1      LYS 473  16.980  -8.983  -7.771
  887    HZ1  LYS 473           HZ1      LYS 473  19.031  -8.965  -6.567
  888    HZ2  LYS 473           HZ2      LYS 473  18.386  -7.963  -5.363
  889    HZ3  LYS 473           HZ3      LYS 473  18.619  -7.362  -6.931
  890    H    ALA 474           H        ALA 474  11.302  -6.815  -4.861
  891    HA   ALA 474           HA       ALA 474  11.732  -9.421  -3.821
  892    HB1  ALA 474           HB1      ALA 474  11.887  -7.423  -2.436
  893    HB2  ALA 474           HB2      ALA 474  10.695  -8.551  -1.787
  894    HB3  ALA 474           HB3      ALA 474  10.165  -7.118  -2.668
  895    H    LEU 475           H        LEU 475   8.788  -7.642  -4.724
  896    HA   LEU 475           HA       LEU 475   7.027  -9.725  -3.925
  897    HB2  LEU 475           HB2      LEU 475   6.752  -7.198  -5.477
  898    HB3  LEU 475           HB1      LEU 475   5.481  -8.394  -5.631
  899    HG   LEU 475           HG       LEU 475   5.041  -8.303  -3.243
  900   HD11  LEU 475          1HD1      LEU 475   7.310  -6.318  -3.146
  901   HD12  LEU 475          2HD1      LEU 475   7.256  -7.908  -2.377
  902   HD13  LEU 475          3HD1      LEU 475   6.179  -6.623  -1.828
  903   HD21  LEU 475          3HD2      LEU 475   5.207  -5.542  -4.450
  904   HD22  LEU 475          1HD2      LEU 475   4.183  -6.028  -3.099
  905   HD23  LEU 475          2HD2      LEU 475   3.902  -6.702  -4.704
  906    H    ARG 476           H        ARG 476   8.740  -8.977  -6.850
  907    HA   ARG 476           HA       ARG 476   9.298 -10.256  -8.636
  908    HB2  ARG 476           HB2      ARG 476   9.477 -12.112  -7.014
  909    HB3  ARG 476           HB1      ARG 476   7.770 -12.471  -7.248
  910    HG2  ARG 476           HG2      ARG 476   8.235 -12.932  -9.631
  911    HG3  ARG 476           HG1      ARG 476   9.955 -12.679  -9.313
  912    HD2  ARG 476           HD2      ARG 476   9.799 -14.459  -7.567
  913    HD3  ARG 476           HD1      ARG 476   8.159 -14.778  -8.122
  914    HE   ARG 476           HE       ARG 476   9.764 -14.951 -10.362
  915   HH11  ARG 476          1HH1      ARG 476   9.411 -16.575  -7.287
  916   HH12  ARG 476          2HH1      ARG 476  10.129 -18.062  -7.831
  917   HH21  ARG 476          1HH2      ARG 476  10.691 -16.904 -11.106
  918   HH22  ARG 476          2HH2      ARG 476  10.854 -18.252 -10.014
  919    H    SER 477           H        SER 477   6.010 -11.194  -7.691
  920    HA   SER 477           HA       SER 477   5.100 -11.542 -10.346
  921    HB2  SER 477           HB2      SER 477   3.982 -12.738  -8.619
  922    HB3  SER 477           HB1      SER 477   3.687 -11.270  -7.689
  923    HG   SER 477           HG       SER 477   2.252 -12.369  -9.746
  924    H    ALA 478           H        ALA 478   4.415 -10.115 -11.778
  925    HA   ALA 478           HA       ALA 478   4.366  -7.327 -11.240
  926    HB1  ALA 478           HB1      ALA 478   3.259  -8.860 -13.596
  927    HB2  ALA 478           HB2      ALA 478   4.884  -8.188 -13.462
  928    HB3  ALA 478           HB3      ALA 478   3.488  -7.112 -13.523
  929    H    GLU 479           H        GLU 479   2.063  -9.875 -11.001
  930    HA   GLU 479           HA       GLU 479  -0.276  -8.221 -10.982
  931    HB2  GLU 479           HB2      GLU 479   0.099 -11.006  -9.855
  932    HB3  GLU 479           HB1      GLU 479  -1.438 -10.207 -10.137
  933    HG2  GLU 479           HG2      GLU 479  -1.200 -11.684 -11.919
  934    HG3  GLU 479           HG1      GLU 479  -0.762 -10.112 -12.586
  935    H    ALA 480           H        ALA 480   1.842  -9.658  -8.546
  936    HA   ALA 480           HA       ALA 480   0.442  -8.682  -6.283
  937    HB1  ALA 480           HB1      ALA 480   3.371  -9.368  -6.538
  938    HB2  ALA 480           HB2      ALA 480   2.079 -10.502  -6.138
  939    HB3  ALA 480           HB3      ALA 480   2.469  -9.183  -5.032
  940    H    TYR 481           H        TYR 481   3.160  -7.418  -8.178
  941    HA   TYR 481           HA       TYR 481   3.485  -5.046  -6.676
  942    HB2  TYR 481           HB2      TYR 481   5.155  -5.953  -8.305
  943    HB3  TYR 481           HB1      TYR 481   4.090  -5.452  -9.614
  944    HD1  TYR 481           HD2      TYR 481   5.979  -4.121  -6.695
  945    HD2  TYR 481           HD1      TYR 481   4.231  -3.289 -10.484
  946    HE1  TYR 481           HE2      TYR 481   7.000  -1.884  -6.669
  947    HE2  TYR 481           HE1      TYR 481   5.245  -1.051 -10.464
  948    HH   TYR 481           HH       TYR 481   6.109   0.571  -8.836
  949    H    GLU 482           H        GLU 482   1.367  -5.960  -9.311
  950    HA   GLU 482           HA       GLU 482   0.281  -3.415  -9.852
  951    HB2  GLU 482           HB2      GLU 482  -0.010  -5.533 -11.233
  952    HB3  GLU 482           HB1      GLU 482  -1.205  -6.043 -10.047
  953    HG2  GLU 482           HG2      GLU 482  -2.554  -4.082 -10.553
  954    HG3  GLU 482           HG1      GLU 482  -1.347  -3.544 -11.718
  955    H    ASN 483           H        ASN 483  -0.684  -6.005  -7.623
  956    HA   ASN 483           HA       ASN 483  -2.894  -4.791  -6.448
  957    HB2  ASN 483           HB2      ASN 483  -2.820  -6.821  -5.486
  958    HB3  ASN 483           HB1      ASN 483  -1.098  -6.987  -5.807
  959   HD21  ASN 483          1HD2      ASN 483  -3.487  -5.859  -3.523
  960   HD22  ASN 483          2HD2      ASN 483  -2.424  -5.778  -2.164
  961    H    PHE 484           H        PHE 484   0.530  -4.534  -5.553
  962    HA   PHE 484           HA       PHE 484   0.317  -2.800  -3.401
  963    HB2  PHE 484           HB2      PHE 484   2.427  -3.823  -3.999
  964    HB3  PHE 484           HB1      PHE 484   2.439  -3.001  -5.553
  965    HD1  PHE 484           HD2      PHE 484   2.519  -2.355  -1.897
  966    HD2  PHE 484           HD1      PHE 484   3.530  -0.981  -5.799
  967    HE1  PHE 484           HE2      PHE 484   3.820  -0.517  -0.908
  968    HE2  PHE 484           HE1      PHE 484   4.835   0.856  -4.812
  969    HZ   PHE 484           HZ       PHE 484   4.980   1.090  -2.365
  970    H    LEU 485           H        LEU 485   0.471  -2.094  -6.855
  971    HA   LEU 485           HA       LEU 485   0.370   0.719  -6.569
  972    HB2  LEU 485           HB2      LEU 485  -0.349  -1.015  -8.929
  973    HB3  LEU 485           HB1      LEU 485  -0.108   0.722  -8.981
  974    HG   LEU 485           HG       LEU 485   2.003  -1.322  -8.286
  975   HD11  LEU 485          1HD1      LEU 485   1.616   0.369 -10.742
  976   HD12  LEU 485          2HD1      LEU 485   1.410  -1.380 -10.633
  977   HD13  LEU 485          3HD1      LEU 485   3.006  -0.664 -10.407
  978   HD21  LEU 485          3HD2      LEU 485   2.174   1.671  -8.591
  979   HD22  LEU 485          1HD2      LEU 485   3.550   0.583  -8.411
  980   HD23  LEU 485          2HD2      LEU 485   2.383   0.753  -7.100
  981    H    ARG 486           H        ARG 486  -2.124  -1.766  -6.868
  982    HA   ARG 486           HA       ARG 486  -4.351  -0.073  -7.194
  983    HB2  ARG 486           HB2      ARG 486  -3.951  -2.804  -6.101
  984    HB3  ARG 486           HB1      ARG 486  -5.422  -1.972  -5.624
  985    HG2  ARG 486           HG2      ARG 486  -5.985  -3.266  -7.490
  986    HG3  ARG 486           HG1      ARG 486  -5.857  -1.610  -8.084
  987    HD2  ARG 486           HD2      ARG 486  -3.947  -2.034  -9.259
  988    HD3  ARG 486           HD1      ARG 486  -3.446  -3.337  -8.184
  989    HE   ARG 486           HE       ARG 486  -4.902  -3.600 -10.585
  990   HH11  ARG 486          1HH1      ARG 486  -4.936  -4.852  -7.304
  991   HH12  ARG 486          2HH1      ARG 486  -5.381  -6.467  -7.785
  992   HH21  ARG 486          1HH2      ARG 486  -5.483  -5.712 -11.217
  993   HH22  ARG 486          2HH2      ARG 486  -5.698  -6.949 -10.016
  994    H    CYS 487           H        CYS 487  -2.688  -1.216  -4.289
  995    HA   CYS 487           HA       CYS 487  -4.311   0.084  -2.421
  996    HB2  CYS 487           HB2      CYS 487  -1.348  -0.451  -2.164
  997    HB3  CYS 487           HB1      CYS 487  -2.512  -0.264  -0.856
  998    HG   CYS 487           HG       CYS 487  -2.265  -2.886  -3.037
  999    H    LEU 488           H        LEU 488  -1.556   1.195  -4.311
 1000    HA   LEU 488           HA       LEU 488  -1.219   3.663  -2.979
 1001    HB2  LEU 488           HB2      LEU 488  -0.510   2.879  -5.804
 1002    HB3  LEU 488           HB1      LEU 488   0.032   4.334  -5.000
 1003    HG   LEU 488           HG       LEU 488   0.778   1.494  -4.333
 1004   HD11  LEU 488          1HD1      LEU 488   3.028   2.264  -4.832
 1005   HD12  LEU 488          2HD1      LEU 488   2.416   3.883  -5.177
 1006   HD13  LEU 488          3HD1      LEU 488   1.961   2.526  -6.212
 1007   HD21  LEU 488          3HD2      LEU 488   1.495   4.018  -2.846
 1008   HD22  LEU 488          1HD2      LEU 488   2.120   2.401  -2.517
 1009   HD23  LEU 488          2HD2      LEU 488   0.410   2.754  -2.265
 1010    H    VAL 489           H        VAL 489  -3.018   2.793  -5.945
 1011    HA   VAL 489           HA       VAL 489  -3.776   5.453  -6.521
 1012    HB   VAL 489           HB       VAL 489  -5.568   4.457  -7.972
 1013   HG11  VAL 489          1HG1      VAL 489  -3.352   4.999  -8.827
 1014   HG12  VAL 489          2HG1      VAL 489  -4.006   3.564  -9.614
 1015   HG13  VAL 489          3HG1      VAL 489  -2.773   3.401  -8.364
 1016   HG21  VAL 489          3HG2      VAL 489  -4.374   1.875  -6.983
 1017   HG22  VAL 489          1HG2      VAL 489  -5.403   2.014  -8.411
 1018   HG23  VAL 489          2HG2      VAL 489  -6.045   2.414  -6.818
 1019    H    ILE 490           H        ILE 490  -5.449   2.893  -4.697
 1020    HA   ILE 490           HA       ILE 490  -7.780   4.486  -4.315
 1021    HB   ILE 490           HB       ILE 490  -8.422   2.878  -2.558
 1022   HG12  ILE 490          2HG1      ILE 490  -5.736   1.631  -3.178
 1023   HG13  ILE 490          1HG1      ILE 490  -6.264   2.287  -1.631
 1024   HG21  ILE 490          1HG2      ILE 490  -7.465   1.650  -5.137
 1025   HG22  ILE 490          2HG2      ILE 490  -9.000   2.479  -4.881
 1026   HG23  ILE 490          3HG2      ILE 490  -8.671   0.957  -4.052
 1027   HD11  ILE 490          3HD1      ILE 490  -6.362  -0.100  -1.546
 1028   HD12  ILE 490          1HD1      ILE 490  -7.325  -0.159  -3.022
 1029   HD13  ILE 490          2HD1      ILE 490  -8.012   0.532  -1.546
 1030    H    PHE 491           H        PHE 491  -4.787   4.081  -2.495
 1031    HA   PHE 491           HA       PHE 491  -5.526   5.626  -0.255
 1032    HB2  PHE 491           HB2      PHE 491  -3.496   4.342  -0.163
 1033    HB3  PHE 491           HB1      PHE 491  -2.844   5.164  -1.576
 1034    HD1  PHE 491           HD2      PHE 491  -3.755   5.617   1.986
 1035    HD2  PHE 491           HD1      PHE 491  -1.644   7.166  -1.371
 1036    HE1  PHE 491           HE2      PHE 491  -2.643   7.261   3.442
 1037    HE2  PHE 491           HE1      PHE 491  -0.531   8.810   0.080
 1038    HZ   PHE 491           HZ       PHE 491  -1.030   8.861   2.485
 1039    H    ASN 492           H        ASN 492  -4.128   6.479  -3.380
 1040    HA   ASN 492           HA       ASN 492  -3.809   9.248  -2.869
 1041    HB2  ASN 492           HB2      ASN 492  -2.642   8.036  -4.700
 1042    HB3  ASN 492           HB1      ASN 492  -4.179   7.865  -5.541
 1043   HD21  ASN 492          1HD2      ASN 492  -5.009   9.586  -6.664
 1044   HD22  ASN 492          2HD2      ASN 492  -4.158  11.073  -6.878
 1045    H    GLN 493           H        GLN 493  -6.476   7.315  -4.044
 1046    HA   GLN 493           HA       GLN 493  -8.047   9.652  -4.746
 1047    HB2  GLN 493           HB2      GLN 493  -8.656   6.699  -4.849
 1048    HB3  GLN 493           HB1      GLN 493  -9.801   7.948  -5.315
 1049    HG2  GLN 493           HG2      GLN 493  -8.324   8.701  -7.072
 1050    HG3  GLN 493           HG1      GLN 493  -7.100   7.534  -6.573
 1051   HE21  GLN 493          1HE2      GLN 493  -7.418   5.354  -7.004
 1052   HE22  GLN 493          2HE2      GLN 493  -8.584   4.807  -8.156
 1053    H    GLU 494           H        GLU 494  -7.236   8.903  -1.886
 1054    HA   GLU 494           HA       GLU 494  -8.101   9.369   0.168
 1055    HB2  GLU 494           HB2      GLU 494 -10.474  10.371  -1.415
 1056    HB3  GLU 494           HB1      GLU 494 -10.154  10.717   0.279
 1057    HG2  GLU 494           HG2      GLU 494  -8.252  12.019  -0.254
 1058    HG3  GLU 494           HG1      GLU 494  -8.255  11.472  -1.929
 1059    H    VAL 495           H        VAL 495  -8.652   6.779  -1.180
 1060    HA   VAL 495           HA       VAL 495 -11.273   6.011  -0.192
 1061    HB   VAL 495           HB       VAL 495  -9.171   4.450  -1.693
 1062   HG11  VAL 495          1HG1      VAL 495 -10.403   2.928  -0.292
 1063   HG12  VAL 495          2HG1      VAL 495 -10.932   2.736  -1.964
 1064   HG13  VAL 495          3HG1      VAL 495 -11.934   3.627  -0.817
 1065   HG21  VAL 495          3HG2      VAL 495 -10.748   4.581  -3.550
 1066   HG22  VAL 495          1HG2      VAL 495 -10.279   6.189  -3.003
 1067   HG23  VAL 495          2HG2      VAL 495 -11.853   5.531  -2.556
 1068    H    ILE 496           H        ILE 496  -7.876   5.090   0.369
 1069    HA   ILE 496           HA       ILE 496  -8.781   3.880   2.898
 1070    HB   ILE 496           HB       ILE 496  -6.863   2.385   2.842
 1071   HG12  ILE 496          2HG1      ILE 496  -6.282   3.515   0.098
 1072   HG13  ILE 496          1HG1      ILE 496  -5.353   3.884   1.546
 1073   HG21  ILE 496          1HG2      ILE 496  -8.938   1.610   1.844
 1074   HG22  ILE 496          2HG2      ILE 496  -7.551   0.952   0.976
 1075   HG23  ILE 496          3HG2      ILE 496  -8.464   2.294   0.287
 1076   HD11  ILE 496          3HD1      ILE 496  -5.666   1.155   0.316
 1077   HD12  ILE 496          1HD1      ILE 496  -4.702   1.552   1.737
 1078   HD13  ILE 496          2HD1      ILE 496  -4.258   2.206   0.160
 1079    H    SER 497           H        SER 497  -7.236   4.000   4.680
 1080    HA   SER 497           HA       SER 497  -5.808   6.552   4.644
 1081    HB2  SER 497           HB2      SER 497  -6.518   4.751   6.976
 1082    HB3  SER 497           HB1      SER 497  -5.819   6.367   7.090
 1083    HG   SER 497           HG       SER 497  -8.033   6.396   5.551
 1084    H    ARG 498           H        ARG 498  -3.898   6.232   6.509
 1085    HA   ARG 498           HA       ARG 498  -1.830   5.035   5.026
 1086    HB2  ARG 498           HB2      ARG 498  -2.026   6.283   7.732
 1087    HB3  ARG 498           HB1      ARG 498  -0.560   5.417   7.290
 1088    HG2  ARG 498           HG2      ARG 498  -0.040   6.916   5.593
 1089    HG3  ARG 498           HG1      ARG 498  -1.686   7.543   5.508
 1090    HD2  ARG 498           HD2      ARG 498  -0.055   9.093   6.561
 1091    HD3  ARG 498           HD1      ARG 498  -1.429   8.689   7.587
 1092    HE   ARG 498           HE       ARG 498   1.303   7.612   7.907
 1093   HH11  ARG 498          1HH1      ARG 498  -1.828   8.471   9.193
 1094   HH12  ARG 498          2HH1      ARG 498  -1.369   8.213  10.856
 1095   HH21  ARG 498          1HH2      ARG 498   1.918   7.289  10.107
 1096   HH22  ARG 498          2HH2      ARG 498   0.752   7.561  11.364
 1097    H    ALA 499           H        ALA 499  -3.329   4.004   8.104
 1098    HA   ALA 499           HA       ALA 499  -1.512   1.949   8.658
 1099    HB1  ALA 499           HB1      ALA 499  -3.139   1.143  10.259
 1100    HB2  ALA 499           HB2      ALA 499  -4.407   2.097   9.492
 1101    HB3  ALA 499           HB3      ALA 499  -3.067   2.906  10.304
 1102    H    GLU 500           H        GLU 500  -4.709   1.737   7.051
 1103    HA   GLU 500           HA       GLU 500  -4.524  -1.060   6.640
 1104    HB2  GLU 500           HB2      GLU 500  -6.307  -0.640   4.854
 1105    HB3  GLU 500           HB1      GLU 500  -6.708  -0.232   6.514
 1106    HG2  GLU 500           HG2      GLU 500  -5.593   1.901   4.780
 1107    HG3  GLU 500           HG1      GLU 500  -7.253   1.376   4.501
 1108    H    LEU 501           H        LEU 501  -3.443   1.695   4.771
 1109    HA   LEU 501           HA       LEU 501  -2.814   0.410   2.368
 1110    HB2  LEU 501           HB2      LEU 501  -2.742   2.810   2.542
 1111    HB3  LEU 501           HB1      LEU 501  -1.499   2.734   3.775
 1112    HG   LEU 501           HG       LEU 501   0.080   1.829   2.090
 1113   HD11  LEU 501          1HD1      LEU 501  -2.153   2.401   0.148
 1114   HD12  LEU 501          2HD1      LEU 501  -1.530   0.808   0.581
 1115   HD13  LEU 501          3HD1      LEU 501  -0.499   1.955  -0.274
 1116   HD21  LEU 501          3HD2      LEU 501  -1.201   4.433   1.279
 1117   HD22  LEU 501          1HD2      LEU 501   0.454   3.921   0.953
 1118   HD23  LEU 501          2HD2      LEU 501  -0.061   4.238   2.609
 1119    H    VAL 502           H        VAL 502  -0.917   0.784   5.348
 1120    HA   VAL 502           HA       VAL 502   1.399  -0.505   4.306
 1121    HB   VAL 502           HB       VAL 502   0.975  -0.660   7.234
 1122   HG11  VAL 502          1HG1      VAL 502   3.118  -1.154   6.015
 1123   HG12  VAL 502          2HG1      VAL 502   3.253   0.018   7.327
 1124   HG13  VAL 502          3HG1      VAL 502   3.223   0.574   5.650
 1125   HG21  VAL 502          3HG2      VAL 502   1.402   1.711   7.589
 1126   HG22  VAL 502          1HG2      VAL 502  -0.141   1.444   6.781
 1127   HG23  VAL 502          2HG2      VAL 502   1.255   1.999   5.855
 1128    H    GLN 503           H        GLN 503  -1.405  -1.641   6.158
 1129    HA   GLN 503           HA       GLN 503  -0.239  -4.193   6.705
 1130    HB2  GLN 503           HB2      GLN 503  -2.284  -4.762   7.758
 1131    HB3  GLN 503           HB1      GLN 503  -1.984  -3.069   8.113
 1132    HG2  GLN 503           HG2      GLN 503  -3.543  -2.474   6.273
 1133    HG3  GLN 503           HG1      GLN 503  -3.922  -4.186   6.110
 1134   HE21  GLN 503          1HE2      GLN 503  -5.044  -5.231   7.766
 1135   HE22  GLN 503          2HE2      GLN 503  -5.966  -4.344   8.936
 1136    H    LEU 504           H        LEU 504  -2.109  -2.940   4.042
 1137    HA   LEU 504           HA       LEU 504  -3.023  -5.431   3.044
 1138    HB2  LEU 504           HB2      LEU 504  -2.442  -2.842   1.624
 1139    HB3  LEU 504           HB1      LEU 504  -3.134  -4.243   0.835
 1140    HG   LEU 504           HG       LEU 504  -4.395  -2.762   3.143
 1141   HD11  LEU 504          1HD1      LEU 504  -4.347  -1.451   1.068
 1142   HD12  LEU 504          2HD1      LEU 504  -5.985  -1.952   1.496
 1143   HD13  LEU 504          3HD1      LEU 504  -5.110  -2.792   0.215
 1144   HD21  LEU 504          3HD2      LEU 504  -6.366  -4.144   2.561
 1145   HD22  LEU 504          1HD2      LEU 504  -5.006  -5.099   3.150
 1146   HD23  LEU 504          2HD2      LEU 504  -5.362  -5.040   1.421
 1147    H    VAL 505           H        VAL 505  -0.043  -3.629   2.603
 1148    HA   VAL 505           HA       VAL 505   0.974  -5.626   0.748
 1149    HB   VAL 505           HB       VAL 505   1.375  -3.140   0.475
 1150   HG11  VAL 505          1HG1      VAL 505   3.332  -3.596   2.714
 1151   HG12  VAL 505          2HG1      VAL 505   1.900  -2.565   2.763
 1152   HG13  VAL 505          3HG1      VAL 505   3.248  -2.155   1.701
 1153   HG21  VAL 505          3HG2      VAL 505   3.790  -4.942   0.527
 1154   HG22  VAL 505          1HG2      VAL 505   3.661  -3.420  -0.357
 1155   HG23  VAL 505          2HG2      VAL 505   2.629  -4.784  -0.792
 1156    H    SER 506           H        SER 506   0.547  -5.678   3.910
 1157    HA   SER 506           HA       SER 506   3.030  -6.298   5.045
 1158    HB2  SER 506           HB2      SER 506   0.956  -5.805   6.332
 1159    HB3  SER 506           HB1      SER 506   0.340  -7.395   5.881
 1160    HG   SER 506           HG       SER 506   2.775  -7.724   6.890
 1161    HA   PRO 507           HA       PRO 507   2.006 -11.014   3.941
 1162    HB2  PRO 507           HB2      PRO 507   0.548 -10.495   1.407
 1163    HB3  PRO 507           HB1      PRO 507   0.303 -11.767   2.609
 1164    HG2  PRO 507           HG2      PRO 507  -1.392  -9.725   2.438
 1165    HG3  PRO 507           HG1      PRO 507  -0.921 -10.386   4.014
 1166    HD2  PRO 507           HD2      PRO 507  -0.001  -7.887   2.655
 1167    HD3  PRO 507           HD1      PRO 507  -0.349  -8.176   4.371
 1168    H    PHE 508           H        PHE 508   2.810  -8.322   1.981
 1169    HA   PHE 508           HA       PHE 508   4.419  -9.949   0.153
 1170    HB2  PHE 508           HB2      PHE 508   3.738  -7.003   0.037
 1171    HB3  PHE 508           HB1      PHE 508   4.562  -7.927  -1.217
 1172    HD1  PHE 508           HD1      PHE 508   1.349  -7.400   0.504
 1173    HD2  PHE 508           HD2      PHE 508   3.349  -9.309  -2.729
 1174    HE1  PHE 508           HE1      PHE 508  -0.825  -7.962  -0.499
 1175    HE2  PHE 508           HE2      PHE 508   1.180  -9.880  -3.736
 1176    HZ   PHE 508           HZ       PHE 508  -0.913  -9.207  -2.623
 1177    H    LEU 509           H        LEU 509   4.725  -7.040   2.202
 1178    HA   LEU 509           HA       LEU 509   7.626  -7.155   1.917
 1179    HB2  LEU 509           HB2      LEU 509   5.902  -5.132   3.340
 1180    HB3  LEU 509           HB1      LEU 509   7.625  -4.993   3.056
 1181    HG   LEU 509           HG       LEU 509   5.458  -4.966   0.957
 1182   HD11  LEU 509          1HD1      LEU 509   7.348  -2.838   1.943
 1183   HD12  LEU 509          2HD1      LEU 509   5.609  -2.903   2.221
 1184   HD13  LEU 509          3HD1      LEU 509   6.232  -2.667   0.589
 1185   HD21  LEU 509          3HD2      LEU 509   7.426  -6.109   0.110
 1186   HD22  LEU 509          1HD2      LEU 509   8.451  -4.781   0.656
 1187   HD23  LEU 509          2HD2      LEU 509   7.273  -4.515  -0.630
 1188    H    GLY 510           H        GLY 510   5.484  -8.640   3.888
 1189    HA2  GLY 510           HA2      GLY 510   6.536  -8.155   6.478
 1190    HA3  GLY 510           HA1      GLY 510   5.572  -9.544   6.004
 1191    H    LYS 511           H        LYS 511   7.732  -9.969   3.847
 1192    HA   LYS 511           HA       LYS 511   9.459 -11.623   5.516
 1193    HB2  LYS 511           HB2      LYS 511   9.326 -11.397   2.498
 1194    HB3  LYS 511           HB1      LYS 511  10.256 -12.581   3.396
 1195    HG2  LYS 511           HG2      LYS 511   8.367 -13.727   2.664
 1196    HG3  LYS 511           HG1      LYS 511   8.036 -13.353   4.353
 1197    HD2  LYS 511           HD2      LYS 511   6.707 -11.405   3.639
 1198    HD3  LYS 511           HD1      LYS 511   6.999 -11.846   1.956
 1199    HE2  LYS 511           HE2      LYS 511   4.818 -12.610   2.665
 1200    HE3  LYS 511           HE1      LYS 511   5.870 -13.982   2.328
 1201    HZ1  LYS 511           HZ1      LYS 511   6.239 -14.264   4.690
 1202    HZ2  LYS 511           HZ2      LYS 511   4.574 -14.290   4.368
 1203    HZ3  LYS 511           HZ3      LYS 511   5.283 -12.906   5.037
 1204    H    PHE 512           H        PHE 512   9.408  -8.531   4.517
 1205    HA   PHE 512           HA       PHE 512  12.335  -8.343   4.301
 1206    HB2  PHE 512           HB2      PHE 512  10.362  -6.667   2.731
 1207    HB3  PHE 512           HB1      PHE 512  12.115  -6.675   2.566
 1208    HD1  PHE 512           HD1      PHE 512  13.253  -8.589   1.537
 1209    HD2  PHE 512           HD2      PHE 512   8.998  -8.350   1.670
 1210    HE1  PHE 512           HE1      PHE 512  13.099 -10.335  -0.188
 1211    HE2  PHE 512           HE2      PHE 512   8.844 -10.080  -0.064
 1212    HZ   PHE 512           HZ       PHE 512  10.894 -11.084  -0.989
 1213    HA   PRO 513           HA       PRO 513  10.755  -6.095   7.995
 1214    HB2  PRO 513           HB2      PRO 513  13.344  -5.812   9.003
 1215    HB3  PRO 513           HB1      PRO 513  12.216  -7.111   9.401
 1216    HG2  PRO 513           HG2      PRO 513  14.466  -7.083   7.439
 1217    HG3  PRO 513           HG1      PRO 513  13.905  -8.395   8.492
 1218    HD2  PRO 513           HD2      PRO 513  13.341  -8.382   5.880
 1219    HD3  PRO 513           HD1      PRO 513  12.155  -8.952   7.073
 1220    H    GLU 514           H        GLU 514  13.791  -5.195   6.352
 1221    HA   GLU 514           HA       GLU 514  13.794  -2.511   7.165
 1222    HB2  GLU 514           HB2      GLU 514  15.435  -2.164   5.365
 1223    HB3  GLU 514           HB1      GLU 514  15.792  -3.608   6.305
 1224    HG2  GLU 514           HG2      GLU 514  14.834  -5.002   4.556
 1225    HG3  GLU 514           HG1      GLU 514  14.416  -3.565   3.624
 1226    H    LEU 515           H        LEU 515  12.228  -4.124   4.501
 1227    HA   LEU 515           HA       LEU 515  11.782  -1.730   2.990
 1228    HB2  LEU 515           HB2      LEU 515  12.010  -4.274   2.271
 1229    HB3  LEU 515           HB1      LEU 515  10.271  -4.250   2.491
 1230    HG   LEU 515           HG       LEU 515  10.068  -2.461   0.841
 1231   HD11  LEU 515          1HD1      LEU 515  12.014  -1.788  -0.487
 1232   HD12  LEU 515          2HD1      LEU 515  13.055  -2.761   0.552
 1233   HD13  LEU 515          3HD1      LEU 515  12.208  -1.361   1.213
 1234   HD21  LEU 515          3HD2      LEU 515   9.962  -4.793   0.103
 1235   HD22  LEU 515          1HD2      LEU 515  11.705  -4.790  -0.152
 1236   HD23  LEU 515          2HD2      LEU 515  10.669  -3.757  -1.134
 1237    H    PHE 516           H        PHE 516   9.816  -3.911   4.987
 1238    HA   PHE 516           HA       PHE 516   7.402  -2.459   4.638
 1239    HB2  PHE 516           HB2      PHE 516   7.568  -4.841   5.456
 1240    HB3  PHE 516           HB1      PHE 516   8.121  -4.206   7.003
 1241    HD1  PHE 516           HD1      PHE 516   5.305  -4.030   4.599
 1242    HD2  PHE 516           HD2      PHE 516   6.578  -3.581   8.632
 1243    HE1  PHE 516           HE1      PHE 516   2.968  -3.729   5.298
 1244    HE2  PHE 516           HE2      PHE 516   4.242  -3.284   9.340
 1245    HZ   PHE 516           HZ       PHE 516   2.430  -3.346   7.668
 1246    H    ASN 517           H        ASN 517  10.029  -2.301   6.982
 1247    HA   ASN 517           HA       ASN 517   8.802  -0.393   8.692
 1248    HB2  ASN 517           HB2      ASN 517  10.718  -1.788   9.396
 1249    HB3  ASN 517           HB1      ASN 517  11.752  -0.937   8.252
 1250   HD21  ASN 517          1HD2      ASN 517  12.491   1.095   8.742
 1251   HD22  ASN 517          2HD2      ASN 517  12.276   1.829  10.300
 1252    H    TRP 518           H        TRP 518  10.781  -0.161   5.795
 1253    HA   TRP 518           HA       TRP 518  11.263   2.599   5.772
 1254    HB2  TRP 518           HB2      TRP 518  12.259   0.927   4.189
 1255    HB3  TRP 518           HB1      TRP 518  10.702   0.822   3.381
 1256    HD1  TRP 518           HD1      TRP 518  13.892   2.713   3.357
 1257    HE1  TRP 518           HE1      TRP 518  13.780   4.650   1.666
 1258    HE3  TRP 518           HE3      TRP 518   8.856   2.719   2.435
 1259    HZ2  TRP 518           HZ2      TRP 518  11.823   6.005   0.157
 1260    HZ3  TRP 518           HZ3      TRP 518   7.952   4.373   0.858
 1261    HH2  TRP 518           HH2      TRP 518   9.407   5.983  -0.257
 1262    H    PHE 519           H        PHE 519   8.600   0.689   4.441
 1263    HA   PHE 519           HA       PHE 519   7.108   2.777   3.365
 1264    HB2  PHE 519           HB2      PHE 519   6.821   0.187   3.204
 1265    HB3  PHE 519           HB1      PHE 519   5.801   0.386   4.624
 1266    HD1  PHE 519           HD1      PHE 519   6.192   2.483   1.576
 1267    HD2  PHE 519           HD2      PHE 519   3.619   0.066   3.946
 1268    HE1  PHE 519           HE1      PHE 519   4.307   3.063   0.115
 1269    HE2  PHE 519           HE2      PHE 519   1.723   0.647   2.490
 1270    HZ   PHE 519           HZ       PHE 519   2.064   2.149   0.568
 1271    H    LYS 520           H        LYS 520   6.998   1.336   6.614
 1272    HA   LYS 520           HA       LYS 520   4.998   2.980   7.687
 1273    HB2  LYS 520           HB2      LYS 520   7.334   1.548   8.928
 1274    HB3  LYS 520           HB1      LYS 520   6.241   2.524   9.898
 1275    HG2  LYS 520           HG2      LYS 520   4.366   1.127   9.202
 1276    HG3  LYS 520           HG1      LYS 520   5.460   0.155   8.216
 1277    HD2  LYS 520           HD2      LYS 520   6.593  -0.678  10.111
 1278    HD3  LYS 520           HD1      LYS 520   5.870   0.536  11.170
 1279    HE2  LYS 520           HE2      LYS 520   3.688  -0.480  10.870
 1280    HE3  LYS 520           HE1      LYS 520   4.370  -1.669   9.763
 1281    HZ1  LYS 520           HZ1      LYS 520   5.419  -1.420  12.508
 1282    HZ2  LYS 520           HZ2      LYS 520   5.452  -2.763  11.469
 1283    HZ3  LYS 520           HZ3      LYS 520   4.000  -2.302  12.220
 1284    H    ASN 521           H        ASN 521   8.498   3.443   7.497
 1285    HA   ASN 521           HA       ASN 521   8.620   5.814   9.013
 1286    HB2  ASN 521           HB2      ASN 521  10.595   4.440   8.534
 1287    HB3  ASN 521           HB1      ASN 521  10.469   4.840   6.826
 1288   HD21  ASN 521          1HD2      ASN 521  12.492   5.744   6.749
 1289   HD22  ASN 521          2HD2      ASN 521  12.870   7.260   7.481
 1290    H    PHE 522           H        PHE 522   8.106   5.263   5.554
 1291    HA   PHE 522           HA       PHE 522   8.425   8.005   4.813
 1292    HB2  PHE 522           HB2      PHE 522   8.712   6.096   3.236
 1293    HB3  PHE 522           HB1      PHE 522   6.980   5.800   3.322
 1294    HD1  PHE 522           HD2      PHE 522   9.295   8.660   2.660
 1295    HD2  PHE 522           HD1      PHE 522   5.717   6.617   1.591
 1296    HE1  PHE 522           HE2      PHE 522   8.938  10.252   0.819
 1297    HE2  PHE 522           HE1      PHE 522   5.357   8.205  -0.250
 1298    HZ   PHE 522           HZ       PHE 522   6.966  10.026  -0.637
 1299    H    LEU 523           H        LEU 523   5.780   6.002   5.833
 1300    HA   LEU 523           HA       LEU 523   3.801   8.063   5.329
 1301    HB2  LEU 523           HB2      LEU 523   3.723   5.265   6.391
 1302    HB3  LEU 523           HB1      LEU 523   2.361   6.334   6.647
 1303    HG   LEU 523           HG       LEU 523   2.070   6.567   4.219
 1304   HD11  LEU 523          1HD1      LEU 523   4.433   6.241   3.573
 1305   HD12  LEU 523          2HD1      LEU 523   3.321   5.220   2.661
 1306   HD13  LEU 523          3HD1      LEU 523   4.278   4.528   3.974
 1307   HD21  LEU 523          3HD2      LEU 523   1.326   4.291   3.772
 1308   HD22  LEU 523          1HD2      LEU 523   0.891   4.803   5.403
 1309   HD23  LEU 523          2HD2      LEU 523   2.256   3.710   5.154
 1310    H    GLY 524           H        GLY 524   6.119   7.716   7.583
 1311    HA2  GLY 524           HA2      GLY 524   6.446   8.530   9.704
 1312    HA3  GLY 524           HA1      GLY 524   5.066   9.575   9.396
 1313    H    TYR 525           H        TYR 525   5.128   6.057   9.491
 1314    HA   TYR 525           HA       TYR 525   2.985   6.179  11.488
 1315    HB2  TYR 525           HB2      TYR 525   2.432   5.085   9.370
 1316    HB3  TYR 525           HB1      TYR 525   3.786   3.982   9.570
 1317    HD1  TYR 525           HD1      TYR 525   1.171   5.049  12.029
 1318    HD2  TYR 525           HD2      TYR 525   2.865   1.878   9.754
 1319    HE1  TYR 525           HE1      TYR 525  -0.315   3.445  13.162
 1320    HE2  TYR 525           HE2      TYR 525   1.390   0.271  10.880
 1321    HH   TYR 525           HH       TYR 525   0.120   0.037  12.907
 1322    H    LYS 526           H        LYS 526   3.601   5.892  13.484
 1323    HA   LYS 526           HA       LYS 526   5.827   4.084  14.100
 1324    HB2  LYS 526           HB2      LYS 526   4.360   6.135  15.767
 1325    HB3  LYS 526           HB1      LYS 526   5.587   5.053  16.415
 1326    HG2  LYS 526           HG2      LYS 526   7.276   6.021  15.046
 1327    HG3  LYS 526           HG1      LYS 526   6.084   6.955  14.141
 1328    HD2  LYS 526           HD2      LYS 526   5.572   8.270  16.108
 1329    HD3  LYS 526           HD1      LYS 526   6.669   7.287  17.083
 1330    HE2  LYS 526           HE2      LYS 526   7.615   9.482  16.354
 1331    HE3  LYS 526           HE1      LYS 526   8.569   8.080  15.875
 1332    HZ1  LYS 526           HZ1      LYS 526   8.301   9.761  14.103
 1333    HZ2  LYS 526           HZ2      LYS 526   6.626   9.456  14.094
 1334    HZ3  LYS 526           HZ3      LYS 526   7.717   8.229  13.665
 1335    H    GLU 527           H        GLU 527   5.504   2.165  15.060
 1336    HA   GLU 527           HA       GLU 527   2.866   1.568  16.173
 1337    HB2  GLU 527           HB2      GLU 527   2.893   0.909  13.761
 1338    HB3  GLU 527           HB1      GLU 527   4.228  -0.176  14.114
 1339    HG2  GLU 527           HG2      GLU 527   2.791  -1.448  15.629
 1340    HG3  GLU 527           HG1      GLU 527   1.451  -0.360  15.260
 1341    H    SER 528           H        SER 528   3.855   1.532  18.186
 1342    HA   SER 528           HA       SER 528   6.188  -0.058  18.695
 1343    HB2  SER 528           HB2      SER 528   4.275   1.147  20.705
 1344    HB3  SER 528           HB1      SER 528   5.951   0.670  20.979
 1345    HG   SER 528           HG       SER 528   4.953   2.827  19.431
  Start of MODEL   10
    1    H1   SER 127           HT1      SER 127 -11.342 -28.891   6.526
    2    H2   SER 127           HT2      SER 127  -9.664 -28.735   6.379
    3    H3   SER 127           HT3      SER 127 -10.592 -27.420   6.896
    4    HA   SER 127           HA       SER 127 -10.257 -29.975   8.348
    5    HB2  SER 127           HB2      SER 127  -8.209 -28.570   8.292
    6    HB3  SER 127           HB1      SER 127  -9.130 -27.234   8.982
    7    HG   SER 127           HG       SER 127  -8.682 -29.777  10.193
    8    H    ASN 128           H        ASN 128 -11.897 -26.937   7.973
    9    HA   ASN 128           HA       ASN 128 -13.756 -26.064   8.886
   10    HB2  ASN 128           HB2      ASN 128 -14.780 -28.244   8.595
   11    HB3  ASN 128           HB1      ASN 128 -14.075 -28.812  10.105
   12   HD21  ASN 128          1HD2      ASN 128 -15.089 -28.403  11.983
   13   HD22  ASN 128          2HD2      ASN 128 -16.592 -27.548  12.108
   14    H    ALA 129           H        ALA 129 -12.952 -24.492  10.090
   15    HA   ALA 129           HA       ALA 129 -12.586 -23.242  11.945
   16    HB1  ALA 129           HB1      ALA 129 -13.458 -23.989  14.090
   17    HB2  ALA 129           HB2      ALA 129 -13.645 -25.625  13.460
   18    HB3  ALA 129           HB3      ALA 129 -14.618 -24.311  12.801
   19    H    GLY 130           H        GLY 130 -10.538 -25.114  10.876
   20    HA2  GLY 130           HA2      GLY 130  -8.625 -24.748  12.990
   21    HA3  GLY 130           HA1      GLY 130  -9.028 -26.436  12.717
   22    H    SER 131           H        SER 131  -6.618 -26.329  12.325
   23    HA   SER 131           HA       SER 131  -6.182 -26.087   9.439
   24    HB2  SER 131           HB2      SER 131  -5.291 -24.017  10.451
   25    HB3  SER 131           HB1      SER 131  -4.304 -24.977  11.551
   26    HG   SER 131           HG       SER 131  -2.884 -25.174  10.033
   27    H    ASP 132           H        ASP 132  -5.439 -27.988   8.717
   28    HA   ASP 132           HA       ASP 132  -3.952 -29.687  10.609
   29    HB2  ASP 132           HB2      ASP 132  -5.044 -31.634   9.784
   30    HB3  ASP 132           HB1      ASP 132  -6.309 -30.457  10.112
   31    H    ASP 133           H        ASP 133  -2.509 -31.258   9.622
   32    HA   ASP 133           HA       ASP 133  -1.616 -30.567   6.909
   33    HB2  ASP 133           HB2      ASP 133  -0.072 -29.426   8.378
   34    HB3  ASP 133           HB1      ASP 133   0.136 -30.875   9.358
   35    H    ASP 134           H        ASP 134  -0.969 -32.308   5.678
   36    HA   ASP 134           HA       ASP 134  -1.475 -34.929   6.920
   37    HB2  ASP 134           HB2      ASP 134  -2.936 -34.053   4.993
   38    HB3  ASP 134           HB1      ASP 134  -1.539 -34.343   3.962
   39    H    GLY 135           H        GLY 135   1.092 -33.271   6.677
   40    HA2  GLY 135           HA2      GLY 135   3.300 -34.034   6.692
   41    HA3  GLY 135           HA1      GLY 135   2.775 -35.509   5.891
   42    H    GLY 136           H        GLY 136   5.065 -34.151   5.072
   43    HA2  GLY 136           HA2      GLY 136   5.025 -34.210   2.414
   44    HA3  GLY 136           HA1      GLY 136   4.308 -32.634   2.708
   45    H    ASP 137           H        ASP 137   6.046 -31.680   1.599
   46    HA   ASP 137           HA       ASP 137   8.365 -31.233   3.320
   47    HB2  ASP 137           HB2      ASP 137   9.121 -32.919   1.713
   48    HB3  ASP 137           HB1      ASP 137   8.546 -31.929   0.375
   49    H    SER 138           H        SER 138   8.960 -29.134   3.383
   50    HA   SER 138           HA       SER 138   7.198 -27.179   2.414
   51    HB2  SER 138           HB2      SER 138   9.070 -25.589   3.151
   52    HB3  SER 138           HB1      SER 138   8.393 -26.657   4.380
   53    HG   SER 138           HG       SER 138  10.919 -26.427   3.668
   54    HA   PRO 139           HA       PRO 139   8.749 -26.842  -1.753
   55    HB2  PRO 139           HB2      PRO 139   7.097 -24.828  -2.508
   56    HB3  PRO 139           HB1      PRO 139   6.554 -26.504  -2.366
   57    HG2  PRO 139           HG2      PRO 139   6.245 -24.241  -0.425
   58    HG3  PRO 139           HG1      PRO 139   5.051 -25.453  -0.929
   59    HD2  PRO 139           HD2      PRO 139   6.412 -25.645   1.396
   60    HD3  PRO 139           HD1      PRO 139   5.921 -27.072   0.462
   61    H    VAL 140           H        VAL 140   9.481 -24.949  -3.166
   62    HA   VAL 140           HA       VAL 140  11.229 -23.260  -1.636
   63    HB   VAL 140           HB       VAL 140  11.902 -22.303  -3.811
   64   HG11  VAL 140          1HG1      VAL 140  13.013 -24.293  -2.971
   65   HG12  VAL 140          2HG1      VAL 140  12.907 -24.336  -4.732
   66   HG13  VAL 140          3HG1      VAL 140  11.810 -25.314  -3.758
   67   HG21  VAL 140          3HG2      VAL 140   9.855 -24.188  -4.976
   68   HG22  VAL 140          1HG2      VAL 140  11.027 -23.244  -5.896
   69   HG23  VAL 140          2HG2      VAL 140   9.764 -22.426  -4.976
   70    H    GLN 141           H        GLN 141  11.070 -21.048  -1.308
   71    HA   GLN 141           HA       GLN 141   8.351 -20.016  -1.690
   72    HB2  GLN 141           HB2      GLN 141  10.534 -19.140   0.203
   73    HB3  GLN 141           HB1      GLN 141   8.969 -18.347   0.055
   74    HG2  GLN 141           HG2      GLN 141   7.871 -20.453   0.692
   75    HG3  GLN 141           HG1      GLN 141   9.456 -21.194   0.908
   76   HE21  GLN 141          1HE2      GLN 141   7.123 -18.991   2.190
   77   HE22  GLN 141          2HE2      GLN 141   7.862 -18.790   3.742
   78    H    ASP 142           H        ASP 142   9.183 -19.819  -3.987
   79    HA   ASP 142           HA       ASP 142  10.597 -17.316  -4.468
   80    HB2  ASP 142           HB2      ASP 142  10.480 -17.906  -6.820
   81    HB3  ASP 142           HB1      ASP 142  11.020 -19.313  -5.911
   82    H    ILE 143           H        ILE 143   7.492 -18.525  -4.023
   83    HA   ILE 143           HA       ILE 143   5.426 -17.616  -3.937
   84    HB   ILE 143           HB       ILE 143   6.562 -14.921  -4.618
   85   HG12  ILE 143          2HG1      ILE 143   6.376 -16.149  -1.855
   86   HG13  ILE 143          1HG1      ILE 143   7.878 -15.923  -2.746
   87   HG21  ILE 143          1HG2      ILE 143   4.185 -15.802  -2.984
   88   HG22  ILE 143          2HG2      ILE 143   4.138 -15.128  -4.614
   89   HG23  ILE 143          3HG2      ILE 143   4.678 -14.131  -3.264
   90   HD11  ILE 143          3HD1      ILE 143   7.524 -13.508  -2.727
   91   HD12  ILE 143          1HD1      ILE 143   7.558 -14.171  -1.092
   92   HD13  ILE 143          2HD1      ILE 143   6.019 -13.737  -1.839
   93    H    ASP 144           H        ASP 144   3.835 -17.640  -5.365
   94    HA   ASP 144           HA       ASP 144   4.484 -17.153  -8.168
   95    HB2  ASP 144           HB2      ASP 144   3.289 -19.238  -7.652
   96    HB3  ASP 144           HB1      ASP 144   1.975 -18.314  -6.930
   97    H    THR 145           H        THR 145   1.898 -16.328  -5.869
   98    HA   THR 145           HA       THR 145   2.025 -13.551  -6.577
   99    HB   THR 145           HB       THR 145  -0.446 -15.123  -7.361
  100    HG1  THR 145           HG1      THR 145   1.644 -14.683  -8.760
  101   HG21  THR 145          3HG2      THR 145  -1.046 -12.993  -6.286
  102   HG22  THR 145          1HG2      THR 145  -1.416 -12.976  -8.011
  103   HG23  THR 145          2HG2      THR 145   0.011 -12.134  -7.406
  104    HA   PRO 146           HA       PRO 146   0.661 -13.853  -2.270
  105    HB2  PRO 146           HB2      PRO 146   1.268 -10.982  -2.280
  106    HB3  PRO 146           HB1      PRO 146   1.958 -12.267  -1.287
  107    HG2  PRO 146           HG2      PRO 146   3.365 -11.042  -3.232
  108    HG3  PRO 146           HG1      PRO 146   3.606 -12.749  -2.815
  109    HD2  PRO 146           HD2      PRO 146   2.088 -11.551  -5.101
  110    HD3  PRO 146           HD1      PRO 146   3.149 -12.975  -5.078
  111    H    GLU 147           H        GLU 147  -1.265 -13.330  -1.350
  112    HA   GLU 147           HA       GLU 147  -3.099 -11.715  -2.963
  113    HB2  GLU 147           HB2      GLU 147  -4.870 -12.800  -1.572
  114    HB3  GLU 147           HB1      GLU 147  -3.918 -13.929  -2.526
  115    HG2  GLU 147           HG2      GLU 147  -2.603 -14.493  -0.547
  116    HG3  GLU 147           HG1      GLU 147  -3.560 -13.359   0.407
  117    H    VAL 148           H        VAL 148  -4.144  -9.949  -2.136
  118    HA   VAL 148           HA       VAL 148  -2.977  -8.773   0.236
  119    HB   VAL 148           HB       VAL 148  -3.278  -7.274  -1.615
  120   HG11  VAL 148          1HG1      VAL 148  -5.452  -6.748  -2.573
  121   HG12  VAL 148          2HG1      VAL 148  -6.211  -7.954  -1.534
  122   HG13  VAL 148          3HG1      VAL 148  -5.065  -8.458  -2.776
  123   HG21  VAL 148          3HG2      VAL 148  -5.363  -6.672   0.480
  124   HG22  VAL 148          1HG2      VAL 148  -4.629  -5.506  -0.620
  125   HG23  VAL 148          2HG2      VAL 148  -3.639  -6.309   0.599
  126    H    ASP 149           H        ASP 149  -3.858  -8.742   2.198
  127    HA   ASP 149           HA       ASP 149  -6.362 -10.102   2.641
  128    HB2  ASP 149           HB2      ASP 149  -4.399 -10.374   4.166
  129    HB3  ASP 149           HB1      ASP 149  -4.579  -8.690   4.642
  130    H    LEU 150           H        LEU 150  -8.066  -8.923   1.970
  131    HA   LEU 150           HA       LEU 150  -8.215  -6.090   2.604
  132    HB2  LEU 150           HB2      LEU 150 -10.022  -7.908   1.023
  133    HB3  LEU 150           HB1      LEU 150 -10.377  -6.217   1.323
  134    HG   LEU 150           HG       LEU 150  -7.969  -7.256  -0.179
  135   HD11  LEU 150          1HD1      LEU 150 -10.435  -5.831  -1.150
  136   HD12  LEU 150          2HD1      LEU 150 -10.054  -7.533  -1.415
  137   HD13  LEU 150          3HD1      LEU 150  -9.038  -6.280  -2.128
  138   HD21  LEU 150          3HD2      LEU 150  -8.936  -4.434   0.245
  139   HD22  LEU 150          1HD2      LEU 150  -7.537  -4.931  -0.709
  140   HD23  LEU 150          2HD2      LEU 150  -7.540  -5.164   1.041
  141    H    TYR 151           H        TYR 151  -8.762  -8.790   4.279
  142    HA   TYR 151           HA       TYR 151 -11.234  -8.089   5.582
  143    HB2  TYR 151           HB2      TYR 151  -9.985 -10.424   5.437
  144    HB3  TYR 151           HB1      TYR 151  -9.159  -9.828   6.874
  145    HD1  TYR 151           HD2      TYR 151 -12.473 -10.662   5.467
  146    HD2  TYR 151           HD1      TYR 151 -10.239  -9.822   8.986
  147    HE1  TYR 151           HE2      TYR 151 -14.378 -11.385   6.837
  148    HE2  TYR 151           HE1      TYR 151 -12.142 -10.541  10.370
  149    HH   TYR 151           HH       TYR 151 -14.830 -12.215   9.068
  150    H    GLN 152           H        GLN 152  -7.841  -7.505   5.907
  151    HA   GLN 152           HA       GLN 152  -7.559  -6.236   8.312
  152    HB2  GLN 152           HB2      GLN 152  -6.229  -6.317   5.772
  153    HB3  GLN 152           HB1      GLN 152  -6.203  -4.672   6.389
  154    HG2  GLN 152           HG2      GLN 152  -4.695  -5.161   7.920
  155    HG3  GLN 152           HG1      GLN 152  -5.556  -6.617   8.424
  156   HE21  GLN 152          1HE2      GLN 152  -4.595  -6.182   5.134
  157   HE22  GLN 152          2HE2      GLN 152  -3.317  -7.341   5.138
  158    H    LEU 153           H        LEU 153  -8.939  -4.917   5.331
  159    HA   LEU 153           HA       LEU 153  -9.095  -2.237   6.139
  160    HB2  LEU 153           HB2      LEU 153 -10.879  -3.749   4.231
  161    HB3  LEU 153           HB1      LEU 153 -10.841  -2.006   4.397
  162    HG   LEU 153           HG       LEU 153  -8.635  -3.777   3.345
  163   HD11  LEU 153          1HD1      LEU 153 -10.311  -1.623   2.061
  164   HD12  LEU 153          2HD1      LEU 153 -10.441  -3.358   1.770
  165   HD13  LEU 153          3HD1      LEU 153  -8.982  -2.490   1.292
  166   HD21  LEU 153          3HD2      LEU 153  -7.671  -1.987   4.677
  167   HD22  LEU 153          1HD2      LEU 153  -8.640  -0.799   3.806
  168   HD23  LEU 153          2HD2      LEU 153  -7.390  -1.708   2.958
  169    H    GLN 154           H        GLN 154 -10.347  -1.222   7.524
  170    HA   GLN 154           HA       GLN 154 -12.240  -2.529   9.151
  171    HB2  GLN 154           HB2      GLN 154 -11.814   0.409   8.598
  172    HB3  GLN 154           HB1      GLN 154 -12.903  -0.205   9.833
  173    HG2  GLN 154           HG2      GLN 154  -9.931  -0.661   9.722
  174    HG3  GLN 154           HG1      GLN 154 -10.767   0.477  10.777
  175   HE21  GLN 154          1HE2      GLN 154 -12.024  -0.310  12.477
  176   HE22  GLN 154          2HE2      GLN 154 -11.827  -1.923  13.080
  177    H    VAL 155           H        VAL 155 -14.551  -2.004   9.329
  178    HA   VAL 155           HA       VAL 155 -15.978  -2.590   7.019
  179    HB   VAL 155           HB       VAL 155 -17.042  -1.104   9.434
  180   HG11  VAL 155          1HG1      VAL 155 -18.553  -1.026   7.522
  181   HG12  VAL 155          2HG1      VAL 155 -19.206  -2.050   8.803
  182   HG13  VAL 155          3HG1      VAL 155 -18.474  -2.782   7.373
  183   HG21  VAL 155          3HG2      VAL 155 -17.723  -3.333  10.237
  184   HG22  VAL 155          1HG2      VAL 155 -15.973  -3.144  10.140
  185   HG23  VAL 155          2HG2      VAL 155 -16.830  -4.062   8.903
  186    H    ASN 156           H        ASN 156 -15.342   0.534   8.546
  187    HA   ASN 156           HA       ASN 156 -16.889   2.059   6.762
  188    HB2  ASN 156           HB2      ASN 156 -14.649   2.749   8.644
  189    HB3  ASN 156           HB1      ASN 156 -15.346   3.966   7.581
  190   HD21  ASN 156          1HD2      ASN 156 -16.122   5.169   9.264
  191   HD22  ASN 156          2HD2      ASN 156 -17.475   4.674  10.228
  192    H    THR 157           H        THR 157 -13.504   1.058   6.719
  193    HA   THR 157           HA       THR 157 -12.671   2.627   4.535
  194    HB   THR 157           HB       THR 157 -11.593  -0.108   5.241
  195    HG1  THR 157           HG1      THR 157 -10.268   0.974   6.749
  196   HG21  THR 157          3HG2      THR 157  -9.487   0.804   4.413
  197   HG22  THR 157          1HG2      THR 157 -10.270   2.350   4.080
  198   HG23  THR 157          2HG2      THR 157 -10.736   0.910   3.174
  199    H    LEU 158           H        LEU 158 -13.913  -0.690   4.740
  200    HA   LEU 158           HA       LEU 158 -13.836  -1.334   2.016
  201    HB2  LEU 158           HB2      LEU 158 -15.757  -2.233   4.165
  202    HB3  LEU 158           HB1      LEU 158 -15.626  -2.973   2.582
  203    HG   LEU 158           HG       LEU 158 -13.315  -2.842   4.513
  204   HD11  LEU 158          1HD1      LEU 158 -15.148  -4.089   5.539
  205   HD12  LEU 158          2HD1      LEU 158 -13.825  -5.159   5.075
  206   HD13  LEU 158          3HD1      LEU 158 -15.285  -5.083   4.090
  207   HD21  LEU 158          3HD2      LEU 158 -13.854  -4.517   2.063
  208   HD22  LEU 158          1HD2      LEU 158 -12.444  -4.658   3.112
  209   HD23  LEU 158          2HD2      LEU 158 -12.706  -3.183   2.182
  210    H    ARG 159           H        ARG 159 -16.417   0.102   3.968
  211    HA   ARG 159           HA       ARG 159 -18.305   0.386   1.896
  212    HB2  ARG 159           HB2      ARG 159 -17.917   1.839   4.508
  213    HB3  ARG 159           HB1      ARG 159 -19.279   2.155   3.445
  214    HG2  ARG 159           HG2      ARG 159 -20.128  -0.037   3.736
  215    HG3  ARG 159           HG1      ARG 159 -18.644  -0.575   4.526
  216    HD2  ARG 159           HD2      ARG 159 -20.459  -0.195   6.137
  217    HD3  ARG 159           HD1      ARG 159 -19.088   0.879   6.413
  218    HE   ARG 159           HE       ARG 159 -21.270   1.944   4.794
  219   HH11  ARG 159          1HH1      ARG 159 -19.751   1.726   7.940
  220   HH12  ARG 159          2HH1      ARG 159 -20.538   3.133   8.576
  221   HH21  ARG 159          1HH2      ARG 159 -22.318   3.817   5.624
  222   HH22  ARG 159          2HH2      ARG 159 -21.982   4.342   7.251
  223    H    ARG 160           H        ARG 160 -15.658   2.410   2.991
  224    HA   ARG 160           HA       ARG 160 -16.338   4.743   1.557
  225    HB2  ARG 160           HB2      ARG 160 -14.730   4.713   3.413
  226    HB3  ARG 160           HB1      ARG 160 -13.623   3.763   2.444
  227    HG2  ARG 160           HG2      ARG 160 -13.194   5.542   0.981
  228    HG3  ARG 160           HG1      ARG 160 -14.575   6.468   1.572
  229    HD2  ARG 160           HD2      ARG 160 -12.246   5.735   3.322
  230    HD3  ARG 160           HD1      ARG 160 -12.279   7.211   2.358
  231    HE   ARG 160           HE       ARG 160 -14.305   6.591   4.421
  232   HH11  ARG 160          1HH1      ARG 160 -12.078   8.785   2.843
  233   HH12  ARG 160          2HH1      ARG 160 -12.567  10.168   3.778
  234   HH21  ARG 160          1HH2      ARG 160 -14.966   8.399   5.657
  235   HH22  ARG 160          2HH2      ARG 160 -14.213   9.946   5.388
  236    H    TYR 161           H        TYR 161 -14.099   2.081   0.832
  237    HA   TYR 161           HA       TYR 161 -13.332   2.783  -1.724
  238    HB2  TYR 161           HB2      TYR 161 -12.428   0.819  -0.583
  239    HB3  TYR 161           HB1      TYR 161 -13.990   0.015  -0.683
  240    HD1  TYR 161           HD1      TYR 161 -11.086   1.180  -2.639
  241    HD2  TYR 161           HD2      TYR 161 -14.683  -1.091  -2.681
  242    HE1  TYR 161           HE1      TYR 161 -10.454   0.224  -4.815
  243    HE2  TYR 161           HE2      TYR 161 -14.059  -2.051  -4.854
  244    HH   TYR 161           HH       TYR 161 -10.953  -1.774  -6.168
  245    H    LYS 162           H        LYS 162 -16.248   1.026  -0.731
  246    HA   LYS 162           HA       LYS 162 -17.258   0.631  -3.338
  247    HB2  LYS 162           HB2      LYS 162 -18.810   0.802  -0.754
  248    HB3  LYS 162           HB1      LYS 162 -19.370   0.083  -2.256
  249    HG2  LYS 162           HG2      LYS 162 -17.563  -1.593  -2.078
  250    HG3  LYS 162           HG1      LYS 162 -17.128  -0.901  -0.512
  251    HD2  LYS 162           HD2      LYS 162 -18.522  -2.585   0.169
  252    HD3  LYS 162           HD1      LYS 162 -19.683  -1.271  -0.012
  253    HE2  LYS 162           HE2      LYS 162 -19.116  -3.478  -1.982
  254    HE3  LYS 162           HE1      LYS 162 -20.572  -3.272  -1.015
  255    HZ1  LYS 162           HZ1      LYS 162 -20.981  -1.183  -2.220
  256    HZ2  LYS 162           HZ2      LYS 162 -20.978  -2.530  -3.242
  257    HZ3  LYS 162           HZ3      LYS 162 -19.640  -1.495  -3.202
  258    H    ARG 163           H        ARG 163 -17.587   3.270  -1.047
  259    HA   ARG 163           HA       ARG 163 -19.760   4.510  -2.429
  260    HB2  ARG 163           HB2      ARG 163 -19.272   4.781   0.012
  261    HB3  ARG 163           HB1      ARG 163 -17.879   5.760  -0.425
  262    HG2  ARG 163           HG2      ARG 163 -19.745   7.173   0.181
  263    HG3  ARG 163           HG1      ARG 163 -19.373   7.362  -1.534
  264    HD2  ARG 163           HD2      ARG 163 -21.194   5.848  -2.109
  265    HD3  ARG 163           HD1      ARG 163 -21.553   5.615  -0.401
  266    HE   ARG 163           HE       ARG 163 -21.685   8.358  -0.986
  267   HH11  ARG 163          1HH1      ARG 163 -23.389   5.372  -1.657
  268   HH12  ARG 163          2HH1      ARG 163 -24.924   6.151  -1.888
  269   HH21  ARG 163          1HH2      ARG 163 -23.703   9.394  -1.299
  270   HH22  ARG 163          2HH2      ARG 163 -25.112   8.443  -1.666
  271    H    HIS 164           H        HIS 164 -16.260   4.973  -2.348
  272    HA   HIS 164           HA       HIS 164 -16.331   7.312  -4.000
  273    HB2  HIS 164           HB2      HIS 164 -14.141   5.545  -2.975
  274    HB3  HIS 164           HB1      HIS 164 -13.800   6.722  -4.239
  275    HD1  HIS 164           HD1      HIS 164 -12.848   8.778  -3.284
  276    HD2  HIS 164           HD2      HIS 164 -15.662   7.061  -0.751
  277    HE1  HIS 164           HE1      HIS 164 -12.976  10.298  -1.282
  278    HE2  HIS 164           HE2      HIS 164 -14.882   9.376   0.096
  279    H    PHE 165           H        PHE 165 -15.617   3.887  -4.574
  280    HA   PHE 165           HA       PHE 165 -15.204   4.393  -7.392
  281    HB2  PHE 165           HB2      PHE 165 -15.013   1.956  -5.659
  282    HB3  PHE 165           HB1      PHE 165 -15.084   1.787  -7.411
  283    HD1  PHE 165           HD2      PHE 165 -13.149   3.288  -4.637
  284    HD2  PHE 165           HD1      PHE 165 -13.209   2.209  -8.752
  285    HE1  PHE 165           HE2      PHE 165 -10.735   3.742  -4.791
  286    HE2  PHE 165           HE1      PHE 165 -10.796   2.658  -8.911
  287    HZ   PHE 165           HZ       PHE 165  -9.557   3.427  -6.929
  288    H    LYS 166           H        LYS 166 -17.858   4.185  -5.533
  289    HA   LYS 166           HA       LYS 166 -20.074   3.925  -5.902
  290    HB2  LYS 166           HB2      LYS 166 -19.306   4.105  -8.818
  291    HB3  LYS 166           HB1      LYS 166 -20.911   4.369  -8.150
  292    HG2  LYS 166           HG2      LYS 166 -18.478   6.037  -7.546
  293    HG3  LYS 166           HG1      LYS 166 -19.758   6.465  -8.682
  294    HD2  LYS 166           HD2      LYS 166 -21.368   6.605  -6.922
  295    HD3  LYS 166           HD1      LYS 166 -20.234   5.920  -5.757
  296    HE2  LYS 166           HE2      LYS 166 -20.451   8.344  -5.497
  297    HE3  LYS 166           HE1      LYS 166 -18.813   7.875  -5.950
  298    HZ1  LYS 166           HZ1      LYS 166 -20.888   8.991  -7.754
  299    HZ2  LYS 166           HZ2      LYS 166 -19.350   8.471  -8.248
  300    HZ3  LYS 166           HZ3      LYS 166 -19.500   9.787  -7.196
  301    H    LEU 167           H        LEU 167 -19.732   1.727  -5.068
  302    HA   LEU 167           HA       LEU 167 -20.171  -0.320  -7.153
  303    HB2  LEU 167           HB2      LEU 167 -19.053  -0.691  -4.374
  304    HB3  LEU 167           HB1      LEU 167 -19.256  -1.947  -5.577
  305    HG   LEU 167           HG       LEU 167 -17.350   0.385  -5.733
  306   HD11  LEU 167          1HD1      LEU 167 -15.635  -1.348  -5.601
  307   HD12  LEU 167          2HD1      LEU 167 -16.887  -2.577  -5.422
  308   HD13  LEU 167          3HD1      LEU 167 -16.667  -1.352  -4.172
  309   HD21  LEU 167          3HD2      LEU 167 -17.806  -1.866  -7.690
  310   HD22  LEU 167          1HD2      LEU 167 -16.543  -0.639  -7.795
  311   HD23  LEU 167          2HD2      LEU 167 -18.238  -0.174  -7.941
  312    HA   PRO 168           HA       PRO 168 -24.297  -0.880  -5.612
  313    HB2  PRO 168           HB2      PRO 168 -23.875  -3.680  -6.511
  314    HB3  PRO 168           HB1      PRO 168 -25.144  -2.534  -6.957
  315    HG2  PRO 168           HG2      PRO 168 -23.190  -3.125  -8.663
  316    HG3  PRO 168           HG1      PRO 168 -23.813  -1.468  -8.529
  317    HD2  PRO 168           HD2      PRO 168 -21.292  -2.645  -7.427
  318    HD3  PRO 168           HD1      PRO 168 -21.567  -1.049  -8.158
  319    H    THR 169           H        THR 169 -25.447  -2.069  -3.999
  320    HA   THR 169           HA       THR 169 -23.829  -3.791  -2.269
  321    HB   THR 169           HB       THR 169 -24.813  -2.528  -0.272
  322    HG1  THR 169           HG1      THR 169 -26.283  -1.248  -1.540
  323   HG21  THR 169          3HG2      THR 169 -22.789  -1.067  -1.968
  324   HG22  THR 169          1HG2      THR 169 -22.431  -2.456  -0.935
  325   HG23  THR 169          2HG2      THR 169 -22.992  -0.940  -0.220
  326    H    ARG 170           H        ARG 170 -24.987  -5.614  -2.416
  327    HA   ARG 170           HA       ARG 170 -27.795  -5.801  -2.555
  328    HB2  ARG 170           HB2      ARG 170 -27.495  -8.150  -2.125
  329    HB3  ARG 170           HB1      ARG 170 -26.167  -7.620  -3.149
  330    HG2  ARG 170           HG2      ARG 170 -24.726  -7.469  -1.154
  331    HG3  ARG 170           HG1      ARG 170 -26.058  -8.085  -0.175
  332    HD2  ARG 170           HD2      ARG 170 -24.608  -9.914  -0.671
  333    HD3  ARG 170           HD1      ARG 170 -26.078 -10.117  -1.624
  334    HE   ARG 170           HE       ARG 170 -24.776  -9.176  -3.526
  335   HH11  ARG 170          1HH1      ARG 170 -23.126 -10.689  -0.829
  336   HH12  ARG 170          2HH1      ARG 170 -21.719 -11.109  -1.769
  337   HH21  ARG 170          1HH2      ARG 170 -22.938  -9.738  -4.755
  338   HH22  ARG 170          2HH2      ARG 170 -21.612 -10.561  -3.977
  339    HA   PRO 171           HA       PRO 171 -29.086  -5.087   1.642
  340    HB2  PRO 171           HB2      PRO 171 -31.032  -7.284   1.290
  341    HB3  PRO 171           HB1      PRO 171 -31.312  -5.575   1.641
  342    HG2  PRO 171           HG2      PRO 171 -31.869  -6.614  -0.768
  343    HG3  PRO 171           HG1      PRO 171 -31.239  -4.966  -0.588
  344    HD2  PRO 171           HD2      PRO 171 -29.806  -7.464  -1.402
  345    HD3  PRO 171           HD1      PRO 171 -29.652  -5.814  -2.043
  346    H    GLY 172           H        GLY 172 -28.160  -5.779   3.461
  347    HA2  GLY 172           HA2      GLY 172 -27.846  -7.424   5.163
  348    HA3  GLY 172           HA1      GLY 172 -27.929  -8.671   3.927
  349    H    LEU 173           H        LEU 173 -25.989  -5.737   4.477
  350    HA   LEU 173           HA       LEU 173 -23.669  -7.071   3.390
  351    HB2  LEU 173           HB2      LEU 173 -24.032  -4.311   4.534
  352    HB3  LEU 173           HB1      LEU 173 -22.515  -4.915   3.894
  353    HG   LEU 173           HG       LEU 173 -25.069  -4.545   2.327
  354   HD11  LEU 173          1HD1      LEU 173 -23.796  -2.775   1.188
  355   HD12  LEU 173          2HD1      LEU 173 -22.467  -3.020   2.323
  356   HD13  LEU 173          3HD1      LEU 173 -24.027  -2.434   2.903
  357   HD21  LEU 173          3HD2      LEU 173 -23.721  -5.115   0.375
  358   HD22  LEU 173          1HD2      LEU 173 -23.745  -6.449   1.528
  359   HD23  LEU 173          2HD2      LEU 173 -22.324  -5.410   1.412
  360    H    ASN 174           H        ASN 174 -21.849  -7.630   4.427
  361    HA   ASN 174           HA       ASN 174 -21.668  -7.326   7.330
  362    HB2  ASN 174           HB2      ASN 174 -21.556  -9.930   5.800
  363    HB3  ASN 174           HB1      ASN 174 -20.804  -9.748   7.382
  364   HD21  ASN 174          1HD2      ASN 174 -22.094  -9.500   9.194
  365   HD22  ASN 174          2HD2      ASN 174 -23.788  -9.865   9.178
  366    H    LYS 175           H        LYS 175 -19.365  -8.386   7.938
  367    HA   LYS 175           HA       LYS 175 -17.428  -6.710   6.820
  368    HB2  LYS 175           HB2      LYS 175 -17.266  -7.823   9.036
  369    HB3  LYS 175           HB1      LYS 175 -16.979  -9.351   8.217
  370    HG2  LYS 175           HG2      LYS 175 -14.876  -8.531   8.926
  371    HG3  LYS 175           HG1      LYS 175 -14.952  -8.312   7.177
  372    HD2  LYS 175           HD2      LYS 175 -15.475  -5.967   7.454
  373    HD3  LYS 175           HD1      LYS 175 -15.543  -6.158   9.206
  374    HE2  LYS 175           HE2      LYS 175 -13.426  -5.219   8.742
  375    HE3  LYS 175           HE1      LYS 175 -13.137  -6.924   9.086
  376    HZ1  LYS 175           HZ1      LYS 175 -13.165  -5.598   6.442
  377    HZ2  LYS 175           HZ2      LYS 175 -13.165  -7.278   6.633
  378    HZ3  LYS 175           HZ3      LYS 175 -11.862  -6.362   7.208
  379    H    ALA 176           H        ALA 176 -17.906 -10.208   6.306
  380    HA   ALA 176           HA       ALA 176 -15.884 -10.425   4.331
  381    HB1  ALA 176           HB1      ALA 176 -18.229 -12.248   4.828
  382    HB2  ALA 176           HB2      ALA 176 -16.674 -12.329   5.653
  383    HB3  ALA 176           HB3      ALA 176 -16.770 -12.644   3.921
  384    H    GLN 177           H        GLN 177 -19.240  -9.513   4.194
  385    HA   GLN 177           HA       GLN 177 -19.648 -10.011   1.422
  386    HB2  GLN 177           HB2      GLN 177 -21.034  -8.122   3.340
  387    HB3  GLN 177           HB1      GLN 177 -21.555  -8.381   1.680
  388    HG2  GLN 177           HG2      GLN 177 -21.404 -10.510   3.804
  389    HG3  GLN 177           HG1      GLN 177 -22.869  -9.663   3.306
  390   HE21  GLN 177          1HE2      GLN 177 -20.509 -12.047   2.463
  391   HE22  GLN 177          2HE2      GLN 177 -21.349 -12.698   1.098
  392    H    LEU 178           H        LEU 178 -18.725  -7.147   3.284
  393    HA   LEU 178           HA       LEU 178 -18.475  -5.412   1.081
  394    HB2  LEU 178           HB2      LEU 178 -17.040  -5.367   3.738
  395    HB3  LEU 178           HB1      LEU 178 -17.091  -4.038   2.595
  396    HG   LEU 178           HG       LEU 178 -19.495  -5.202   4.002
  397   HD11  LEU 178          1HD1      LEU 178 -18.041  -2.606   4.485
  398   HD12  LEU 178          2HD1      LEU 178 -17.982  -4.028   5.528
  399   HD13  LEU 178          3HD1      LEU 178 -19.501  -3.161   5.308
  400   HD21  LEU 178          3HD2      LEU 178 -19.202  -2.784   2.222
  401   HD22  LEU 178          1HD2      LEU 178 -20.660  -3.234   3.109
  402   HD23  LEU 178          2HD2      LEU 178 -20.051  -4.278   1.825
  403    H    VAL 179           H        VAL 179 -16.184  -7.554   2.724
  404    HA   VAL 179           HA       VAL 179 -13.888  -6.833   1.307
  405    HB   VAL 179           HB       VAL 179 -14.638  -9.442   2.633
  406   HG11  VAL 179          1HG1      VAL 179 -11.957  -8.579   1.560
  407   HG12  VAL 179          2HG1      VAL 179 -12.965  -9.874   0.917
  408   HG13  VAL 179          3HG1      VAL 179 -12.262 -10.022   2.527
  409   HG21  VAL 179          3HG2      VAL 179 -12.848  -7.168   3.475
  410   HG22  VAL 179          1HG2      VAL 179 -13.102  -8.660   4.381
  411   HG23  VAL 179          2HG2      VAL 179 -14.441  -7.539   4.134
  412    H    GLU 180           H        GLU 180 -16.380  -9.269   0.569
  413    HA   GLU 180           HA       GLU 180 -14.972 -10.351  -1.630
  414    HB2  GLU 180           HB2      GLU 180 -16.891 -11.623  -2.119
  415    HB3  GLU 180           HB1      GLU 180 -16.805 -11.500  -0.369
  416    HG2  GLU 180           HG2      GLU 180 -18.533  -9.909  -0.305
  417    HG3  GLU 180           HG1      GLU 180 -18.474  -9.708  -2.053
  418    H    ILE 181           H        ILE 181 -17.476  -7.864  -1.413
  419    HA   ILE 181           HA       ILE 181 -17.640  -7.420  -4.212
  420    HB   ILE 181           HB       ILE 181 -18.201  -5.400  -2.027
  421   HG12  ILE 181          2HG1      ILE 181 -20.108  -7.317  -3.396
  422   HG13  ILE 181          1HG1      ILE 181 -19.498  -7.514  -1.757
  423   HG21  ILE 181          1HG2      ILE 181 -17.991  -4.369  -4.200
  424   HG22  ILE 181          2HG2      ILE 181 -19.696  -4.408  -3.747
  425   HG23  ILE 181          3HG2      ILE 181 -19.066  -5.569  -4.914
  426   HD11  ILE 181          3HD1      ILE 181 -20.608  -5.437  -1.097
  427   HD12  ILE 181          1HD1      ILE 181 -21.752  -6.601  -1.766
  428   HD13  ILE 181          2HD1      ILE 181 -21.209  -5.237  -2.741
  429    H    VAL 182           H        VAL 182 -15.806  -5.770  -1.640
  430    HA   VAL 182           HA       VAL 182 -14.512  -3.884  -3.248
  431    HB   VAL 182           HB       VAL 182 -13.616  -5.181  -0.669
  432   HG11  VAL 182          1HG1      VAL 182 -11.638  -4.416  -1.884
  433   HG12  VAL 182          2HG1      VAL 182 -11.951  -3.400  -0.477
  434   HG13  VAL 182          3HG1      VAL 182 -12.375  -2.824  -2.088
  435   HG21  VAL 182          3HG2      VAL 182 -14.222  -3.019   0.306
  436   HG22  VAL 182          1HG2      VAL 182 -15.598  -3.786  -0.485
  437   HG23  VAL 182          2HG2      VAL 182 -14.752  -2.458  -1.280
  438    H    GLY 183           H        GLY 183 -13.462  -7.147  -2.282
  439    HA2  GLY 183           HA2      GLY 183 -10.958  -7.055  -3.558
  440    HA3  GLY 183           HA1      GLY 183 -11.817  -8.514  -3.092
  441    H    CYS 184           H        CYS 184 -14.108  -8.101  -4.667
  442    HA   CYS 184           HA       CYS 184 -13.357  -9.276  -7.085
  443    HB2  CYS 184           HB2      CYS 184 -15.616  -9.464  -6.107
  444    HB3  CYS 184           HB1      CYS 184 -15.902  -7.762  -6.450
  445    HG   CYS 184           HG       CYS 184 -15.524 -10.270  -8.749
  446    H    HIS 185           H        HIS 185 -14.236  -5.911  -6.345
  447    HA   HIS 185           HA       HIS 185 -13.723  -5.085  -9.070
  448    HB2  HIS 185           HB2      HIS 185 -15.501  -4.053  -7.639
  449    HB3  HIS 185           HB1      HIS 185 -14.230  -3.351  -6.645
  450    HD1  HIS 185           HD1      HIS 185 -13.017  -1.296  -7.543
  451    HD2  HIS 185           HD2      HIS 185 -15.766  -2.902 -10.220
  452    HE1  HIS 185           HE1      HIS 185 -13.283   0.424  -9.361
  453    HE2  HIS 185           HE2      HIS 185 -14.864  -0.614 -11.028
  454    H    PHE 186           H        PHE 186 -11.963  -5.232  -6.082
  455    HA   PHE 186           HA       PHE 186 -10.043  -3.240  -6.603
  456    HB2  PHE 186           HB2      PHE 186 -10.546  -4.279  -4.371
  457    HB3  PHE 186           HB1      PHE 186  -9.681  -5.715  -4.910
  458    HD1  PHE 186           HD1      PHE 186  -9.147  -2.032  -4.827
  459    HD2  PHE 186           HD2      PHE 186  -7.527  -5.910  -4.187
  460    HE1  PHE 186           HE1      PHE 186  -7.044  -1.022  -4.083
  461    HE2  PHE 186           HE2      PHE 186  -5.413  -4.905  -3.442
  462    HZ   PHE 186           HZ       PHE 186  -5.164  -2.456  -3.388
  463    H    LYS 187           H        LYS 187 -10.220  -6.662  -7.419
  464    HA   LYS 187           HA       LYS 187  -7.541  -6.721  -8.476
  465    HB2  LYS 187           HB2      LYS 187  -9.844  -8.652  -8.631
  466    HB3  LYS 187           HB1      LYS 187  -8.329  -8.929  -9.476
  467    HG2  LYS 187           HG2      LYS 187  -7.159  -8.770  -7.272
  468    HG3  LYS 187           HG1      LYS 187  -8.751  -8.720  -6.505
  469    HD2  LYS 187           HD2      LYS 187  -9.304 -10.889  -7.420
  470    HD3  LYS 187           HD1      LYS 187  -7.788 -10.929  -8.322
  471    HE2  LYS 187           HE2      LYS 187  -7.585 -12.308  -6.357
  472    HE3  LYS 187           HE1      LYS 187  -6.558 -10.884  -6.182
  473    HZ1  LYS 187           HZ1      LYS 187  -7.854 -11.477  -4.167
  474    HZ2  LYS 187           HZ2      LYS 187  -9.279 -11.109  -5.015
  475    HZ3  LYS 187           HZ3      LYS 187  -8.132  -9.895  -4.718
  476    H    SER 188           H        SER 188  -9.926  -4.947  -9.561
  477    HA   SER 188           HA       SER 188  -9.148  -5.344 -12.358
  478    HB2  SER 188           HB2      SER 188 -11.560  -4.816 -12.983
  479    HB3  SER 188           HB1      SER 188 -11.271  -6.406 -12.280
  480    HG   SER 188           HG       SER 188 -11.843  -4.419 -10.454
  481    H    ILE 189           H        ILE 189  -8.125  -3.440 -10.526
  482    HA   ILE 189           HA       ILE 189  -9.302  -0.921 -11.464
  483    HB   ILE 189           HB       ILE 189  -7.285  -1.445  -9.273
  484   HG12  ILE 189          2HG1      ILE 189 -10.150  -0.473  -9.150
  485   HG13  ILE 189          1HG1      ILE 189  -9.597  -2.084  -8.704
  486   HG21  ILE 189          1HG2      ILE 189  -8.462   1.160 -10.230
  487   HG22  ILE 189          2HG2      ILE 189  -6.774   0.659 -10.324
  488   HG23  ILE 189          3HG2      ILE 189  -7.517   0.960  -8.754
  489   HD11  ILE 189          3HD1      ILE 189  -9.956  -0.707  -6.744
  490   HD12  ILE 189          1HD1      ILE 189  -8.818   0.492  -7.356
  491   HD13  ILE 189          2HD1      ILE 189  -8.250  -1.118  -6.911
  492    HA   PRO 190           HA       PRO 190  -5.875  -0.860 -14.399
  493    HB2  PRO 190           HB2      PRO 190  -6.619   1.489 -15.571
  494    HB3  PRO 190           HB1      PRO 190  -7.330  -0.076 -15.985
  495    HG2  PRO 190           HG2      PRO 190  -8.388   2.076 -14.202
  496    HG3  PRO 190           HG1      PRO 190  -9.252   1.062 -15.371
  497    HD2  PRO 190           HD2      PRO 190  -9.303   0.593 -12.701
  498    HD3  PRO 190           HD1      PRO 190  -9.415  -0.707 -13.905
  499    H    VAL 191           H        VAL 191  -3.964  -0.333 -13.552
  500    HA   VAL 191           HA       VAL 191  -3.709   2.278 -12.201
  501    HB   VAL 191           HB       VAL 191  -3.538   0.196 -10.769
  502   HG11  VAL 191          1HG1      VAL 191  -0.926  -0.135 -12.225
  503   HG12  VAL 191          2HG1      VAL 191  -2.317  -1.217 -12.307
  504   HG13  VAL 191          3HG1      VAL 191  -1.432  -1.033 -10.793
  505   HG21  VAL 191          3HG2      VAL 191  -2.693   2.321  -9.996
  506   HG22  VAL 191          1HG2      VAL 191  -1.162   2.042 -10.832
  507   HG23  VAL 191          2HG2      VAL 191  -1.631   1.011  -9.478
  508    H    ASN 192           H        ASN 192  -1.663   3.364 -12.395
  509    HA   ASN 192           HA       ASN 192  -0.161   2.626 -14.829
  510    HB2  ASN 192           HB2      ASN 192  -0.788   5.383 -13.743
  511    HB3  ASN 192           HB1      ASN 192   0.310   5.073 -15.077
  512   HD21  ASN 192          1HD2      ASN 192  -0.866   6.301 -16.494
  513   HD22  ASN 192          2HD2      ASN 192  -2.410   5.804 -17.117
  514    H    GLU 193           H        GLU 193   1.832   1.932 -14.287
  515    HA   GLU 193           HA       GLU 193   2.838   1.917 -11.724
  516    HB2  GLU 193           HB2      GLU 193   3.630   0.470 -13.538
  517    HB3  GLU 193           HB1      GLU 193   4.465   1.841 -14.256
  518    HG2  GLU 193           HG2      GLU 193   5.803   2.037 -12.171
  519    HG3  GLU 193           HG1      GLU 193   5.036   0.557 -11.597
  520    H    LYS 194           H        LYS 194   4.225   3.961 -14.316
  521    HA   LYS 194           HA       LYS 194   5.895   5.423 -12.620
  522    HB2  LYS 194           HB2      LYS 194   6.308   5.416 -14.975
  523    HB3  LYS 194           HB1      LYS 194   4.728   6.099 -15.319
  524    HG2  LYS 194           HG2      LYS 194   6.531   7.712 -13.620
  525    HG3  LYS 194           HG1      LYS 194   6.973   7.538 -15.319
  526    HD2  LYS 194           HD2      LYS 194   4.780   8.360 -15.987
  527    HD3  LYS 194           HD1      LYS 194   4.300   8.494 -14.296
  528    HE2  LYS 194           HE2      LYS 194   6.578  10.001 -15.573
  529    HE3  LYS 194           HE1      LYS 194   4.964  10.655 -15.304
  530    HZ1  LYS 194           HZ1      LYS 194   5.327  10.178 -12.890
  531    HZ2  LYS 194           HZ2      LYS 194   6.320  11.386 -13.532
  532    HZ3  LYS 194           HZ3      LYS 194   6.949   9.834 -13.253
  533    H    ASP 195           H        ASP 195   2.640   6.220 -13.796
  534    HA   ASP 195           HA       ASP 195   2.613   8.816 -12.670
  535    HB2  ASP 195           HB2      ASP 195   1.138   8.154 -14.521
  536    HB3  ASP 195           HB1      ASP 195   0.272   7.069 -13.438
  537    H    THR 196           H        THR 196   1.316   5.715 -11.497
  538    HA   THR 196           HA       THR 196   0.003   6.880  -9.265
  539    HB   THR 196           HB       THR 196   0.835   4.012  -9.730
  540    HG1  THR 196           HG1      THR 196  -1.062   5.570 -10.838
  541   HG21  THR 196          3HG2      THR 196  -0.879   3.454  -8.075
  542   HG22  THR 196          1HG2      THR 196  -1.181   5.169  -7.799
  543   HG23  THR 196          2HG2      THR 196   0.377   4.467  -7.364
  544    H    LEU 197           H        LEU 197   3.189   5.372  -9.717
  545    HA   LEU 197           HA       LEU 197   4.008   5.479  -7.032
  546    HB2  LEU 197           HB2      LEU 197   5.642   5.781  -9.552
  547    HB3  LEU 197           HB1      LEU 197   6.331   5.612  -7.949
  548    HG   LEU 197           HG       LEU 197   4.727   3.555  -9.464
  549   HD11  LEU 197          1HD1      LEU 197   7.589   3.622  -8.518
  550   HD12  LEU 197          2HD1      LEU 197   7.030   3.740 -10.188
  551   HD13  LEU 197          3HD1      LEU 197   6.798   2.243  -9.285
  552   HD21  LEU 197          3HD2      LEU 197   4.119   3.504  -7.103
  553   HD22  LEU 197          1HD2      LEU 197   5.821   3.419  -6.658
  554   HD23  LEU 197          2HD2      LEU 197   5.074   2.088  -7.542
  555    H    THR 198           H        THR 198   4.274   7.845  -9.650
  556    HA   THR 198           HA       THR 198   5.628   9.858  -8.264
  557    HB   THR 198           HB       THR 198   3.546  10.215 -10.438
  558    HG1  THR 198           HG1      THR 198   5.247   8.767 -11.032
  559   HG21  THR 198          3HG2      THR 198   5.867  11.968  -9.615
  560   HG22  THR 198          1HG2      THR 198   4.161  12.311  -9.327
  561   HG23  THR 198          2HG2      THR 198   4.783  12.258 -10.976
  562    H    CYS 199           H        CYS 199   2.153   9.287  -8.667
  563    HA   CYS 199           HA       CYS 199   1.200  11.512  -7.271
  564    HB2  CYS 199           HB2      CYS 199   0.002   9.595  -8.680
  565    HB3  CYS 199           HB1      CYS 199  -0.267   8.917  -7.074
  566    HG   CYS 199           HG       CYS 199  -1.936  10.784  -6.159
  567    H    PHE 200           H        PHE 200   1.881   8.221  -6.151
  568    HA   PHE 200           HA       PHE 200   1.065   8.611  -3.486
  569    HB2  PHE 200           HB2      PHE 200   1.270   6.394  -4.458
  570    HB3  PHE 200           HB1      PHE 200   3.006   6.620  -4.672
  571    HD1  PHE 200           HD1      PHE 200   0.438   6.740  -1.971
  572    HD2  PHE 200           HD2      PHE 200   4.404   5.692  -3.104
  573    HE1  PHE 200           HE1      PHE 200   0.822   5.781   0.262
  574    HE2  PHE 200           HE2      PHE 200   4.790   4.729  -0.875
  575    HZ   PHE 200           HZ       PHE 200   2.996   4.776   0.807
  576    H    ILE 201           H        ILE 201   4.281   8.737  -5.001
  577    HA   ILE 201           HA       ILE 201   5.760   9.095  -2.673
  578    HB   ILE 201           HB       ILE 201   6.341  10.063  -5.474
  579   HG12  ILE 201          2HG1      ILE 201   7.397   7.705  -3.899
  580   HG13  ILE 201          1HG1      ILE 201   6.171   7.618  -5.160
  581   HG21  ILE 201          1HG2      ILE 201   8.668  10.333  -4.766
  582   HG22  ILE 201          2HG2      ILE 201   8.206   9.959  -3.106
  583   HG23  ILE 201          3HG2      ILE 201   7.595  11.420  -3.884
  584   HD11  ILE 201          3HD1      ILE 201   7.823   8.460  -6.780
  585   HD12  ILE 201          1HD1      ILE 201   8.304   6.933  -6.038
  586   HD13  ILE 201          2HD1      ILE 201   9.042   8.445  -5.506
  587    H    TYR 202           H        TYR 202   4.238  11.525  -4.786
  588    HA   TYR 202           HA       TYR 202   5.298  13.736  -3.328
  589    HB2  TYR 202           HB2      TYR 202   3.237  13.446  -5.478
  590    HB3  TYR 202           HB1      TYR 202   3.355  14.964  -4.590
  591    HD1  TYR 202           HD1      TYR 202   5.782  15.951  -4.406
  592    HD2  TYR 202           HD2      TYR 202   4.539  13.176  -7.383
  593    HE1  TYR 202           HE1      TYR 202   7.644  16.663  -5.840
  594    HE2  TYR 202           HE2      TYR 202   6.405  13.881  -8.823
  595    HH   TYR 202           HH       TYR 202   7.866  15.846  -9.113
  596    H    SER 203           H        SER 203   2.321  11.884  -3.162
  597    HA   SER 203           HA       SER 203   0.890  13.584  -1.456
  598    HB2  SER 203           HB2      SER 203   0.816  10.573  -1.729
  599    HB3  SER 203           HB1      SER 203  -0.356  11.514  -0.812
  600    HG   SER 203           HG       SER 203   0.118  11.495  -3.599
  601    H    VAL 204           H        VAL 204   3.049  10.851  -0.699
  602    HA   VAL 204           HA       VAL 204   2.723  11.134   2.117
  603    HB   VAL 204           HB       VAL 204   4.973   9.721   0.681
  604   HG11  VAL 204          1HG1      VAL 204   5.336   9.993   3.067
  605   HG12  VAL 204          2HG1      VAL 204   5.002   8.305   2.681
  606   HG13  VAL 204          3HG1      VAL 204   3.745   9.310   3.403
  607   HG21  VAL 204          3HG2      VAL 204   2.245   8.677   1.434
  608   HG22  VAL 204          1HG2      VAL 204   3.576   7.712   0.793
  609   HG23  VAL 204          2HG2      VAL 204   2.835   8.965  -0.203
  610    H    ARG 205           H        ARG 205   5.038  12.366  -0.228
  611    HA   ARG 205           HA       ARG 205   6.908  13.361   1.664
  612    HB2  ARG 205           HB2      ARG 205   6.410  13.850  -1.242
  613    HB3  ARG 205           HB1      ARG 205   7.490  14.921  -0.360
  614    HG2  ARG 205           HG2      ARG 205   8.900  13.042   0.253
  615    HG3  ARG 205           HG1      ARG 205   7.796  11.929  -0.562
  616    HD2  ARG 205           HD2      ARG 205   8.283  12.871  -2.685
  617    HD3  ARG 205           HD1      ARG 205   9.154  14.218  -1.961
  618    HE   ARG 205           HE       ARG 205  10.256  11.586  -1.442
  619   HH11  ARG 205          1HH1      ARG 205  10.299  14.442  -3.466
  620   HH12  ARG 205          2HH1      ARG 205  11.904  14.155  -4.067
  621   HH21  ARG 205          1HH2      ARG 205  12.358  11.175  -2.236
  622   HH22  ARG 205          2HH2      ARG 205  13.076  12.279  -3.383
  623    H    ASN 206           H        ASN 206   3.919  14.610   0.369
  624    HA   ASN 206           HA       ASN 206   4.278  17.296   1.255
  625    HB2  ASN 206           HB2      ASN 206   2.011  15.677   0.243
  626    HB3  ASN 206           HB1      ASN 206   1.582  17.031   1.284
  627   HD21  ASN 206          1HD2      ASN 206   2.918  16.074  -1.770
  628   HD22  ASN 206          2HD2      ASN 206   2.929  17.654  -2.487
  629    H    ASP 207           H        ASP 207   2.145  14.755   2.560
  630    HA   ASP 207           HA       ASP 207   3.133  14.798   5.159
  631    HB2  ASP 207           HB2      ASP 207   1.802  17.117   4.857
  632    HB3  ASP 207           HB1      ASP 207   0.438  16.072   5.244
  633    H    LYS 208           H        LYS 208   1.244  13.855   6.639
  634    HA   LYS 208           HA       LYS 208   0.180  11.625   5.064
  635    HB2  LYS 208           HB2      LYS 208   0.866  11.867   7.989
  636    HB3  LYS 208           HB1      LYS 208  -0.030  10.505   7.337
  637    HG2  LYS 208           HG2      LYS 208   2.181   9.762   7.449
  638    HG3  LYS 208           HG1      LYS 208   1.940  10.176   5.753
  639    HD2  LYS 208           HD2      LYS 208   2.991  12.395   6.224
  640    HD3  LYS 208           HD1      LYS 208   3.362  11.817   7.849
  641    HE2  LYS 208           HE2      LYS 208   4.632   9.944   6.833
  642    HE3  LYS 208           HE1      LYS 208   4.345  10.658   5.247
  643    HZ1  LYS 208           HZ1      LYS 208   5.483  12.685   6.078
  644    HZ2  LYS 208           HZ2      LYS 208   6.489  11.323   5.981
  645    HZ3  LYS 208           HZ3      LYS 208   5.893  11.831   7.488
  646    H    ASN 209           H        ASN 209  -1.890  11.635   4.609
  647    HA   ASN 209           HA       ASN 209  -3.759  13.467   5.628
  648    HB2  ASN 209           HB2      ASN 209  -3.983  12.361   3.427
  649    HB3  ASN 209           HB1      ASN 209  -4.273  10.826   4.237
  650   HD21  ASN 209          1HD2      ASN 209  -6.295  10.529   3.400
  651   HD22  ASN 209          2HD2      ASN 209  -7.655  11.502   3.833
  652    H    LYS 210           H        LYS 210  -4.598  13.509   7.588
  653    HA   LYS 210           HA       LYS 210  -5.722  11.181   8.821
  654    HB2  LYS 210           HB2      LYS 210  -3.314  10.910   9.357
  655    HB3  LYS 210           HB1      LYS 210  -3.322  12.490  10.126
  656    HG2  LYS 210           HG2      LYS 210  -4.864  11.690  11.815
  657    HG3  LYS 210           HG1      LYS 210  -4.945  10.114  11.021
  658    HD2  LYS 210           HD2      LYS 210  -2.595   9.737  11.440
  659    HD3  LYS 210           HD1      LYS 210  -2.419  11.359  12.106
  660    HE2  LYS 210           HE2      LYS 210  -4.161   9.189  13.266
  661    HE3  LYS 210           HE1      LYS 210  -2.548   9.606  13.842
  662    HZ1  LYS 210           HZ1      LYS 210  -4.940  11.368  13.852
  663    HZ2  LYS 210           HZ2      LYS 210  -3.379  11.860  14.303
  664    HZ3  LYS 210           HZ3      LYS 210  -4.185  10.671  15.201
  665    H    SER 211           H        SER 211  -4.291  13.962  10.451
  666    HA   SER 211           HA       SER 211  -5.134  15.807  11.446
  667    HB2  SER 211           HB2      SER 211  -7.382  15.462   9.453
  668    HB3  SER 211           HB1      SER 211  -7.083  16.911  10.409
  669    HG   SER 211           HG       SER 211  -5.668  15.879   8.226
  670    H    ASP 212           H        ASP 212  -7.425  16.699  12.366
  671    HA   ASP 212           HA       ASP 212  -9.114  14.641  13.445
  672    HB2  ASP 212           HB2      ASP 212  -8.645  15.138  15.817
  673    HB3  ASP 212           HB1      ASP 212  -7.239  14.462  15.004
  674    H    LEU 213           H        LEU 213  -8.063  18.023  13.724
  675    HA   LEU 213           HA       LEU 213 -10.847  18.809  14.162
  676    HB2  LEU 213           HB2      LEU 213  -9.213  19.774  15.685
  677    HB3  LEU 213           HB1      LEU 213  -8.284  20.399  14.335
  678    HG   LEU 213           HG       LEU 213 -10.172  21.884  13.745
  679   HD11  LEU 213          1HD1      LEU 213 -11.986  20.544  14.680
  680   HD12  LEU 213          2HD1      LEU 213 -12.009  22.189  15.315
  681   HD13  LEU 213          3HD1      LEU 213 -11.393  20.871  16.310
  682   HD21  LEU 213          3HD2      LEU 213  -8.353  22.703  15.139
  683   HD22  LEU 213          1HD2      LEU 213  -9.193  22.143  16.584
  684   HD23  LEU 213          2HD2      LEU 213  -9.886  23.437  15.609
  685    H    LYS 214           H        LYS 214 -11.929  18.924  12.304
  686    HA   LYS 214           HA       LYS 214 -10.716  20.496  10.120
  687    HB2  LYS 214           HB2      LYS 214 -11.107  17.994   9.706
  688    HB3  LYS 214           HB1      LYS 214 -12.824  18.367   9.745
  689    HG2  LYS 214           HG2      LYS 214 -12.598  19.831   7.846
  690    HG3  LYS 214           HG1      LYS 214 -10.847  19.613   7.847
  691    HD2  LYS 214           HD2      LYS 214 -11.184  17.202   7.418
  692    HD3  LYS 214           HD1      LYS 214 -12.923  17.483   7.329
  693    HE2  LYS 214           HE2      LYS 214 -11.982  17.399   5.098
  694    HE3  LYS 214           HE1      LYS 214 -12.560  19.028   5.450
  695    HZ1  LYS 214           HZ1      LYS 214  -9.733  18.118   5.583
  696    HZ2  LYS 214           HZ2      LYS 214 -10.280  19.683   5.950
  697    HZ3  LYS 214           HZ3      LYS 214 -10.412  19.088   4.368
  698    H    ALA 215           H        ALA 215 -12.613  20.872  12.558
  699    HA   ALA 215           HA       ALA 215 -14.837  22.187  11.160
  700    HB1  ALA 215           HB1      ALA 215 -14.531  21.500  14.085
  701    HB2  ALA 215           HB2      ALA 215 -15.477  20.597  12.901
  702    HB3  ALA 215           HB3      ALA 215 -15.950  22.237  13.341
  703    H    ASP 216           H        ASP 216 -11.913  23.070  11.739
  704    HA   ASP 216           HA       ASP 216 -12.406  25.513  13.264
  705    HB2  ASP 216           HB2      ASP 216 -10.347  24.334  13.780
  706    HB3  ASP 216           HB1      ASP 216  -9.873  24.358  12.086
  707    H    SER 217           H        SER 217 -11.235  24.507  10.076
  708    HA   SER 217           HA       SER 217 -11.378  27.195   9.041
  709    HB2  SER 217           HB2      SER 217 -10.950  24.597   7.544
  710    HB3  SER 217           HB1      SER 217 -10.601  26.225   6.957
  711    HG   SER 217           HG       SER 217  -9.339  25.982   9.247
  712    H    GLY 218           H        GLY 218 -13.604  27.647   9.428
  713    HA2  GLY 218           HA2      GLY 218 -15.565  26.180   7.837
  714    HA3  GLY 218           HA1      GLY 218 -15.899  27.505   8.948
  715    H    VAL 219           H        VAL 219 -15.655  29.636   8.256
  716    HA   VAL 219           HA       VAL 219 -15.674  29.976   5.344
  717    HB   VAL 219           HB       VAL 219 -17.490  31.033   6.669
  718   HG11  VAL 219          1HG1      VAL 219 -15.281  32.724   7.824
  719   HG12  VAL 219          2HG1      VAL 219 -16.277  31.559   8.695
  720   HG13  VAL 219          3HG1      VAL 219 -17.008  33.018   8.027
  721   HG21  VAL 219          3HG2      VAL 219 -15.669  32.981   5.259
  722   HG22  VAL 219          1HG2      VAL 219 -17.375  33.251   5.622
  723   HG23  VAL 219          2HG2      VAL 219 -16.902  31.969   4.508
  724    H    HIS 220           H        HIS 220 -13.746  30.442   8.126
  725    HA   HIS 220           HA       HIS 220 -11.890  32.289   6.916
  726    HB2  HIS 220           HB2      HIS 220 -12.226  32.355   9.328
  727    HB3  HIS 220           HB1      HIS 220 -11.755  30.666   9.469
  728    HD1  HIS 220           HD1      HIS 220  -9.518  30.496  10.467
  729    HD2  HIS 220           HD2      HIS 220  -9.830  33.792   7.942
  730    HE1  HIS 220           HE1      HIS 220  -7.250  31.588  10.488
  731    HE2  HIS 220           HE2      HIS 220  -7.431  33.520   8.878
  732    H1   SER 454           HT1      SER 454  16.886  19.757 -15.031
  733    H2   SER 454           HT2      SER 454  18.008  19.308 -16.214
  734    H3   SER 454           HT3      SER 454  18.536  20.075 -14.799
  735    HA   SER 454           HA       SER 454  17.361  17.373 -15.031
  736    HB2  SER 454           HB2      SER 454  19.708  17.514 -15.731
  737    HB3  SER 454           HB1      SER 454  20.121  18.342 -14.233
  738    HG   SER 454           HG       SER 454  19.087  15.693 -14.440
  739    H    ASN 455           H        ASN 455  19.136  19.427 -12.689
  740    HA   ASN 455           HA       ASN 455  17.508  18.252 -10.565
  741    HB2  ASN 455           HB2      ASN 455  19.999  19.959 -10.464
  742    HB3  ASN 455           HB1      ASN 455  19.107  19.449  -9.033
  743   HD21  ASN 455          1HD2      ASN 455  19.058  17.251  -8.486
  744   HD22  ASN 455          2HD2      ASN 455  20.254  16.147  -9.089
  745    H    ALA 456           H        ALA 456  15.590  19.213 -10.543
  746    HA   ALA 456           HA       ALA 456  15.544  22.143 -10.214
  747    HB1  ALA 456           HB1      ALA 456  14.492  21.447 -12.321
  748    HB2  ALA 456           HB2      ALA 456  13.319  22.154 -11.210
  749    HB3  ALA 456           HB3      ALA 456  13.390  20.405 -11.421
  750    H    SER 457           H        SER 457  14.542  19.037  -9.055
  751    HA   SER 457           HA       SER 457  12.736  20.114  -7.074
  752    HB2  SER 457           HB2      SER 457  12.348  17.874  -8.060
  753    HB3  SER 457           HB1      SER 457  13.871  17.317  -7.369
  754    HG   SER 457           HG       SER 457  11.661  17.044  -6.212
  755    H    LYS 458           H        LYS 458  13.134  20.178  -4.835
  756    HA   LYS 458           HA       LYS 458  15.749  20.927  -4.084
  757    HB2  LYS 458           HB2      LYS 458  13.513  21.587  -2.994
  758    HB3  LYS 458           HB1      LYS 458  13.620  20.053  -2.141
  759    HG2  LYS 458           HG2      LYS 458  14.471  21.769  -0.716
  760    HG3  LYS 458           HG1      LYS 458  15.827  20.770  -1.245
  761    HD2  LYS 458           HD2      LYS 458  16.362  22.436  -2.973
  762    HD3  LYS 458           HD1      LYS 458  15.025  23.439  -2.412
  763    HE2  LYS 458           HE2      LYS 458  16.130  23.525  -0.176
  764    HE3  LYS 458           HE1      LYS 458  17.510  22.687  -0.884
  765    HZ1  LYS 458           HZ1      LYS 458  17.798  24.521  -2.425
  766    HZ2  LYS 458           HZ2      LYS 458  17.842  25.084  -0.828
  767    HZ3  LYS 458           HZ3      LYS 458  16.454  25.318  -1.770
  768    H    HIS 459           H        HIS 459  13.895  17.968  -3.745
  769    HA   HIS 459           HA       HIS 459  16.402  16.510  -3.469
  770    HB2  HIS 459           HB2      HIS 459  15.426  16.850  -1.150
  771    HB3  HIS 459           HB1      HIS 459  14.054  15.874  -1.670
  772    HD1  HIS 459           HD1      HIS 459  14.281  13.425  -1.278
  773    HD2  HIS 459           HD2      HIS 459  17.961  15.353  -1.348
  774    HE1  HIS 459           HE1      HIS 459  15.981  11.656  -0.730
  775    HE2  HIS 459           HE2      HIS 459  18.170  12.901  -0.560
  776    H    GLY 460           H        GLY 460  16.424  14.986  -4.970
  777    HA2  GLY 460           HA2      GLY 460  14.036  14.523  -6.522
  778    HA3  GLY 460           HA1      GLY 460  15.641  13.897  -6.859
  779    H    VAL 461           H        VAL 461  14.161  12.020  -7.398
  780    HA   VAL 461           HA       VAL 461  13.290  10.493  -5.077
  781    HB   VAL 461           HB       VAL 461  13.120   9.812  -8.021
  782   HG11  VAL 461          1HG1      VAL 461  11.493   8.121  -7.318
  783   HG12  VAL 461          2HG1      VAL 461  11.804   8.531  -5.633
  784   HG13  VAL 461          3HG1      VAL 461  13.086   7.827  -6.619
  785   HG21  VAL 461          3HG2      VAL 461  10.997  10.890  -6.168
  786   HG22  VAL 461          1HG2      VAL 461  10.765  10.422  -7.853
  787   HG23  VAL 461          2HG2      VAL 461  11.798  11.795  -7.452
  788    H    GLY 462           H        GLY 462  14.584   9.068  -4.120
  789    HA2  GLY 462           HA2      GLY 462  16.778   7.901  -5.714
  790    HA3  GLY 462           HA1      GLY 462  17.107   8.635  -4.151
  791    H    THR 463           H        THR 463  15.824   7.729  -2.298
  792    HA   THR 463           HA       THR 463  16.177   4.897  -2.261
  793    HB   THR 463           HB       THR 463  14.979   5.203   0.040
  794    HG1  THR 463           HG1      THR 463  14.600   7.211   0.640
  795   HG21  THR 463          3HG2      THR 463  17.364   4.752  -0.236
  796   HG22  THR 463          1HG2      THR 463  17.095   5.940   1.040
  797   HG23  THR 463          2HG2      THR 463  17.661   6.462  -0.548
  798    H    GLU 464           H        GLU 464  13.510   7.034  -2.830
  799    HA   GLU 464           HA       GLU 464  11.386   5.260  -2.317
  800    HB2  GLU 464           HB2      GLU 464  11.516   7.471  -4.381
  801    HB3  GLU 464           HB1      GLU 464  10.051   6.705  -3.785
  802    HG2  GLU 464           HG2      GLU 464  10.124   8.686  -2.607
  803    HG3  GLU 464           HG1      GLU 464  10.812   7.530  -1.472
  804    H    SER 465           H        SER 465  13.100   6.013  -5.346
  805    HA   SER 465           HA       SER 465  11.770   4.089  -6.922
  806    HB2  SER 465           HB2      SER 465  13.131   6.021  -7.800
  807    HB3  SER 465           HB1      SER 465  14.585   5.136  -7.338
  808    HG   SER 465           HG       SER 465  13.525   3.385  -8.702
  809    H    LEU 466           H        LEU 466  14.597   3.970  -4.859
  810    HA   LEU 466           HA       LEU 466  15.597   1.442  -5.493
  811    HB2  LEU 466           HB2      LEU 466  16.753   3.007  -4.018
  812    HB3  LEU 466           HB1      LEU 466  15.471   2.871  -2.832
  813    HG   LEU 466           HG       LEU 466  16.075   0.427  -2.617
  814   HD11  LEU 466          1HD1      LEU 466  18.316  -0.220  -3.343
  815   HD12  LEU 466          2HD1      LEU 466  18.497   1.331  -4.163
  816   HD13  LEU 466          3HD1      LEU 466  17.278   0.180  -4.711
  817   HD21  LEU 466          3HD2      LEU 466  17.997   0.879  -1.169
  818   HD22  LEU 466          1HD2      LEU 466  16.721   2.078  -0.953
  819   HD23  LEU 466          2HD2      LEU 466  18.159   2.480  -1.890
  820    H    PHE 467           H        PHE 467  13.290   2.360  -2.943
  821    HA   PHE 467           HA       PHE 467  12.569  -0.146  -2.028
  822    HB2  PHE 467           HB2      PHE 467  11.861   1.823  -0.868
  823    HB3  PHE 467           HB1      PHE 467  10.969   2.403  -2.269
  824    HD1  PHE 467           HD1      PHE 467  11.053  -0.352   0.219
  825    HD2  PHE 467           HD2      PHE 467   8.706   1.952  -2.476
  826    HE1  PHE 467           HE1      PHE 467   9.014  -1.401   1.105
  827    HE2  PHE 467           HE2      PHE 467   6.660   0.907  -1.596
  828    HZ   PHE 467           HZ       PHE 467   6.813  -0.773   0.198
  829    H    PHE 468           H        PHE 468  10.914   1.738  -4.586
  830    HA   PHE 468           HA       PHE 468   8.901  -0.167  -5.025
  831    HB2  PHE 468           HB2      PHE 468   9.956   1.997  -6.845
  832    HB3  PHE 468           HB1      PHE 468   8.519   1.034  -7.190
  833    HD1  PHE 468           HD2      PHE 468   7.057   0.874  -4.778
  834    HD2  PHE 468           HD1      PHE 468   9.377   4.126  -6.240
  835    HE1  PHE 468           HE2      PHE 468   5.700   2.434  -3.445
  836    HE2  PHE 468           HE1      PHE 468   8.024   5.691  -4.910
  837    HZ   PHE 468           HZ       PHE 468   6.182   4.848  -3.513
  838    H    ASP 469           H        ASP 469  12.044   0.249  -6.613
  839    HA   ASP 469           HA       ASP 469  11.663  -1.745  -8.573
  840    HB2  ASP 469           HB2      ASP 469  13.503  -0.165  -8.763
  841    HB3  ASP 469           HB1      ASP 469  14.225  -0.786  -7.281
  842    H    LYS 470           H        LYS 470  12.898  -1.873  -5.261
  843    HA   LYS 470           HA       LYS 470  13.570  -4.608  -5.255
  844    HB2  LYS 470           HB2      LYS 470  12.694  -2.808  -2.994
  845    HB3  LYS 470           HB1      LYS 470  13.280  -4.448  -2.765
  846    HG2  LYS 470           HG2      LYS 470  15.420  -3.764  -3.832
  847    HG3  LYS 470           HG1      LYS 470  14.814  -2.106  -3.868
  848    HD2  LYS 470           HD2      LYS 470  14.581  -2.139  -1.431
  849    HD3  LYS 470           HD1      LYS 470  15.188  -3.798  -1.396
  850    HE2  LYS 470           HE2      LYS 470  17.289  -2.977  -2.448
  851    HE3  LYS 470           HE1      LYS 470  16.677  -1.331  -2.286
  852    HZ1  LYS 470           HZ1      LYS 470  17.206  -3.232  -0.066
  853    HZ2  LYS 470           HZ2      LYS 470  16.557  -1.673   0.123
  854    HZ3  LYS 470           HZ3      LYS 470  18.140  -1.872  -0.462
  855    H    VAL 471           H        VAL 471  10.573  -2.924  -4.340
  856    HA   VAL 471           HA       VAL 471   9.044  -5.144  -3.615
  857    HB   VAL 471           HB       VAL 471   8.129  -2.607  -4.986
  858   HG11  VAL 471          1HG1      VAL 471   5.926  -3.092  -4.037
  859   HG12  VAL 471          2HG1      VAL 471   6.530  -4.631  -3.421
  860   HG13  VAL 471          3HG1      VAL 471   6.437  -4.353  -5.159
  861   HG21  VAL 471          3HG2      VAL 471   9.315  -2.193  -2.899
  862   HG22  VAL 471          1HG2      VAL 471   8.258  -3.332  -2.061
  863   HG23  VAL 471          2HG2      VAL 471   7.595  -1.839  -2.728
  864    H    ARG 472           H        ARG 472   9.559  -3.656  -6.763
  865    HA   ARG 472           HA       ARG 472   7.796  -5.188  -8.284
  866    HB2  ARG 472           HB2      ARG 472   8.936  -3.089  -8.984
  867    HB3  ARG 472           HB1      ARG 472  10.435  -3.986  -9.144
  868    HG2  ARG 472           HG2      ARG 472   8.067  -4.915 -10.676
  869    HG3  ARG 472           HG1      ARG 472   8.907  -3.459 -11.214
  870    HD2  ARG 472           HD2      ARG 472  10.081  -6.211 -10.835
  871    HD3  ARG 472           HD1      ARG 472   9.823  -5.365 -12.362
  872    HE   ARG 472           HE       ARG 472  11.504  -3.893 -10.582
  873   HH11  ARG 472          1HH1      ARG 472  11.477  -6.533 -12.879
  874   HH12  ARG 472          2HH1      ARG 472  13.172  -6.399 -13.247
  875   HH21  ARG 472          1HH2      ARG 472  13.723  -3.700 -11.042
  876   HH22  ARG 472          2HH2      ARG 472  14.451  -4.776 -12.208
  877    H    LYS 473           H        LYS 473  11.189  -5.794  -7.423
  878    HA   LYS 473           HA       LYS 473  11.278  -8.235  -8.958
  879    HB2  LYS 473           HB2      LYS 473  13.266  -6.767  -8.598
  880    HB3  LYS 473           HB1      LYS 473  13.246  -7.211  -6.901
  881    HG2  LYS 473           HG2      LYS 473  13.460  -9.318  -9.016
  882    HG3  LYS 473           HG1      LYS 473  14.878  -8.399  -8.513
  883    HD2  LYS 473           HD2      LYS 473  14.491  -9.109  -6.190
  884    HD3  LYS 473           HD1      LYS 473  13.098 -10.052  -6.719
  885    HE2  LYS 473           HE2      LYS 473  15.947 -10.476  -7.622
  886    HE3  LYS 473           HE1      LYS 473  15.106 -11.439  -6.411
  887    HZ1  LYS 473           HZ1      LYS 473  13.470 -12.036  -8.154
  888    HZ2  LYS 473           HZ2      LYS 473  15.041 -12.583  -8.487
  889    HZ3  LYS 473           HZ3      LYS 473  14.433 -11.225  -9.296
  890    H    ALA 474           H        ALA 474  11.038  -7.376  -5.529
  891    HA   ALA 474           HA       ALA 474  11.429  -9.948  -4.470
  892    HB1  ALA 474           HB1      ALA 474  10.534  -9.044  -2.401
  893    HB2  ALA 474           HB2      ALA 474   9.888  -7.652  -3.268
  894    HB3  ALA 474           HB3      ALA 474  11.632  -7.891  -3.158
  895    H    LEU 475           H        LEU 475   8.446  -8.233  -5.332
  896    HA   LEU 475           HA       LEU 475   6.720 -10.335  -4.461
  897    HB2  LEU 475           HB2      LEU 475   6.378  -7.855  -6.097
  898    HB3  LEU 475           HB1      LEU 475   5.117  -9.071  -6.135
  899    HG   LEU 475           HG       LEU 475   4.798  -8.849  -3.719
  900   HD11  LEU 475          1HD1      LEU 475   6.929  -6.724  -3.866
  901   HD12  LEU 475          2HD1      LEU 475   7.071  -8.289  -3.064
  902   HD13  LEU 475          3HD1      LEU 475   5.927  -7.088  -2.461
  903   HD21  LEU 475          3HD2      LEU 475   3.854  -6.607  -3.700
  904   HD22  LEU 475          1HD2      LEU 475   3.525  -7.414  -5.234
  905   HD23  LEU 475          2HD2      LEU 475   4.789  -6.189  -5.136
  906    H    ARG 476           H        ARG 476   8.197  -9.419  -7.497
  907    HA   ARG 476           HA       ARG 476   8.712 -10.564  -9.372
  908    HB2  ARG 476           HB2      ARG 476   9.221 -12.432  -7.744
  909    HB3  ARG 476           HB1      ARG 476   7.612 -13.057  -8.084
  910    HG2  ARG 476           HG2      ARG 476   8.191 -13.299 -10.438
  911    HG3  ARG 476           HG1      ARG 476   9.801 -12.658 -10.111
  912    HD2  ARG 476           HD2      ARG 476   9.967 -15.039 -10.213
  913    HD3  ARG 476           HD1      ARG 476  10.157 -14.555  -8.529
  914    HE   ARG 476           HE       ARG 476   8.040 -15.462  -8.040
  915   HH11  ARG 476          1HH1      ARG 476   8.966 -15.931 -11.397
  916   HH12  ARG 476          2HH1      ARG 476   7.742 -17.134 -11.689
  917   HH21  ARG 476          1HH2      ARG 476   6.476 -17.069  -8.411
  918   HH22  ARG 476          2HH2      ARG 476   6.342 -17.804  -9.984
  919    H    SER 477           H        SER 477   5.551 -11.256  -8.022
  920    HA   SER 477           HA       SER 477   4.363 -11.823 -10.577
  921    HB2  SER 477           HB2      SER 477   3.436 -12.910  -8.645
  922    HB3  SER 477           HB1      SER 477   3.210 -11.372  -7.814
  923    HG   SER 477           HG       SER 477   1.447 -12.611  -9.254
  924    H    ALA 478           H        ALA 478   3.791 -10.343 -12.007
  925    HA   ALA 478           HA       ALA 478   3.837  -7.567 -11.559
  926    HB1  ALA 478           HB1      ALA 478   2.854  -7.365 -13.772
  927    HB2  ALA 478           HB2      ALA 478   2.426  -9.076 -13.757
  928    HB3  ALA 478           HB3      ALA 478   4.121  -8.592 -13.772
  929    H    GLU 479           H        GLU 479   1.306  -9.954 -11.309
  930    HA   GLU 479           HA       GLU 479  -0.927  -8.246 -11.151
  931    HB2  GLU 479           HB2      GLU 479  -0.458 -10.929  -9.827
  932    HB3  GLU 479           HB1      GLU 479  -2.020 -10.143 -10.002
  933    HG2  GLU 479           HG2      GLU 479  -0.298 -10.901 -12.343
  934    HG3  GLU 479           HG1      GLU 479  -1.502 -11.978 -11.638
  935    H    ALA 480           H        ALA 480   1.333  -9.468  -8.729
  936    HA   ALA 480           HA       ALA 480  -0.052  -8.376  -6.489
  937    HB1  ALA 480           HB1      ALA 480   1.900  -9.024  -5.205
  938    HB2  ALA 480           HB2      ALA 480   2.816  -9.285  -6.692
  939    HB3  ALA 480           HB3      ALA 480   1.436 -10.317  -6.312
  940    H    TYR 481           H        TYR 481   2.729  -7.332  -8.418
  941    HA   TYR 481           HA       TYR 481   3.352  -5.034  -6.914
  942    HB2  TYR 481           HB2      TYR 481   4.822  -6.025  -8.674
  943    HB3  TYR 481           HB1      TYR 481   3.699  -5.442  -9.898
  944    HD1  TYR 481           HD1      TYR 481   5.876  -4.244  -7.122
  945    HD2  TYR 481           HD2      TYR 481   3.979  -3.323 -10.816
  946    HE1  TYR 481           HE1      TYR 481   7.080  -2.104  -7.197
  947    HE2  TYR 481           HE2      TYR 481   5.169  -1.171 -10.898
  948    HH   TYR 481           HH       TYR 481   6.273   0.382  -9.394
  949    H    GLU 482           H        GLU 482   1.262  -5.533  -9.706
  950    HA   GLU 482           HA       GLU 482   0.278  -2.950 -10.047
  951    HB2  GLU 482           HB2      GLU 482  -0.096  -4.887 -11.571
  952    HB3  GLU 482           HB1      GLU 482  -1.202  -5.566 -10.392
  953    HG2  GLU 482           HG2      GLU 482  -2.687  -3.662 -10.668
  954    HG3  GLU 482           HG1      GLU 482  -1.569  -2.953 -11.832
  955    H    ASN 483           H        ASN 483  -0.843  -5.585  -7.975
  956    HA   ASN 483           HA       ASN 483  -3.105  -4.391  -6.879
  957    HB2  ASN 483           HB2      ASN 483  -2.434  -6.776  -6.587
  958    HB3  ASN 483           HB1      ASN 483  -1.187  -6.252  -5.460
  959   HD21  ASN 483          1HD2      ASN 483  -1.786  -5.498  -3.424
  960   HD22  ASN 483          2HD2      ASN 483  -3.364  -5.762  -2.781
  961    H    PHE 484           H        PHE 484   0.270  -4.266  -5.773
  962    HA   PHE 484           HA       PHE 484  -0.031  -2.676  -3.523
  963    HB2  PHE 484           HB2      PHE 484   2.096  -3.679  -4.062
  964    HB3  PHE 484           HB1      PHE 484   2.206  -2.759  -5.558
  965    HD1  PHE 484           HD1      PHE 484   1.999  -2.297  -1.871
  966    HD2  PHE 484           HD2      PHE 484   3.393  -0.784  -5.596
  967    HE1  PHE 484           HE1      PHE 484   3.244  -0.537  -0.686
  968    HE2  PHE 484           HE2      PHE 484   4.640   0.976  -4.420
  969    HZ   PHE 484           HZ       PHE 484   4.567   1.102  -1.960
  970    H    LEU 485           H        LEU 485   0.537  -1.593  -6.886
  971    HA   LEU 485           HA       LEU 485   0.340   1.149  -6.246
  972    HB2  LEU 485           HB2      LEU 485   0.069  -0.332  -8.838
  973    HB3  LEU 485           HB1      LEU 485  -0.090   1.412  -8.737
  974    HG   LEU 485           HG       LEU 485   2.285   0.860  -7.412
  975   HD11  LEU 485          1HD1      LEU 485   2.261  -1.395  -8.282
  976   HD12  LEU 485          2HD1      LEU 485   3.567  -0.448  -8.991
  977   HD13  LEU 485          3HD1      LEU 485   2.104  -0.767  -9.924
  978   HD21  LEU 485          3HD2      LEU 485   1.697   1.810 -10.200
  979   HD22  LEU 485          1HD2      LEU 485   3.304   1.860  -9.470
  980   HD23  LEU 485          2HD2      LEU 485   1.981   2.790  -8.763
  981    H    ARG 486           H        ARG 486  -2.123  -1.239  -6.945
  982    HA   ARG 486           HA       ARG 486  -4.214   0.627  -7.372
  983    HB2  ARG 486           HB2      ARG 486  -4.385  -2.166  -6.247
  984    HB3  ARG 486           HB1      ARG 486  -5.751  -1.202  -6.789
  985    HG2  ARG 486           HG2      ARG 486  -4.644  -1.133  -9.053
  986    HG3  ARG 486           HG1      ARG 486  -3.532  -2.364  -8.441
  987    HD2  ARG 486           HD2      ARG 486  -5.880  -3.435  -7.702
  988    HD3  ARG 486           HD1      ARG 486  -6.385  -2.555  -9.144
  989    HE   ARG 486           HE       ARG 486  -4.746  -3.843 -10.391
  990   HH11  ARG 486          1HH1      ARG 486  -5.617  -4.955  -7.191
  991   HH12  ARG 486          2HH1      ARG 486  -5.162  -6.606  -7.494
  992   HH21  ARG 486          1HH2      ARG 486  -4.126  -6.006 -10.818
  993   HH22  ARG 486          2HH2      ARG 486  -4.334  -7.220  -9.579
  994    H    CYS 487           H        CYS 487  -2.871  -0.913  -4.485
  995    HA   CYS 487           HA       CYS 487  -4.594   0.271  -2.613
  996    HB2  CYS 487           HB2      CYS 487  -1.661  -0.386  -2.246
  997    HB3  CYS 487           HB1      CYS 487  -2.868  -0.218  -0.975
  998    HG   CYS 487           HG       CYS 487  -2.924  -2.674  -3.365
  999    H    LEU 488           H        LEU 488  -1.796   1.459  -4.350
 1000    HA   LEU 488           HA       LEU 488  -1.392   3.812  -2.835
 1001    HB2  LEU 488           HB2      LEU 488  -0.710   3.229  -5.717
 1002    HB3  LEU 488           HB1      LEU 488  -0.116   4.593  -4.796
 1003    HG   LEU 488           HG       LEU 488   0.502   1.683  -4.300
 1004   HD11  LEU 488          1HD1      LEU 488   2.244   3.991  -5.167
 1005   HD12  LEU 488          2HD1      LEU 488   1.700   2.653  -6.189
 1006   HD13  LEU 488          3HD1      LEU 488   2.791   2.346  -4.837
 1007   HD21  LEU 488          3HD2      LEU 488   1.357   4.130  -2.759
 1008   HD22  LEU 488          1HD2      LEU 488   1.993   2.500  -2.531
 1009   HD23  LEU 488          2HD2      LEU 488   0.298   2.840  -2.181
 1010    H    VAL 489           H        VAL 489  -3.248   3.187  -5.830
 1011    HA   VAL 489           HA       VAL 489  -3.992   5.893  -6.191
 1012    HB   VAL 489           HB       VAL 489  -5.795   5.067  -7.685
 1013   HG11  VAL 489          1HG1      VAL 489  -4.288   4.126  -9.383
 1014   HG12  VAL 489          2HG1      VAL 489  -3.055   3.904  -8.142
 1015   HG13  VAL 489          3HG1      VAL 489  -3.593   5.528  -8.571
 1016   HG21  VAL 489          3HG2      VAL 489  -4.781   2.366  -6.838
 1017   HG22  VAL 489          1HG2      VAL 489  -5.756   2.640  -8.284
 1018   HG23  VAL 489          2HG2      VAL 489  -6.421   3.001  -6.691
 1019    H    ILE 490           H        ILE 490  -5.633   3.206  -4.533
 1020    HA   ILE 490           HA       ILE 490  -7.940   4.758  -3.932
 1021    HB   ILE 490           HB       ILE 490  -8.517   3.033  -2.283
 1022   HG12  ILE 490          2HG1      ILE 490  -5.815   1.873  -2.996
 1023   HG13  ILE 490          1HG1      ILE 490  -6.333   2.447  -1.414
 1024   HG21  ILE 490          1HG2      ILE 490  -9.137   2.721  -4.594
 1025   HG22  ILE 490          2HG2      ILE 490  -8.718   1.168  -3.869
 1026   HG23  ILE 490          3HG2      ILE 490  -7.576   1.978  -4.942
 1027   HD11  ILE 490          3HD1      ILE 490  -8.060   0.650  -1.409
 1028   HD12  ILE 490          1HD1      ILE 490  -6.392   0.068  -1.407
 1029   HD13  ILE 490          2HD1      ILE 490  -7.334   0.028  -2.897
 1030    H    PHE 491           H        PHE 491  -4.848   4.304  -2.326
 1031    HA   PHE 491           HA       PHE 491  -5.506   5.634   0.083
 1032    HB2  PHE 491           HB2      PHE 491  -3.470   4.311  -0.099
 1033    HB3  PHE 491           HB1      PHE 491  -2.853   5.374  -1.356
 1034    HD1  PHE 491           HD1      PHE 491  -3.850   5.301   2.222
 1035    HD2  PHE 491           HD2      PHE 491  -1.560   7.229  -0.804
 1036    HE1  PHE 491           HE1      PHE 491  -2.753   6.681   3.936
 1037    HE2  PHE 491           HE2      PHE 491  -0.462   8.615   0.908
 1038    HZ   PHE 491           HZ       PHE 491  -1.058   8.344   3.278
 1039    H    ASN 492           H        ASN 492  -4.265   6.746  -3.028
 1040    HA   ASN 492           HA       ASN 492  -3.924   9.461  -2.324
 1041    HB2  ASN 492           HB2      ASN 492  -2.914   8.479  -4.343
 1042    HB3  ASN 492           HB1      ASN 492  -4.516   8.264  -5.044
 1043   HD21  ASN 492          1HD2      ASN 492  -5.610  10.035  -5.856
 1044   HD22  ASN 492          2HD2      ASN 492  -4.858  11.577  -6.095
 1045    H    GLN 493           H        GLN 493  -6.670   7.621  -3.456
 1046    HA   GLN 493           HA       GLN 493  -8.324   9.994  -3.755
 1047    HB2  GLN 493           HB2      GLN 493  -8.888   7.057  -4.187
 1048    HB3  GLN 493           HB1      GLN 493 -10.063   8.338  -4.462
 1049    HG2  GLN 493           HG2      GLN 493  -8.630   9.309  -6.165
 1050    HG3  GLN 493           HG1      GLN 493  -7.417   8.068  -5.868
 1051   HE21  GLN 493          1HE2      GLN 493  -7.741   6.010  -6.622
 1052   HE22  GLN 493          2HE2      GLN 493  -8.965   5.622  -7.783
 1053    H    GLU 494           H        GLU 494  -7.259   9.104  -1.140
 1054    HA   GLU 494           HA       GLU 494  -7.850   8.809   1.018
 1055    HB2  GLU 494           HB2      GLU 494  -9.585  10.310   1.838
 1056    HB3  GLU 494           HB1      GLU 494  -8.555  11.106   0.661
 1057    HG2  GLU 494           HG2      GLU 494 -10.273  10.843  -1.036
 1058    HG3  GLU 494           HG1      GLU 494 -11.302  10.006   0.124
 1059    H    VAL 495           H        VAL 495  -8.773   6.697  -0.683
 1060    HA   VAL 495           HA       VAL 495 -11.353   5.883   0.331
 1061    HB   VAL 495           HB       VAL 495  -9.293   4.432  -1.343
 1062   HG11  VAL 495          1HG1      VAL 495 -10.473   2.788  -0.036
 1063   HG12  VAL 495          2HG1      VAL 495 -11.040   2.722  -1.705
 1064   HG13  VAL 495          3HG1      VAL 495 -12.025   3.505  -0.467
 1065   HG21  VAL 495          3HG2      VAL 495 -10.955   4.681  -3.139
 1066   HG22  VAL 495          1HG2      VAL 495 -10.428   6.243  -2.510
 1067   HG23  VAL 495          2HG2      VAL 495 -11.997   5.586  -2.041
 1068    H    ILE 496           H        ILE 496  -7.956   5.024   0.833
 1069    HA   ILE 496           HA       ILE 496  -8.784   3.535   3.238
 1070    HB   ILE 496           HB       ILE 496  -6.694   2.252   3.073
 1071   HG12  ILE 496          2HG1      ILE 496  -6.339   3.598   0.385
 1072   HG13  ILE 496          1HG1      ILE 496  -5.389   3.961   1.826
 1073   HG21  ILE 496          1HG2      ILE 496  -8.379   2.139   0.573
 1074   HG22  ILE 496          2HG2      ILE 496  -8.729   1.337   2.105
 1075   HG23  ILE 496          3HG2      ILE 496  -7.319   0.856   1.161
 1076   HD11  ILE 496          3HD1      ILE 496  -5.498   1.317   0.397
 1077   HD12  ILE 496          1HD1      ILE 496  -4.552   1.669   1.843
 1078   HD13  ILE 496          2HD1      ILE 496  -4.183   2.489   0.325
 1079    H    SER 497           H        SER 497  -6.782   3.408   4.806
 1080    HA   SER 497           HA       SER 497  -5.792   6.165   5.136
 1081    HB2  SER 497           HB2      SER 497  -6.349   4.130   7.312
 1082    HB3  SER 497           HB1      SER 497  -5.906   5.823   7.536
 1083    HG   SER 497           HG       SER 497  -8.333   4.716   6.633
 1084    H    ARG 498           H        ARG 498  -3.775   6.112   6.714
 1085    HA   ARG 498           HA       ARG 498  -1.667   4.881   5.359
 1086    HB2  ARG 498           HB2      ARG 498  -1.307   6.822   6.787
 1087    HB3  ARG 498           HB1      ARG 498  -1.757   5.892   8.209
 1088    HG2  ARG 498           HG2      ARG 498   0.207   4.434   7.847
 1089    HG3  ARG 498           HG1      ARG 498   0.660   5.438   6.467
 1090    HD2  ARG 498           HD2      ARG 498   1.944   6.095   8.404
 1091    HD3  ARG 498           HD1      ARG 498   0.826   7.385   7.967
 1092    HE   ARG 498           HE       ARG 498  -0.196   5.593   9.975
 1093   HH11  ARG 498          1HH1      ARG 498   1.742   8.459   9.426
 1094   HH12  ARG 498          2HH1      ARG 498   1.473   9.111  11.011
 1095   HH21  ARG 498          1HH2      ARG 498  -0.538   6.417  12.058
 1096   HH22  ARG 498          2HH2      ARG 498   0.162   7.944  12.523
 1097    H    ALA 499           H        ALA 499  -3.135   3.987   8.481
 1098    HA   ALA 499           HA       ALA 499  -1.614   1.694   8.954
 1099    HB1  ALA 499           HB1      ALA 499  -4.477   2.204   9.754
 1100    HB2  ALA 499           HB2      ALA 499  -3.049   2.739  10.640
 1101    HB3  ALA 499           HB3      ALA 499  -3.393   1.016  10.477
 1102    H    GLU 500           H        GLU 500  -4.734   2.033   7.299
 1103    HA   GLU 500           HA       GLU 500  -5.214  -0.631   6.697
 1104    HB2  GLU 500           HB2      GLU 500  -5.851   1.724   4.912
 1105    HB3  GLU 500           HB1      GLU 500  -6.665   0.168   4.926
 1106    HG2  GLU 500           HG2      GLU 500  -6.668   2.138   7.203
 1107    HG3  GLU 500           HG1      GLU 500  -7.958   1.950   6.019
 1108    H    LEU 501           H        LEU 501  -3.497   1.811   4.771
 1109    HA   LEU 501           HA       LEU 501  -2.860   0.195   2.576
 1110    HB2  LEU 501           HB2      LEU 501  -2.691   2.608   2.503
 1111    HB3  LEU 501           HB1      LEU 501  -1.435   2.595   3.724
 1112    HG   LEU 501           HG       LEU 501   0.074   1.442   2.149
 1113   HD11  LEU 501          1HD1      LEU 501  -2.145   1.850   0.151
 1114   HD12  LEU 501          2HD1      LEU 501  -1.622   0.300   0.808
 1115   HD13  LEU 501          3HD1      LEU 501  -0.525   1.246  -0.196
 1116   HD21  LEU 501          3HD2      LEU 501   0.136   3.860   2.310
 1117   HD22  LEU 501          1HD2      LEU 501  -1.144   3.991   1.104
 1118   HD23  LEU 501          2HD2      LEU 501   0.432   3.345   0.648
 1119    H    VAL 502           H        VAL 502  -0.935   0.957   5.467
 1120    HA   VAL 502           HA       VAL 502   1.349  -0.513   4.777
 1121    HB   VAL 502           HB       VAL 502   0.262   0.135   7.527
 1122   HG11  VAL 502          1HG1      VAL 502   3.028  -0.748   6.714
 1123   HG12  VAL 502          2HG1      VAL 502   1.869  -1.690   7.654
 1124   HG13  VAL 502          3HG1      VAL 502   2.549  -0.205   8.322
 1125   HG21  VAL 502          3HG2      VAL 502   1.870   1.979   7.470
 1126   HG22  VAL 502          1HG2      VAL 502   0.694   2.106   6.161
 1127   HG23  VAL 502          2HG2      VAL 502   2.327   1.528   5.827
 1128    H    GLN 503           H        GLN 503  -1.619  -1.456   6.420
 1129    HA   GLN 503           HA       GLN 503  -0.735  -4.085   7.074
 1130    HB2  GLN 503           HB2      GLN 503  -3.475  -2.833   6.945
 1131    HB3  GLN 503           HB1      GLN 503  -3.200  -4.491   7.459
 1132    HG2  GLN 503           HG2      GLN 503  -1.951  -2.091   8.771
 1133    HG3  GLN 503           HG1      GLN 503  -3.443  -2.857   9.317
 1134   HE21  GLN 503          1HE2      GLN 503  -3.355  -4.868  10.291
 1135   HE22  GLN 503          2HE2      GLN 503  -1.871  -5.557  10.862
 1136    H    LEU 504           H        LEU 504  -2.524  -2.695   4.357
 1137    HA   LEU 504           HA       LEU 504  -3.442  -5.068   3.201
 1138    HB2  LEU 504           HB2      LEU 504  -2.669  -2.457   1.913
 1139    HB3  LEU 504           HB1      LEU 504  -3.439  -3.770   1.050
 1140    HG   LEU 504           HG       LEU 504  -4.693  -2.506   3.472
 1141   HD11  LEU 504          1HD1      LEU 504  -6.042  -1.177   1.948
 1142   HD12  LEU 504          2HD1      LEU 504  -5.110  -1.780   0.577
 1143   HD13  LEU 504          3HD1      LEU 504  -4.333  -0.771   1.798
 1144   HD21  LEU 504          3HD2      LEU 504  -5.811  -4.112   1.182
 1145   HD22  LEU 504          1HD2      LEU 504  -6.717  -3.483   2.560
 1146   HD23  LEU 504          2HD2      LEU 504  -5.487  -4.724   2.808
 1147    H    VAL 505           H        VAL 505  -0.305  -3.490   2.929
 1148    HA   VAL 505           HA       VAL 505   0.483  -5.337   0.823
 1149    HB   VAL 505           HB       VAL 505   1.022  -2.851   0.821
 1150   HG11  VAL 505          1HG1      VAL 505   3.053  -2.147   1.977
 1151   HG12  VAL 505          2HG1      VAL 505   3.140  -3.716   2.778
 1152   HG13  VAL 505          3HG1      VAL 505   1.790  -2.631   3.109
 1153   HG21  VAL 505          3HG2      VAL 505   3.247  -4.840   0.400
 1154   HG22  VAL 505          1HG2      VAL 505   3.216  -3.198  -0.241
 1155   HG23  VAL 505          2HG2      VAL 505   2.011  -4.371  -0.772
 1156    H    SER 506           H        SER 506   0.243  -5.711   4.010
 1157    HA   SER 506           HA       SER 506   2.797  -6.550   4.826
 1158    HB2  SER 506           HB2      SER 506   1.694  -7.663   6.705
 1159    HB3  SER 506           HB1      SER 506   1.045  -6.049   6.453
 1160    HG   SER 506           HG       SER 506  -0.826  -6.864   5.819
 1161    HA   PRO 507           HA       PRO 507   1.485 -11.046   3.482
 1162    HB2  PRO 507           HB2      PRO 507  -0.256 -10.458   1.171
 1163    HB3  PRO 507           HB1      PRO 507  -0.436 -11.680   2.434
 1164    HG2  PRO 507           HG2      PRO 507  -2.016  -9.529   2.371
 1165    HG3  PRO 507           HG1      PRO 507  -1.433 -10.196   3.910
 1166    HD2  PRO 507           HD2      PRO 507  -0.431  -7.820   2.377
 1167    HD3  PRO 507           HD1      PRO 507  -0.708  -7.992   4.126
 1168    H    PHE 508           H        PHE 508   2.228  -8.269   1.675
 1169    HA   PHE 508           HA       PHE 508   3.520  -9.795  -0.466
 1170    HB2  PHE 508           HB2      PHE 508   3.092  -6.813  -0.175
 1171    HB3  PHE 508           HB1      PHE 508   3.806  -7.610  -1.572
 1172    HD1  PHE 508           HD1      PHE 508   0.709  -7.028   0.300
 1173    HD2  PHE 508           HD2      PHE 508   2.449  -8.769  -3.166
 1174    HE1  PHE 508           HE1      PHE 508  -1.527  -7.295  -0.681
 1175    HE2  PHE 508           HE2      PHE 508   0.216  -9.041  -4.156
 1176    HZ   PHE 508           HZ       PHE 508  -1.779  -8.301  -2.914
 1177    H    LEU 509           H        LEU 509   4.296  -7.103   1.749
 1178    HA   LEU 509           HA       LEU 509   7.139  -7.558   1.271
 1179    HB2  LEU 509           HB2      LEU 509   5.815  -5.423   2.945
 1180    HB3  LEU 509           HB1      LEU 509   7.489  -5.461   2.429
 1181    HG   LEU 509           HG       LEU 509   5.083  -5.088   0.645
 1182   HD11  LEU 509          1HD1      LEU 509   7.279  -3.202   1.482
 1183   HD12  LEU 509          2HD1      LEU 509   5.589  -3.131   1.983
 1184   HD13  LEU 509          3HD1      LEU 509   6.023  -2.850   0.297
 1185   HD21  LEU 509          3HD2      LEU 509   6.858  -6.361  -0.470
 1186   HD22  LEU 509          1HD2      LEU 509   8.014  -5.092  -0.063
 1187   HD23  LEU 509          2HD2      LEU 509   6.673  -4.748  -1.158
 1188    H    GLY 510           H        GLY 510   4.956  -8.919   3.219
 1189    HA2  GLY 510           HA2      GLY 510   6.048  -8.657   5.814
 1190    HA3  GLY 510           HA1      GLY 510   4.980  -9.943   5.275
 1191    H    LYS 511           H        LYS 511   6.998 -10.585   3.104
 1192    HA   LYS 511           HA       LYS 511   8.605 -12.382   4.730
 1193    HB2  LYS 511           HB2      LYS 511   8.576 -12.122   1.718
 1194    HB3  LYS 511           HB1      LYS 511   9.241 -13.450   2.652
 1195    HG2  LYS 511           HG2      LYS 511   7.270 -14.357   1.948
 1196    HG3  LYS 511           HG1      LYS 511   6.778 -13.678   3.496
 1197    HD2  LYS 511           HD2      LYS 511   5.843 -11.744   2.416
 1198    HD3  LYS 511           HD1      LYS 511   6.471 -12.265   0.852
 1199    HE2  LYS 511           HE2      LYS 511   4.155 -12.797   0.905
 1200    HE3  LYS 511           HE1      LYS 511   5.046 -14.309   1.059
 1201    HZ1  LYS 511           HZ1      LYS 511   3.765 -12.799   3.279
 1202    HZ2  LYS 511           HZ2      LYS 511   4.660 -14.225   3.467
 1203    HZ3  LYS 511           HZ3      LYS 511   3.201 -14.249   2.600
 1204    H    PHE 512           H        PHE 512   8.873  -9.278   3.788
 1205    HA   PHE 512           HA       PHE 512  11.804  -9.411   3.582
 1206    HB2  PHE 512           HB2      PHE 512  10.037  -7.437   2.118
 1207    HB3  PHE 512           HB1      PHE 512  11.782  -7.624   1.951
 1208    HD1  PHE 512           HD2      PHE 512  12.712  -9.614   0.831
 1209    HD2  PHE 512           HD1      PHE 512   8.518  -8.879   0.967
 1210    HE1  PHE 512           HE2      PHE 512  12.366 -11.259  -0.966
 1211    HE2  PHE 512           HE1      PHE 512   8.170 -10.521  -0.828
 1212    HZ   PHE 512           HZ       PHE 512  10.094 -11.716  -1.796
 1213    HA   PRO 513           HA       PRO 513  10.623  -7.225   7.398
 1214    HB2  PRO 513           HB2      PRO 513  13.537  -7.503   7.870
 1215    HB3  PRO 513           HB1      PRO 513  12.178  -7.953   8.906
 1216    HG2  PRO 513           HG2      PRO 513  13.579  -9.821   7.632
 1217    HG3  PRO 513           HG1      PRO 513  11.816  -9.955   7.790
 1218    HD2  PRO 513           HD2      PRO 513  13.448  -9.097   5.429
 1219    HD3  PRO 513           HD1      PRO 513  12.006 -10.134   5.486
 1220    H    GLU 514           H        GLU 514  13.641  -6.471   5.651
 1221    HA   GLU 514           HA       GLU 514  13.796  -3.838   6.753
 1222    HB2  GLU 514           HB2      GLU 514  15.718  -3.514   5.334
 1223    HB3  GLU 514           HB1      GLU 514  15.798  -5.119   6.039
 1224    HG2  GLU 514           HG2      GLU 514  14.970  -4.444   3.222
 1225    HG3  GLU 514           HG1      GLU 514  16.501  -5.158   3.721
 1226    H    LEU 515           H        LEU 515  12.496  -5.224   3.825
 1227    HA   LEU 515           HA       LEU 515  12.131  -2.766   2.443
 1228    HB2  LEU 515           HB2      LEU 515  12.187  -5.155   1.509
 1229    HB3  LEU 515           HB1      LEU 515  10.520  -5.278   2.034
 1230    HG   LEU 515           HG       LEU 515   9.911  -3.415   0.559
 1231   HD11  LEU 515          1HD1      LEU 515  12.035  -2.218   0.607
 1232   HD12  LEU 515          2HD1      LEU 515  11.535  -2.554  -1.051
 1233   HD13  LEU 515          3HD1      LEU 515  12.800  -3.526  -0.296
 1234   HD21  LEU 515          3HD2      LEU 515  10.244  -4.587  -1.575
 1235   HD22  LEU 515          1HD2      LEU 515   9.757  -5.692  -0.290
 1236   HD23  LEU 515          2HD2      LEU 515  11.442  -5.629  -0.807
 1237    H    PHE 516           H        PHE 516  10.025  -4.811   4.437
 1238    HA   PHE 516           HA       PHE 516   7.727  -3.168   4.233
 1239    HB2  PHE 516           HB2      PHE 516   7.823  -5.581   5.016
 1240    HB3  PHE 516           HB1      PHE 516   8.443  -4.979   6.548
 1241    HD1  PHE 516           HD1      PHE 516   5.625  -4.197   4.226
 1242    HD2  PHE 516           HD2      PHE 516   6.903  -4.822   8.235
 1243    HE1  PHE 516           HE1      PHE 516   3.318  -3.858   5.010
 1244    HE2  PHE 516           HE2      PHE 516   4.597  -4.490   9.025
 1245    HZ   PHE 516           HZ       PHE 516   2.804  -4.008   7.413
 1246    H    ASN 517           H        ASN 517  10.488  -3.227   6.409
 1247    HA   ASN 517           HA       ASN 517   9.616  -1.264   8.235
 1248    HB2  ASN 517           HB2      ASN 517  11.492  -2.523   8.901
 1249    HB3  ASN 517           HB1      ASN 517  12.337  -2.237   7.384
 1250   HD21  ASN 517          1HD2      ASN 517  11.430  -0.877  10.467
 1251   HD22  ASN 517          2HD2      ASN 517  12.573   0.438  10.434
 1252    H    TRP 518           H        TRP 518  11.335  -1.037   5.151
 1253    HA   TRP 518           HA       TRP 518  11.861   1.708   5.132
 1254    HB2  TRP 518           HB2      TRP 518  12.653  -0.030   3.448
 1255    HB3  TRP 518           HB1      TRP 518  11.058   0.073   2.712
 1256    HD1  TRP 518           HD1      TRP 518  14.422   1.638   2.630
 1257    HE1  TRP 518           HE1      TRP 518  14.418   3.698   1.088
 1258    HE3  TRP 518           HE3      TRP 518   9.366   2.206   1.998
 1259    HZ2  TRP 518           HZ2      TRP 518  12.544   5.344  -0.209
 1260    HZ3  TRP 518           HZ3      TRP 518   8.562   4.053   0.587
 1261    HH2  TRP 518           HH2      TRP 518  10.119   5.589  -0.492
 1262    H    PHE 519           H        PHE 519   9.044  -0.098   3.938
 1263    HA   PHE 519           HA       PHE 519   7.546   2.036   2.997
 1264    HB2  PHE 519           HB2      PHE 519   7.099  -0.427   2.701
 1265    HB3  PHE 519           HB1      PHE 519   6.433  -0.431   4.331
 1266    HD1  PHE 519           HD2      PHE 519   6.098   1.462   1.142
 1267    HD2  PHE 519           HD1      PHE 519   4.158  -0.193   4.549
 1268    HE1  PHE 519           HE2      PHE 519   3.926   2.133   0.224
 1269    HE2  PHE 519           HE1      PHE 519   1.978   0.478   3.635
 1270    HZ   PHE 519           HZ       PHE 519   1.855   1.645   1.467
 1271    H    LYS 520           H        LYS 520   7.589   0.586   6.250
 1272    HA   LYS 520           HA       LYS 520   5.648   2.221   7.420
 1273    HB2  LYS 520           HB2      LYS 520   8.057   0.840   8.586
 1274    HB3  LYS 520           HB1      LYS 520   6.936   1.762   9.577
 1275    HG2  LYS 520           HG2      LYS 520   5.111   0.287   8.830
 1276    HG3  LYS 520           HG1      LYS 520   6.289  -0.670   7.927
 1277    HD2  LYS 520           HD2      LYS 520   7.465  -1.219   9.967
 1278    HD3  LYS 520           HD1      LYS 520   6.398  -0.165  10.900
 1279    HE2  LYS 520           HE2      LYS 520   4.494  -1.590  10.293
 1280    HE3  LYS 520           HE1      LYS 520   5.584  -2.653   9.405
 1281    HZ1  LYS 520           HZ1      LYS 520   5.085  -3.497  11.624
 1282    HZ2  LYS 520           HZ2      LYS 520   5.739  -2.093  12.322
 1283    HZ3  LYS 520           HZ3      LYS 520   6.737  -3.154  11.453
 1284    H    ASN 521           H        ASN 521   9.094   2.764   6.921
 1285    HA   ASN 521           HA       ASN 521   9.234   5.047   8.622
 1286    HB2  ASN 521           HB2      ASN 521  11.195   3.630   8.075
 1287    HB3  ASN 521           HB1      ASN 521  11.131   4.217   6.416
 1288   HD21  ASN 521          1HD2      ASN 521  11.841   5.020   9.718
 1289   HD22  ASN 521          2HD2      ASN 521  12.685   6.492   9.391
 1290    H    PHE 522           H        PHE 522   8.772   4.593   5.154
 1291    HA   PHE 522           HA       PHE 522   9.067   7.298   4.395
 1292    HB2  PHE 522           HB2      PHE 522   9.163   5.424   2.804
 1293    HB3  PHE 522           HB1      PHE 522   7.454   5.111   3.066
 1294    HD1  PHE 522           HD1      PHE 522   9.441   8.215   2.331
 1295    HD2  PHE 522           HD2      PHE 522   6.221   5.656   1.213
 1296    HE1  PHE 522           HE1      PHE 522   8.891   9.719   0.470
 1297    HE2  PHE 522           HE2      PHE 522   5.669   7.168  -0.642
 1298    HZ   PHE 522           HZ       PHE 522   7.004   9.199  -1.016
 1299    H    LEU 523           H        LEU 523   6.186   5.392   5.259
 1300    HA   LEU 523           HA       LEU 523   4.464   7.691   4.905
 1301    HB2  LEU 523           HB2      LEU 523   3.962   4.890   5.839
 1302    HB3  LEU 523           HB1      LEU 523   2.722   6.130   5.892
 1303    HG   LEU 523           HG       LEU 523   3.389   6.404   3.344
 1304   HD11  LEU 523          1HD1      LEU 523   5.181   4.793   3.356
 1305   HD12  LEU 523          2HD1      LEU 523   3.859   4.219   2.341
 1306   HD13  LEU 523          3HD1      LEU 523   4.089   3.544   3.951
 1307   HD21  LEU 523          3HD2      LEU 523   1.184   5.902   4.219
 1308   HD22  LEU 523          1HD2      LEU 523   1.631   4.206   4.402
 1309   HD23  LEU 523          2HD2      LEU 523   1.545   4.927   2.793
 1310    H    GLY 524           H        GLY 524   6.559   6.833   7.284
 1311    HA2  GLY 524           HA2      GLY 524   6.839   7.543   9.452
 1312    HA3  GLY 524           HA1      GLY 524   5.554   8.705   9.145
 1313    H    TYR 525           H        TYR 525   5.674   5.156   9.266
 1314    HA   TYR 525           HA       TYR 525   3.160   4.896  10.540
 1315    HB2  TYR 525           HB2      TYR 525   4.229   3.118   9.173
 1316    HB3  TYR 525           HB1      TYR 525   5.453   2.918  10.418
 1317    HD1  TYR 525           HD1      TYR 525   4.896   1.825  12.542
 1318    HD2  TYR 525           HD2      TYR 525   2.001   2.242   9.453
 1319    HE1  TYR 525           HE1      TYR 525   3.492   0.134  13.639
 1320    HE2  TYR 525           HE2      TYR 525   0.585   0.556  10.548
 1321    HH   TYR 525           HH       TYR 525   1.046  -1.454  12.175
 1322    H    LYS 526           H        LYS 526   3.075   6.121  12.384
 1323    HA   LYS 526           HA       LYS 526   5.100   5.831  14.427
 1324    HB2  LYS 526           HB2      LYS 526   3.965   8.013  13.799
 1325    HB3  LYS 526           HB1      LYS 526   2.516   7.383  14.569
 1326    HG2  LYS 526           HG2      LYS 526   3.570   7.322  16.691
 1327    HG3  LYS 526           HG1      LYS 526   5.149   7.656  15.978
 1328    HD2  LYS 526           HD2      LYS 526   4.238   9.847  15.189
 1329    HD3  LYS 526           HD1      LYS 526   2.781   9.509  16.125
 1330    HE2  LYS 526           HE2      LYS 526   4.012   9.504  18.170
 1331    HE3  LYS 526           HE1      LYS 526   5.547   9.575  17.307
 1332    HZ1  LYS 526           HZ1      LYS 526   5.018  11.738  18.133
 1333    HZ2  LYS 526           HZ2      LYS 526   3.477  11.704  17.425
 1334    HZ3  LYS 526           HZ3      LYS 526   4.862  11.765  16.444
 1335    H    GLU 527           H        GLU 527   5.014   4.242  15.843
 1336    HA   GLU 527           HA       GLU 527   2.504   2.797  16.226
 1337    HB2  GLU 527           HB2      GLU 527   4.792   1.737  15.634
 1338    HB3  GLU 527           HB1      GLU 527   5.192   2.004  17.324
 1339    HG2  GLU 527           HG2      GLU 527   3.274   0.632  17.985
 1340    HG3  GLU 527           HG1      GLU 527   2.904   0.347  16.284
 1341    H    SER 528           H        SER 528   3.305   5.448  17.465
 1342    HA   SER 528           HA       SER 528   2.514   4.746  20.173
 1343    HB2  SER 528           HB2      SER 528   4.255   6.512  20.964
 1344    HB3  SER 528           HB1      SER 528   4.803   4.878  20.591
 1345    HG   SER 528           HG       SER 528   5.473   7.233  19.424
  Start of MODEL   11
    1    H1   SER 127           HT1      SER 127  -2.914 -19.578  12.370
    2    H2   SER 127           HT2      SER 127  -4.022 -20.859  12.349
    3    H3   SER 127           HT3      SER 127  -2.665 -20.893  11.331
    4    HA   SER 127           HA       SER 127  -1.205 -20.991  13.232
    5    HB2  SER 127           HB2      SER 127  -3.782 -21.177  14.809
    6    HB3  SER 127           HB1      SER 127  -2.157 -21.350  15.469
    7    HG   SER 127           HG       SER 127  -3.115 -19.221  15.710
    8    H    ASN 128           H        ASN 128  -3.886 -22.712  11.932
    9    HA   ASN 128           HA       ASN 128  -2.647 -25.228  12.836
   10    HB2  ASN 128           HB2      ASN 128  -4.762 -26.337  12.722
   11    HB3  ASN 128           HB1      ASN 128  -4.968 -24.875  13.674
   12   HD21  ASN 128          1HD2      ASN 128  -6.907 -26.506  12.225
   13   HD22  ASN 128          2HD2      ASN 128  -7.713 -25.427  11.138
   14    H    ALA 129           H        ALA 129  -2.868 -23.274  10.226
   15    HA   ALA 129           HA       ALA 129  -3.026 -25.418   8.246
   16    HB1  ALA 129           HB1      ALA 129  -4.183 -23.321   7.756
   17    HB2  ALA 129           HB2      ALA 129  -2.901 -23.628   6.586
   18    HB3  ALA 129           HB3      ALA 129  -2.655 -22.446   7.871
   19    H    GLY 130           H        GLY 130  -0.756 -23.944  10.177
   20    HA2  GLY 130           HA2      GLY 130   1.441 -25.339   9.605
   21    HA3  GLY 130           HA1      GLY 130   1.466 -24.142   8.316
   22    H    SER 131           H        SER 131   2.451 -22.295   8.703
   23    HA   SER 131           HA       SER 131   3.404 -20.517   9.728
   24    HB2  SER 131           HB2      SER 131   1.633 -21.241  12.076
   25    HB3  SER 131           HB1      SER 131   2.431 -19.692  11.813
   26    HG   SER 131           HG       SER 131   1.156 -19.414   9.939
   27    H    ASP 132           H        ASP 132   4.436 -19.920  12.074
   28    HA   ASP 132           HA       ASP 132   5.658 -22.253  13.311
   29    HB2  ASP 132           HB2      ASP 132   7.918 -21.553  13.018
   30    HB3  ASP 132           HB1      ASP 132   7.177 -21.514  11.423
   31    H    ASP 133           H        ASP 133   7.200 -21.326  15.169
   32    HA   ASP 133           HA       ASP 133   5.271 -19.796  16.739
   33    HB2  ASP 133           HB2      ASP 133   6.166 -21.964  17.578
   34    HB3  ASP 133           HB1      ASP 133   7.768 -21.239  17.657
   35    H    ASP 134           H        ASP 134   8.095 -19.171  15.027
   36    HA   ASP 134           HA       ASP 134   8.891 -17.008  16.845
   37    HB2  ASP 134           HB2      ASP 134  10.705 -18.480  16.130
   38    HB3  ASP 134           HB1      ASP 134  10.324 -18.153  14.442
   39    H    GLY 135           H        GLY 135   8.340 -17.559  13.372
   40    HA2  GLY 135           HA2      GLY 135   6.716 -15.872  12.393
   41    HA3  GLY 135           HA1      GLY 135   7.777 -14.667  13.112
   42    H    GLY 136           H        GLY 136   8.052 -17.561  11.049
   43    HA2  GLY 136           HA2      GLY 136  10.350 -16.459   9.683
   44    HA3  GLY 136           HA1      GLY 136   9.549 -17.983   9.327
   45    H    ASP 137           H        ASP 137   7.165 -17.545   8.547
   46    HA   ASP 137           HA       ASP 137   5.819 -16.904   6.847
   47    HB2  ASP 137           HB2      ASP 137   5.852 -14.706   7.980
   48    HB3  ASP 137           HB1      ASP 137   7.257 -14.249   7.022
   49    H    SER 138           H        SER 138   6.400 -18.207   5.254
   50    HA   SER 138           HA       SER 138   7.139 -18.834   3.203
   51    HB2  SER 138           HB2      SER 138   8.330 -16.061   2.959
   52    HB3  SER 138           HB1      SER 138   8.066 -17.208   1.646
   53    HG   SER 138           HG       SER 138   5.798 -16.750   3.086
   54    HA   PRO 139           HA       PRO 139  11.218 -19.966   4.932
   55    HB2  PRO 139           HB2      PRO 139  10.574 -22.544   3.687
   56    HB3  PRO 139           HB1      PRO 139  10.955 -22.182   5.372
   57    HG2  PRO 139           HG2      PRO 139   8.478 -22.889   4.579
   58    HG3  PRO 139           HG1      PRO 139   8.756 -21.753   5.912
   59    HD2  PRO 139           HD2      PRO 139   7.994 -21.191   3.069
   60    HD3  PRO 139           HD1      PRO 139   7.395 -20.442   4.566
   61    H    VAL 140           H        VAL 140   9.790 -20.535   1.772
   62    HA   VAL 140           HA       VAL 140  12.462 -20.544   0.560
   63    HB   VAL 140           HB       VAL 140  11.375 -21.564  -1.412
   64   HG11  VAL 140          1HG1      VAL 140  10.947 -23.060   1.168
   65   HG12  VAL 140          2HG1      VAL 140  12.440 -22.996   0.231
   66   HG13  VAL 140          3HG1      VAL 140  11.013 -23.786  -0.439
   67   HG21  VAL 140          3HG2      VAL 140   8.931 -21.690   0.347
   68   HG22  VAL 140          1HG2      VAL 140   9.105 -22.467  -1.228
   69   HG23  VAL 140          2HG2      VAL 140   9.117 -20.708  -1.106
   70    H    GLN 141           H        GLN 141  12.663 -19.428  -1.511
   71    HA   GLN 141           HA       GLN 141  10.958 -17.041  -1.615
   72    HB2  GLN 141           HB2      GLN 141  13.821 -17.515  -2.431
   73    HB3  GLN 141           HB1      GLN 141  12.931 -16.089  -2.932
   74    HG2  GLN 141           HG2      GLN 141  12.541 -15.522  -0.578
   75    HG3  GLN 141           HG1      GLN 141  13.508 -16.920  -0.106
   76   HE21  GLN 141          1HE2      GLN 141  13.943 -14.081   0.442
   77   HE22  GLN 141          2HE2      GLN 141  15.503 -13.704  -0.218
   78    H    ASP 142           H        ASP 142  11.780 -16.268  -4.256
   79    HA   ASP 142           HA       ASP 142  11.020 -16.437  -6.381
   80    HB2  ASP 142           HB2      ASP 142  11.305 -19.380  -5.780
   81    HB3  ASP 142           HB1      ASP 142  10.776 -18.779  -7.348
   82    H    ILE 143           H        ILE 143   9.231 -15.823  -4.520
   83    HA   ILE 143           HA       ILE 143   6.931 -17.388  -4.307
   84    HB   ILE 143           HB       ILE 143   6.761 -14.390  -4.417
   85   HG12  ILE 143          2HG1      ILE 143   7.290 -14.901  -1.779
   86   HG13  ILE 143          1HG1      ILE 143   8.408 -15.996  -2.584
   87   HG21  ILE 143          1HG2      ILE 143   4.720 -15.655  -4.039
   88   HG22  ILE 143          2HG2      ILE 143   5.160 -14.732  -2.601
   89   HG23  ILE 143          3HG2      ILE 143   5.467 -16.467  -2.664
   90   HD11  ILE 143          3HD1      ILE 143   9.521 -13.926  -2.133
   91   HD12  ILE 143          1HD1      ILE 143   8.239 -13.014  -2.930
   92   HD13  ILE 143          2HD1      ILE 143   9.283 -14.070  -3.874
   93    H    ASP 144           H        ASP 144   5.178 -17.667  -5.591
   94    HA   ASP 144           HA       ASP 144   5.399 -16.849  -8.344
   95    HB2  ASP 144           HB2      ASP 144   3.382 -18.215  -8.687
   96    HB3  ASP 144           HB1      ASP 144   4.606 -19.107  -7.794
   97    H    THR 145           H        THR 145   3.012 -16.400  -5.750
   98    HA   THR 145           HA       THR 145   2.550 -13.663  -6.426
   99    HB   THR 145           HB       THR 145   0.293 -15.614  -6.999
  100    HG1  THR 145           HG1      THR 145   2.205 -14.657  -8.590
  101   HG21  THR 145          3HG2      THR 145  -0.496 -13.555  -5.926
  102   HG22  THR 145          1HG2      THR 145  -1.006 -13.635  -7.611
  103   HG23  THR 145          2HG2      THR 145   0.341 -12.597  -7.146
  104    HA   PRO 146           HA       PRO 146   1.436 -14.366  -2.070
  105    HB2  PRO 146           HB2      PRO 146   1.789 -11.476  -1.847
  106    HB3  PRO 146           HB1      PRO 146   2.660 -12.769  -1.021
  107    HG2  PRO 146           HG2      PRO 146   3.803 -11.205  -2.919
  108    HG3  PRO 146           HG1      PRO 146   4.283 -12.889  -2.639
  109    HD2  PRO 146           HD2      PRO 146   2.523 -11.747  -4.776
  110    HD3  PRO 146           HD1      PRO 146   3.748 -13.029  -4.888
  111    H    GLU 147           H        GLU 147  -0.380 -13.515  -0.797
  112    HA   GLU 147           HA       GLU 147  -2.468 -12.521  -2.609
  113    HB2  GLU 147           HB2      GLU 147  -4.078 -13.644  -1.100
  114    HB3  GLU 147           HB1      GLU 147  -2.936 -14.759  -1.840
  115    HG2  GLU 147           HG2      GLU 147  -1.716 -14.986   0.172
  116    HG3  GLU 147           HG1      GLU 147  -2.573 -13.640   0.924
  117    H    VAL 148           H        VAL 148  -3.826 -10.898  -1.994
  118    HA   VAL 148           HA       VAL 148  -3.080  -9.428   0.439
  119    HB   VAL 148           HB       VAL 148  -2.972  -8.007  -1.482
  120   HG11  VAL 148          1HG1      VAL 148  -4.312  -9.328  -3.015
  121   HG12  VAL 148          2HG1      VAL 148  -4.848  -7.650  -2.998
  122   HG13  VAL 148          3HG1      VAL 148  -5.779  -8.883  -2.144
  123   HG21  VAL 148          3HG2      VAL 148  -5.547  -7.464  -0.005
  124   HG22  VAL 148          1HG2      VAL 148  -4.650  -6.293  -0.972
  125   HG23  VAL 148          2HG2      VAL 148  -3.929  -6.963   0.491
  126    H    ASP 149           H        ASP 149  -4.489  -9.172   2.068
  127    HA   ASP 149           HA       ASP 149  -7.121 -10.434   1.764
  128    HB2  ASP 149           HB2      ASP 149  -5.590 -11.326   3.544
  129    HB3  ASP 149           HB1      ASP 149  -5.663  -9.749   4.326
  130    H    LEU 150           H        LEU 150  -8.919  -9.218   1.918
  131    HA   LEU 150           HA       LEU 150  -8.549  -6.389   2.654
  132    HB2  LEU 150           HB2      LEU 150 -10.624  -7.681   0.882
  133    HB3  LEU 150           HB1      LEU 150 -10.593  -5.978   1.308
  134    HG   LEU 150           HG       LEU 150  -8.409  -7.402  -0.222
  135   HD11  LEU 150          1HD1      LEU 150 -10.542  -5.517  -1.193
  136   HD12  LEU 150          2HD1      LEU 150 -10.478  -7.252  -1.511
  137   HD13  LEU 150          3HD1      LEU 150  -9.225  -6.190  -2.153
  138   HD21  LEU 150          3HD2      LEU 150  -7.554  -5.180  -0.648
  139   HD22  LEU 150          1HD2      LEU 150  -7.652  -5.462   1.091
  140   HD23  LEU 150          2HD2      LEU 150  -8.871  -4.468   0.287
  141    H    TYR 151           H        TYR 151  -9.444  -9.110   4.038
  142    HA   TYR 151           HA       TYR 151 -11.934  -8.250   5.254
  143    HB2  TYR 151           HB2      TYR 151 -11.274 -10.676   4.683
  144    HB3  TYR 151           HB1      TYR 151 -10.233 -10.597   6.097
  145    HD1  TYR 151           HD1      TYR 151 -13.715 -10.591   4.927
  146    HD2  TYR 151           HD2      TYR 151 -11.150 -10.697   8.318
  147    HE1  TYR 151           HE1      TYR 151 -15.619 -11.234   6.338
  148    HE2  TYR 151           HE2      TYR 151 -13.050 -11.337   9.739
  149    HH   TYR 151           HH       TYR 151 -16.009 -12.387   8.478
  150    H    GLN 152           H        GLN 152  -8.531  -8.250   5.856
  151    HA   GLN 152           HA       GLN 152  -8.494  -7.550   8.582
  152    HB2  GLN 152           HB2      GLN 152  -6.302  -6.366   7.881
  153    HB3  GLN 152           HB1      GLN 152  -6.405  -8.113   7.703
  154    HG2  GLN 152           HG2      GLN 152  -6.422  -8.020   5.436
  155    HG3  GLN 152           HG1      GLN 152  -7.214  -6.447   5.396
  156   HE21  GLN 152          1HE2      GLN 152  -4.174  -8.123   5.764
  157   HE22  GLN 152          2HE2      GLN 152  -3.173  -6.740   5.452
  158    H    LEU 153           H        LEU 153  -9.224  -5.705   5.725
  159    HA   LEU 153           HA       LEU 153  -8.766  -3.118   6.733
  160    HB2  LEU 153           HB2      LEU 153 -10.734  -4.036   4.638
  161    HB3  LEU 153           HB1      LEU 153 -10.319  -2.364   4.955
  162    HG   LEU 153           HG       LEU 153  -8.510  -4.504   3.845
  163   HD11  LEU 153          1HD1      LEU 153  -8.429  -3.015   1.905
  164   HD12  LEU 153          2HD1      LEU 153  -9.568  -1.926   2.695
  165   HD13  LEU 153          3HD1      LEU 153 -10.073  -3.555   2.245
  166   HD21  LEU 153          3HD2      LEU 153  -7.873  -1.660   4.616
  167   HD22  LEU 153          1HD2      LEU 153  -6.819  -2.727   3.688
  168   HD23  LEU 153          2HD2      LEU 153  -7.223  -3.124   5.357
  169    H    GLN 154           H        GLN 154 -10.324  -1.524   7.322
  170    HA   GLN 154           HA       GLN 154 -12.260  -2.531   9.205
  171    HB2  GLN 154           HB2      GLN 154 -11.535   0.267   8.329
  172    HB3  GLN 154           HB1      GLN 154 -12.727  -0.089   9.572
  173    HG2  GLN 154           HG2      GLN 154 -11.086  -1.045  10.991
  174    HG3  GLN 154           HG1      GLN 154  -9.872  -1.014   9.712
  175   HE21  GLN 154          1HE2      GLN 154  -8.855   0.882   9.209
  176   HE22  GLN 154          2HE2      GLN 154  -8.968   2.307  10.194
  177    H    VAL 155           H        VAL 155 -14.502  -2.233   9.142
  178    HA   VAL 155           HA       VAL 155 -15.843  -2.647   6.746
  179    HB   VAL 155           HB       VAL 155 -16.898  -1.409   9.299
  180   HG11  VAL 155          1HG1      VAL 155 -19.122  -2.053   8.526
  181   HG12  VAL 155          2HG1      VAL 155 -18.436  -2.625   7.006
  182   HG13  VAL 155          3HG1      VAL 155 -18.372  -0.909   7.410
  183   HG21  VAL 155          3HG2      VAL 155 -17.735  -3.660   9.765
  184   HG22  VAL 155          1HG2      VAL 155 -15.978  -3.627   9.622
  185   HG23  VAL 155          2HG2      VAL 155 -16.958  -4.244   8.294
  186    H    ASN 156           H        ASN 156 -15.295   0.322   8.548
  187    HA   ASN 156           HA       ASN 156 -16.807   2.046   6.956
  188    HB2  ASN 156           HB2      ASN 156 -15.917   2.565   9.218
  189    HB3  ASN 156           HB1      ASN 156 -14.303   2.677   8.532
  190   HD21  ASN 156          1HD2      ASN 156 -14.066   4.784   9.189
  191   HD22  ASN 156          2HD2      ASN 156 -14.892   6.100   8.412
  192    H    THR 157           H        THR 157 -13.488   0.917   6.659
  193    HA   THR 157           HA       THR 157 -12.698   2.671   4.577
  194    HB   THR 157           HB       THR 157 -11.606  -0.084   5.191
  195    HG1  THR 157           HG1      THR 157 -10.238   0.941   6.641
  196   HG21  THR 157          3HG2      THR 157 -10.316   2.319   3.885
  197   HG22  THR 157          1HG2      THR 157 -10.837   0.851   3.055
  198   HG23  THR 157          2HG2      THR 157  -9.528   0.781   4.234
  199    H    LEU 158           H        LEU 158 -13.998  -0.627   4.618
  200    HA   LEU 158           HA       LEU 158 -13.860  -1.080   1.834
  201    HB2  LEU 158           HB2      LEU 158 -15.750  -2.260   3.874
  202    HB3  LEU 158           HB1      LEU 158 -15.468  -2.896   2.265
  203    HG   LEU 158           HG       LEU 158 -13.386  -2.723   4.442
  204   HD11  LEU 158          1HD1      LEU 158 -13.599  -5.149   4.558
  205   HD12  LEU 158          2HD1      LEU 158 -14.911  -5.094   3.381
  206   HD13  LEU 158          3HD1      LEU 158 -15.118  -4.353   4.967
  207   HD21  LEU 158          3HD2      LEU 158 -13.312  -3.994   1.709
  208   HD22  LEU 158          1HD2      LEU 158 -12.057  -4.136   2.940
  209   HD23  LEU 158          2HD2      LEU 158 -12.414  -2.565   2.222
  210    H    ARG 159           H        ARG 159 -16.343   0.294   3.913
  211    HA   ARG 159           HA       ARG 159 -18.312   0.529   1.864
  212    HB2  ARG 159           HB2      ARG 159 -18.053   1.992   4.498
  213    HB3  ARG 159           HB1      ARG 159 -19.472   2.024   3.461
  214    HG2  ARG 159           HG2      ARG 159 -19.644  -0.444   3.735
  215    HG3  ARG 159           HG1      ARG 159 -18.333  -0.351   4.913
  216    HD2  ARG 159           HD2      ARG 159 -20.397  -0.375   6.115
  217    HD3  ARG 159           HD1      ARG 159 -19.728   1.253   6.223
  218    HE   ARG 159           HE       ARG 159 -21.511   1.035   4.022
  219   HH11  ARG 159          1HH1      ARG 159 -21.465   1.282   7.525
  220   HH12  ARG 159          2HH1      ARG 159 -23.041   2.014   7.613
  221   HH21  ARG 159          1HH2      ARG 159 -23.567   2.027   4.141
  222   HH22  ARG 159          2HH2      ARG 159 -24.210   2.483   5.690
  223    H    ARG 160           H        ARG 160 -15.668   2.531   2.988
  224    HA   ARG 160           HA       ARG 160 -16.418   4.884   1.575
  225    HB2  ARG 160           HB2      ARG 160 -14.744   4.697   3.485
  226    HB3  ARG 160           HB1      ARG 160 -13.609   4.064   2.305
  227    HG2  ARG 160           HG2      ARG 160 -13.823   6.139   1.004
  228    HG3  ARG 160           HG1      ARG 160 -14.913   6.777   2.237
  229    HD2  ARG 160           HD2      ARG 160 -12.048   5.947   2.671
  230    HD3  ARG 160           HD1      ARG 160 -12.627   7.605   2.521
  231    HE   ARG 160           HE       ARG 160 -13.829   7.289   4.609
  232   HH11  ARG 160          1HH1      ARG 160 -11.390   4.903   3.793
  233   HH12  ARG 160          2HH1      ARG 160 -11.125   4.422   5.444
  234   HH21  ARG 160          1HH2      ARG 160 -13.469   6.656   6.796
  235   HH22  ARG 160          2HH2      ARG 160 -12.299   5.412   7.143
  236    H    TYR 161           H        TYR 161 -14.227   2.175   0.878
  237    HA   TYR 161           HA       TYR 161 -13.331   2.776  -1.624
  238    HB2  TYR 161           HB2      TYR 161 -12.760   0.724  -0.363
  239    HB3  TYR 161           HB1      TYR 161 -14.360   0.079  -0.713
  240    HD1  TYR 161           HD2      TYR 161 -14.943  -0.608  -3.008
  241    HD2  TYR 161           HD1      TYR 161 -11.024   0.720  -2.016
  242    HE1  TYR 161           HE2      TYR 161 -14.092  -1.577  -5.098
  243    HE2  TYR 161           HE1      TYR 161 -10.166  -0.242  -4.109
  244    HH   TYR 161           HH       TYR 161 -10.807  -2.009  -5.716
  245    H    LYS 162           H        LYS 162 -16.377   1.039  -0.940
  246    HA   LYS 162           HA       LYS 162 -17.144   1.039  -3.676
  247    HB2  LYS 162           HB2      LYS 162 -19.356   0.274  -2.853
  248    HB3  LYS 162           HB1      LYS 162 -18.004  -0.679  -2.261
  249    HG2  LYS 162           HG2      LYS 162 -18.107   0.496  -0.125
  250    HG3  LYS 162           HG1      LYS 162 -19.470   1.448  -0.717
  251    HD2  LYS 162           HD2      LYS 162 -20.196  -0.437   0.682
  252    HD3  LYS 162           HD1      LYS 162 -20.794  -0.569  -0.974
  253    HE2  LYS 162           HE2      LYS 162 -19.982  -2.721  -0.143
  254    HE3  LYS 162           HE1      LYS 162 -19.019  -2.150  -1.505
  255    HZ1  LYS 162           HZ1      LYS 162 -17.591  -3.021   0.200
  256    HZ2  LYS 162           HZ2      LYS 162 -18.272  -2.005   1.365
  257    HZ3  LYS 162           HZ3      LYS 162 -17.358  -1.346   0.104
  258    H    ARG 163           H        ARG 163 -17.656   3.321  -1.083
  259    HA   ARG 163           HA       ARG 163 -19.756   4.772  -2.314
  260    HB2  ARG 163           HB2      ARG 163 -19.251   5.065   0.042
  261    HB3  ARG 163           HB1      ARG 163 -17.651   5.682  -0.346
  262    HG2  ARG 163           HG2      ARG 163 -18.785   7.560  -1.570
  263    HG3  ARG 163           HG1      ARG 163 -20.308   6.985  -0.886
  264    HD2  ARG 163           HD2      ARG 163 -17.882   7.896   0.657
  265    HD3  ARG 163           HD1      ARG 163 -19.389   8.790   0.459
  266    HE   ARG 163           HE       ARG 163 -20.443   6.853   1.664
  267   HH11  ARG 163          1HH1      ARG 163 -17.088   7.735   2.166
  268   HH12  ARG 163          2HH1      ARG 163 -17.038   7.087   3.783
  269   HH21  ARG 163          1HH2      ARG 163 -20.366   6.004   3.792
  270   HH22  ARG 163          2HH2      ARG 163 -18.887   6.110   4.699
  271    H    HIS 164           H        HIS 164 -16.235   5.278  -2.268
  272    HA   HIS 164           HA       HIS 164 -16.323   7.636  -3.833
  273    HB2  HIS 164           HB2      HIS 164 -14.446   7.037  -2.313
  274    HB3  HIS 164           HB1      HIS 164 -13.979   5.764  -3.435
  275    HD1  HIS 164           HD1      HIS 164 -13.921   9.472  -2.965
  276    HD2  HIS 164           HD2      HIS 164 -12.706   6.658  -5.789
  277    HE1  HIS 164           HE1      HIS 164 -12.404  10.704  -4.552
  278    HE2  HIS 164           HE2      HIS 164 -11.835   9.035  -6.356
  279    H    PHE 165           H        PHE 165 -15.909   4.233  -4.636
  280    HA   PHE 165           HA       PHE 165 -15.402   4.893  -7.415
  281    HB2  PHE 165           HB2      PHE 165 -15.484   2.286  -5.913
  282    HB3  PHE 165           HB1      PHE 165 -15.340   2.358  -7.668
  283    HD1  PHE 165           HD2      PHE 165 -13.405   3.718  -8.632
  284    HD2  PHE 165           HD1      PHE 165 -13.594   2.455  -4.575
  285    HE1  PHE 165           HE2      PHE 165 -10.974   4.028  -8.429
  286    HE2  PHE 165           HE1      PHE 165 -11.164   2.765  -4.364
  287    HZ   PHE 165           HZ       PHE 165  -9.850   3.552  -6.292
  288    H    LYS 166           H        LYS 166 -18.090   4.752  -5.605
  289    HA   LYS 166           HA       LYS 166 -20.302   4.619  -6.007
  290    HB2  LYS 166           HB2      LYS 166 -19.321   5.002  -8.827
  291    HB3  LYS 166           HB1      LYS 166 -21.031   4.923  -8.427
  292    HG2  LYS 166           HG2      LYS 166 -19.089   6.914  -7.271
  293    HG3  LYS 166           HG1      LYS 166 -20.186   7.228  -8.618
  294    HD2  LYS 166           HD2      LYS 166 -21.050   6.380  -5.856
  295    HD3  LYS 166           HD1      LYS 166 -21.046   8.046  -6.440
  296    HE2  LYS 166           HE2      LYS 166 -22.645   7.478  -8.166
  297    HE3  LYS 166           HE1      LYS 166 -22.590   5.780  -7.695
  298    HZ1  LYS 166           HZ1      LYS 166 -23.474   7.963  -5.891
  299    HZ2  LYS 166           HZ2      LYS 166 -23.603   6.291  -5.624
  300    HZ3  LYS 166           HZ3      LYS 166 -24.535   7.032  -6.833
  301    H    LEU 167           H        LEU 167 -20.070   2.423  -5.192
  302    HA   LEU 167           HA       LEU 167 -20.882   0.456  -7.239
  303    HB2  LEU 167           HB2      LEU 167 -19.574  -0.043  -4.560
  304    HB3  LEU 167           HB1      LEU 167 -20.062  -1.279  -5.704
  305    HG   LEU 167           HG       LEU 167 -17.936   0.804  -6.217
  306   HD11  LEU 167          1HD1      LEU 167 -17.669  -2.127  -5.555
  307   HD12  LEU 167          2HD1      LEU 167 -17.254  -0.782  -4.492
  308   HD13  LEU 167          3HD1      LEU 167 -16.350  -1.036  -5.986
  309   HD21  LEU 167          3HD2      LEU 167 -17.397  -0.608  -8.162
  310   HD22  LEU 167          1HD2      LEU 167 -19.016   0.087  -8.261
  311   HD23  LEU 167          2HD2      LEU 167 -18.808  -1.605  -7.807
  312    HA   PRO 168           HA       PRO 168 -24.752   0.941  -4.970
  313    HB2  PRO 168           HB2      PRO 168 -26.202  -0.666  -6.633
  314    HB3  PRO 168           HB1      PRO 168 -25.849   1.030  -6.977
  315    HG2  PRO 168           HG2      PRO 168 -24.510  -1.433  -8.015
  316    HG3  PRO 168           HG1      PRO 168 -24.936   0.059  -8.873
  317    HD2  PRO 168           HD2      PRO 168 -22.420  -0.470  -8.026
  318    HD3  PRO 168           HD1      PRO 168 -23.074   1.177  -8.111
  319    H    THR 169           H        THR 169 -25.322  -0.193  -3.228
  320    HA   THR 169           HA       THR 169 -24.792  -3.087  -3.236
  321    HB   THR 169           HB       THR 169 -24.255  -2.840  -0.788
  322    HG1  THR 169           HG1      THR 169 -24.607  -0.148  -1.493
  323   HG21  THR 169          3HG2      THR 169 -22.441  -1.403  -2.728
  324   HG22  THR 169          1HG2      THR 169 -22.520  -3.150  -2.494
  325   HG23  THR 169          2HG2      THR 169 -21.961  -2.112  -1.184
  326    H    ARG 170           H        ARG 170 -25.975  -4.279  -1.536
  327    HA   ARG 170           HA       ARG 170 -28.743  -3.369  -1.450
  328    HB2  ARG 170           HB2      ARG 170 -27.420  -6.030  -0.952
  329    HB3  ARG 170           HB1      ARG 170 -29.087  -5.738  -0.491
  330    HG2  ARG 170           HG2      ARG 170 -29.059  -6.856  -2.596
  331    HG3  ARG 170           HG1      ARG 170 -29.597  -5.197  -2.854
  332    HD2  ARG 170           HD2      ARG 170 -27.370  -4.586  -3.640
  333    HD3  ARG 170           HD1      ARG 170 -26.802  -6.228  -3.342
  334    HE   ARG 170           HE       ARG 170 -28.733  -6.782  -5.019
  335   HH11  ARG 170          1HH1      ARG 170 -26.475  -4.096  -5.178
  336   HH12  ARG 170          2HH1      ARG 170 -26.536  -3.976  -6.910
  337   HH21  ARG 170          1HH2      ARG 170 -28.824  -6.618  -7.289
  338   HH22  ARG 170          2HH2      ARG 170 -27.868  -5.421  -8.112
  339    HA   PRO 171           HA       PRO 171 -28.657  -2.216   2.813
  340    HB2  PRO 171           HB2      PRO 171 -31.111  -3.141   3.630
  341    HB3  PRO 171           HB1      PRO 171 -30.864  -1.638   2.737
  342    HG2  PRO 171           HG2      PRO 171 -31.721  -4.321   1.742
  343    HG3  PRO 171           HG1      PRO 171 -32.307  -2.715   1.278
  344    HD2  PRO 171           HD2      PRO 171 -30.582  -4.107  -0.254
  345    HD3  PRO 171           HD1      PRO 171 -30.522  -2.335  -0.143
  346    H    GLY 172           H        GLY 172 -28.124  -3.057   4.789
  347    HA2  GLY 172           HA2      GLY 172 -27.759  -4.651   6.431
  348    HA3  GLY 172           HA1      GLY 172 -28.688  -5.800   5.480
  349    H    LEU 173           H        LEU 173 -25.740  -3.968   4.740
  350    HA   LEU 173           HA       LEU 173 -24.492  -6.257   3.570
  351    HB2  LEU 173           HB2      LEU 173 -23.445  -3.515   4.256
  352    HB3  LEU 173           HB1      LEU 173 -22.490  -4.742   3.447
  353    HG   LEU 173           HG       LEU 173 -25.058  -3.597   2.353
  354   HD11  LEU 173          1HD1      LEU 173 -23.312  -1.892   2.493
  355   HD12  LEU 173          2HD1      LEU 173 -23.640  -2.344   0.820
  356   HD13  LEU 173          3HD1      LEU 173 -22.200  -2.958   1.633
  357   HD21  LEU 173          3HD2      LEU 173 -24.565  -5.843   1.557
  358   HD22  LEU 173          1HD2      LEU 173 -22.934  -5.343   1.110
  359   HD23  LEU 173          2HD2      LEU 173 -24.328  -4.660   0.271
  360    H    ASN 174           H        ASN 174 -22.654  -7.349   4.284
  361    HA   ASN 174           HA       ASN 174 -22.069  -7.102   7.161
  362    HB2  ASN 174           HB2      ASN 174 -23.310  -9.219   6.223
  363    HB3  ASN 174           HB1      ASN 174 -21.710  -9.671   5.645
  364   HD21  ASN 174          1HD2      ASN 174 -23.343 -11.017   7.562
  365   HD22  ASN 174          2HD2      ASN 174 -22.446 -11.055   9.047
  366    H    LYS 175           H        LYS 175 -19.843  -8.017   7.680
  367    HA   LYS 175           HA       LYS 175 -17.877  -6.551   6.391
  368    HB2  LYS 175           HB2      LYS 175 -17.684  -7.481   8.673
  369    HB3  LYS 175           HB1      LYS 175 -17.504  -9.091   7.989
  370    HG2  LYS 175           HG2      LYS 175 -15.361  -8.109   8.673
  371    HG3  LYS 175           HG1      LYS 175 -15.418  -8.446   6.942
  372    HD2  LYS 175           HD2      LYS 175 -15.934  -6.091   6.506
  373    HD3  LYS 175           HD1      LYS 175 -15.867  -5.758   8.236
  374    HE2  LYS 175           HE2      LYS 175 -13.566  -6.879   6.658
  375    HE3  LYS 175           HE1      LYS 175 -13.804  -5.157   6.944
  376    HZ1  LYS 175           HZ1      LYS 175 -13.730  -5.631   9.348
  377    HZ2  LYS 175           HZ2      LYS 175 -12.289  -6.023   8.549
  378    HZ3  LYS 175           HZ3      LYS 175 -13.360  -7.251   9.006
  379    H    ALA 176           H        ALA 176 -18.487 -10.057   6.099
  380    HA   ALA 176           HA       ALA 176 -16.552 -10.592   4.153
  381    HB1  ALA 176           HB1      ALA 176 -17.680 -12.339   5.423
  382    HB2  ALA 176           HB2      ALA 176 -17.819 -12.627   3.689
  383    HB3  ALA 176           HB3      ALA 176 -19.193 -11.982   4.587
  384    H    GLN 177           H        GLN 177 -19.853  -9.412   3.836
  385    HA   GLN 177           HA       GLN 177 -20.105  -9.757   1.041
  386    HB2  GLN 177           HB2      GLN 177 -21.465  -7.852   2.954
  387    HB3  GLN 177           HB1      GLN 177 -21.889  -7.975   1.252
  388    HG2  GLN 177           HG2      GLN 177 -21.963 -10.343   3.089
  389    HG3  GLN 177           HG1      GLN 177 -23.327  -9.243   2.916
  390   HE21  GLN 177          1HE2      GLN 177 -21.172 -10.134   0.286
  391   HE22  GLN 177          2HE2      GLN 177 -22.338 -11.045  -0.606
  392    H    LEU 178           H        LEU 178 -19.038  -7.077   3.056
  393    HA   LEU 178           HA       LEU 178 -18.676  -5.200   0.999
  394    HB2  LEU 178           HB2      LEU 178 -17.221  -5.432   3.631
  395    HB3  LEU 178           HB1      LEU 178 -17.222  -4.018   2.593
  396    HG   LEU 178           HG       LEU 178 -19.622  -5.171   4.017
  397   HD11  LEU 178          1HD1      LEU 178 -18.100  -2.609   4.459
  398   HD12  LEU 178          2HD1      LEU 178 -18.038  -4.039   5.492
  399   HD13  LEU 178          3HD1      LEU 178 -19.543  -3.133   5.329
  400   HD21  LEU 178          3HD2      LEU 178 -19.379  -2.714   2.288
  401   HD22  LEU 178          1HD2      LEU 178 -20.811  -3.216   3.188
  402   HD23  LEU 178          2HD2      LEU 178 -20.218  -4.203   1.853
  403    H    VAL 179           H        VAL 179 -16.510  -7.601   2.404
  404    HA   VAL 179           HA       VAL 179 -14.166  -6.848   1.067
  405    HB   VAL 179           HB       VAL 179 -15.056  -9.519   2.161
  406   HG11  VAL 179          1HG1      VAL 179 -12.340  -8.684   1.163
  407   HG12  VAL 179          2HG1      VAL 179 -13.390  -9.906   0.449
  408   HG13  VAL 179          3HG1      VAL 179 -12.686 -10.169   2.045
  409   HG21  VAL 179          3HG2      VAL 179 -13.199  -7.387   3.209
  410   HG22  VAL 179          1HG2      VAL 179 -13.492  -8.945   3.978
  411   HG23  VAL 179          2HG2      VAL 179 -14.804  -7.775   3.828
  412    H    GLU 180           H        GLU 180 -16.715  -9.168   0.188
  413    HA   GLU 180           HA       GLU 180 -15.522 -10.116  -2.166
  414    HB2  GLU 180           HB2      GLU 180 -18.458  -9.843  -1.496
  415    HB3  GLU 180           HB1      GLU 180 -17.811 -10.789  -2.830
  416    HG2  GLU 180           HG2      GLU 180 -16.623 -12.218  -1.260
  417    HG3  GLU 180           HG1      GLU 180 -17.241 -11.262   0.087
  418    H    ILE 181           H        ILE 181 -17.755  -7.419  -1.631
  419    HA   ILE 181           HA       ILE 181 -17.997  -6.622  -4.325
  420    HB   ILE 181           HB       ILE 181 -18.194  -4.902  -1.841
  421   HG12  ILE 181          2HG1      ILE 181 -20.409  -6.276  -3.377
  422   HG13  ILE 181          1HG1      ILE 181 -19.690  -6.928  -1.908
  423   HG21  ILE 181          1HG2      ILE 181 -17.953  -3.581  -3.873
  424   HG22  ILE 181          2HG2      ILE 181 -19.584  -3.432  -3.219
  425   HG23  ILE 181          3HG2      ILE 181 -19.285  -4.463  -4.619
  426   HD11  ILE 181          3HD1      ILE 181 -21.781  -5.799  -1.430
  427   HD12  ILE 181          1HD1      ILE 181 -21.157  -4.311  -2.146
  428   HD13  ILE 181          2HD1      ILE 181 -20.429  -4.954  -0.674
  429    H    VAL 182           H        VAL 182 -15.865  -5.440  -1.726
  430    HA   VAL 182           HA       VAL 182 -14.501  -3.526  -3.270
  431    HB   VAL 182           HB       VAL 182 -13.586  -5.027  -0.806
  432   HG11  VAL 182          1HG1      VAL 182 -11.659  -4.189  -2.087
  433   HG12  VAL 182          2HG1      VAL 182 -11.862  -3.324  -0.562
  434   HG13  VAL 182          3HG1      VAL 182 -12.366  -2.573  -2.077
  435   HG21  VAL 182          3HG2      VAL 182 -14.111  -2.926   0.338
  436   HG22  VAL 182          1HG2      VAL 182 -15.532  -3.616  -0.450
  437   HG23  VAL 182          2HG2      VAL 182 -14.694  -2.249  -1.184
  438    H    GLY 183           H        GLY 183 -13.746  -6.920  -2.550
  439    HA2  GLY 183           HA2      GLY 183 -11.264  -6.996  -3.859
  440    HA3  GLY 183           HA1      GLY 183 -12.273  -8.385  -3.495
  441    H    CYS 184           H        CYS 184 -14.516  -7.680  -5.012
  442    HA   CYS 184           HA       CYS 184 -13.837  -8.672  -7.540
  443    HB2  CYS 184           HB2      CYS 184 -16.105  -8.817  -6.562
  444    HB3  CYS 184           HB1      CYS 184 -16.299  -7.083  -6.775
  445    HG   CYS 184           HG       CYS 184 -16.748  -7.075  -9.385
  446    H    HIS 185           H        HIS 185 -14.458  -5.361  -6.433
  447    HA   HIS 185           HA       HIS 185 -13.957  -4.241  -9.041
  448    HB2  HIS 185           HB2      HIS 185 -15.478  -3.205  -7.331
  449    HB3  HIS 185           HB1      HIS 185 -14.051  -2.799  -6.384
  450    HD1  HIS 185           HD1      HIS 185 -12.516  -0.908  -7.296
  451    HD2  HIS 185           HD2      HIS 185 -15.936  -1.594  -9.562
  452    HE1  HIS 185           HE1      HIS 185 -12.734   1.083  -8.823
  453    HE2  HIS 185           HE2      HIS 185 -14.756   0.604 -10.252
  454    H    PHE 186           H        PHE 186 -12.104  -4.948  -6.192
  455    HA   PHE 186           HA       PHE 186  -9.886  -3.279  -6.658
  456    HB2  PHE 186           HB2      PHE 186 -10.456  -4.392  -4.498
  457    HB3  PHE 186           HB1      PHE 186  -9.995  -5.934  -5.209
  458    HD1  PHE 186           HD1      PHE 186  -8.646  -2.543  -4.530
  459    HD2  PHE 186           HD2      PHE 186  -7.841  -6.696  -4.950
  460    HE1  PHE 186           HE1      PHE 186  -6.331  -2.164  -3.805
  461    HE2  PHE 186           HE2      PHE 186  -5.525  -6.330  -4.227
  462    HZ   PHE 186           HZ       PHE 186  -4.758  -4.053  -3.651
  463    H    LYS 187           H        LYS 187 -10.807  -6.434  -7.836
  464    HA   LYS 187           HA       LYS 187  -8.260  -6.944  -9.095
  465    HB2  LYS 187           HB2      LYS 187 -10.947  -8.282  -9.463
  466    HB3  LYS 187           HB1      LYS 187  -9.438  -8.850 -10.163
  467    HG2  LYS 187           HG2      LYS 187  -8.538  -9.175  -7.899
  468    HG3  LYS 187           HG1      LYS 187 -10.088  -8.662  -7.228
  469    HD2  LYS 187           HD2      LYS 187 -11.186 -10.525  -8.417
  470    HD3  LYS 187           HD1      LYS 187  -9.609 -11.050  -9.009
  471    HE2  LYS 187           HE2      LYS 187  -8.870 -11.325  -6.659
  472    HE3  LYS 187           HE1      LYS 187 -10.502 -10.915  -6.130
  473    HZ1  LYS 187           HZ1      LYS 187 -10.185 -13.305  -6.194
  474    HZ2  LYS 187           HZ2      LYS 187  -9.753 -13.237  -7.830
  475    HZ3  LYS 187           HZ3      LYS 187 -11.329 -12.843  -7.356
  476    H    SER 188           H        SER 188 -10.523  -4.709  -9.764
  477    HA   SER 188           HA       SER 188 -10.133  -4.918 -12.674
  478    HB2  SER 188           HB2      SER 188 -12.463  -5.508 -11.891
  479    HB3  SER 188           HB1      SER 188 -12.616  -3.853 -11.309
  480    HG   SER 188           HG       SER 188 -11.765  -3.718 -13.812
  481    H    ILE 189           H        ILE 189  -8.704  -3.392 -10.512
  482    HA   ILE 189           HA       ILE 189  -9.381  -0.627 -11.125
  483    HB   ILE 189           HB       ILE 189  -7.275  -1.792  -9.296
  484   HG12  ILE 189          2HG1      ILE 189  -9.874  -0.362  -8.704
  485   HG13  ILE 189          1HG1      ILE 189  -9.586  -2.088  -8.513
  486   HG21  ILE 189          1HG2      ILE 189  -8.035   1.086  -9.768
  487   HG22  ILE 189          2HG2      ILE 189  -6.494   0.323 -10.166
  488   HG23  ILE 189          3HG2      ILE 189  -6.975   0.514  -8.479
  489   HD11  ILE 189          3HD1      ILE 189  -7.933  -1.626  -6.789
  490   HD12  ILE 189          1HD1      ILE 189  -9.497  -0.920  -6.386
  491   HD13  ILE 189          2HD1      ILE 189  -8.197   0.106  -6.993
  492    HA   PRO 190           HA       PRO 190  -6.210  -0.622 -14.339
  493    HB2  PRO 190           HB2      PRO 190  -6.795   1.856 -15.264
  494    HB3  PRO 190           HB1      PRO 190  -7.747   0.432 -15.698
  495    HG2  PRO 190           HG2      PRO 190  -8.325   2.552 -13.670
  496    HG3  PRO 190           HG1      PRO 190  -9.430   1.756 -14.806
  497    HD2  PRO 190           HD2      PRO 190  -9.238   1.085 -12.167
  498    HD3  PRO 190           HD1      PRO 190  -9.726  -0.057 -13.437
  499    H    VAL 191           H        VAL 191  -4.170  -0.256 -13.716
  500    HA   VAL 191           HA       VAL 191  -3.568   2.229 -12.271
  501    HB   VAL 191           HB       VAL 191  -3.835   0.231 -10.738
  502   HG11  VAL 191          1HG1      VAL 191  -2.829  -1.468 -12.129
  503   HG12  VAL 191          2HG1      VAL 191  -1.965  -1.342 -10.596
  504   HG13  VAL 191          3HG1      VAL 191  -1.273  -0.639 -12.057
  505   HG21  VAL 191          3HG2      VAL 191  -1.902   0.785  -9.370
  506   HG22  VAL 191          1HG2      VAL 191  -2.643   2.233 -10.052
  507   HG23  VAL 191          2HG2      VAL 191  -1.152   1.595 -10.747
  508    H    ASN 192           H        ASN 192  -1.328   2.913 -12.439
  509    HA   ASN 192           HA       ASN 192   0.198   1.588 -14.576
  510    HB2  ASN 192           HB2      ASN 192  -0.856   3.496 -15.638
  511    HB3  ASN 192           HB1      ASN 192  -0.321   4.561 -14.341
  512   HD21  ASN 192          1HD2      ASN 192   0.679   2.680 -17.105
  513   HD22  ASN 192          2HD2      ASN 192   2.219   3.461 -17.324
  514    H    GLU 193           H        GLU 193   2.264   1.262 -14.083
  515    HA   GLU 193           HA       GLU 193   3.199   1.456 -11.501
  516    HB2  GLU 193           HB2      GLU 193   4.089  -0.011 -13.313
  517    HB3  GLU 193           HB1      GLU 193   4.910   1.390 -13.985
  518    HG2  GLU 193           HG2      GLU 193   6.205   1.617 -11.925
  519    HG3  GLU 193           HG1      GLU 193   5.384   0.205 -11.262
  520    H    LYS 194           H        LYS 194   4.396   3.447 -14.212
  521    HA   LYS 194           HA       LYS 194   6.082   5.057 -12.700
  522    HB2  LYS 194           HB2      LYS 194   6.126   4.836 -15.158
  523    HB3  LYS 194           HB1      LYS 194   4.657   5.794 -15.256
  524    HG2  LYS 194           HG2      LYS 194   6.476   7.229 -15.757
  525    HG3  LYS 194           HG1      LYS 194   5.910   7.657 -14.142
  526    HD2  LYS 194           HD2      LYS 194   7.722   6.369 -13.146
  527    HD3  LYS 194           HD1      LYS 194   8.265   5.872 -14.750
  528    HE2  LYS 194           HE2      LYS 194   8.207   8.691 -13.675
  529    HE3  LYS 194           HE1      LYS 194   9.639   7.689 -13.903
  530    HZ1  LYS 194           HZ1      LYS 194   8.990   7.612 -16.322
  531    HZ2  LYS 194           HZ2      LYS 194   9.536   9.112 -15.752
  532    HZ3  LYS 194           HZ3      LYS 194   7.876   8.847 -15.985
  533    H    ASP 195           H        ASP 195   2.794   5.791 -13.844
  534    HA   ASP 195           HA       ASP 195   2.718   8.390 -12.736
  535    HB2  ASP 195           HB2      ASP 195   1.247   7.871 -14.549
  536    HB3  ASP 195           HB1      ASP 195   0.523   6.535 -13.658
  537    H    THR 196           H        THR 196   1.428   5.294 -11.566
  538    HA   THR 196           HA       THR 196   0.080   6.429  -9.354
  539    HB   THR 196           HB       THR 196   0.984   3.583  -9.818
  540    HG1  THR 196           HG1      THR 196  -0.965   5.132 -10.877
  541   HG21  THR 196          3HG2      THR 196  -0.765   2.998  -8.177
  542   HG22  THR 196          1HG2      THR 196  -1.020   4.711  -7.853
  543   HG23  THR 196          2HG2      THR 196   0.526   3.959  -7.453
  544    H    LEU 197           H        LEU 197   3.325   5.019  -9.725
  545    HA   LEU 197           HA       LEU 197   4.083   5.181  -7.025
  546    HB2  LEU 197           HB2      LEU 197   5.733   5.496  -9.532
  547    HB3  LEU 197           HB1      LEU 197   6.423   5.438  -7.923
  548    HG   LEU 197           HG       LEU 197   4.942   3.226  -9.340
  549   HD11  LEU 197          1HD1      LEU 197   7.243   3.534 -10.059
  550   HD12  LEU 197          2HD1      LEU 197   7.084   2.051  -9.114
  551   HD13  LEU 197          3HD1      LEU 197   7.788   3.496  -8.383
  552   HD21  LEU 197          3HD2      LEU 197   6.067   3.263  -6.542
  553   HD22  LEU 197          1HD2      LEU 197   5.321   1.886  -7.353
  554   HD23  LEU 197          2HD2      LEU 197   4.352   3.306  -6.953
  555    H    THR 198           H        THR 198   4.287   7.531  -9.660
  556    HA   THR 198           HA       THR 198   5.475   9.634  -8.275
  557    HB   THR 198           HB       THR 198   3.387   9.839 -10.455
  558    HG1  THR 198           HG1      THR 198   5.179   8.586 -11.122
  559   HG21  THR 198          3HG2      THR 198   3.754  11.970  -9.335
  560   HG22  THR 198          1HG2      THR 198   4.468  12.001 -10.947
  561   HG23  THR 198          2HG2      THR 198   5.497  11.792  -9.530
  562    H    CYS 199           H        CYS 199   2.039   8.790  -8.606
  563    HA   CYS 199           HA       CYS 199   0.974  10.986  -7.229
  564    HB2  CYS 199           HB2      CYS 199  -0.143   8.174  -7.356
  565    HB3  CYS 199           HB1      CYS 199  -1.041   9.630  -6.944
  566    HG   CYS 199           HG       CYS 199   0.221   8.778 -10.002
  567    H    PHE 200           H        PHE 200   1.687   7.708  -6.019
  568    HA   PHE 200           HA       PHE 200   0.898   8.135  -3.380
  569    HB2  PHE 200           HB2      PHE 200   1.305   5.907  -4.271
  570    HB3  PHE 200           HB1      PHE 200   3.021   6.268  -4.453
  571    HD1  PHE 200           HD1      PHE 200   0.378   6.237  -1.821
  572    HD2  PHE 200           HD2      PHE 200   4.459   5.556  -2.811
  573    HE1  PHE 200           HE1      PHE 200   0.783   5.396   0.453
  574    HE2  PHE 200           HE2      PHE 200   4.870   4.710  -0.536
  575    HZ   PHE 200           HZ       PHE 200   3.031   4.628   1.097
  576    H    ILE 201           H        ILE 201   4.125   8.450  -4.831
  577    HA   ILE 201           HA       ILE 201   5.483   9.147  -2.479
  578    HB   ILE 201           HB       ILE 201   6.122   9.952  -5.328
  579   HG12  ILE 201          2HG1      ILE 201   7.239   7.683  -3.668
  580   HG13  ILE 201          1HG1      ILE 201   5.983   7.495  -4.886
  581   HG21  ILE 201          1HG2      ILE 201   8.413  10.294  -4.526
  582   HG22  ILE 201          2HG2      ILE 201   7.884   9.965  -2.876
  583   HG23  ILE 201          3HG2      ILE 201   7.277  11.383  -3.733
  584   HD11  ILE 201          3HD1      ILE 201   8.114   6.852  -5.798
  585   HD12  ILE 201          1HD1      ILE 201   8.813   8.410  -5.351
  586   HD13  ILE 201          2HD1      ILE 201   7.558   8.328  -6.589
  587    H    TYR 202           H        TYR 202   3.938  11.142  -4.963
  588    HA   TYR 202           HA       TYR 202   4.771  13.640  -3.943
  589    HB2  TYR 202           HB2      TYR 202   3.860  13.036  -6.279
  590    HB3  TYR 202           HB1      TYR 202   2.267  13.214  -5.559
  591    HD1  TYR 202           HD2      TYR 202   5.439  15.025  -6.199
  592    HD2  TYR 202           HD1      TYR 202   1.284  15.341  -5.354
  593    HE1  TYR 202           HE2      TYR 202   5.544  17.442  -6.625
  594    HE2  TYR 202           HE1      TYR 202   1.376  17.762  -5.780
  595    HH   TYR 202           HH       TYR 202   3.027  19.572  -5.779
  596    H    SER 203           H        SER 203   1.898  11.664  -3.354
  597    HA   SER 203           HA       SER 203   0.520  13.644  -1.859
  598    HB2  SER 203           HB2      SER 203   0.234  10.630  -1.837
  599    HB3  SER 203           HB1      SER 203  -0.879  11.753  -1.059
  600    HG   SER 203           HG       SER 203  -1.833  11.669  -2.941
  601    H    VAL 204           H        VAL 204   2.297  10.726  -0.770
  602    HA   VAL 204           HA       VAL 204   1.814  11.285   1.958
  603    HB   VAL 204           HB       VAL 204   3.971   9.495   0.826
  604   HG11  VAL 204          1HG1      VAL 204   4.267   9.878   3.189
  605   HG12  VAL 204          2HG1      VAL 204   3.660   8.239   2.931
  606   HG13  VAL 204          3HG1      VAL 204   2.571   9.508   3.494
  607   HG21  VAL 204          3HG2      VAL 204   1.089   8.873   1.459
  608   HG22  VAL 204          1HG2      VAL 204   2.318   7.690   1.008
  609   HG23  VAL 204          2HG2      VAL 204   1.819   8.927  -0.145
  610    H    ARG 205           H        ARG 205   4.402  12.228  -0.198
  611    HA   ARG 205           HA       ARG 205   6.143  13.071   1.934
  612    HB2  ARG 205           HB2      ARG 205   6.276  12.906  -0.980
  613    HB3  ARG 205           HB1      ARG 205   7.063  14.337  -0.331
  614    HG2  ARG 205           HG2      ARG 205   8.527  13.030   1.003
  615    HG3  ARG 205           HG1      ARG 205   7.621  11.556   0.666
  616    HD2  ARG 205           HD2      ARG 205   9.761  11.792  -0.612
  617    HD3  ARG 205           HD1      ARG 205   8.324  11.550  -1.606
  618    HE   ARG 205           HE       ARG 205   8.635  14.274  -1.448
  619   HH11  ARG 205          1HH1      ARG 205  10.701  11.620  -2.472
  620   HH12  ARG 205          2HH1      ARG 205  11.446  12.548  -3.737
  621   HH21  ARG 205          1HH2      ARG 205   9.621  15.480  -3.096
  622   HH22  ARG 205          2HH2      ARG 205  10.843  14.742  -4.100
  623    H    ASN 206           H        ASN 206   3.335  14.367   0.727
  624    HA   ASN 206           HA       ASN 206   4.132  17.034   1.704
  625    HB2  ASN 206           HB2      ASN 206   2.300  16.354  -0.596
  626    HB3  ASN 206           HB1      ASN 206   2.275  17.923   0.196
  627   HD21  ASN 206          1HD2      ASN 206   4.050  15.789  -1.882
  628   HD22  ASN 206          2HD2      ASN 206   5.233  16.952  -2.394
  629    H    ASP 207           H        ASP 207   1.129  15.286   0.928
  630    HA   ASP 207           HA       ASP 207   0.236  15.761   3.674
  631    HB2  ASP 207           HB2      ASP 207  -2.051  16.250   2.866
  632    HB3  ASP 207           HB1      ASP 207  -0.883  17.452   2.345
  633    H    LYS 208           H        LYS 208   0.246  13.788   4.485
  634    HA   LYS 208           HA       LYS 208  -0.471  11.508   2.867
  635    HB2  LYS 208           HB2      LYS 208   0.001  10.194   4.977
  636    HB3  LYS 208           HB1      LYS 208   1.361  11.080   4.312
  637    HG2  LYS 208           HG2      LYS 208  -0.202  12.482   6.386
  638    HG3  LYS 208           HG1      LYS 208   0.705  11.065   6.914
  639    HD2  LYS 208           HD2      LYS 208   1.857  13.436   5.437
  640    HD3  LYS 208           HD1      LYS 208   2.006  13.133   7.165
  641    HE2  LYS 208           HE2      LYS 208   3.193  11.037   6.670
  642    HE3  LYS 208           HE1      LYS 208   3.069  11.387   4.947
  643    HZ1  LYS 208           HZ1      LYS 208   4.530  12.988   6.976
  644    HZ2  LYS 208           HZ2      LYS 208   4.335  13.445   5.355
  645    HZ3  LYS 208           HZ3      LYS 208   5.218  12.046   5.743
  646    H    ASN 209           H        ASN 209  -2.565  11.737   2.395
  647    HA   ASN 209           HA       ASN 209  -4.816  11.708   2.585
  648    HB2  ASN 209           HB2      ASN 209  -4.461   9.769   4.126
  649    HB3  ASN 209           HB1      ASN 209  -4.417  10.897   5.477
  650   HD21  ASN 209          1HD2      ASN 209  -6.509  11.138   2.669
  651   HD22  ASN 209          2HD2      ASN 209  -7.990  10.892   3.522
  652    H    LYS 210           H        LYS 210  -4.907  13.878   2.230
  653    HA   LYS 210           HA       LYS 210  -4.315  15.975   3.849
  654    HB2  LYS 210           HB2      LYS 210  -6.000  17.298   2.565
  655    HB3  LYS 210           HB1      LYS 210  -4.882  16.383   1.570
  656    HG2  LYS 210           HG2      LYS 210  -7.596  15.299   2.241
  657    HG3  LYS 210           HG1      LYS 210  -7.362  16.434   0.913
  658    HD2  LYS 210           HD2      LYS 210  -5.601  14.036   1.067
  659    HD3  LYS 210           HD1      LYS 210  -7.267  13.822   0.532
  660    HE2  LYS 210           HE2      LYS 210  -5.717  14.146  -1.347
  661    HE3  LYS 210           HE1      LYS 210  -6.932  15.417  -1.260
  662    HZ1  LYS 210           HZ1      LYS 210  -4.159  15.684  -0.205
  663    HZ2  LYS 210           HZ2      LYS 210  -5.333  16.909  -0.341
  664    HZ3  LYS 210           HZ3      LYS 210  -4.665  16.220  -1.736
  665    H    SER 211           H        SER 211  -4.872  16.444   5.798
  666    HA   SER 211           HA       SER 211  -7.658  16.509   6.605
  667    HB2  SER 211           HB2      SER 211  -5.608  14.902   8.167
  668    HB3  SER 211           HB1      SER 211  -7.293  15.159   8.617
  669    HG   SER 211           HG       SER 211  -6.258  13.682   6.429
  670    H    ASP 212           H        ASP 212  -7.579  17.240   9.109
  671    HA   ASP 212           HA       ASP 212  -6.231  19.751   9.130
  672    HB2  ASP 212           HB2      ASP 212  -7.794  18.240  11.218
  673    HB3  ASP 212           HB1      ASP 212  -7.030  19.787  11.565
  674    H    LEU 213           H        LEU 213  -5.635  16.615  10.553
  675    HA   LEU 213           HA       LEU 213  -3.768  15.638  11.364
  676    HB2  LEU 213           HB2      LEU 213  -2.604  16.680   9.480
  677    HB3  LEU 213           HB1      LEU 213  -2.356  18.136  10.423
  678    HG   LEU 213           HG       LEU 213  -0.952  16.831  12.004
  679   HD11  LEU 213          1HD1      LEU 213  -0.174  14.608  11.327
  680   HD12  LEU 213          2HD1      LEU 213  -1.302  14.629   9.972
  681   HD13  LEU 213          3HD1      LEU 213  -1.912  14.626  11.627
  682   HD21  LEU 213          3HD2      LEU 213   0.090  18.101  10.220
  683   HD22  LEU 213          1HD2      LEU 213  -0.118  16.749   9.106
  684   HD23  LEU 213          2HD2      LEU 213   0.970  16.596  10.486
  685    H    LYS 214           H        LYS 214  -2.669  18.907  12.116
  686    HA   LYS 214           HA       LYS 214  -3.637  19.138  14.710
  687    HB2  LYS 214           HB2      LYS 214  -2.277  17.090  15.129
  688    HB3  LYS 214           HB1      LYS 214  -0.840  17.976  14.636
  689    HG2  LYS 214           HG2      LYS 214  -1.045  19.466  16.508
  690    HG3  LYS 214           HG1      LYS 214  -2.596  18.753  16.955
  691    HD2  LYS 214           HD2      LYS 214  -0.828  17.898  18.388
  692    HD3  LYS 214           HD1      LYS 214  -1.475  16.607  17.375
  693    HE2  LYS 214           HE2      LYS 214   0.419  16.915  15.827
  694    HE3  LYS 214           HE1      LYS 214   1.079  18.141  16.907
  695    HZ1  LYS 214           HZ1      LYS 214   1.198  16.428  18.648
  696    HZ2  LYS 214           HZ2      LYS 214   2.152  16.043  17.300
  697    HZ3  LYS 214           HZ3      LYS 214   0.663  15.267  17.533
  698    H    ALA 215           H        ALA 215  -3.530  21.269  14.951
  699    HA   ALA 215           HA       ALA 215  -1.276  22.712  13.710
  700    HB1  ALA 215           HB1      ALA 215  -4.056  23.697  14.352
  701    HB2  ALA 215           HB2      ALA 215  -3.444  23.270  12.753
  702    HB3  ALA 215           HB3      ALA 215  -2.772  24.654  13.617
  703    H    ASP 216           H        ASP 216  -0.008  23.998  14.920
  704    HA   ASP 216           HA       ASP 216  -0.607  24.124  17.798
  705    HB2  ASP 216           HB2      ASP 216   2.037  24.387  16.346
  706    HB3  ASP 216           HB1      ASP 216   1.830  24.586  18.081
  707    H    SER 217           H        SER 217  -1.970  25.920  17.693
  708    HA   SER 217           HA       SER 217  -0.656  28.443  16.934
  709    HB2  SER 217           HB2      SER 217  -3.621  27.843  17.084
  710    HB3  SER 217           HB1      SER 217  -2.892  29.364  16.567
  711    HG   SER 217           HG       SER 217  -1.746  27.630  15.048
  712    H    GLY 218           H        GLY 218  -1.214  30.325  18.272
  713    HA2  GLY 218           HA2      GLY 218  -2.085  31.141  20.397
  714    HA3  GLY 218           HA1      GLY 218  -1.782  29.542  21.066
  715    H    VAL 219           H        VAL 219   0.422  28.862  21.356
  716    HA   VAL 219           HA       VAL 219   2.349  31.092  21.428
  717    HB   VAL 219           HB       VAL 219   3.356  30.119  23.455
  718   HG11  VAL 219          1HG1      VAL 219   1.630  30.805  25.036
  719   HG12  VAL 219          2HG1      VAL 219   0.417  30.718  23.759
  720   HG13  VAL 219          3HG1      VAL 219   1.711  31.913  23.665
  721   HG21  VAL 219          3HG2      VAL 219   2.679  27.803  23.177
  722   HG22  VAL 219          1HG2      VAL 219   0.989  28.249  23.406
  723   HG23  VAL 219          2HG2      VAL 219   2.133  28.415  24.738
  724    H    HIS 220           H        HIS 220   4.595  30.452  21.245
  725    HA   HIS 220           HA       HIS 220   4.853  28.073  19.546
  726    HB2  HIS 220           HB2      HIS 220   6.645  30.486  19.845
  727    HB3  HIS 220           HB1      HIS 220   7.024  29.093  18.842
  728    HD1  HIS 220           HD1      HIS 220   4.863  28.574  17.061
  729    HD2  HIS 220           HD2      HIS 220   5.527  32.456  18.395
  730    HE1  HIS 220           HE1      HIS 220   3.718  30.068  15.393
  731    HE2  HIS 220           HE2      HIS 220   4.295  32.414  16.121
  732    H1   SER 454           HT1      SER 454  27.935  10.439   0.996
  733    H2   SER 454           HT2      SER 454  26.460   9.641   1.251
  734    H3   SER 454           HT3      SER 454  26.544  11.331   1.375
  735    HA   SER 454           HA       SER 454  26.999   9.757  -1.089
  736    HB2  SER 454           HB2      SER 454  24.644   9.726  -0.441
  737    HB3  SER 454           HB1      SER 454  24.655  11.474  -0.222
  738    HG   SER 454           HG       SER 454  24.016  10.213  -2.393
  739    H    ASN 455           H        ASN 455  27.323  11.008  -2.966
  740    HA   ASN 455           HA       ASN 455  28.688  13.521  -2.486
  741    HB2  ASN 455           HB2      ASN 455  29.429  13.401  -4.743
  742    HB3  ASN 455           HB1      ASN 455  29.490  11.754  -4.131
  743   HD21  ASN 455          1HD2      ASN 455  28.043  10.226  -4.915
  744   HD22  ASN 455          2HD2      ASN 455  27.115  10.496  -6.351
  745    H    ALA 456           H        ALA 456  25.558  12.511  -3.179
  746    HA   ALA 456           HA       ALA 456  24.822  14.831  -4.761
  747    HB1  ALA 456           HB1      ALA 456  22.606  13.823  -4.844
  748    HB2  ALA 456           HB2      ALA 456  23.117  12.585  -3.697
  749    HB3  ALA 456           HB3      ALA 456  23.847  12.657  -5.301
  750    H    SER 457           H        SER 457  24.544  16.688  -3.765
  751    HA   SER 457           HA       SER 457  23.581  16.752  -1.006
  752    HB2  SER 457           HB2      SER 457  24.526  19.034  -2.759
  753    HB3  SER 457           HB1      SER 457  24.262  19.085  -1.015
  754    HG   SER 457           HG       SER 457  25.898  17.352  -0.927
  755    H    LYS 458           H        LYS 458  22.578  17.395  -4.249
  756    HA   LYS 458           HA       LYS 458  20.091  18.623  -3.269
  757    HB2  LYS 458           HB2      LYS 458  19.752  19.356  -5.618
  758    HB3  LYS 458           HB1      LYS 458  21.214  20.011  -4.899
  759    HG2  LYS 458           HG2      LYS 458  22.597  18.547  -6.134
  760    HG3  LYS 458           HG1      LYS 458  21.222  17.563  -6.638
  761    HD2  LYS 458           HD2      LYS 458  21.991  18.988  -8.461
  762    HD3  LYS 458           HD1      LYS 458  20.364  19.437  -7.953
  763    HE2  LYS 458           HE2      LYS 458  21.268  21.292  -6.658
  764    HE3  LYS 458           HE1      LYS 458  22.906  20.839  -7.131
  765    HZ1  LYS 458           HZ1      LYS 458  22.377  21.304  -9.414
  766    HZ2  LYS 458           HZ2      LYS 458  21.990  22.665  -8.475
  767    HZ3  LYS 458           HZ3      LYS 458  20.758  21.636  -9.024
  768    H    HIS 459           H        HIS 459  18.118  17.759  -3.786
  769    HA   HIS 459           HA       HIS 459  16.557  16.220  -4.379
  770    HB2  HIS 459           HB2      HIS 459  18.538  15.564  -6.572
  771    HB3  HIS 459           HB1      HIS 459  16.873  15.000  -6.514
  772    HD1  HIS 459           HD1      HIS 459  17.770  16.591  -8.923
  773    HD2  HIS 459           HD2      HIS 459  16.108  18.335  -5.526
  774    HE1  HIS 459           HE1      HIS 459  16.856  18.818  -9.675
  775    HE2  HIS 459           HE2      HIS 459  15.906  19.884  -7.592
  776    H    GLY 460           H        GLY 460  18.321  15.472  -2.335
  777    HA2  GLY 460           HA2      GLY 460  19.263  12.785  -2.752
  778    HA3  GLY 460           HA1      GLY 460  19.202  13.643  -1.221
  779    H    VAL 461           H        VAL 461  16.695  12.715  -3.554
  780    HA   VAL 461           HA       VAL 461  15.306  11.264  -1.394
  781    HB   VAL 461           HB       VAL 461  13.153  12.022  -2.433
  782   HG11  VAL 461          1HG1      VAL 461  13.186  14.250  -1.431
  783   HG12  VAL 461          2HG1      VAL 461  14.949  14.217  -1.403
  784   HG13  VAL 461          3HG1      VAL 461  14.031  13.084  -0.412
  785   HG21  VAL 461          3HG2      VAL 461  13.185  13.977  -3.899
  786   HG22  VAL 461          1HG2      VAL 461  14.024  12.614  -4.640
  787   HG23  VAL 461          2HG2      VAL 461  14.948  13.935  -3.924
  788    H    GLY 462           H        GLY 462  17.067  10.460  -3.707
  789    HA2  GLY 462           HA2      GLY 462  15.363   9.137  -5.601
  790    HA3  GLY 462           HA1      GLY 462  17.101   8.928  -5.436
  791    H    THR 463           H        THR 463  15.797   8.503  -2.450
  792    HA   THR 463           HA       THR 463  16.349   5.726  -2.422
  793    HB   THR 463           HB       THR 463  15.313   5.905  -0.075
  794    HG1  THR 463           HG1      THR 463  14.124   7.895  -0.596
  795   HG21  THR 463          3HG2      THR 463  17.653   7.650  -0.852
  796   HG22  THR 463          1HG2      THR 463  17.716   5.926  -0.488
  797   HG23  THR 463          2HG2      THR 463  17.302   7.080   0.781
  798    H    GLU 464           H        GLU 464  13.456   7.604  -2.873
  799    HA   GLU 464           HA       GLU 464  11.555   5.600  -2.363
  800    HB2  GLU 464           HB2      GLU 464  11.511   8.036  -4.135
  801    HB3  GLU 464           HB1      GLU 464  10.140   6.942  -4.043
  802    HG2  GLU 464           HG2      GLU 464   9.652   8.682  -2.558
  803    HG3  GLU 464           HG1      GLU 464  10.158   7.334  -1.545
  804    H    SER 465           H        SER 465  13.188   6.544  -5.377
  805    HA   SER 465           HA       SER 465  12.056   4.591  -7.032
  806    HB2  SER 465           HB2      SER 465  14.839   5.774  -7.213
  807    HB3  SER 465           HB1      SER 465  13.925   5.033  -8.528
  808    HG   SER 465           HG       SER 465  12.419   6.710  -8.376
  809    H    LEU 466           H        LEU 466  14.895   4.526  -4.931
  810    HA   LEU 466           HA       LEU 466  15.863   1.983  -5.572
  811    HB2  LEU 466           HB2      LEU 466  17.185   3.458  -4.230
  812    HB3  LEU 466           HB1      LEU 466  15.934   3.569  -3.008
  813    HG   LEU 466           HG       LEU 466  16.320   1.210  -2.402
  814   HD11  LEU 466          1HD1      LEU 466  17.107   0.400  -4.568
  815   HD12  LEU 466          2HD1      LEU 466  18.249   0.018  -3.281
  816   HD13  LEU 466          3HD1      LEU 466  18.582   1.349  -4.389
  817   HD21  LEU 466          3HD2      LEU 466  18.520   1.539  -1.364
  818   HD22  LEU 466          1HD2      LEU 466  17.489   2.960  -1.198
  819   HD23  LEU 466          2HD2      LEU 466  18.784   2.947  -2.395
  820    H    PHE 467           H        PHE 467  13.625   2.965  -2.982
  821    HA   PHE 467           HA       PHE 467  13.020   0.476  -1.947
  822    HB2  PHE 467           HB2      PHE 467  12.252   2.460  -0.845
  823    HB3  PHE 467           HB1      PHE 467  11.296   2.936  -2.244
  824    HD1  PHE 467           HD1      PHE 467  11.577   0.357   0.405
  825    HD2  PHE 467           HD2      PHE 467   9.073   2.278  -2.444
  826    HE1  PHE 467           HE1      PHE 467   9.620  -0.780   1.367
  827    HE2  PHE 467           HE2      PHE 467   7.111   1.145  -1.488
  828    HZ   PHE 467           HZ       PHE 467   7.383  -0.385   0.419
  829    H    PHE 468           H        PHE 468  11.216   2.195  -4.510
  830    HA   PHE 468           HA       PHE 468   9.298   0.152  -4.781
  831    HB2  PHE 468           HB2      PHE 468  10.048   2.432  -6.603
  832    HB3  PHE 468           HB1      PHE 468   8.706   1.336  -6.929
  833    HD1  PHE 468           HD2      PHE 468   7.183   0.975  -4.697
  834    HD2  PHE 468           HD1      PHE 468   9.447   4.443  -5.673
  835    HE1  PHE 468           HE2      PHE 468   5.717   2.334  -3.259
  836    HE2  PHE 468           HE1      PHE 468   7.988   5.803  -4.238
  837    HZ   PHE 468           HZ       PHE 468   6.122   4.750  -3.025
  838    H    ASP 469           H        ASP 469  12.328   0.754  -6.524
  839    HA   ASP 469           HA       ASP 469  11.915  -1.278  -8.461
  840    HB2  ASP 469           HB2      ASP 469  13.654   0.418  -8.780
  841    HB3  ASP 469           HB1      ASP 469  14.527  -0.197  -7.380
  842    H    LYS 470           H        LYS 470  13.425  -1.249  -5.266
  843    HA   LYS 470           HA       LYS 470  14.303  -3.918  -5.259
  844    HB2  LYS 470           HB2      LYS 470  15.039  -2.222  -3.618
  845    HB3  LYS 470           HB1      LYS 470  13.429  -2.215  -2.916
  846    HG2  LYS 470           HG2      LYS 470  13.699  -4.568  -2.289
  847    HG3  LYS 470           HG1      LYS 470  15.324  -4.550  -2.977
  848    HD2  LYS 470           HD2      LYS 470  14.504  -2.609  -0.846
  849    HD3  LYS 470           HD1      LYS 470  15.086  -4.225  -0.440
  850    HE2  LYS 470           HE2      LYS 470  17.159  -3.754  -1.700
  851    HE3  LYS 470           HE1      LYS 470  16.571  -2.122  -2.016
  852    HZ1  LYS 470           HZ1      LYS 470  16.876  -3.165   0.744
  853    HZ2  LYS 470           HZ2      LYS 470  16.751  -1.548   0.231
  854    HZ3  LYS 470           HZ3      LYS 470  18.159  -2.432  -0.087
  855    H    VAL 471           H        VAL 471  11.262  -2.432  -4.184
  856    HA   VAL 471           HA       VAL 471   9.972  -4.750  -3.270
  857    HB   VAL 471           HB       VAL 471   8.786  -2.290  -4.570
  858   HG11  VAL 471          1HG1      VAL 471   7.192  -4.112  -4.685
  859   HG12  VAL 471          2HG1      VAL 471   6.683  -2.938  -3.472
  860   HG13  VAL 471          3HG1      VAL 471   7.428  -4.456  -2.971
  861   HG21  VAL 471          3HG2      VAL 471  10.054  -1.822  -2.544
  862   HG22  VAL 471          1HG2      VAL 471   9.108  -3.026  -1.668
  863   HG23  VAL 471          2HG2      VAL 471   8.326  -1.571  -2.290
  864    H    ARG 472           H        ARG 472   9.873  -3.191  -6.447
  865    HA   ARG 472           HA       ARG 472   8.151  -4.969  -7.736
  866    HB2  ARG 472           HB2      ARG 472   8.835  -2.725  -8.545
  867    HB3  ARG 472           HB1      ARG 472  10.421  -3.362  -8.928
  868    HG2  ARG 472           HG2      ARG 472   9.362  -4.887 -10.529
  869    HG3  ARG 472           HG1      ARG 472   7.804  -4.144 -10.177
  870    HD2  ARG 472           HD2      ARG 472   8.853  -3.232 -12.216
  871    HD3  ARG 472           HD1      ARG 472   8.595  -2.010 -10.973
  872    HE   ARG 472           HE       ARG 472  11.107  -2.689 -10.469
  873   HH11  ARG 472          1HH1      ARG 472   9.531  -2.013 -13.519
  874   HH12  ARG 472          2HH1      ARG 472  10.981  -1.448 -14.293
  875   HH21  ARG 472          1HH2      ARG 472  13.020  -1.906 -11.465
  876   HH22  ARG 472          2HH2      ARG 472  12.956  -1.399 -13.132
  877    H    LYS 473           H        LYS 473  11.586  -5.129  -7.148
  878    HA   LYS 473           HA       LYS 473  12.023  -7.309  -8.996
  879    HB2  LYS 473           HB2      LYS 473  13.654  -5.461  -8.598
  880    HB3  LYS 473           HB1      LYS 473  13.890  -6.075  -6.970
  881    HG2  LYS 473           HG2      LYS 473  14.818  -8.129  -7.837
  882    HG3  LYS 473           HG1      LYS 473  14.483  -7.608  -9.493
  883    HD2  LYS 473           HD2      LYS 473  16.319  -6.202  -7.549
  884    HD3  LYS 473           HD1      LYS 473  16.836  -7.246  -8.875
  885    HE2  LYS 473           HE2      LYS 473  15.937  -5.738 -10.503
  886    HE3  LYS 473           HE1      LYS 473  15.177  -4.756  -9.251
  887    HZ1  LYS 473           HZ1      LYS 473  17.315  -3.884 -10.215
  888    HZ2  LYS 473           HZ2      LYS 473  18.112  -5.144  -9.404
  889    HZ3  LYS 473           HZ3      LYS 473  17.252  -3.977  -8.522
  890    H    ALA 474           H        ALA 474  11.589  -6.861  -5.547
  891    HA   ALA 474           HA       ALA 474  12.526  -9.495  -4.857
  892    HB1  ALA 474           HB1      ALA 474  12.771  -7.620  -3.306
  893    HB2  ALA 474           HB2      ALA 474  11.846  -8.940  -2.592
  894    HB3  ALA 474           HB3      ALA 474  11.015  -7.499  -3.179
  895    H    LEU 475           H        LEU 475   9.371  -7.933  -5.257
  896    HA   LEU 475           HA       LEU 475   7.817 -10.059  -4.261
  897    HB2  LEU 475           HB2      LEU 475   7.147  -7.924  -6.284
  898    HB3  LEU 475           HB1      LEU 475   5.971  -9.057  -5.645
  899    HG   LEU 475           HG       LEU 475   7.489  -6.971  -4.070
  900   HD11  LEU 475          1HD1      LEU 475   4.562  -7.228  -4.767
  901   HD12  LEU 475          2HD1      LEU 475   5.695  -6.059  -5.447
  902   HD13  LEU 475          3HD1      LEU 475   5.275  -5.987  -3.736
  903   HD21  LEU 475          3HD2      LEU 475   7.166  -8.987  -2.735
  904   HD22  LEU 475          1HD2      LEU 475   5.449  -8.994  -3.141
  905   HD23  LEU 475          2HD2      LEU 475   6.120  -7.685  -2.169
  906    H    ARG 476           H        ARG 476   9.155  -9.403  -7.430
  907    HA   ARG 476           HA       ARG 476   9.591 -10.742  -9.208
  908    HB2  ARG 476           HB2      ARG 476  10.199 -12.484  -7.599
  909    HB3  ARG 476           HB1      ARG 476   8.516 -12.971  -7.476
  910    HG2  ARG 476           HG2      ARG 476   8.574 -13.540  -9.900
  911    HG3  ARG 476           HG1      ARG 476  10.309 -13.220  -9.876
  912    HD2  ARG 476           HD2      ARG 476  10.585 -14.936  -8.138
  913    HD3  ARG 476           HD1      ARG 476   8.856 -15.269  -8.207
  914    HE   ARG 476           HE       ARG 476  10.617 -15.646 -10.550
  915   HH11  ARG 476          1HH1      ARG 476   8.097 -16.764  -8.390
  916   HH12  ARG 476          2HH1      ARG 476   7.899 -18.293  -9.196
  917   HH21  ARG 476          1HH2      ARG 476  10.366 -17.664 -11.614
  918   HH22  ARG 476          2HH2      ARG 476   9.200 -18.806 -11.014
  919    H    SER 477           H        SER 477   6.466 -10.840  -7.750
  920    HA   SER 477           HA       SER 477   5.195 -11.765 -10.199
  921    HB2  SER 477           HB2      SER 477   3.139 -11.479  -8.530
  922    HB3  SER 477           HB1      SER 477   4.186 -12.897  -8.478
  923    HG   SER 477           HG       SER 477   5.323 -11.953  -6.776
  924    H    ALA 478           H        ALA 478   4.486 -10.356 -11.632
  925    HA   ALA 478           HA       ALA 478   4.512  -7.568 -11.255
  926    HB1  ALA 478           HB1      ALA 478   4.721  -8.635 -13.449
  927    HB2  ALA 478           HB2      ALA 478   3.421  -7.442 -13.425
  928    HB3  ALA 478           HB3      ALA 478   3.039  -9.162 -13.349
  929    H    GLU 479           H        GLU 479   1.893  -9.942 -11.153
  930    HA   GLU 479           HA       GLU 479  -0.253  -8.160 -10.901
  931    HB2  GLU 479           HB2      GLU 479   0.066 -10.968  -9.830
  932    HB3  GLU 479           HB1      GLU 479  -1.452 -10.085  -9.842
  933    HG2  GLU 479           HG2      GLU 479  -1.494 -11.545 -11.687
  934    HG3  GLU 479           HG1      GLU 479  -1.230  -9.929 -12.333
  935    H    ALA 480           H        ALA 480   1.970  -9.446  -8.498
  936    HA   ALA 480           HA       ALA 480   0.496  -8.537  -6.234
  937    HB1  ALA 480           HB1      ALA 480   3.435  -9.179  -6.407
  938    HB2  ALA 480           HB2      ALA 480   2.159 -10.361  -6.122
  939    HB3  ALA 480           HB3      ALA 480   2.456  -9.083  -4.942
  940    H    TYR 481           H        TYR 481   3.091  -7.190  -8.211
  941    HA   TYR 481           HA       TYR 481   3.429  -4.876  -6.581
  942    HB2  TYR 481           HB2      TYR 481   5.122  -5.760  -8.254
  943    HB3  TYR 481           HB1      TYR 481   4.096  -5.093  -9.521
  944    HD1  TYR 481           HD1      TYR 481   6.025  -4.168  -6.485
  945    HD2  TYR 481           HD2      TYR 481   4.265  -2.823 -10.114
  946    HE1  TYR 481           HE1      TYR 481   7.103  -1.978  -6.190
  947    HE2  TYR 481           HE2      TYR 481   5.335  -0.631  -9.827
  948    HH   TYR 481           HH       TYR 481   6.262   0.751  -8.049
  949    H    GLU 482           H        GLU 482   1.444  -5.705  -9.368
  950    HA   GLU 482           HA       GLU 482   0.274  -3.181  -9.770
  951    HB2  GLU 482           HB2      GLU 482  -0.001  -5.061 -11.344
  952    HB3  GLU 482           HB1      GLU 482  -0.970  -5.913 -10.150
  953    HG2  GLU 482           HG2      GLU 482  -2.657  -4.182 -10.235
  954    HG3  GLU 482           HG1      GLU 482  -1.679  -3.259 -11.374
  955    H    ASN 483           H        ASN 483  -0.622  -5.891  -7.684
  956    HA   ASN 483           HA       ASN 483  -2.875  -4.859  -6.446
  957    HB2  ASN 483           HB2      ASN 483  -2.519  -6.994  -5.727
  958    HB3  ASN 483           HB1      ASN 483  -0.768  -6.816  -5.724
  959   HD21  ASN 483          1HD2      ASN 483  -3.698  -6.336  -3.910
  960   HD22  ASN 483          2HD2      ASN 483  -2.935  -6.129  -2.377
  961    H    PHE 484           H        PHE 484   0.512  -4.470  -5.504
  962    HA   PHE 484           HA       PHE 484   0.228  -2.775  -3.335
  963    HB2  PHE 484           HB2      PHE 484   2.355  -3.757  -3.901
  964    HB3  PHE 484           HB1      PHE 484   2.380  -2.937  -5.454
  965    HD1  PHE 484           HD1      PHE 484   2.478  -2.343  -1.799
  966    HD2  PHE 484           HD2      PHE 484   3.393  -0.862  -5.683
  967    HE1  PHE 484           HE1      PHE 484   3.763  -0.506  -0.790
  968    HE2  PHE 484           HE2      PHE 484   4.679   0.978  -4.679
  969    HZ   PHE 484           HZ       PHE 484   4.865   1.157  -2.230
  970    H    LEU 485           H        LEU 485   0.567  -1.953  -6.762
  971    HA   LEU 485           HA       LEU 485   0.458   0.839  -6.440
  972    HB2  LEU 485           HB2      LEU 485  -0.266  -0.859  -8.823
  973    HB3  LEU 485           HB1      LEU 485  -0.026   0.878  -8.859
  974    HG   LEU 485           HG       LEU 485   2.089  -1.157  -8.160
  975   HD11  LEU 485          1HD1      LEU 485   3.081  -0.495 -10.304
  976   HD12  LEU 485          2HD1      LEU 485   1.660   0.496 -10.640
  977   HD13  LEU 485          3HD1      LEU 485   1.504  -1.255 -10.506
  978   HD21  LEU 485          3HD2      LEU 485   2.431   0.953  -7.003
  979   HD22  LEU 485          1HD2      LEU 485   2.249   1.832  -8.521
  980   HD23  LEU 485          2HD2      LEU 485   3.623   0.752  -8.288
  981    H    ARG 486           H        ARG 486  -2.076  -1.581  -6.792
  982    HA   ARG 486           HA       ARG 486  -4.170   0.275  -7.263
  983    HB2  ARG 486           HB2      ARG 486  -4.295  -2.502  -6.103
  984    HB3  ARG 486           HB1      ARG 486  -5.691  -1.557  -6.607
  985    HG2  ARG 486           HG2      ARG 486  -4.649  -1.469  -8.901
  986    HG3  ARG 486           HG1      ARG 486  -3.497  -2.678  -8.321
  987    HD2  ARG 486           HD2      ARG 486  -5.850  -3.759  -7.528
  988    HD3  ARG 486           HD1      ARG 486  -6.334  -2.937  -9.011
  989    HE   ARG 486           HE       ARG 486  -4.552  -4.234 -10.136
  990   HH11  ARG 486          1HH1      ARG 486  -5.867  -5.327  -7.091
  991   HH12  ARG 486          2HH1      ARG 486  -5.462  -6.996  -7.359
  992   HH21  ARG 486          1HH2      ARG 486  -4.002  -6.418 -10.522
  993   HH22  ARG 486          2HH2      ARG 486  -4.387  -7.621  -9.327
  994    H    CYS 487           H        CYS 487  -2.838  -1.194  -4.323
  995    HA   CYS 487           HA       CYS 487  -4.538   0.040  -2.480
  996    HB2  CYS 487           HB2      CYS 487  -1.581  -0.503  -2.125
  997    HB3  CYS 487           HB1      CYS 487  -2.781  -0.331  -0.850
  998    HG   CYS 487           HG       CYS 487  -2.416  -2.932  -3.034
  999    H    LEU 488           H        LEU 488  -1.722   1.224  -4.228
 1000    HA   LEU 488           HA       LEU 488  -1.407   3.642  -2.811
 1001    HB2  LEU 488           HB2      LEU 488  -0.722   3.055  -5.689
 1002    HB3  LEU 488           HB1      LEU 488  -0.128   4.401  -4.746
 1003    HG   LEU 488           HG       LEU 488   0.547   1.487  -4.419
 1004   HD11  LEU 488          1HD1      LEU 488   2.237   3.932  -4.944
 1005   HD12  LEU 488          2HD1      LEU 488   1.768   2.722  -6.142
 1006   HD13  LEU 488          3HD1      LEU 488   2.821   2.272  -4.799
 1007   HD21  LEU 488          3HD2      LEU 488   0.197   2.448  -2.200
 1008   HD22  LEU 488          1HD2      LEU 488   1.283   3.781  -2.602
 1009   HD23  LEU 488          2HD2      LEU 488   1.908   2.134  -2.497
 1010    H    VAL 489           H        VAL 489  -3.102   2.950  -5.893
 1011    HA   VAL 489           HA       VAL 489  -3.913   5.606  -6.315
 1012    HB   VAL 489           HB       VAL 489  -5.684   4.679  -7.821
 1013   HG11  VAL 489          1HG1      VAL 489  -4.098   3.830  -9.485
 1014   HG12  VAL 489          2HG1      VAL 489  -2.879   3.653  -8.223
 1015   HG13  VAL 489          3HG1      VAL 489  -3.474   5.255  -8.655
 1016   HG21  VAL 489          3HG2      VAL 489  -6.196   2.596  -6.796
 1017   HG22  VAL 489          1HG2      VAL 489  -4.517   2.068  -6.906
 1018   HG23  VAL 489          2HG2      VAL 489  -5.483   2.250  -8.373
 1019    H    ILE 490           H        ILE 490  -5.573   2.956  -4.599
 1020    HA   ILE 490           HA       ILE 490  -7.922   4.518  -4.207
 1021    HB   ILE 490           HB       ILE 490  -8.589   2.874  -2.494
 1022   HG12  ILE 490          2HG1      ILE 490  -5.901   1.626  -3.090
 1023   HG13  ILE 490          1HG1      ILE 490  -6.447   2.262  -1.540
 1024   HG21  ILE 490          1HG2      ILE 490  -9.143   2.505  -4.811
 1025   HG22  ILE 490          2HG2      ILE 490  -8.778   0.967  -4.029
 1026   HG23  ILE 490          3HG2      ILE 490  -7.586   1.722  -5.088
 1027   HD11  ILE 490          3HD1      ILE 490  -7.482  -0.169  -2.985
 1028   HD12  ILE 490          1HD1      ILE 490  -8.234   0.520  -1.538
 1029   HD13  ILE 490          2HD1      ILE 490  -6.588  -0.114  -1.465
 1030    H    PHE 491           H        PHE 491  -4.926   4.152  -2.392
 1031    HA   PHE 491           HA       PHE 491  -5.726   5.732  -0.173
 1032    HB2  PHE 491           HB2      PHE 491  -3.709   4.401  -0.038
 1033    HB3  PHE 491           HB1      PHE 491  -3.001   5.257  -1.402
 1034    HD1  PHE 491           HD2      PHE 491  -4.062   5.619   2.122
 1035    HD2  PHE 491           HD1      PHE 491  -1.822   7.265  -1.102
 1036    HE1  PHE 491           HE2      PHE 491  -3.025   7.232   3.667
 1037    HE2  PHE 491           HE1      PHE 491  -0.778   8.871   0.437
 1038    HZ   PHE 491           HZ       PHE 491  -1.381   8.859   2.821
 1039    H    ASN 492           H        ASN 492  -4.406   6.468  -3.339
 1040    HA   ASN 492           HA       ASN 492  -4.046   9.262  -2.891
 1041    HB2  ASN 492           HB2      ASN 492  -4.173   7.602  -5.407
 1042    HB3  ASN 492           HB1      ASN 492  -3.885   9.338  -5.420
 1043   HD21  ASN 492          1HD2      ASN 492  -2.322   9.352  -3.004
 1044   HD22  ASN 492          2HD2      ASN 492  -0.793   8.661  -3.410
 1045    H    GLN 493           H        GLN 493  -6.797   7.456  -3.184
 1046    HA   GLN 493           HA       GLN 493  -8.346   9.746  -4.196
 1047    HB2  GLN 493           HB2      GLN 493  -8.967   6.790  -4.260
 1048    HB3  GLN 493           HB1      GLN 493 -10.130   8.039  -4.679
 1049    HG2  GLN 493           HG2      GLN 493  -8.811   8.743  -6.542
 1050    HG3  GLN 493           HG1      GLN 493  -7.481   7.695  -6.060
 1051   HE21  GLN 493          1HE2      GLN 493  -7.613   5.509  -6.426
 1052   HE22  GLN 493          2HE2      GLN 493  -8.787   4.816  -7.492
 1053    H    GLU 494           H        GLU 494  -7.303   8.771  -1.456
 1054    HA   GLU 494           HA       GLU 494  -7.929   8.839   0.717
 1055    HB2  GLU 494           HB2      GLU 494 -10.169  10.462  -0.478
 1056    HB3  GLU 494           HB1      GLU 494 -10.008  10.207   1.252
 1057    HG2  GLU 494           HG2      GLU 494  -9.055  12.304   0.803
 1058    HG3  GLU 494           HG1      GLU 494  -7.707  11.203   1.080
 1059    H    VAL 495           H        VAL 495  -8.821   6.601  -0.950
 1060    HA   VAL 495           HA       VAL 495 -11.395   5.824   0.094
 1061    HB   VAL 495           HB       VAL 495  -9.324   4.280  -1.478
 1062   HG11  VAL 495          1HG1      VAL 495 -12.106   3.461  -0.663
 1063   HG12  VAL 495          2HG1      VAL 495 -10.590   2.730  -0.132
 1064   HG13  VAL 495          3HG1      VAL 495 -11.088   2.600  -1.819
 1065   HG21  VAL 495          3HG2      VAL 495 -11.986   5.433  -2.317
 1066   HG22  VAL 495          1HG2      VAL 495 -10.884   4.509  -3.338
 1067   HG23  VAL 495          2HG2      VAL 495 -10.400   6.090  -2.725
 1068    H    ILE 496           H        ILE 496  -8.034   4.727   0.530
 1069    HA   ILE 496           HA       ILE 496  -8.878   3.449   3.042
 1070    HB   ILE 496           HB       ILE 496  -6.846   2.100   2.934
 1071   HG12  ILE 496          2HG1      ILE 496  -6.361   3.377   0.233
 1072   HG13  ILE 496          1HG1      ILE 496  -5.462   3.766   1.697
 1073   HG21  ILE 496          1HG2      ILE 496  -8.860   1.208   1.924
 1074   HG22  ILE 496          2HG2      ILE 496  -7.446   0.701   0.999
 1075   HG23  ILE 496          3HG2      ILE 496  -8.475   2.001   0.396
 1076   HD11  ILE 496          3HD1      ILE 496  -4.661   1.463   1.813
 1077   HD12  ILE 496          1HD1      ILE 496  -4.224   2.233   0.287
 1078   HD13  ILE 496          2HD1      ILE 496  -5.558   1.081   0.343
 1079    H    SER 497           H        SER 497  -7.134   3.482   4.758
 1080    HA   SER 497           HA       SER 497  -6.062   6.203   4.928
 1081    HB2  SER 497           HB2      SER 497  -7.617   5.448   6.726
 1082    HB3  SER 497           HB1      SER 497  -6.479   4.168   7.139
 1083    HG   SER 497           HG       SER 497  -6.404   6.262   8.365
 1084    H    ARG 498           H        ARG 498  -4.044   6.171   6.505
 1085    HA   ARG 498           HA       ARG 498  -1.886   5.143   5.046
 1086    HB2  ARG 498           HB2      ARG 498  -1.808   7.057   6.633
 1087    HB3  ARG 498           HB1      ARG 498  -1.941   5.928   7.963
 1088    HG2  ARG 498           HG2      ARG 498   0.185   4.961   7.437
 1089    HG3  ARG 498           HG1      ARG 498   0.301   5.920   5.961
 1090    HD2  ARG 498           HD2      ARG 498   1.668   6.852   7.768
 1091    HD3  ARG 498           HD1      ARG 498   0.400   7.960   7.254
 1092    HE   ARG 498           HE       ARG 498  -0.595   6.513   9.423
 1093   HH11  ARG 498          1HH1      ARG 498   1.991   8.784   8.760
 1094   HH12  ARG 498          2HH1      ARG 498   1.952   9.492  10.352
 1095   HH21  ARG 498          1HH2      ARG 498  -0.651   7.452  11.519
 1096   HH22  ARG 498          2HH2      ARG 498   0.451   8.738  11.912
 1097    H    ALA 499           H        ALA 499  -3.013   4.192   8.255
 1098    HA   ALA 499           HA       ALA 499  -1.388   1.949   8.575
 1099    HB1  ALA 499           HB1      ALA 499  -2.623   3.006  10.403
 1100    HB2  ALA 499           HB2      ALA 499  -2.904   1.267  10.339
 1101    HB3  ALA 499           HB3      ALA 499  -4.133   2.380   9.740
 1102    H    GLU 500           H        GLU 500  -4.637   2.190   7.180
 1103    HA   GLU 500           HA       GLU 500  -5.183  -0.503   6.762
 1104    HB2  GLU 500           HB2      GLU 500  -5.871   1.816   4.941
 1105    HB3  GLU 500           HB1      GLU 500  -6.640   0.236   4.917
 1106    HG2  GLU 500           HG2      GLU 500  -6.686   2.106   7.270
 1107    HG3  GLU 500           HG1      GLU 500  -7.950   2.017   6.048
 1108    H    LEU 501           H        LEU 501  -3.337   1.775   4.812
 1109    HA   LEU 501           HA       LEU 501  -2.873   0.086   2.604
 1110    HB2  LEU 501           HB2      LEU 501  -2.690   2.533   2.552
 1111    HB3  LEU 501           HB1      LEU 501  -1.283   2.445   3.591
 1112    HG   LEU 501           HG       LEU 501  -1.219   0.995   0.984
 1113   HD11  LEU 501          1HD1      LEU 501  -0.408   3.010  -0.129
 1114   HD12  LEU 501          2HD1      LEU 501  -0.752   3.954   1.321
 1115   HD13  LEU 501          3HD1      LEU 501  -2.072   3.214   0.416
 1116   HD21  LEU 501          3HD2      LEU 501   0.579   0.721   2.570
 1117   HD22  LEU 501          1HD2      LEU 501   0.827   2.466   2.619
 1118   HD23  LEU 501          2HD2      LEU 501   1.135   1.574   1.127
 1119    H    VAL 502           H        VAL 502  -0.889   0.764   5.501
 1120    HA   VAL 502           HA       VAL 502   1.290  -0.838   4.656
 1121    HB   VAL 502           HB       VAL 502   0.970  -0.873   7.551
 1122   HG11  VAL 502          1HG1      VAL 502   3.192   0.112   7.479
 1123   HG12  VAL 502          2HG1      VAL 502   3.021   0.405   5.749
 1124   HG13  VAL 502          3HG1      VAL 502   3.076  -1.249   6.362
 1125   HG21  VAL 502          3HG2      VAL 502   0.985   1.818   6.205
 1126   HG22  VAL 502          1HG2      VAL 502   1.223   1.516   7.926
 1127   HG23  VAL 502          2HG2      VAL 502  -0.329   1.147   7.172
 1128    H    GLN 503           H        GLN 503  -1.698  -1.588   6.317
 1129    HA   GLN 503           HA       GLN 503  -1.043  -4.232   7.110
 1130    HB2  GLN 503           HB2      GLN 503  -3.707  -2.920   6.562
 1131    HB3  GLN 503           HB1      GLN 503  -3.527  -4.528   7.247
 1132    HG2  GLN 503           HG2      GLN 503  -2.572  -3.693   9.223
 1133    HG3  GLN 503           HG1      GLN 503  -2.326  -2.092   8.522
 1134   HE21  GLN 503          1HE2      GLN 503  -4.980  -2.195   7.236
 1135   HE22  GLN 503          2HE2      GLN 503  -6.117  -1.846   8.493
 1136    H    LEU 504           H        LEU 504  -2.599  -2.896   4.222
 1137    HA   LEU 504           HA       LEU 504  -3.430  -5.265   3.046
 1138    HB2  LEU 504           HB2      LEU 504  -2.634  -2.596   1.930
 1139    HB3  LEU 504           HB1      LEU 504  -3.207  -3.891   0.911
 1140    HG   LEU 504           HG       LEU 504  -4.759  -2.610   3.152
 1141   HD11  LEU 504          1HD1      LEU 504  -6.171  -1.733   1.368
 1142   HD12  LEU 504          2HD1      LEU 504  -5.108  -2.458   0.161
 1143   HD13  LEU 504          3HD1      LEU 504  -4.510  -1.161   1.200
 1144   HD21  LEU 504          3HD2      LEU 504  -5.304  -4.973   2.900
 1145   HD22  LEU 504          1HD2      LEU 504  -5.557  -4.735   1.167
 1146   HD23  LEU 504          2HD2      LEU 504  -6.628  -3.954   2.333
 1147    H    VAL 505           H        VAL 505  -0.345  -3.565   2.779
 1148    HA   VAL 505           HA       VAL 505   0.614  -5.545   0.868
 1149    HB   VAL 505           HB       VAL 505   1.004  -3.058   0.609
 1150   HG11  VAL 505          1HG1      VAL 505   2.890  -2.067   1.817
 1151   HG12  VAL 505          2HG1      VAL 505   3.008  -3.522   2.808
 1152   HG13  VAL 505          3HG1      VAL 505   1.568  -2.508   2.898
 1153   HG21  VAL 505          3HG2      VAL 505   3.443  -4.825   0.610
 1154   HG22  VAL 505          1HG2      VAL 505   3.263  -3.312  -0.280
 1155   HG23  VAL 505          2HG2      VAL 505   2.251  -4.700  -0.682
 1156    H    SER 506           H        SER 506   0.260  -5.682   4.030
 1157    HA   SER 506           HA       SER 506   2.784  -6.154   5.137
 1158    HB2  SER 506           HB2      SER 506   0.690  -5.825   6.446
 1159    HB3  SER 506           HB1      SER 506   0.185  -7.449   5.984
 1160    HG   SER 506           HG       SER 506   2.253  -6.641   7.701
 1161    HA   PRO 507           HA       PRO 507   2.109 -10.927   4.072
 1162    HB2  PRO 507           HB2      PRO 507   0.471 -10.581   1.619
 1163    HB3  PRO 507           HB1      PRO 507   0.396 -11.841   2.855
 1164    HG2  PRO 507           HG2      PRO 507  -1.468  -9.950   2.759
 1165    HG3  PRO 507           HG1      PRO 507  -0.836 -10.513   4.318
 1166    HD2  PRO 507           HD2      PRO 507  -0.192  -8.010   2.805
 1167    HD3  PRO 507           HD1      PRO 507  -0.446  -8.240   4.548
 1168    H    PHE 508           H        PHE 508   2.572  -8.224   2.004
 1169    HA   PHE 508           HA       PHE 508   4.120  -9.763   0.068
 1170    HB2  PHE 508           HB2      PHE 508   3.300  -6.852   0.051
 1171    HB3  PHE 508           HB1      PHE 508   4.136  -7.682  -1.257
 1172    HD1  PHE 508           HD1      PHE 508   0.966  -7.439   0.603
 1173    HD2  PHE 508           HD2      PHE 508   2.959  -9.065  -2.787
 1174    HE1  PHE 508           HE1      PHE 508  -1.201  -8.103  -0.348
 1175    HE2  PHE 508           HE2      PHE 508   0.793  -9.733  -3.742
 1176    HZ   PHE 508           HZ       PHE 508  -1.289  -9.253  -2.524
 1177    H    LEU 509           H        LEU 509   4.528  -6.791   2.016
 1178    HA   LEU 509           HA       LEU 509   7.417  -6.992   1.553
 1179    HB2  LEU 509           HB2      LEU 509   5.821  -4.704   2.703
 1180    HB3  LEU 509           HB1      LEU 509   7.527  -4.673   2.297
 1181    HG   LEU 509           HG       LEU 509   5.210  -4.884   0.377
 1182   HD11  LEU 509          1HD1      LEU 509   6.062  -2.759  -0.464
 1183   HD12  LEU 509          2HD1      LEU 509   7.328  -2.773   0.763
 1184   HD13  LEU 509          3HD1      LEU 509   5.636  -2.643   1.243
 1185   HD21  LEU 509          3HD2      LEU 509   7.057  -6.325  -0.344
 1186   HD22  LEU 509          1HD2      LEU 509   8.165  -4.958  -0.218
 1187   HD23  LEU 509          2HD2      LEU 509   6.859  -4.930  -1.404
 1188    H    GLY 510           H        GLY 510   5.182  -7.789   3.913
 1189    HA2  GLY 510           HA2      GLY 510   6.527  -6.985   6.272
 1190    HA3  GLY 510           HA1      GLY 510   5.322  -8.259   6.159
 1191    H    LYS 511           H        LYS 511   7.046  -9.603   4.085
 1192    HA   LYS 511           HA       LYS 511   8.592 -11.193   5.906
 1193    HB2  LYS 511           HB2      LYS 511   9.178 -12.506   3.879
 1194    HB3  LYS 511           HB1      LYS 511   7.445 -12.314   4.105
 1195    HG2  LYS 511           HG2      LYS 511   7.469 -10.489   2.466
 1196    HG3  LYS 511           HG1      LYS 511   9.187 -10.769   2.206
 1197    HD2  LYS 511           HD2      LYS 511   8.188 -11.928   0.452
 1198    HD3  LYS 511           HD1      LYS 511   8.490 -13.188   1.647
 1199    HE2  LYS 511           HE2      LYS 511   5.860 -11.754   1.527
 1200    HE3  LYS 511           HE1      LYS 511   6.199 -13.116   0.466
 1201    HZ1  LYS 511           HZ1      LYS 511   5.041 -13.836   2.431
 1202    HZ2  LYS 511           HZ2      LYS 511   6.225 -13.175   3.447
 1203    HZ3  LYS 511           HZ3      LYS 511   6.602 -14.482   2.433
 1204    H    PHE 512           H        PHE 512   9.163  -8.318   4.365
 1205    HA   PHE 512           HA       PHE 512  12.077  -8.737   4.498
 1206    HB2  PHE 512           HB2      PHE 512  10.609  -6.808   2.682
 1207    HB3  PHE 512           HB1      PHE 512  12.352  -7.027   2.769
 1208    HD1  PHE 512           HD1      PHE 512  13.192  -9.465   2.292
 1209    HD2  PHE 512           HD2      PHE 512   9.418  -7.929   1.064
 1210    HE1  PHE 512           HE1      PHE 512  13.064 -11.186   0.537
 1211    HE2  PHE 512           HE2      PHE 512   9.283  -9.648  -0.692
 1212    HZ   PHE 512           HZ       PHE 512  11.108 -11.279  -0.955
 1213    HA   PRO 513           HA       PRO 513  10.996  -6.052   8.039
 1214    HB2  PRO 513           HB2      PRO 513  13.692  -6.046   8.839
 1215    HB3  PRO 513           HB1      PRO 513  12.416  -7.097   9.452
 1216    HG2  PRO 513           HG2      PRO 513  14.476  -7.632   7.370
 1217    HG3  PRO 513           HG1      PRO 513  13.774  -8.732   8.571
 1218    HD2  PRO 513           HD2      PRO 513  13.051  -8.852   6.006
 1219    HD3  PRO 513           HD1      PRO 513  11.856  -9.086   7.303
 1220    H    GLU 514           H        GLU 514  13.967  -5.597   6.097
 1221    HA   GLU 514           HA       GLU 514  14.331  -2.892   6.807
 1222    HB2  GLU 514           HB2      GLU 514  15.914  -2.801   4.938
 1223    HB3  GLU 514           HB1      GLU 514  16.140  -4.263   5.888
 1224    HG2  GLU 514           HG2      GLU 514  15.055  -5.594   4.225
 1225    HG3  GLU 514           HG1      GLU 514  14.570  -4.158   3.323
 1226    H    LEU 515           H        LEU 515  12.458  -4.441   4.317
 1227    HA   LEU 515           HA       LEU 515  12.115  -2.072   2.734
 1228    HB2  LEU 515           HB2      LEU 515  12.124  -4.585   2.043
 1229    HB3  LEU 515           HB1      LEU 515  10.443  -4.552   2.535
 1230    HG   LEU 515           HG       LEU 515   9.967  -2.834   0.873
 1231   HD11  LEU 515          1HD1      LEU 515  12.134  -1.713   0.876
 1232   HD12  LEU 515          2HD1      LEU 515  11.662  -2.182  -0.757
 1233   HD13  LEU 515          3HD1      LEU 515  12.871  -3.124   0.116
 1234   HD21  LEU 515          3HD2      LEU 515   9.756  -5.175   0.240
 1235   HD22  LEU 515          1HD2      LEU 515  11.454  -5.210  -0.239
 1236   HD23  LEU 515          2HD2      LEU 515  10.308  -4.208  -1.129
 1237    H    PHE 516           H        PHE 516  10.149  -4.015   4.939
 1238    HA   PHE 516           HA       PHE 516   7.843  -2.367   4.742
 1239    HB2  PHE 516           HB2      PHE 516   8.047  -4.806   5.594
 1240    HB3  PHE 516           HB1      PHE 516   8.493  -4.076   7.133
 1241    HD1  PHE 516           HD2      PHE 516   5.875  -3.634   4.511
 1242    HD2  PHE 516           HD1      PHE 516   6.793  -3.835   8.661
 1243    HE1  PHE 516           HE2      PHE 516   3.494  -3.333   5.046
 1244    HE2  PHE 516           HE1      PHE 516   4.412  -3.537   9.204
 1245    HZ   PHE 516           HZ       PHE 516   2.759  -3.275   7.397
 1246    H    ASN 517           H        ASN 517  10.701  -2.381   6.778
 1247    HA   ASN 517           HA       ASN 517   9.877  -0.407   8.635
 1248    HB2  ASN 517           HB2      ASN 517  11.824  -1.805   9.074
 1249    HB3  ASN 517           HB1      ASN 517  12.644  -1.171   7.653
 1250   HD21  ASN 517          1HD2      ASN 517  11.678  -0.562  10.921
 1251   HD22  ASN 517          2HD2      ASN 517  12.661   0.848  11.161
 1252    H    TRP 518           H        TRP 518  11.451  -0.254   5.476
 1253    HA   TRP 518           HA       TRP 518  11.949   2.496   5.332
 1254    HB2  TRP 518           HB2      TRP 518  12.630   0.685   3.665
 1255    HB3  TRP 518           HB1      TRP 518  10.996   0.776   3.029
 1256    HD1  TRP 518           HD1      TRP 518  14.353   2.394   2.802
 1257    HE1  TRP 518           HE1      TRP 518  14.280   4.347   1.128
 1258    HE3  TRP 518           HE3      TRP 518   9.284   2.754   2.187
 1259    HZ2  TRP 518           HZ2      TRP 518  12.337   5.848  -0.251
 1260    HZ3  TRP 518           HZ3      TRP 518   8.403   4.478   0.667
 1261    HH2  TRP 518           HH2      TRP 518   9.901   5.991  -0.524
 1262    H    PHE 519           H        PHE 519   9.084   0.600   4.450
 1263    HA   PHE 519           HA       PHE 519   7.466   2.740   3.633
 1264    HB2  PHE 519           HB2      PHE 519   7.205  -0.025   3.847
 1265    HB3  PHE 519           HB1      PHE 519   5.965   0.605   4.925
 1266    HD1  PHE 519           HD1      PHE 519   7.059   2.404   1.908
 1267    HD2  PHE 519           HD2      PHE 519   4.122  -0.182   3.592
 1268    HE1  PHE 519           HE1      PHE 519   5.607   2.787  -0.033
 1269    HE2  PHE 519           HE2      PHE 519   2.682   0.193   1.651
 1270    HZ   PHE 519           HZ       PHE 519   3.415   1.681  -0.165
 1271    H    LYS 520           H        LYS 520   7.957   1.301   6.829
 1272    HA   LYS 520           HA       LYS 520   6.094   2.703   8.333
 1273    HB2  LYS 520           HB2      LYS 520   8.948   2.016   9.084
 1274    HB3  LYS 520           HB1      LYS 520   7.706   2.511  10.221
 1275    HG2  LYS 520           HG2      LYS 520   7.484   0.063   8.492
 1276    HG3  LYS 520           HG1      LYS 520   8.175   0.054  10.116
 1277    HD2  LYS 520           HD2      LYS 520   6.055   0.933  11.000
 1278    HD3  LYS 520           HD1      LYS 520   5.375   0.890   9.372
 1279    HE2  LYS 520           HE2      LYS 520   4.690  -1.057  10.665
 1280    HE3  LYS 520           HE1      LYS 520   5.684  -1.522   9.292
 1281    HZ1  LYS 520           HZ1      LYS 520   7.549  -1.835  10.737
 1282    HZ2  LYS 520           HZ2      LYS 520   6.241  -2.710  11.364
 1283    HZ3  LYS 520           HZ3      LYS 520   6.694  -1.235  12.077
 1284    H    ASN 521           H        ASN 521   9.375   3.651   7.429
 1285    HA   ASN 521           HA       ASN 521   9.333   6.135   8.795
 1286    HB2  ASN 521           HB2      ASN 521  11.424   4.980   8.275
 1287    HB3  ASN 521           HB1      ASN 521  11.122   5.175   6.551
 1288   HD21  ASN 521          1HD2      ASN 521  11.532   7.140   5.583
 1289   HD22  ASN 521          2HD2      ASN 521  12.316   8.451   6.396
 1290    H    PHE 522           H        PHE 522   8.492   5.190   5.505
 1291    HA   PHE 522           HA       PHE 522   8.609   7.857   4.463
 1292    HB2  PHE 522           HB2      PHE 522   8.908   5.830   3.050
 1293    HB3  PHE 522           HB1      PHE 522   7.211   5.436   3.305
 1294    HD1  PHE 522           HD1      PHE 522   9.359   8.231   2.089
 1295    HD2  PHE 522           HD2      PHE 522   5.668   6.142   1.738
 1296    HE1  PHE 522           HE1      PHE 522   8.764   9.617   0.148
 1297    HE2  PHE 522           HE2      PHE 522   5.067   7.527  -0.202
 1298    HZ   PHE 522           HZ       PHE 522   6.615   9.267  -1.001
 1299    H    LEU 523           H        LEU 523   6.076   5.742   5.668
 1300    HA   LEU 523           HA       LEU 523   3.984   7.635   5.071
 1301    HB2  LEU 523           HB2      LEU 523   4.116   4.964   6.406
 1302    HB3  LEU 523           HB1      LEU 523   2.695   5.961   6.630
 1303    HG   LEU 523           HG       LEU 523   2.274   5.946   4.225
 1304   HD11  LEU 523          1HD1      LEU 523   4.611   5.795   3.476
 1305   HD12  LEU 523          2HD1      LEU 523   3.569   4.596   2.710
 1306   HD13  LEU 523          3HD1      LEU 523   4.652   4.115   4.018
 1307   HD21  LEU 523          3HD2      LEU 523   2.766   3.200   5.348
 1308   HD22  LEU 523          1HD2      LEU 523   1.718   3.586   3.984
 1309   HD23  LEU 523          2HD2      LEU 523   1.319   4.181   5.595
 1310    H    GLY 524           H        GLY 524   6.204   7.140   7.607
 1311    HA2  GLY 524           HA2      GLY 524   6.477   8.239   9.620
 1312    HA3  GLY 524           HA1      GLY 524   5.087   9.239   9.209
 1313    H    TYR 525           H        TYR 525   4.994   5.769   9.199
 1314    HA   TYR 525           HA       TYR 525   2.728   5.836  10.989
 1315    HB2  TYR 525           HB2      TYR 525   2.668   4.445   8.964
 1316    HB3  TYR 525           HB1      TYR 525   4.055   3.531   9.542
 1317    HD1  TYR 525           HD2      TYR 525   0.784   4.580  11.049
 1318    HD2  TYR 525           HD1      TYR 525   3.488   1.411  10.186
 1319    HE1  TYR 525           HE2      TYR 525  -0.724   2.994  12.168
 1320    HE2  TYR 525           HE1      TYR 525   1.987  -0.183  11.304
 1321    HH   TYR 525           HH       TYR 525   0.234  -0.247  12.907
 1322    H    LYS 526           H        LYS 526   3.616   6.383  12.959
 1323    HA   LYS 526           HA       LYS 526   5.748   4.848  14.121
 1324    HB2  LYS 526           HB2      LYS 526   3.898   6.909  15.338
 1325    HB3  LYS 526           HB1      LYS 526   5.283   6.197  16.153
 1326    HG2  LYS 526           HG2      LYS 526   6.771   7.163  14.466
 1327    HG3  LYS 526           HG1      LYS 526   5.377   7.888  13.660
 1328    HD2  LYS 526           HD2      LYS 526   6.228   8.449  16.503
 1329    HD3  LYS 526           HD1      LYS 526   6.579   9.483  15.118
 1330    HE2  LYS 526           HE2      LYS 526   4.213   9.844  14.750
 1331    HE3  LYS 526           HE1      LYS 526   3.814   8.733  16.061
 1332    HZ1  LYS 526           HZ1      LYS 526   3.657  11.030  16.773
 1333    HZ2  LYS 526           HZ2      LYS 526   5.275  11.308  16.353
 1334    HZ3  LYS 526           HZ3      LYS 526   4.896  10.238  17.614
 1335    H    GLU 527           H        GLU 527   5.140   2.749  14.324
 1336    HA   GLU 527           HA       GLU 527   2.758   2.180  15.943
 1337    HB2  GLU 527           HB2      GLU 527   3.094   1.034  13.697
 1338    HB3  GLU 527           HB1      GLU 527   4.455   0.189  14.420
 1339    HG2  GLU 527           HG2      GLU 527   2.989  -0.856  16.036
 1340    HG3  GLU 527           HG1      GLU 527   1.616   0.053  15.416
 1341    H    SER 528           H        SER 528   5.662   3.066  16.566
 1342    HA   SER 528           HA       SER 528   7.170   2.843  18.226
 1343    HB2  SER 528           HB2      SER 528   4.997   1.190  19.544
 1344    HB3  SER 528           HB1      SER 528   6.410   1.865  20.355
 1345    HG   SER 528           HG       SER 528   4.070   3.031  19.918
  Start of MODEL   12
    1    H1   SER 127           HT1      SER 127  10.266  -9.597 -21.216
    2    H2   SER 127           HT2      SER 127   9.277  -9.756 -19.851
    3    H3   SER 127           HT3      SER 127  10.722  -8.876 -19.753
    4    HA   SER 127           HA       SER 127   8.353  -8.161 -21.376
    5    HB2  SER 127           HB2      SER 127   9.501  -6.877 -18.884
    6    HB3  SER 127           HB1      SER 127   8.119  -6.282 -19.803
    7    HG   SER 127           HG       SER 127   6.947  -7.560 -18.646
    8    H    ASN 128           H        ASN 128  11.521  -7.084 -20.135
    9    HA   ASN 128           HA       ASN 128  11.756  -5.353 -22.515
   10    HB2  ASN 128           HB2      ASN 128  13.000  -5.058 -19.770
   11    HB3  ASN 128           HB1      ASN 128  13.416  -4.054 -21.152
   12   HD21  ASN 128          1HD2      ASN 128  12.754  -2.182 -20.151
   13   HD22  ASN 128          2HD2      ASN 128  11.089  -1.803 -19.877
   14    H    ALA 129           H        ALA 129  13.730  -5.319 -23.628
   15    HA   ALA 129           HA       ALA 129  15.845  -7.132 -22.775
   16    HB1  ALA 129           HB1      ALA 129  15.926  -8.292 -24.927
   17    HB2  ALA 129           HB2      ALA 129  14.486  -7.420 -25.454
   18    HB3  ALA 129           HB3      ALA 129  14.383  -8.562 -24.114
   19    H    GLY 130           H        GLY 130  17.838  -6.821 -24.045
   20    HA2  GLY 130           HA2      GLY 130  19.063  -5.583 -25.700
   21    HA3  GLY 130           HA1      GLY 130  17.858  -4.311 -25.584
   22    H    SER 131           H        SER 131  18.095  -4.850 -22.529
   23    HA   SER 131           HA       SER 131  19.753  -2.656 -21.952
   24    HB2  SER 131           HB2      SER 131  18.847  -4.839 -20.064
   25    HB3  SER 131           HB1      SER 131  19.344  -3.202 -19.628
   26    HG   SER 131           HG       SER 131  17.368  -2.603 -19.976
   27    H    ASP 132           H        ASP 132  21.875  -2.592 -22.140
   28    HA   ASP 132           HA       ASP 132  23.417  -5.074 -21.916
   29    HB2  ASP 132           HB2      ASP 132  23.619  -3.628 -23.958
   30    HB3  ASP 132           HB1      ASP 132  24.308  -2.369 -22.940
   31    H    ASP 133           H        ASP 133  22.862  -2.043 -20.360
   32    HA   ASP 133           HA       ASP 133  25.210  -2.338 -18.649
   33    HB2  ASP 133           HB2      ASP 133  24.725  -0.123 -17.815
   34    HB3  ASP 133           HB1      ASP 133  24.662  -0.087 -19.572
   35    H    ASP 134           H        ASP 134  25.122  -2.678 -16.493
   36    HA   ASP 134           HA       ASP 134  24.412  -3.640 -14.570
   37    HB2  ASP 134           HB2      ASP 134  23.207  -1.420 -14.479
   38    HB3  ASP 134           HB1      ASP 134  21.775  -2.251 -15.078
   39    H    GLY 135           H        GLY 135  24.481  -5.561 -16.141
   40    HA2  GLY 135           HA2      GLY 135  21.867  -6.788 -16.572
   41    HA3  GLY 135           HA1      GLY 135  23.413  -7.389 -17.157
   42    H    GLY 136           H        GLY 136  22.429  -6.471 -13.890
   43    HA2  GLY 136           HA2      GLY 136  23.169  -9.187 -13.027
   44    HA3  GLY 136           HA1      GLY 136  23.252  -7.753 -12.012
   45    H    ASP 137           H        ASP 137  20.552  -8.188 -14.098
   46    HA   ASP 137           HA       ASP 137  18.639  -7.981 -12.074
   47    HB2  ASP 137           HB2      ASP 137  18.092  -7.430 -14.373
   48    HB3  ASP 137           HB1      ASP 137  18.374  -9.093 -14.874
   49    H    SER 138           H        SER 138  18.531  -9.371 -10.467
   50    HA   SER 138           HA       SER 138  18.244 -12.220 -11.103
   51    HB2  SER 138           HB2      SER 138  19.778 -11.213  -8.701
   52    HB3  SER 138           HB1      SER 138  19.699 -12.862  -9.323
   53    HG   SER 138           HG       SER 138  20.983 -10.609 -10.484
   54    HA   PRO 139           HA       PRO 139  14.517 -11.123  -8.706
   55    HB2  PRO 139           HB2      PRO 139  13.916 -13.913  -9.496
   56    HB3  PRO 139           HB1      PRO 139  12.918 -12.460  -9.663
   57    HG2  PRO 139           HG2      PRO 139  14.082 -13.550 -11.792
   58    HG3  PRO 139           HG1      PRO 139  14.004 -11.786 -11.608
   59    HD2  PRO 139           HD2      PRO 139  16.304 -13.643 -11.130
   60    HD3  PRO 139           HD1      PRO 139  16.293 -12.036 -11.887
   61    H    VAL 140           H        VAL 140  15.391 -14.564  -8.677
   62    HA   VAL 140           HA       VAL 140  15.921 -16.033  -7.044
   63    HB   VAL 140           HB       VAL 140  16.716 -13.661  -5.358
   64   HG11  VAL 140          1HG1      VAL 140  18.352 -15.208  -4.404
   65   HG12  VAL 140          2HG1      VAL 140  17.757 -16.491  -5.457
   66   HG13  VAL 140          3HG1      VAL 140  16.710 -15.823  -4.206
   67   HG21  VAL 140          3HG2      VAL 140  18.902 -13.754  -6.386
   68   HG22  VAL 140          1HG2      VAL 140  17.670 -13.485  -7.623
   69   HG23  VAL 140          2HG2      VAL 140  18.387 -15.085  -7.422
   70    H    GLN 141           H        GLN 141  13.310 -14.587  -7.198
   71    HA   GLN 141           HA       GLN 141  12.335 -15.085  -4.466
   72    HB2  GLN 141           HB2      GLN 141  11.071 -13.443  -6.669
   73    HB3  GLN 141           HB1      GLN 141  10.407 -13.681  -5.058
   74    HG2  GLN 141           HG2      GLN 141  12.964 -12.253  -5.755
   75    HG3  GLN 141           HG1      GLN 141  11.454 -11.517  -5.217
   76   HE21  GLN 141          1HE2      GLN 141  14.128 -11.397  -4.061
   77   HE22  GLN 141          2HE2      GLN 141  13.972 -11.972  -2.440
   78    H    ASP 142           H        ASP 142  11.446 -17.015  -4.268
   79    HA   ASP 142           HA       ASP 142  10.543 -18.489  -6.570
   80    HB2  ASP 142           HB2      ASP 142  11.723 -19.628  -4.750
   81    HB3  ASP 142           HB1      ASP 142  10.445 -19.182  -3.626
   82    H    ILE 143           H        ILE 143   9.152 -16.208  -4.576
   83    HA   ILE 143           HA       ILE 143   6.535 -17.118  -4.200
   84    HB   ILE 143           HB       ILE 143   7.180 -14.260  -4.874
   85   HG12  ILE 143          2HG1      ILE 143   7.454 -15.561  -2.162
   86   HG13  ILE 143          1HG1      ILE 143   8.816 -15.118  -3.188
   87   HG21  ILE 143          1HG2      ILE 143   4.826 -14.831  -4.632
   88   HG22  ILE 143          2HG2      ILE 143   5.357 -13.792  -3.310
   89   HG23  ILE 143          3HG2      ILE 143   5.145 -15.521  -3.042
   90   HD11  ILE 143          3HD1      ILE 143   6.781 -13.217  -2.042
   91   HD12  ILE 143          1HD1      ILE 143   8.152 -12.776  -3.059
   92   HD13  ILE 143          2HD1      ILE 143   8.428 -13.455  -1.454
   93    H    ASP 144           H        ASP 144   4.824 -17.289  -5.497
   94    HA   ASP 144           HA       ASP 144   5.219 -16.825  -8.344
   95    HB2  ASP 144           HB2      ASP 144   4.263 -18.983  -7.514
   96    HB3  ASP 144           HB1      ASP 144   2.856 -18.091  -6.940
   97    H    THR 145           H        THR 145   2.731 -16.144  -5.905
   98    HA   THR 145           HA       THR 145   2.386 -13.437  -6.737
   99    HB   THR 145           HB       THR 145   0.173 -15.385  -7.462
  100    HG1  THR 145           HG1      THR 145   2.147 -14.724  -8.906
  101   HG21  THR 145          3HG2      THR 145  -0.755 -13.356  -6.452
  102   HG22  THR 145          1HG2      THR 145  -1.095 -13.408  -8.182
  103   HG23  THR 145          2HG2      THR 145   0.184 -12.363  -7.566
  104    HA   PRO 146           HA       PRO 146   1.160 -14.036  -2.404
  105    HB2  PRO 146           HB2      PRO 146   1.576 -11.151  -2.226
  106    HB3  PRO 146           HB1      PRO 146   2.404 -12.451  -1.367
  107    HG2  PRO 146           HG2      PRO 146   3.607 -10.954  -3.279
  108    HG3  PRO 146           HG1      PRO 146   4.036 -12.644  -2.964
  109    HD2  PRO 146           HD2      PRO 146   2.345 -11.491  -5.143
  110    HD3  PRO 146           HD1      PRO 146   3.522 -12.819  -5.212
  111    H    GLU 147           H        GLU 147  -0.631 -13.302  -1.184
  112    HA   GLU 147           HA       GLU 147  -2.707 -12.041  -2.836
  113    HB2  GLU 147           HB2      GLU 147  -4.303 -13.171  -1.269
  114    HB3  GLU 147           HB1      GLU 147  -3.326 -14.272  -2.230
  115    HG2  GLU 147           HG2      GLU 147  -1.864 -14.675  -0.348
  116    HG3  GLU 147           HG1      GLU 147  -2.761 -13.504   0.621
  117    H    VAL 148           H        VAL 148  -4.340 -10.768  -1.611
  118    HA   VAL 148           HA       VAL 148  -3.087  -9.314   0.609
  119    HB   VAL 148           HB       VAL 148  -3.097  -7.873  -1.301
  120   HG11  VAL 148          1HG1      VAL 148  -6.039  -8.461  -1.565
  121   HG12  VAL 148          2HG1      VAL 148  -4.760  -9.003  -2.654
  122   HG13  VAL 148          3HG1      VAL 148  -5.135  -7.285  -2.519
  123   HG21  VAL 148          3HG2      VAL 148  -3.681  -6.827   0.829
  124   HG22  VAL 148          1HG2      VAL 148  -5.391  -7.121   0.505
  125   HG23  VAL 148          2HG2      VAL 148  -4.477  -6.015  -0.519
  126    H    ASP 149           H        ASP 149  -4.122  -9.534   2.447
  127    HA   ASP 149           HA       ASP 149  -6.776 -10.571   2.633
  128    HB2  ASP 149           HB2      ASP 149  -4.944  -9.362   4.716
  129    HB3  ASP 149           HB1      ASP 149  -6.521 -10.051   5.081
  130    H    LEU 150           H        LEU 150  -8.569  -9.423   2.320
  131    HA   LEU 150           HA       LEU 150  -8.439  -6.525   2.803
  132    HB2  LEU 150           HB2      LEU 150 -10.202  -8.171   1.013
  133    HB3  LEU 150           HB1      LEU 150 -10.582  -6.508   1.421
  134    HG   LEU 150           HG       LEU 150  -8.054  -7.416   0.039
  135   HD11  LEU 150          1HD1      LEU 150  -8.983  -6.337  -1.926
  136   HD12  LEU 150          2HD1      LEU 150 -10.466  -5.982  -1.040
  137   HD13  LEU 150          3HD1      LEU 150 -10.021  -7.655  -1.381
  138   HD21  LEU 150          3HD2      LEU 150  -7.726  -5.413   1.387
  139   HD22  LEU 150          1HD2      LEU 150  -9.122  -4.657   0.616
  140   HD23  LEU 150          2HD2      LEU 150  -7.684  -5.033  -0.336
  141    H    TYR 151           H        TYR 151  -9.540  -9.350   4.156
  142    HA   TYR 151           HA       TYR 151 -11.937  -8.355   5.371
  143    HB2  TYR 151           HB2      TYR 151 -10.974 -10.845   5.031
  144    HB3  TYR 151           HB1      TYR 151 -10.401 -10.552   6.670
  145    HD1  TYR 151           HD1      TYR 151 -12.101  -9.968   8.456
  146    HD2  TYR 151           HD2      TYR 151 -13.229 -11.384   4.609
  147    HE1  TYR 151           HE1      TYR 151 -14.320 -10.560   9.328
  148    HE2  TYR 151           HE2      TYR 151 -15.455 -11.972   5.470
  149    HH   TYR 151           HH       TYR 151 -16.488 -12.534   7.683
  150    H    GLN 152           H        GLN 152  -8.653  -7.857   5.816
  151    HA   GLN 152           HA       GLN 152  -8.563  -7.420   8.638
  152    HB2  GLN 152           HB2      GLN 152  -6.339  -6.576   8.227
  153    HB3  GLN 152           HB1      GLN 152  -6.588  -7.977   7.190
  154    HG2  GLN 152           HG2      GLN 152  -7.093  -6.505   5.314
  155    HG3  GLN 152           HG1      GLN 152  -6.836  -5.104   6.351
  156   HE21  GLN 152          1HE2      GLN 152  -4.866  -7.962   6.554
  157   HE22  GLN 152          2HE2      GLN 152  -3.436  -7.256   5.897
  158    H    LEU 153           H        LEU 153  -9.559  -5.552   5.911
  159    HA   LEU 153           HA       LEU 153  -8.870  -2.987   6.899
  160    HB2  LEU 153           HB2      LEU 153 -10.934  -3.747   4.839
  161    HB3  LEU 153           HB1      LEU 153 -10.351  -2.122   5.137
  162    HG   LEU 153           HG       LEU 153  -8.847  -4.437   3.937
  163   HD11  LEU 153          1HD1      LEU 153  -9.416  -1.647   2.945
  164   HD12  LEU 153          2HD1      LEU 153 -10.259  -3.112   2.439
  165   HD13  LEU 153          3HD1      LEU 153  -8.545  -2.911   2.075
  166   HD21  LEU 153          3HD2      LEU 153  -6.910  -2.859   3.850
  167   HD22  LEU 153          1HD2      LEU 153  -7.303  -3.461   5.460
  168   HD23  LEU 153          2HD2      LEU 153  -7.777  -1.829   4.988
  169    H    GLN 154           H        GLN 154 -10.359  -1.297   7.439
  170    HA   GLN 154           HA       GLN 154 -12.275  -2.149   9.412
  171    HB2  GLN 154           HB2      GLN 154 -11.494   0.586   8.396
  172    HB3  GLN 154           HB1      GLN 154 -12.676   0.321   9.667
  173    HG2  GLN 154           HG2      GLN 154 -10.934  -0.802  11.004
  174    HG3  GLN 154           HG1      GLN 154  -9.761  -0.413   9.746
  175   HE21  GLN 154          1HE2      GLN 154 -12.364   1.736  10.626
  176   HE22  GLN 154          2HE2      GLN 154 -11.368   2.945  11.365
  177    H    VAL 155           H        VAL 155 -14.525  -1.532   9.412
  178    HA   VAL 155           HA       VAL 155 -15.884  -2.082   7.022
  179    HB   VAL 155           HB       VAL 155 -16.980  -0.542   9.385
  180   HG11  VAL 155          1HG1      VAL 155 -18.406  -2.155   7.270
  181   HG12  VAL 155          2HG1      VAL 155 -18.347  -0.393   7.337
  182   HG13  VAL 155          3HG1      VAL 155 -19.156  -1.299   8.618
  183   HG21  VAL 155          3HG2      VAL 155 -16.058  -2.664  10.099
  184   HG22  VAL 155          1HG2      VAL 155 -16.953  -3.499   8.829
  185   HG23  VAL 155          2HG2      VAL 155 -17.821  -2.713  10.146
  186    H    ASN 156           H        ASN 156 -15.133   1.002   8.604
  187    HA   ASN 156           HA       ASN 156 -16.479   2.685   6.846
  188    HB2  ASN 156           HB2      ASN 156 -15.575   3.583   8.890
  189    HB3  ASN 156           HB1      ASN 156 -13.936   3.142   8.424
  190   HD21  ASN 156          1HD2      ASN 156 -12.809   4.436   6.997
  191   HD22  ASN 156          2HD2      ASN 156 -13.363   6.001   6.516
  192    H    THR 157           H        THR 157 -13.185   1.399   6.672
  193    HA   THR 157           HA       THR 157 -12.366   2.747   4.350
  194    HB   THR 157           HB       THR 157 -11.461   0.033   5.328
  195    HG1  THR 157           HG1      THR 157  -9.844   2.161   5.919
  196   HG21  THR 157          3HG2      THR 157 -10.708   0.531   3.065
  197   HG22  THR 157          1HG2      THR 157  -9.356   0.599   4.196
  198   HG23  THR 157          2HG2      THR 157 -10.085   2.091   3.603
  199    H    LEU 158           H        LEU 158 -13.759  -0.500   4.787
  200    HA   LEU 158           HA       LEU 158 -13.750  -1.227   2.069
  201    HB2  LEU 158           HB2      LEU 158 -15.522  -2.139   4.334
  202    HB3  LEU 158           HB1      LEU 158 -15.455  -2.910   2.760
  203    HG   LEU 158           HG       LEU 158 -13.099  -2.678   4.636
  204   HD11  LEU 158          1HD1      LEU 158 -14.834  -4.093   5.600
  205   HD12  LEU 158          2HD1      LEU 158 -13.455  -5.059   5.070
  206   HD13  LEU 158          3HD1      LEU 158 -14.928  -5.016   4.100
  207   HD21  LEU 158          3HD2      LEU 158 -12.100  -4.353   3.148
  208   HD22  LEU 158          1HD2      LEU 158 -12.471  -2.856   2.291
  209   HD23  LEU 158          2HD2      LEU 158 -13.517  -4.261   2.102
  210    H    ARG 159           H        ARG 159 -16.256   0.255   4.101
  211    HA   ARG 159           HA       ARG 159 -18.240   0.375   2.092
  212    HB2  ARG 159           HB2      ARG 159 -17.856   2.069   4.563
  213    HB3  ARG 159           HB1      ARG 159 -19.279   2.136   3.537
  214    HG2  ARG 159           HG2      ARG 159 -19.578  -0.331   4.024
  215    HG3  ARG 159           HG1      ARG 159 -18.339  -0.135   5.268
  216    HD2  ARG 159           HD2      ARG 159 -20.525   0.082   6.274
  217    HD3  ARG 159           HD1      ARG 159 -19.703   1.645   6.301
  218    HE   ARG 159           HE       ARG 159 -21.162   1.722   4.001
  219   HH11  ARG 159          1HH1      ARG 159 -21.973   1.079   7.355
  220   HH12  ARG 159          2HH1      ARG 159 -23.582   1.717   7.211
  221   HH21  ARG 159          1HH2      ARG 159 -23.288   2.519   3.816
  222   HH22  ARG 159          2HH2      ARG 159 -24.337   2.512   5.199
  223    H    ARG 160           H        ARG 160 -15.618   2.538   2.998
  224    HA   ARG 160           HA       ARG 160 -16.456   4.725   1.404
  225    HB2  ARG 160           HB2      ARG 160 -14.882   5.056   3.224
  226    HB3  ARG 160           HB1      ARG 160 -13.713   3.998   2.447
  227    HG2  ARG 160           HG2      ARG 160 -13.457   5.566   0.624
  228    HG3  ARG 160           HG1      ARG 160 -14.700   6.607   1.314
  229    HD2  ARG 160           HD2      ARG 160 -12.173   5.878   2.770
  230    HD3  ARG 160           HD1      ARG 160 -12.303   7.291   1.725
  231    HE   ARG 160           HE       ARG 160 -14.354   7.188   3.737
  232   HH11  ARG 160          1HH1      ARG 160 -11.032   8.095   3.088
  233   HH12  ARG 160          2HH1      ARG 160 -10.980   9.309   4.338
  234   HH21  ARG 160          1HH2      ARG 160 -14.303   8.810   5.360
  235   HH22  ARG 160          2HH2      ARG 160 -12.845   9.729   5.611
  236    H    TYR 161           H        TYR 161 -14.137   2.067   0.825
  237    HA   TYR 161           HA       TYR 161 -13.366   2.701  -1.751
  238    HB2  TYR 161           HB2      TYR 161 -12.423   0.803  -0.519
  239    HB3  TYR 161           HB1      TYR 161 -13.965  -0.044  -0.613
  240    HD1  TYR 161           HD2      TYR 161 -14.708  -1.054  -2.705
  241    HD2  TYR 161           HD1      TYR 161 -10.963   0.951  -2.455
  242    HE1  TYR 161           HE2      TYR 161 -14.030  -2.065  -4.839
  243    HE2  TYR 161           HE1      TYR 161 -10.279  -0.056  -4.591
  244    HH   TYR 161           HH       TYR 161 -10.849  -2.035  -5.955
  245    H    LYS 162           H        LYS 162 -16.210   0.871  -0.706
  246    HA   LYS 162           HA       LYS 162 -17.178   0.396  -3.323
  247    HB2  LYS 162           HB2      LYS 162 -18.613   0.330  -0.667
  248    HB3  LYS 162           HB1      LYS 162 -19.257  -0.308  -2.175
  249    HG2  LYS 162           HG2      LYS 162 -17.503  -1.944  -2.291
  250    HG3  LYS 162           HG1      LYS 162 -16.706  -1.246  -0.882
  251    HD2  LYS 162           HD2      LYS 162 -17.915  -3.238  -0.241
  252    HD3  LYS 162           HD1      LYS 162 -18.676  -1.820   0.479
  253    HE2  LYS 162           HE2      LYS 162 -20.380  -1.838  -1.257
  254    HE3  LYS 162           HE1      LYS 162 -19.600  -3.220  -2.027
  255    HZ1  LYS 162           HZ1      LYS 162 -20.774  -3.208   0.701
  256    HZ2  LYS 162           HZ2      LYS 162 -20.050  -4.534  -0.064
  257    HZ3  LYS 162           HZ3      LYS 162 -21.488  -3.889  -0.675
  258    H    ARG 163           H        ARG 163 -17.596   3.045  -1.088
  259    HA   ARG 163           HA       ARG 163 -19.816   4.178  -2.524
  260    HB2  ARG 163           HB2      ARG 163 -19.636   4.590  -0.148
  261    HB3  ARG 163           HB1      ARG 163 -18.046   5.312  -0.353
  262    HG2  ARG 163           HG2      ARG 163 -19.007   7.162  -1.581
  263    HG3  ARG 163           HG1      ARG 163 -20.605   6.424  -1.486
  264    HD2  ARG 163           HD2      ARG 163 -18.973   7.220   0.918
  265    HD3  ARG 163           HD1      ARG 163 -20.189   8.254   0.169
  266    HE   ARG 163           HE       ARG 163 -21.488   5.890   0.672
  267   HH11  ARG 163          1HH1      ARG 163 -19.729   8.241   2.597
  268   HH12  ARG 163          2HH1      ARG 163 -20.681   7.970   4.029
  269   HH21  ARG 163          1HH2      ARG 163 -22.737   5.533   2.554
  270   HH22  ARG 163          2HH2      ARG 163 -22.398   6.432   4.005
  271    H    HIS 164           H        HIS 164 -16.332   4.811  -2.291
  272    HA   HIS 164           HA       HIS 164 -16.388   7.143  -3.920
  273    HB2  HIS 164           HB2      HIS 164 -14.554   6.459  -2.291
  274    HB3  HIS 164           HB1      HIS 164 -14.006   5.329  -3.524
  275    HD1  HIS 164           HD1      HIS 164 -13.062   6.426  -5.784
  276    HD2  HIS 164           HD2      HIS 164 -13.790   9.070  -2.647
  277    HE1  HIS 164           HE1      HIS 164 -11.824   8.535  -6.364
  278    HE2  HIS 164           HE2      HIS 164 -12.370  10.156  -4.516
  279    H    PHE 165           H        PHE 165 -15.726   3.725  -4.566
  280    HA   PHE 165           HA       PHE 165 -15.195   4.250  -7.357
  281    HB2  PHE 165           HB2      PHE 165 -15.205   1.784  -5.653
  282    HB3  PHE 165           HB1      PHE 165 -15.169   1.653  -7.409
  283    HD1  PHE 165           HD1      PHE 165 -13.349   3.002  -4.480
  284    HD2  PHE 165           HD2      PHE 165 -13.195   2.021  -8.617
  285    HE1  PHE 165           HE1      PHE 165 -10.913   3.338  -4.470
  286    HE2  PHE 165           HE2      PHE 165 -10.758   2.352  -8.611
  287    HZ   PHE 165           HZ       PHE 165  -9.616   3.014  -6.535
  288    H    LYS 166           H        LYS 166 -17.935   4.082  -5.603
  289    HA   LYS 166           HA       LYS 166 -20.136   3.848  -6.048
  290    HB2  LYS 166           HB2      LYS 166 -19.246   4.067  -8.931
  291    HB3  LYS 166           HB1      LYS 166 -20.897   4.244  -8.356
  292    HG2  LYS 166           HG2      LYS 166 -18.561   6.047  -7.769
  293    HG3  LYS 166           HG1      LYS 166 -19.989   6.417  -8.739
  294    HD2  LYS 166           HD2      LYS 166 -21.395   6.183  -6.744
  295    HD3  LYS 166           HD1      LYS 166 -19.961   5.828  -5.779
  296    HE2  LYS 166           HE2      LYS 166 -19.064   8.064  -6.474
  297    HE3  LYS 166           HE1      LYS 166 -20.639   8.398  -7.191
  298    HZ1  LYS 166           HZ1      LYS 166 -19.988   7.972  -4.335
  299    HZ2  LYS 166           HZ2      LYS 166 -21.578   7.894  -4.916
  300    HZ3  LYS 166           HZ3      LYS 166 -20.691   9.335  -5.058
  301    H    LEU 167           H        LEU 167 -19.598   1.608  -5.237
  302    HA   LEU 167           HA       LEU 167 -20.071  -0.433  -7.293
  303    HB2  LEU 167           HB2      LEU 167 -19.155  -0.675  -4.425
  304    HB3  LEU 167           HB1      LEU 167 -19.472  -2.041  -5.479
  305    HG   LEU 167           HG       LEU 167 -17.354   0.064  -5.937
  306   HD11  LEU 167          1HD1      LEU 167 -17.129  -2.809  -5.053
  307   HD12  LEU 167          2HD1      LEU 167 -16.825  -1.387  -4.056
  308   HD13  LEU 167          3HD1      LEU 167 -15.780  -1.738  -5.433
  309   HD21  LEU 167          3HD2      LEU 167 -18.238  -0.838  -8.021
  310   HD22  LEU 167          1HD2      LEU 167 -17.974  -2.479  -7.434
  311   HD23  LEU 167          2HD2      LEU 167 -16.598  -1.417  -7.732
  312    HA   PRO 168           HA       PRO 168 -24.319  -0.781  -6.110
  313    HB2  PRO 168           HB2      PRO 168 -24.706  -3.382  -6.896
  314    HB3  PRO 168           HB1      PRO 168 -24.711  -2.005  -8.001
  315    HG2  PRO 168           HG2      PRO 168 -22.511  -3.939  -7.395
  316    HG3  PRO 168           HG1      PRO 168 -23.016  -3.267  -8.958
  317    HD2  PRO 168           HD2      PRO 168 -20.865  -2.328  -7.651
  318    HD3  PRO 168           HD1      PRO 168 -21.926  -1.256  -8.588
  319    H    THR 169           H        THR 169 -25.400  -1.386  -4.312
  320    HA   THR 169           HA       THR 169 -24.260  -3.556  -2.688
  321    HB   THR 169           HB       THR 169 -24.815  -2.217  -0.641
  322    HG1  THR 169           HG1      THR 169 -24.824   0.043  -2.375
  323   HG21  THR 169          3HG2      THR 169 -22.512  -2.416  -1.452
  324   HG22  THR 169          1HG2      THR 169 -22.802  -0.836  -0.725
  325   HG23  THR 169          2HG2      THR 169 -22.751  -1.003  -2.481
  326    H    ARG 170           H        ARG 170 -25.722  -4.733  -1.474
  327    HA   ARG 170           HA       ARG 170 -28.561  -4.208  -2.036
  328    HB2  ARG 170           HB2      ARG 170 -27.268  -6.868  -1.387
  329    HB3  ARG 170           HB1      ARG 170 -28.946  -6.601  -1.837
  330    HG2  ARG 170           HG2      ARG 170 -28.285  -5.923  -4.057
  331    HG3  ARG 170           HG1      ARG 170 -26.581  -6.064  -3.620
  332    HD2  ARG 170           HD2      ARG 170 -27.007  -8.483  -3.124
  333    HD3  ARG 170           HD1      ARG 170 -28.619  -8.273  -3.809
  334    HE   ARG 170           HE       ARG 170 -27.261  -7.452  -5.866
  335   HH11  ARG 170          1HH1      ARG 170 -26.371 -10.058  -3.693
  336   HH12  ARG 170          2HH1      ARG 170 -25.452 -10.917  -4.897
  337   HH21  ARG 170          1HH2      ARG 170 -26.071  -8.584  -7.451
  338   HH22  ARG 170          2HH2      ARG 170 -25.271 -10.071  -7.035
  339    HA   PRO 171           HA       PRO 171 -29.256  -3.501   2.271
  340    HB2  PRO 171           HB2      PRO 171 -31.664  -4.879   2.518
  341    HB3  PRO 171           HB1      PRO 171 -31.493  -3.199   2.001
  342    HG2  PRO 171           HG2      PRO 171 -31.846  -5.664   0.357
  343    HG3  PRO 171           HG1      PRO 171 -32.515  -4.042   0.108
  344    HD2  PRO 171           HD2      PRO 171 -30.447  -4.934  -1.335
  345    HD3  PRO 171           HD1      PRO 171 -30.547  -3.237  -0.817
  346    H    GLY 172           H        GLY 172 -28.426  -4.497   3.986
  347    HA2  GLY 172           HA2      GLY 172 -28.322  -6.360   5.505
  348    HA3  GLY 172           HA1      GLY 172 -28.606  -7.434   4.141
  349    H    LEU 173           H        LEU 173 -26.330  -4.754   4.640
  350    HA   LEU 173           HA       LEU 173 -24.205  -6.338   3.491
  351    HB2  LEU 173           HB2      LEU 173 -24.249  -3.524   4.570
  352    HB3  LEU 173           HB1      LEU 173 -22.830  -4.286   3.874
  353    HG   LEU 173           HG       LEU 173 -25.416  -3.728   2.418
  354   HD11  LEU 173          1HD1      LEU 173 -24.121  -1.711   2.932
  355   HD12  LEU 173          2HD1      LEU 173 -24.125  -2.066   1.204
  356   HD13  LEU 173          3HD1      LEU 173 -22.702  -2.438   2.177
  357   HD21  LEU 173          3HD2      LEU 173 -22.798  -4.845   1.412
  358   HD22  LEU 173          1HD2      LEU 173 -24.196  -4.430   0.419
  359   HD23  LEU 173          2HD2      LEU 173 -24.304  -5.743   1.592
  360    H    ASN 174           H        ASN 174 -22.372  -7.014   4.485
  361    HA   ASN 174           HA       ASN 174 -22.136  -6.703   7.386
  362    HB2  ASN 174           HB2      ASN 174 -22.024  -9.335   5.884
  363    HB3  ASN 174           HB1      ASN 174 -21.500  -9.129   7.550
  364   HD21  ASN 174          1HD2      ASN 174 -23.033  -8.843   9.161
  365   HD22  ASN 174          2HD2      ASN 174 -24.720  -9.147   8.900
  366    H    LYS 175           H        LYS 175 -19.901  -7.778   8.019
  367    HA   LYS 175           HA       LYS 175 -17.879  -6.273   6.835
  368    HB2  LYS 175           HB2      LYS 175 -17.732  -7.251   9.092
  369    HB3  LYS 175           HB1      LYS 175 -17.621  -8.857   8.390
  370    HG2  LYS 175           HG2      LYS 175 -15.442  -8.085   9.085
  371    HG3  LYS 175           HG1      LYS 175 -15.499  -8.242   7.329
  372    HD2  LYS 175           HD2      LYS 175 -15.881  -5.813   7.150
  373    HD3  LYS 175           HD1      LYS 175 -15.760  -5.679   8.904
  374    HE2  LYS 175           HE2      LYS 175 -13.573  -6.769   7.141
  375    HE3  LYS 175           HE1      LYS 175 -13.670  -5.090   7.660
  376    HZ1  LYS 175           HZ1      LYS 175 -13.553  -7.382   9.548
  377    HZ2  LYS 175           HZ2      LYS 175 -13.383  -5.735   9.912
  378    HZ3  LYS 175           HZ3      LYS 175 -12.186  -6.530   9.020
  379    H    ALA 176           H        ALA 176 -18.663  -9.713   6.367
  380    HA   ALA 176           HA       ALA 176 -16.648 -10.253   4.476
  381    HB1  ALA 176           HB1      ALA 176 -17.953 -12.244   3.920
  382    HB2  ALA 176           HB2      ALA 176 -19.324 -11.596   4.822
  383    HB3  ALA 176           HB3      ALA 176 -17.833 -12.015   5.665
  384    H    GLN 177           H        GLN 177 -19.950  -9.062   4.119
  385    HA   GLN 177           HA       GLN 177 -20.199  -9.372   1.334
  386    HB2  GLN 177           HB2      GLN 177 -21.478  -7.397   3.230
  387    HB3  GLN 177           HB1      GLN 177 -21.931  -7.551   1.536
  388    HG2  GLN 177           HG2      GLN 177 -22.067  -9.793   3.534
  389    HG3  GLN 177           HG1      GLN 177 -23.428  -8.764   3.091
  390   HE21  GLN 177          1HE2      GLN 177 -21.241 -11.257   2.010
  391   HE22  GLN 177          2HE2      GLN 177 -22.159 -11.734   0.623
  392    H    LEU 178           H        LEU 178 -18.952  -6.750   3.313
  393    HA   LEU 178           HA       LEU 178 -18.474  -4.924   1.220
  394    HB2  LEU 178           HB2      LEU 178 -16.985  -5.237   3.830
  395    HB3  LEU 178           HB1      LEU 178 -16.956  -3.824   2.791
  396    HG   LEU 178           HG       LEU 178 -19.393  -4.863   4.238
  397   HD11  LEU 178          1HD1      LEU 178 -17.680  -2.448   4.797
  398   HD12  LEU 178          2HD1      LEU 178 -17.707  -3.936   5.747
  399   HD13  LEU 178          3HD1      LEU 178 -19.146  -2.919   5.660
  400   HD21  LEU 178          3HD2      LEU 178 -18.967  -2.356   2.621
  401   HD22  LEU 178          1HD2      LEU 178 -20.416  -2.754   3.544
  402   HD23  LEU 178          2HD2      LEU 178 -19.957  -3.740   2.156
  403    H    VAL 179           H        VAL 179 -16.336  -7.256   2.860
  404    HA   VAL 179           HA       VAL 179 -14.032  -6.811   1.379
  405    HB   VAL 179           HB       VAL 179 -15.013  -9.373   2.648
  406   HG11  VAL 179          1HG1      VAL 179 -13.281  -9.838   1.003
  407   HG12  VAL 179          2HG1      VAL 179 -12.673 -10.075   2.640
  408   HG13  VAL 179          3HG1      VAL 179 -12.242  -8.621   1.741
  409   HG21  VAL 179          3HG2      VAL 179 -13.168  -7.218   3.652
  410   HG22  VAL 179          1HG2      VAL 179 -13.539  -8.724   4.493
  411   HG23  VAL 179          2HG2      VAL 179 -14.809  -7.532   4.216
  412    H    GLU 180           H        GLU 180 -16.660  -9.144   0.773
  413    HA   GLU 180           HA       GLU 180 -15.527 -10.406  -1.432
  414    HB2  GLU 180           HB2      GLU 180 -18.420  -9.928  -0.730
  415    HB3  GLU 180           HB1      GLU 180 -17.908 -10.947  -2.069
  416    HG2  GLU 180           HG2      GLU 180 -16.711 -12.394  -0.527
  417    HG3  GLU 180           HG1      GLU 180 -17.186 -11.365   0.822
  418    H    ILE 181           H        ILE 181 -17.719  -7.591  -1.374
  419    HA   ILE 181           HA       ILE 181 -17.678  -7.291  -4.209
  420    HB   ILE 181           HB       ILE 181 -18.445  -5.283  -2.083
  421   HG12  ILE 181          2HG1      ILE 181 -20.133  -7.186  -3.729
  422   HG13  ILE 181          1HG1      ILE 181 -19.765  -7.367  -2.018
  423   HG21  ILE 181          1HG2      ILE 181 -17.950  -4.177  -4.187
  424   HG22  ILE 181          2HG2      ILE 181 -19.688  -4.164  -3.889
  425   HG23  ILE 181          3HG2      ILE 181 -19.003  -5.300  -5.050
  426   HD11  ILE 181          3HD1      ILE 181 -21.001  -5.339  -1.523
  427   HD12  ILE 181          1HD1      ILE 181 -22.012  -6.499  -2.382
  428   HD13  ILE 181          2HD1      ILE 181 -21.342  -5.110  -3.239
  429    H    VAL 182           H        VAL 182 -15.899  -5.713  -1.560
  430    HA   VAL 182           HA       VAL 182 -14.508  -3.828  -3.100
  431    HB   VAL 182           HB       VAL 182 -13.725  -5.197  -0.520
  432   HG11  VAL 182          1HG1      VAL 182 -12.361  -2.865  -1.868
  433   HG12  VAL 182          2HG1      VAL 182 -11.697  -4.490  -1.702
  434   HG13  VAL 182          3HG1      VAL 182 -11.984  -3.505  -0.267
  435   HG21  VAL 182          3HG2      VAL 182 -14.757  -2.431  -1.133
  436   HG22  VAL 182          1HG2      VAL 182 -14.265  -3.008   0.461
  437   HG23  VAL 182          2HG2      VAL 182 -15.651  -3.735  -0.352
  438    H    GLY 183           H        GLY 183 -13.597  -7.132  -2.142
  439    HA2  GLY 183           HA2      GLY 183 -11.088  -7.129  -3.418
  440    HA3  GLY 183           HA1      GLY 183 -11.990  -8.553  -2.931
  441    H    CYS 184           H        CYS 184 -14.274  -8.065  -4.520
  442    HA   CYS 184           HA       CYS 184 -13.584  -9.286  -6.929
  443    HB2  CYS 184           HB2      CYS 184 -15.853  -9.353  -6.003
  444    HB3  CYS 184           HB1      CYS 184 -16.028  -7.623  -6.272
  445    HG   CYS 184           HG       CYS 184 -15.426  -9.711  -8.900
  446    H    HIS 185           H        HIS 185 -14.160  -5.860  -6.172
  447    HA   HIS 185           HA       HIS 185 -13.561  -5.108  -8.916
  448    HB2  HIS 185           HB2      HIS 185 -15.301  -3.945  -7.506
  449    HB3  HIS 185           HB1      HIS 185 -13.982  -3.271  -6.554
  450    HD1  HIS 185           HD1      HIS 185 -12.792  -1.254  -7.481
  451    HD2  HIS 185           HD2      HIS 185 -15.392  -2.998 -10.221
  452    HE1  HIS 185           HE1      HIS 185 -12.902   0.342  -9.429
  453    HE2  HIS 185           HE2      HIS 185 -14.322  -0.829 -11.144
  454    H    PHE 186           H        PHE 186 -11.923  -5.303  -5.869
  455    HA   PHE 186           HA       PHE 186  -9.879  -3.444  -6.265
  456    HB2  PHE 186           HB2      PHE 186 -10.493  -4.589  -4.109
  457    HB3  PHE 186           HB1      PHE 186  -9.664  -6.021  -4.708
  458    HD1  PHE 186           HD1      PHE 186  -9.165  -2.442  -3.928
  459    HD2  PHE 186           HD2      PHE 186  -7.376  -6.270  -4.398
  460    HE1  PHE 186           HE1      PHE 186  -7.053  -1.560  -3.049
  461    HE2  PHE 186           HE2      PHE 186  -5.261  -5.396  -3.515
  462    HZ   PHE 186           HZ       PHE 186  -5.091  -3.033  -2.837
  463    H    LYS 187           H        LYS 187 -10.070  -6.892  -7.075
  464    HA   LYS 187           HA       LYS 187  -7.382  -6.938  -8.099
  465    HB2  LYS 187           HB2      LYS 187  -9.628  -8.945  -8.325
  466    HB3  LYS 187           HB1      LYS 187  -7.996  -9.218  -8.918
  467    HG2  LYS 187           HG2      LYS 187  -7.172  -8.870  -6.584
  468    HG3  LYS 187           HG1      LYS 187  -8.856  -8.824  -6.060
  469    HD2  LYS 187           HD2      LYS 187  -7.998 -11.047  -5.724
  470    HD3  LYS 187           HD1      LYS 187  -9.170 -11.087  -7.041
  471    HE2  LYS 187           HE2      LYS 187  -7.325 -12.412  -7.733
  472    HE3  LYS 187           HE1      LYS 187  -7.232 -10.900  -8.634
  473    HZ1  LYS 187           HZ1      LYS 187  -5.657 -10.173  -6.761
  474    HZ2  LYS 187           HZ2      LYS 187  -5.069 -11.247  -7.930
  475    HZ3  LYS 187           HZ3      LYS 187  -5.533 -11.831  -6.404
  476    H    SER 188           H        SER 188  -9.572  -5.129  -9.319
  477    HA   SER 188           HA       SER 188  -8.818  -5.741 -12.078
  478    HB2  SER 188           HB2      SER 188 -11.167  -5.215 -12.820
  479    HB3  SER 188           HB1      SER 188 -11.001  -6.727 -11.930
  480    HG   SER 188           HG       SER 188 -11.477  -4.698 -10.224
  481    H    ILE 189           H        ILE 189  -8.225  -3.653  -9.918
  482    HA   ILE 189           HA       ILE 189  -9.263  -1.197 -11.000
  483    HB   ILE 189           HB       ILE 189  -7.086  -1.706  -8.965
  484   HG12  ILE 189          2HG1      ILE 189  -9.936  -0.758  -8.614
  485   HG13  ILE 189          1HG1      ILE 189  -9.353  -2.380  -8.259
  486   HG21  ILE 189          1HG2      ILE 189  -6.719   0.423 -10.074
  487   HG22  ILE 189          2HG2      ILE 189  -7.253   0.666  -8.410
  488   HG23  ILE 189          3HG2      ILE 189  -8.386   0.899  -9.742
  489   HD11  ILE 189          3HD1      ILE 189  -7.869  -1.462  -6.547
  490   HD12  ILE 189          1HD1      ILE 189  -9.561  -1.077  -6.234
  491   HD13  ILE 189          2HD1      ILE 189  -8.485   0.154  -6.892
  492    HA   PRO 190           HA       PRO 190  -6.009  -0.837 -14.091
  493    HB2  PRO 190           HB2      PRO 190  -6.775   1.607 -14.997
  494    HB3  PRO 190           HB1      PRO 190  -7.569   0.107 -15.492
  495    HG2  PRO 190           HG2      PRO 190  -8.419   2.118 -13.448
  496    HG3  PRO 190           HG1      PRO 190  -9.399   1.249 -14.644
  497    HD2  PRO 190           HD2      PRO 190  -9.278   0.526 -12.029
  498    HD3  PRO 190           HD1      PRO 190  -9.543  -0.638 -13.342
  499    H    VAL 191           H        VAL 191  -4.023   0.185 -14.034
  500    HA   VAL 191           HA       VAL 191  -3.623   2.430 -12.248
  501    HB   VAL 191           HB       VAL 191  -3.628   0.252 -10.893
  502   HG11  VAL 191          1HG1      VAL 191  -0.964  -0.078 -12.252
  503   HG12  VAL 191          2HG1      VAL 191  -2.356  -1.154 -12.372
  504   HG13  VAL 191          3HG1      VAL 191  -1.504  -0.980 -10.837
  505   HG21  VAL 191          3HG2      VAL 191  -1.208   2.036 -10.734
  506   HG22  VAL 191          1HG2      VAL 191  -1.802   0.975  -9.455
  507   HG23  VAL 191          2HG2      VAL 191  -2.784   2.338  -9.995
  508    H    ASN 192           H        ASN 192  -1.463   3.329 -12.389
  509    HA   ASN 192           HA       ASN 192   0.036   2.481 -14.789
  510    HB2  ASN 192           HB2      ASN 192  -1.292   4.547 -15.216
  511    HB3  ASN 192           HB1      ASN 192  -0.474   5.329 -13.872
  512   HD21  ASN 192          1HD2      ASN 192  -0.584   6.079 -16.682
  513   HD22  ASN 192          2HD2      ASN 192   1.059   6.152 -17.222
  514    H    GLU 193           H        GLU 193   2.023   1.864 -14.231
  515    HA   GLU 193           HA       GLU 193   2.955   1.734 -11.662
  516    HB2  GLU 193           HB2      GLU 193   3.845   0.403 -13.528
  517    HB3  GLU 193           HB1      GLU 193   4.646   1.834 -14.163
  518    HG2  GLU 193           HG2      GLU 193   5.958   1.973 -12.069
  519    HG3  GLU 193           HG1      GLU 193   5.212   0.466 -11.543
  520    H    LYS 194           H        LYS 194   4.310   3.968 -14.103
  521    HA   LYS 194           HA       LYS 194   5.989   5.249 -12.232
  522    HB2  LYS 194           HB2      LYS 194   6.410   5.200 -14.651
  523    HB3  LYS 194           HB1      LYS 194   5.028   6.253 -14.910
  524    HG2  LYS 194           HG2      LYS 194   7.124   7.483 -15.013
  525    HG3  LYS 194           HG1      LYS 194   6.123   8.030 -13.667
  526    HD2  LYS 194           HD2      LYS 194   7.461   6.817 -12.092
  527    HD3  LYS 194           HD1      LYS 194   8.357   6.023 -13.389
  528    HE2  LYS 194           HE2      LYS 194   8.354   8.991 -12.852
  529    HE3  LYS 194           HE1      LYS 194   9.613   7.870 -12.331
  530    HZ1  LYS 194           HZ1      LYS 194  10.099   7.355 -14.610
  531    HZ2  LYS 194           HZ2      LYS 194  10.170   9.037 -14.400
  532    HZ3  LYS 194           HZ3      LYS 194   8.827   8.332 -15.158
  533    H    ASP 195           H        ASP 195   2.849   6.204 -13.594
  534    HA   ASP 195           HA       ASP 195   2.815   8.766 -12.390
  535    HB2  ASP 195           HB2      ASP 195   1.404   8.166 -14.330
  536    HB3  ASP 195           HB1      ASP 195   0.463   7.096 -13.296
  537    H    THR 196           H        THR 196   1.508   5.631 -11.404
  538    HA   THR 196           HA       THR 196   0.156   6.567  -9.109
  539    HB   THR 196           HB       THR 196   1.240   3.810  -9.724
  540    HG1  THR 196           HG1      THR 196  -0.773   5.193 -10.769
  541   HG21  THR 196          3HG2      THR 196   0.851   4.104  -7.320
  542   HG22  THR 196          1HG2      THR 196  -0.328   3.004  -8.033
  543   HG23  THR 196          2HG2      THR 196  -0.787   4.665  -7.656
  544    H    LEU 197           H        LEU 197   3.441   5.283  -9.594
  545    HA   LEU 197           HA       LEU 197   4.286   5.359  -6.925
  546    HB2  LEU 197           HB2      LEU 197   5.880   5.944  -9.423
  547    HB3  LEU 197           HB1      LEU 197   6.575   5.679  -7.836
  548    HG   LEU 197           HG       LEU 197   5.135   3.672  -9.561
  549   HD11  LEU 197          1HD1      LEU 197   7.421   4.041 -10.201
  550   HD12  LEU 197          2HD1      LEU 197   7.299   2.484  -9.380
  551   HD13  LEU 197          3HD1      LEU 197   7.957   3.884  -8.528
  552   HD21  LEU 197          3HD2      LEU 197   4.458   3.363  -7.235
  553   HD22  LEU 197          1HD2      LEU 197   6.150   3.349  -6.738
  554   HD23  LEU 197          2HD2      LEU 197   5.524   2.060  -7.766
  555    H    THR 198           H        THR 198   4.348   7.824  -9.452
  556    HA   THR 198           HA       THR 198   5.550   9.895  -8.042
  557    HB   THR 198           HB       THR 198   3.370  10.139 -10.129
  558    HG1  THR 198           HG1      THR 198   5.155   8.906 -10.875
  559   HG21  THR 198          3HG2      THR 198   4.392  12.319 -10.608
  560   HG22  THR 198          1HG2      THR 198   5.520  12.081  -9.275
  561   HG23  THR 198          2HG2      THR 198   3.795  12.240  -8.949
  562    H    CYS 199           H        CYS 199   2.085   9.127  -8.360
  563    HA   CYS 199           HA       CYS 199   1.070  11.134  -6.709
  564    HB2  CYS 199           HB2      CYS 199   0.004   8.313  -6.997
  565    HB3  CYS 199           HB1      CYS 199  -0.900   9.717  -6.443
  566    HG   CYS 199           HG       CYS 199   0.288   9.187  -9.609
  567    H    PHE 200           H        PHE 200   1.889   7.777  -5.884
  568    HA   PHE 200           HA       PHE 200   1.298   7.815  -3.186
  569    HB2  PHE 200           HB2      PHE 200   1.790   5.739  -4.240
  570    HB3  PHE 200           HB1      PHE 200   3.387   6.291  -4.743
  571    HD1  PHE 200           HD1      PHE 200   1.429   5.853  -1.594
  572    HD2  PHE 200           HD2      PHE 200   5.176   5.481  -3.575
  573    HE1  PHE 200           HE1      PHE 200   2.397   4.856   0.431
  574    HE2  PHE 200           HE2      PHE 200   6.154   4.485  -1.550
  575    HZ   PHE 200           HZ       PHE 200   4.763   4.170   0.459
  576    H    ILE 201           H        ILE 201   4.449   8.495  -4.699
  577    HA   ILE 201           HA       ILE 201   5.885   8.926  -2.358
  578    HB   ILE 201           HB       ILE 201   6.307  10.191  -5.074
  579   HG12  ILE 201          2HG1      ILE 201   7.603   7.763  -3.813
  580   HG13  ILE 201          1HG1      ILE 201   6.326   7.703  -5.025
  581   HG21  ILE 201          1HG2      ILE 201   7.482  11.442  -3.354
  582   HG22  ILE 201          2HG2      ILE 201   8.623  10.540  -4.351
  583   HG23  ILE 201          3HG2      ILE 201   8.203   9.954  -2.742
  584   HD11  ILE 201          3HD1      ILE 201   7.835   8.897  -6.586
  585   HD12  ILE 201          1HD1      ILE 201   8.428   7.314  -6.088
  586   HD13  ILE 201          2HD1      ILE 201   9.114   8.776  -5.377
  587    H    TYR 202           H        TYR 202   4.319  11.360  -4.462
  588    HA   TYR 202           HA       TYR 202   5.117  13.496  -2.744
  589    HB2  TYR 202           HB2      TYR 202   3.295  13.381  -5.136
  590    HB3  TYR 202           HB1      TYR 202   3.584  14.868  -4.235
  591    HD1  TYR 202           HD1      TYR 202   6.051  15.584  -3.943
  592    HD2  TYR 202           HD2      TYR 202   4.751  12.774  -6.860
  593    HE1  TYR 202           HE1      TYR 202   8.106  15.978  -5.231
  594    HE2  TYR 202           HE2      TYR 202   6.808  13.162  -8.154
  595    HH   TYR 202           HH       TYR 202   8.516  14.860  -8.436
  596    H    SER 203           H        SER 203   2.178  11.570  -3.016
  597    HA   SER 203           HA       SER 203   0.528  13.249  -1.463
  598    HB2  SER 203           HB2      SER 203   0.469  10.228  -1.736
  599    HB3  SER 203           HB1      SER 203  -0.806  11.204  -1.010
  600    HG   SER 203           HG       SER 203  -0.171  12.178  -3.444
  601    H    VAL 204           H        VAL 204   2.490  10.431  -0.522
  602    HA   VAL 204           HA       VAL 204   1.854  10.573   2.228
  603    HB   VAL 204           HB       VAL 204   4.248   9.294   0.896
  604   HG11  VAL 204          1HG1      VAL 204   4.398   7.903   2.865
  605   HG12  VAL 204          2HG1      VAL 204   3.016   8.725   3.589
  606   HG13  VAL 204          3HG1      VAL 204   4.525   9.600   3.324
  607   HG21  VAL 204          3HG2      VAL 204   2.142   8.473  -0.007
  608   HG22  VAL 204          1HG2      VAL 204   1.556   8.143   1.624
  609   HG23  VAL 204          2HG2      VAL 204   2.923   7.236   0.976
  610    H    ARG 205           H        ARG 205   4.385  12.035   0.292
  611    HA   ARG 205           HA       ARG 205   5.972  12.920   2.492
  612    HB2  ARG 205           HB2      ARG 205   5.903  13.468  -0.439
  613    HB3  ARG 205           HB1      ARG 205   6.826  14.545   0.600
  614    HG2  ARG 205           HG2      ARG 205   8.282  12.840   1.268
  615    HG3  ARG 205           HG1      ARG 205   7.203  11.573   0.680
  616    HD2  ARG 205           HD2      ARG 205   9.244  12.035  -0.731
  617    HD3  ARG 205           HD1      ARG 205   7.698  12.065  -1.577
  618    HE   ARG 205           HE       ARG 205   8.105  14.663  -0.906
  619   HH11  ARG 205          1HH1      ARG 205  10.096  12.284  -2.559
  620   HH12  ARG 205          2HH1      ARG 205  10.819  13.462  -3.611
  621   HH21  ARG 205          1HH2      ARG 205   9.082  16.193  -2.275
  622   HH22  ARG 205          2HH2      ARG 205  10.256  15.667  -3.445
  623    H    ASN 206           H        ASN 206   2.961  13.912   1.510
  624    HA   ASN 206           HA       ASN 206   3.386  16.569   2.709
  625    HB2  ASN 206           HB2      ASN 206   1.709  15.786   0.351
  626    HB3  ASN 206           HB1      ASN 206   1.255  17.175   1.330
  627   HD21  ASN 206          1HD2      ASN 206   2.129  17.033  -1.453
  628   HD22  ASN 206          2HD2      ASN 206   3.505  18.078  -1.566
  629    H    ASP 207           H        ASP 207   0.869  14.100   2.100
  630    HA   ASP 207           HA       ASP 207  -0.276  14.753   4.714
  631    HB2  ASP 207           HB2      ASP 207  -1.811  14.169   2.166
  632    HB3  ASP 207           HB1      ASP 207  -2.529  14.343   3.763
  633    H    LYS 208           H        LYS 208  -1.756  12.944   5.409
  634    HA   LYS 208           HA       LYS 208  -0.830  10.322   4.484
  635    HB2  LYS 208           HB2      LYS 208  -0.771  11.192   7.385
  636    HB3  LYS 208           HB1      LYS 208  -0.368   9.589   6.781
  637    HG2  LYS 208           HG2      LYS 208   1.525  10.502   5.559
  638    HG3  LYS 208           HG1      LYS 208   1.103  12.126   6.098
  639    HD2  LYS 208           HD2      LYS 208   1.445  11.388   8.437
  640    HD3  LYS 208           HD1      LYS 208   1.983   9.819   7.827
  641    HE2  LYS 208           HE2      LYS 208   3.270  12.501   7.324
  642    HE3  LYS 208           HE1      LYS 208   3.911  11.192   8.314
  643    HZ1  LYS 208           HZ1      LYS 208   5.007  11.170   6.203
  644    HZ2  LYS 208           HZ2      LYS 208   3.535  11.175   5.367
  645    HZ3  LYS 208           HZ3      LYS 208   3.987   9.817   6.275
  646    H    ASN 209           H        ASN 209  -3.365  12.094   4.710
  647    HA   ASN 209           HA       ASN 209  -5.600  11.823   4.922
  648    HB2  ASN 209           HB2      ASN 209  -4.814   8.907   4.958
  649    HB3  ASN 209           HB1      ASN 209  -6.490   9.446   5.000
  650   HD21  ASN 209          1HD2      ASN 209  -5.208   7.865   2.966
  651   HD22  ASN 209          2HD2      ASN 209  -5.312   8.765   1.493
  652    H    LYS 210           H        LYS 210  -3.587  11.536   7.347
  653    HA   LYS 210           HA       LYS 210  -5.731  11.310   9.342
  654    HB2  LYS 210           HB2      LYS 210  -2.953  10.122   9.587
  655    HB3  LYS 210           HB1      LYS 210  -4.145  10.176  10.878
  656    HG2  LYS 210           HG2      LYS 210  -5.632   8.746   9.568
  657    HG3  LYS 210           HG1      LYS 210  -4.436   8.696   8.272
  658    HD2  LYS 210           HD2      LYS 210  -4.234   6.692   9.561
  659    HD3  LYS 210           HD1      LYS 210  -2.825   7.702   9.883
  660    HE2  LYS 210           HE2      LYS 210  -3.640   6.745  11.955
  661    HE3  LYS 210           HE1      LYS 210  -3.882   8.489  11.961
  662    HZ1  LYS 210           HZ1      LYS 210  -5.792   7.130  12.799
  663    HZ2  LYS 210           HZ2      LYS 210  -6.014   6.567  11.214
  664    HZ3  LYS 210           HZ3      LYS 210  -6.181   8.221  11.560
  665    H    SER 211           H        SER 211  -4.921  13.643   8.223
  666    HA   SER 211           HA       SER 211  -2.856  14.805   9.942
  667    HB2  SER 211           HB2      SER 211  -4.195  15.927   7.470
  668    HB3  SER 211           HB1      SER 211  -2.820  16.634   8.319
  669    HG   SER 211           HG       SER 211  -1.827  15.496   6.802
  670    H    ASP 212           H        ASP 212  -6.178  14.519   9.795
  671    HA   ASP 212           HA       ASP 212  -6.488  16.906  11.492
  672    HB2  ASP 212           HB2      ASP 212  -7.752  17.160   9.408
  673    HB3  ASP 212           HB1      ASP 212  -8.569  15.627   9.704
  674    H    LEU 213           H        LEU 213  -7.127  16.570  13.500
  675    HA   LEU 213           HA       LEU 213  -7.813  13.803  14.249
  676    HB2  LEU 213           HB2      LEU 213  -6.428  15.980  15.821
  677    HB3  LEU 213           HB1      LEU 213  -6.951  14.462  16.517
  678    HG   LEU 213           HG       LEU 213  -5.417  13.302  14.865
  679   HD11  LEU 213          1HD1      LEU 213  -4.338  16.096  14.523
  680   HD12  LEU 213          2HD1      LEU 213  -5.141  15.137  13.281
  681   HD13  LEU 213          3HD1      LEU 213  -3.587  14.613  13.931
  682   HD21  LEU 213          3HD2      LEU 213  -4.861  13.562  17.214
  683   HD22  LEU 213          1HD2      LEU 213  -4.199  15.165  16.896
  684   HD23  LEU 213          2HD2      LEU 213  -3.421  13.739  16.211
  685    H    LYS 214           H        LYS 214  -8.577  17.196  14.747
  686    HA   LYS 214           HA       LYS 214 -10.769  16.510  16.557
  687    HB2  LYS 214           HB2      LYS 214  -9.729  19.222  15.718
  688    HB3  LYS 214           HB1      LYS 214 -10.920  18.915  16.972
  689    HG2  LYS 214           HG2      LYS 214  -9.274  17.809  18.331
  690    HG3  LYS 214           HG1      LYS 214  -8.074  17.937  17.042
  691    HD2  LYS 214           HD2      LYS 214  -8.222  20.391  17.182
  692    HD3  LYS 214           HD1      LYS 214  -9.366  20.231  18.517
  693    HE2  LYS 214           HE2      LYS 214  -6.562  19.134  18.527
  694    HE3  LYS 214           HE1      LYS 214  -7.026  20.682  19.227
  695    HZ1  LYS 214           HZ1      LYS 214  -8.054  18.020  20.064
  696    HZ2  LYS 214           HZ2      LYS 214  -8.517  19.512  20.732
  697    HZ3  LYS 214           HZ3      LYS 214  -6.922  18.963  20.905
  698    H    ALA 215           H        ALA 215 -12.075  15.525  14.917
  699    HA   ALA 215           HA       ALA 215 -13.161  17.322  12.888
  700    HB1  ALA 215           HB1      ALA 215 -12.546  15.072  12.178
  701    HB2  ALA 215           HB2      ALA 215 -14.282  15.337  12.004
  702    HB3  ALA 215           HB3      ALA 215 -13.666  14.386  13.356
  703    H    ASP 216           H        ASP 216 -15.050  18.317  13.108
  704    HA   ASP 216           HA       ASP 216 -16.657  17.896  15.470
  705    HB2  ASP 216           HB2      ASP 216 -17.993  19.770  14.654
  706    HB3  ASP 216           HB1      ASP 216 -16.281  20.173  14.572
  707    H    SER 217           H        SER 217 -19.234  18.184  14.688
  708    HA   SER 217           HA       SER 217 -19.789  15.546  13.738
  709    HB2  SER 217           HB2      SER 217 -21.185  16.567  15.460
  710    HB3  SER 217           HB1      SER 217 -21.661  17.846  14.344
  711    HG   SER 217           HG       SER 217 -23.143  16.572  13.621
  712    H    GLY 218           H        GLY 218 -19.214  15.260  11.639
  713    HA2  GLY 218           HA2      GLY 218 -20.199  17.073   9.590
  714    HA3  GLY 218           HA1      GLY 218 -19.214  15.641   9.328
  715    H    VAL 219           H        VAL 219 -22.201  15.821  11.153
  716    HA   VAL 219           HA       VAL 219 -23.427  13.953   9.234
  717    HB   VAL 219           HB       VAL 219 -24.017  14.209  12.193
  718   HG11  VAL 219          1HG1      VAL 219 -24.916  12.174  10.160
  719   HG12  VAL 219          2HG1      VAL 219 -25.921  13.400  10.931
  720   HG13  VAL 219          3HG1      VAL 219 -25.230  12.093  11.893
  721   HG21  VAL 219          3HG2      VAL 219 -22.390  12.130  10.737
  722   HG22  VAL 219          1HG2      VAL 219 -22.856  12.055  12.437
  723   HG23  VAL 219          2HG2      VAL 219 -21.776  13.332  11.873
  724    H    HIS 220           H        HIS 220 -25.492  14.362   8.533
  725    HA   HIS 220           HA       HIS 220 -26.564  17.012   9.205
  726    HB2  HIS 220           HB2      HIS 220 -26.133  16.506   6.801
  727    HB3  HIS 220           HB1      HIS 220 -27.295  15.188   6.899
  728    HD1  HIS 220           HD1      HIS 220 -29.724  15.774   6.554
  729    HD2  HIS 220           HD2      HIS 220 -27.321  19.124   7.122
  730    HE1  HIS 220           HE1      HIS 220 -31.193  17.759   6.061
  731    HE2  HIS 220           HE2      HIS 220 -29.730  19.780   6.435
  732    H1   SER 454           HT1      SER 454  34.275  12.510   6.930
  733    H2   SER 454           HT2      SER 454  33.908  10.923   6.458
  734    H3   SER 454           HT3      SER 454  35.478  11.314   6.954
  735    HA   SER 454           HA       SER 454  34.326  10.123   8.672
  736    HB2  SER 454           HB2      SER 454  34.558  11.929  10.474
  737    HB3  SER 454           HB1      SER 454  35.979  11.618   9.475
  738    HG   SER 454           HG       SER 454  35.828  13.767   9.385
  739    H    ASN 455           H        ASN 455  32.867  13.383   8.647
  740    HA   ASN 455           HA       ASN 455  30.393  12.205   9.651
  741    HB2  ASN 455           HB2      ASN 455  31.218  15.100   9.330
  742    HB3  ASN 455           HB1      ASN 455  29.694  14.558  10.025
  743   HD21  ASN 455          1HD2      ASN 455  29.683  13.601  12.051
  744   HD22  ASN 455          2HD2      ASN 455  31.026  13.720  13.136
  745    H    ALA 456           H        ALA 456  28.914  11.578   8.264
  746    HA   ALA 456           HA       ALA 456  28.380  13.251   5.914
  747    HB1  ALA 456           HB1      ALA 456  28.624  10.243   5.857
  748    HB2  ALA 456           HB2      ALA 456  29.756  11.391   5.141
  749    HB3  ALA 456           HB3      ALA 456  28.115  11.263   4.510
  750    H    SER 457           H        SER 457  26.283  13.667   5.645
  751    HA   SER 457           HA       SER 457  24.336  12.066   7.166
  752    HB2  SER 457           HB2      SER 457  24.148  15.024   6.552
  753    HB3  SER 457           HB1      SER 457  23.083  14.086   7.600
  754    HG   SER 457           HG       SER 457  24.417  14.714   9.111
  755    H    LYS 458           H        LYS 458  22.017  12.534   6.257
  756    HA   LYS 458           HA       LYS 458  22.205  12.114   3.356
  757    HB2  LYS 458           HB2      LYS 458  21.124  10.313   4.623
  758    HB3  LYS 458           HB1      LYS 458  19.957  11.456   5.274
  759    HG2  LYS 458           HG2      LYS 458  19.021  10.128   3.446
  760    HG3  LYS 458           HG1      LYS 458  19.060  11.848   3.053
  761    HD2  LYS 458           HD2      LYS 458  21.222  11.426   1.848
  762    HD3  LYS 458           HD1      LYS 458  20.944   9.701   2.089
  763    HE2  LYS 458           HE2      LYS 458  18.867   9.842   0.837
  764    HE3  LYS 458           HE1      LYS 458  19.081  11.582   0.646
  765    HZ1  LYS 458           HZ1      LYS 458  21.145  11.122  -0.584
  766    HZ2  LYS 458           HZ2      LYS 458  19.783  10.452  -1.345
  767    HZ3  LYS 458           HZ3      LYS 458  20.838   9.456  -0.464
  768    H    HIS 459           H        HIS 459  21.364  13.515   1.955
  769    HA   HIS 459           HA       HIS 459  19.455  15.517   2.935
  770    HB2  HIS 459           HB2      HIS 459  21.881  16.065   1.211
  771    HB3  HIS 459           HB1      HIS 459  20.589  17.224   1.505
  772    HD1  HIS 459           HD1      HIS 459  23.805  16.199   2.755
  773    HD2  HIS 459           HD2      HIS 459  20.353  17.840   4.401
  774    HE1  HIS 459           HE1      HIS 459  24.497  17.149   4.981
  775    HE2  HIS 459           HE2      HIS 459  22.407  18.191   5.941
  776    H    GLY 460           H        GLY 460  17.947  16.225   1.404
  777    HA2  GLY 460           HA2      GLY 460  16.682  16.167  -0.517
  778    HA3  GLY 460           HA1      GLY 460  18.072  15.487  -1.348
  779    H    VAL 461           H        VAL 461  16.094  14.409  -2.362
  780    HA   VAL 461           HA       VAL 461  15.563  11.888  -0.925
  781    HB   VAL 461           HB       VAL 461  13.476  11.705  -2.276
  782   HG11  VAL 461          1HG1      VAL 461  13.676  14.149  -0.522
  783   HG12  VAL 461          2HG1      VAL 461  13.405  12.494   0.022
  784   HG13  VAL 461          3HG1      VAL 461  12.187  13.309  -0.957
  785   HG21  VAL 461          3HG2      VAL 461  12.578  13.691  -3.376
  786   HG22  VAL 461          1HG2      VAL 461  14.106  13.203  -4.109
  787   HG23  VAL 461          2HG2      VAL 461  14.058  14.578  -3.005
  788    H    GLY 462           H        GLY 462  14.483  10.422  -2.982
  789    HA2  GLY 462           HA2      GLY 462  15.135   9.890  -5.336
  790    HA3  GLY 462           HA1      GLY 462  16.789  10.214  -4.833
  791    H    THR 463           H        THR 463  15.413   8.854  -2.243
  792    HA   THR 463           HA       THR 463  16.607   6.272  -2.788
  793    HB   THR 463           HB       THR 463  15.851   5.869  -0.347
  794    HG1  THR 463           HG1      THR 463  14.508   7.474   0.186
  795   HG21  THR 463          3HG2      THR 463  17.846   8.056  -0.952
  796   HG22  THR 463          1HG2      THR 463  18.170   6.323  -1.024
  797   HG23  THR 463          2HG2      THR 463  17.785   7.084   0.520
  798    H    GLU 464           H        GLU 464  13.540   7.728  -2.919
  799    HA   GLU 464           HA       GLU 464  11.831   5.622  -2.261
  800    HB2  GLU 464           HB2      GLU 464  11.423   7.726  -4.399
  801    HB3  GLU 464           HB1      GLU 464  10.161   6.748  -3.664
  802    HG2  GLU 464           HG2      GLU 464   9.903   8.601  -2.407
  803    HG3  GLU 464           HG1      GLU 464  11.168   7.835  -1.451
  804    H    SER 465           H        SER 465  13.404   6.405  -5.335
  805    HA   SER 465           HA       SER 465  12.187   4.397  -6.875
  806    HB2  SER 465           HB2      SER 465  14.931   5.609  -7.273
  807    HB3  SER 465           HB1      SER 465  13.923   4.844  -8.505
  808    HG   SER 465           HG       SER 465  13.949   7.380  -7.862
  809    H    LEU 466           H        LEU 466  14.990   4.375  -4.772
  810    HA   LEU 466           HA       LEU 466  16.031   1.859  -5.530
  811    HB2  LEU 466           HB2      LEU 466  17.274   3.543  -4.211
  812    HB3  LEU 466           HB1      LEU 466  16.191   3.274  -2.860
  813    HG   LEU 466           HG       LEU 466  16.997   0.937  -2.710
  814   HD11  LEU 466          1HD1      LEU 466  17.671   0.591  -5.008
  815   HD12  LEU 466          2HD1      LEU 466  19.041   0.322  -3.930
  816   HD13  LEU 466          3HD1      LEU 466  18.924   1.821  -4.850
  817   HD21  LEU 466          3HD2      LEU 466  19.167   1.482  -1.761
  818   HD22  LEU 466          1HD2      LEU 466  17.978   2.715  -1.344
  819   HD23  LEU 466          2HD2      LEU 466  19.167   3.028  -2.609
  820    H    PHE 467           H        PHE 467  13.780   2.871  -2.994
  821    HA   PHE 467           HA       PHE 467  13.126   0.415  -1.892
  822    HB2  PHE 467           HB2      PHE 467  12.295   2.436  -0.914
  823    HB3  PHE 467           HB1      PHE 467  11.455   2.880  -2.394
  824    HD1  PHE 467           HD2      PHE 467  11.504   0.219   0.221
  825    HD2  PHE 467           HD1      PHE 467   9.214   2.447  -2.589
  826    HE1  PHE 467           HE2      PHE 467   9.448  -0.823   1.075
  827    HE2  PHE 467           HE1      PHE 467   7.152   1.409  -1.738
  828    HZ   PHE 467           HZ       PHE 467   7.268  -0.229   0.096
  829    H    PHE 468           H        PHE 468  11.674   2.011  -4.727
  830    HA   PHE 468           HA       PHE 468   9.778  -0.025  -5.196
  831    HB2  PHE 468           HB2      PHE 468  10.866   2.094  -7.051
  832    HB3  PHE 468           HB1      PHE 468   9.500   1.046  -7.431
  833    HD1  PHE 468           HD2      PHE 468   7.904   0.939  -5.099
  834    HD2  PHE 468           HD1      PHE 468  10.131   4.232  -6.617
  835    HE1  PHE 468           HE2      PHE 468   6.393   2.495  -3.936
  836    HE2  PHE 468           HE1      PHE 468   8.626   5.787  -5.453
  837    HZ   PHE 468           HZ       PHE 468   6.754   4.920  -4.111
  838    H    ASP 469           H        ASP 469  13.091   0.411  -6.329
  839    HA   ASP 469           HA       ASP 469  13.123  -1.645  -8.247
  840    HB2  ASP 469           HB2      ASP 469  15.008  -0.093  -8.002
  841    HB3  ASP 469           HB1      ASP 469  15.352  -0.739  -6.400
  842    H    LYS 470           H        LYS 470  13.784  -1.687  -4.768
  843    HA   LYS 470           HA       LYS 470  14.233  -4.443  -4.499
  844    HB2  LYS 470           HB2      LYS 470  13.095  -2.452  -2.531
  845    HB3  LYS 470           HB1      LYS 470  13.574  -4.090  -2.111
  846    HG2  LYS 470           HG2      LYS 470  15.863  -3.624  -2.621
  847    HG3  LYS 470           HG1      LYS 470  15.442  -2.039  -3.277
  848    HD2  LYS 470           HD2      LYS 470  14.726  -1.285  -1.089
  849    HD3  LYS 470           HD1      LYS 470  15.009  -2.888  -0.412
  850    HE2  LYS 470           HE2      LYS 470  17.171  -1.224  -1.686
  851    HE3  LYS 470           HE1      LYS 470  16.800  -1.172   0.037
  852    HZ1  LYS 470           HZ1      LYS 470  17.571  -3.633  -1.437
  853    HZ2  LYS 470           HZ2      LYS 470  17.358  -3.479   0.239
  854    HZ3  LYS 470           HZ3      LYS 470  18.641  -2.684  -0.531
  855    H    VAL 471           H        VAL 471  11.230  -2.560  -4.141
  856    HA   VAL 471           HA       VAL 471   9.544  -4.686  -3.439
  857    HB   VAL 471           HB       VAL 471   8.851  -2.152  -4.938
  858   HG11  VAL 471          1HG1      VAL 471   7.052  -4.097  -3.493
  859   HG12  VAL 471          2HG1      VAL 471   7.101  -3.809  -5.234
  860   HG13  VAL 471          3HG1      VAL 471   6.555  -2.535  -4.142
  861   HG21  VAL 471          3HG2      VAL 471   8.147  -1.324  -2.740
  862   HG22  VAL 471          1HG2      VAL 471   9.863  -1.727  -2.768
  863   HG23  VAL 471          2HG2      VAL 471   8.713  -2.822  -2.001
  864    H    ARG 472           H        ARG 472  10.170  -3.257  -6.629
  865    HA   ARG 472           HA       ARG 472   8.387  -4.826  -8.108
  866    HB2  ARG 472           HB2      ARG 472   9.889  -2.724  -8.697
  867    HB3  ARG 472           HB1      ARG 472  10.980  -3.951  -9.304
  868    HG2  ARG 472           HG2      ARG 472   9.127  -4.773 -10.726
  869    HG3  ARG 472           HG1      ARG 472   8.168  -3.394 -10.196
  870    HD2  ARG 472           HD2      ARG 472  10.191  -1.990 -10.958
  871    HD3  ARG 472           HD1      ARG 472  10.669  -3.436 -11.844
  872    HE   ARG 472           HE       ARG 472   8.017  -2.235 -12.265
  873   HH11  ARG 472          1HH1      ARG 472  11.106  -3.339 -13.511
  874   HH12  ARG 472          2HH1      ARG 472  10.722  -2.928 -15.158
  875   HH21  ARG 472          1HH2      ARG 472   7.522  -1.677 -14.402
  876   HH22  ARG 472          2HH2      ARG 472   8.679  -1.992 -15.672
  877    H    LYS 473           H        LYS 473  11.755  -5.324  -7.226
  878    HA   LYS 473           HA       LYS 473  12.109  -7.639  -8.870
  879    HB2  LYS 473           HB2      LYS 473  13.817  -5.879  -7.882
  880    HB3  LYS 473           HB1      LYS 473  13.876  -7.020  -6.548
  881    HG2  LYS 473           HG2      LYS 473  14.658  -8.763  -7.991
  882    HG3  LYS 473           HG1      LYS 473  14.425  -7.747  -9.417
  883    HD2  LYS 473           HD2      LYS 473  16.405  -7.339  -7.177
  884    HD3  LYS 473           HD1      LYS 473  16.758  -7.719  -8.865
  885    HE2  LYS 473           HE2      LYS 473  15.864  -5.572  -9.560
  886    HE3  LYS 473           HE1      LYS 473  15.413  -5.196  -7.900
  887    HZ1  LYS 473           HZ1      LYS 473  17.397  -4.082  -8.180
  888    HZ2  LYS 473           HZ2      LYS 473  18.096  -5.318  -9.110
  889    HZ3  LYS 473           HZ3      LYS 473  17.908  -5.522  -7.436
  890    H    ALA 474           H        ALA 474  11.268  -7.049  -5.521
  891    HA   ALA 474           HA       ALA 474  11.672  -9.778  -4.704
  892    HB1  ALA 474           HB1      ALA 474  10.299  -7.528  -3.242
  893    HB2  ALA 474           HB2      ALA 474  12.020  -7.907  -3.154
  894    HB3  ALA 474           HB3      ALA 474  10.829  -9.059  -2.547
  895    H    LEU 475           H        LEU 475   8.872  -7.736  -5.461
  896    HA   LEU 475           HA       LEU 475   6.940  -9.662  -4.711
  897    HB2  LEU 475           HB2      LEU 475   6.905  -7.117  -6.228
  898    HB3  LEU 475           HB1      LEU 475   5.573  -8.219  -6.518
  899    HG   LEU 475           HG       LEU 475   5.030  -8.206  -4.117
  900   HD11  LEU 475          1HD1      LEU 475   7.246  -7.805  -3.212
  901   HD12  LEU 475          2HD1      LEU 475   6.103  -6.596  -2.623
  902   HD13  LEU 475          3HD1      LEU 475   7.251  -6.180  -3.896
  903   HD21  LEU 475          3HD2      LEU 475   3.940  -6.602  -5.603
  904   HD22  LEU 475          1HD2      LEU 475   5.238  -5.443  -5.317
  905   HD23  LEU 475          2HD2      LEU 475   4.177  -5.922  -3.993
  906    H    ARG 476           H        ARG 476   8.464  -8.881  -7.810
  907    HA   ARG 476           HA       ARG 476   8.884 -10.148  -9.647
  908    HB2  ARG 476           HB2      ARG 476   9.431 -11.949  -8.080
  909    HB3  ARG 476           HB1      ARG 476   7.742 -12.419  -8.010
  910    HG2  ARG 476           HG2      ARG 476   7.833 -12.972 -10.419
  911    HG3  ARG 476           HG1      ARG 476   9.558 -12.589 -10.404
  912    HD2  ARG 476           HD2      ARG 476   9.927 -14.309  -8.708
  913    HD3  ARG 476           HD1      ARG 476   8.208 -14.694  -8.722
  914    HE   ARG 476           HE       ARG 476   9.850 -15.005 -11.154
  915   HH11  ARG 476          1HH1      ARG 476   7.723 -16.329  -8.696
  916   HH12  ARG 476          2HH1      ARG 476   7.537 -17.863  -9.497
  917   HH21  ARG 476          1HH2      ARG 476   9.641 -17.041 -12.189
  918   HH22  ARG 476          2HH2      ARG 476   8.675 -18.290 -11.452
  919    H    SER 477           H        SER 477   5.794 -11.199  -8.255
  920    HA   SER 477           HA       SER 477   4.514 -11.680 -10.724
  921    HB2  SER 477           HB2      SER 477   3.692 -12.756  -8.747
  922    HB3  SER 477           HB1      SER 477   3.458 -11.213  -7.928
  923    HG   SER 477           HG       SER 477   1.727 -12.557  -9.421
  924    H    ALA 478           H        ALA 478   3.528 -10.379 -12.098
  925    HA   ALA 478           HA       ALA 478   3.747  -7.566 -11.866
  926    HB1  ALA 478           HB1      ALA 478   2.550  -7.477 -13.974
  927    HB2  ALA 478           HB2      ALA 478   2.064  -9.162 -13.796
  928    HB3  ALA 478           HB3      ALA 478   3.765  -8.755 -14.019
  929    H    GLU 479           H        GLU 479   1.043  -9.820 -11.443
  930    HA   GLU 479           HA       GLU 479  -0.931  -7.804 -11.074
  931    HB2  GLU 479           HB2      GLU 479  -1.162 -10.370 -11.596
  932    HB3  GLU 479           HB1      GLU 479  -1.181 -10.527  -9.846
  933    HG2  GLU 479           HG2      GLU 479  -2.997  -8.483 -10.874
  934    HG3  GLU 479           HG1      GLU 479  -3.361 -10.112 -11.432
  935    H    ALA 480           H        ALA 480   1.322  -9.432  -8.956
  936    HA   ALA 480           HA       ALA 480   0.174  -8.521  -6.509
  937    HB1  ALA 480           HB1      ALA 480   1.680 -10.457  -6.612
  938    HB2  ALA 480           HB2      ALA 480   2.244  -9.236  -5.471
  939    HB3  ALA 480           HB3      ALA 480   3.010  -9.385  -7.053
  940    H    TYR 481           H        TYR 481   2.829  -7.354  -8.571
  941    HA   TYR 481           HA       TYR 481   3.445  -5.095  -6.978
  942    HB2  TYR 481           HB2      TYR 481   4.948  -5.981  -8.748
  943    HB3  TYR 481           HB1      TYR 481   3.805  -5.423  -9.967
  944    HD1  TYR 481           HD1      TYR 481   5.932  -4.189  -7.166
  945    HD2  TYR 481           HD2      TYR 481   3.983  -3.265 -10.832
  946    HE1  TYR 481           HE1      TYR 481   7.026  -1.986  -7.185
  947    HE2  TYR 481           HE2      TYR 481   5.064  -1.060 -10.861
  948    HH   TYR 481           HH       TYR 481   6.079   0.519  -9.307
  949    H    GLU 482           H        GLU 482   1.247  -5.624  -9.674
  950    HA   GLU 482           HA       GLU 482   0.230  -3.031  -9.935
  951    HB2  GLU 482           HB2      GLU 482  -0.208  -4.912 -11.499
  952    HB3  GLU 482           HB1      GLU 482  -1.237  -5.653 -10.281
  953    HG2  GLU 482           HG2      GLU 482  -2.687  -3.647 -10.365
  954    HG3  GLU 482           HG1      GLU 482  -1.698  -3.042 -11.695
  955    H    ASN 483           H        ASN 483  -0.739  -5.724  -7.868
  956    HA   ASN 483           HA       ASN 483  -2.956  -4.633  -6.608
  957    HB2  ASN 483           HB2      ASN 483  -2.146  -6.981  -6.382
  958    HB3  ASN 483           HB1      ASN 483  -0.849  -6.402  -5.343
  959   HD21  ASN 483          1HD2      ASN 483  -1.320  -5.751  -3.252
  960   HD22  ASN 483          2HD2      ASN 483  -2.834  -6.103  -2.501
  961    H    PHE 484           H        PHE 484   0.460  -4.381  -5.714
  962    HA   PHE 484           HA       PHE 484   0.219  -2.772  -3.448
  963    HB2  PHE 484           HB2      PHE 484   2.332  -3.758  -3.965
  964    HB3  PHE 484           HB1      PHE 484   2.373  -3.005  -5.552
  965    HD1  PHE 484           HD1      PHE 484   2.268  -2.073  -1.940
  966    HD2  PHE 484           HD2      PHE 484   3.672  -1.138  -5.849
  967    HE1  PHE 484           HE1      PHE 484   3.602  -0.224  -1.016
  968    HE2  PHE 484           HE2      PHE 484   5.005   0.716  -4.931
  969    HZ   PHE 484           HZ       PHE 484   4.972   1.174  -2.509
  970    H    LEU 485           H        LEU 485   0.588  -1.860  -6.849
  971    HA   LEU 485           HA       LEU 485   0.556   0.922  -6.444
  972    HB2  LEU 485           HB2      LEU 485  -0.279  -0.647  -8.879
  973    HB3  LEU 485           HB1      LEU 485   0.088   1.067  -8.842
  974    HG   LEU 485           HG       LEU 485   2.055  -1.146  -8.257
  975   HD11  LEU 485          1HD1      LEU 485   3.073  -0.470 -10.382
  976   HD12  LEU 485          2HD1      LEU 485   1.726   0.634 -10.660
  977   HD13  LEU 485          3HD1      LEU 485   1.441  -1.104 -10.593
  978   HD21  LEU 485          3HD2      LEU 485   3.728   0.627  -8.295
  979   HD22  LEU 485          1HD2      LEU 485   2.541   0.904  -7.022
  980   HD23  LEU 485          2HD2      LEU 485   2.459   1.831  -8.519
  981    H    ARG 486           H        ARG 486  -2.035  -1.424  -6.881
  982    HA   ARG 486           HA       ARG 486  -4.108   0.456  -7.235
  983    HB2  ARG 486           HB2      ARG 486  -4.271  -2.302  -6.029
  984    HB3  ARG 486           HB1      ARG 486  -5.639  -1.343  -6.576
  985    HG2  ARG 486           HG2      ARG 486  -4.584  -1.353  -8.860
  986    HG3  ARG 486           HG1      ARG 486  -3.455  -2.560  -8.235
  987    HD2  ARG 486           HD2      ARG 486  -5.808  -3.593  -7.415
  988    HD3  ARG 486           HD1      ARG 486  -6.305  -2.788  -8.902
  989    HE   ARG 486           HE       ARG 486  -4.680  -4.141 -10.084
  990   HH11  ARG 486          1HH1      ARG 486  -5.547  -5.118  -6.832
  991   HH12  ARG 486          2HH1      ARG 486  -4.998  -6.756  -7.040
  992   HH21  ARG 486          1HH2      ARG 486  -3.965  -6.274 -10.377
  993   HH22  ARG 486          2HH2      ARG 486  -4.074  -7.422  -9.060
  994    H    CYS 487           H        CYS 487  -2.693  -1.032  -4.347
  995    HA   CYS 487           HA       CYS 487  -4.372   0.183  -2.456
  996    HB2  CYS 487           HB2      CYS 487  -1.426  -0.442  -2.148
  997    HB3  CYS 487           HB1      CYS 487  -2.602  -0.256  -0.851
  998    HG   CYS 487           HG       CYS 487  -2.637  -2.769  -3.177
  999    H    LEU 488           H        LEU 488  -1.580   1.346  -4.241
 1000    HA   LEU 488           HA       LEU 488  -1.171   3.717  -2.751
 1001    HB2  LEU 488           HB2      LEU 488  -0.486   3.178  -5.636
 1002    HB3  LEU 488           HB1      LEU 488   0.178   4.450  -4.636
 1003    HG   LEU 488           HG       LEU 488   0.663   1.492  -4.397
 1004   HD11  LEU 488          1HD1      LEU 488   2.484   3.844  -4.887
 1005   HD12  LEU 488          2HD1      LEU 488   1.990   2.634  -6.076
 1006   HD13  LEU 488          3HD1      LEU 488   2.999   2.165  -4.707
 1007   HD21  LEU 488          3HD2      LEU 488   2.060   1.998  -2.459
 1008   HD22  LEU 488          1HD2      LEU 488   0.368   2.400  -2.157
 1009   HD23  LEU 488          2HD2      LEU 488   1.528   3.679  -2.515
 1010    H    VAL 489           H        VAL 489  -2.978   3.079  -5.774
 1011    HA   VAL 489           HA       VAL 489  -3.695   5.782  -6.175
 1012    HB   VAL 489           HB       VAL 489  -5.512   4.919  -7.674
 1013   HG11  VAL 489          1HG1      VAL 489  -3.307   5.454  -8.540
 1014   HG12  VAL 489          2HG1      VAL 489  -3.958   4.037  -9.365
 1015   HG13  VAL 489          3HG1      VAL 489  -2.728   3.843  -8.116
 1016   HG21  VAL 489          3HG2      VAL 489  -4.404   2.262  -6.801
 1017   HG22  VAL 489          1HG2      VAL 489  -5.374   2.482  -8.261
 1018   HG23  VAL 489          2HG2      VAL 489  -6.068   2.831  -6.677
 1019    H    ILE 490           H        ILE 490  -5.422   3.136  -4.519
 1020    HA   ILE 490           HA       ILE 490  -7.706   4.752  -4.014
 1021    HB   ILE 490           HB       ILE 490  -8.397   3.059  -2.384
 1022   HG12  ILE 490          2HG1      ILE 490  -5.721   1.780  -2.985
 1023   HG13  ILE 490          1HG1      ILE 490  -6.236   2.443  -1.437
 1024   HG21  ILE 490          1HG2      ILE 490  -7.365   1.949  -4.986
 1025   HG22  ILE 490          2HG2      ILE 490  -8.925   2.726  -4.714
 1026   HG23  ILE 490          3HG2      ILE 490  -8.566   1.176  -3.954
 1027   HD11  ILE 490          3HD1      ILE 490  -7.400   0.046  -2.839
 1028   HD12  ILE 490          1HD1      ILE 490  -8.013   0.737  -1.333
 1029   HD13  ILE 490          2HD1      ILE 490  -6.389   0.044  -1.393
 1030    H    PHE 491           H        PHE 491  -4.680   4.248  -2.310
 1031    HA   PHE 491           HA       PHE 491  -5.362   5.641   0.050
 1032    HB2  PHE 491           HB2      PHE 491  -3.331   4.330  -0.032
 1033    HB3  PHE 491           HB1      PHE 491  -2.706   5.299  -1.360
 1034    HD1  PHE 491           HD2      PHE 491  -3.566   5.364   2.236
 1035    HD2  PHE 491           HD1      PHE 491  -1.522   7.290  -0.963
 1036    HE1  PHE 491           HE2      PHE 491  -2.444   6.848   3.850
 1037    HE2  PHE 491           HE1      PHE 491  -0.400   8.775   0.643
 1038    HZ   PHE 491           HZ       PHE 491  -0.860   8.559   3.050
 1039    H    ASN 492           H        ASN 492  -4.096   6.666  -3.069
 1040    HA   ASN 492           HA       ASN 492  -3.729   9.399  -2.410
 1041    HB2  ASN 492           HB2      ASN 492  -2.551   8.488  -4.291
 1042    HB3  ASN 492           HB1      ASN 492  -4.050   7.981  -5.057
 1043   HD21  ASN 492          1HD2      ASN 492  -2.024  10.720  -4.243
 1044   HD22  ASN 492          2HD2      ASN 492  -2.734  11.816  -5.379
 1045    H    GLN 493           H        GLN 493  -6.459   7.559  -3.596
 1046    HA   GLN 493           HA       GLN 493  -8.065   9.910  -4.104
 1047    HB2  GLN 493           HB2      GLN 493  -8.792   6.978  -4.053
 1048    HB3  GLN 493           HB1      GLN 493  -9.870   8.272  -4.556
 1049    HG2  GLN 493           HG2      GLN 493  -8.437   8.803  -6.415
 1050    HG3  GLN 493           HG1      GLN 493  -7.245   7.621  -5.877
 1051   HE21  GLN 493          1HE2      GLN 493  -8.686   7.808  -8.396
 1052   HE22  GLN 493          2HE2      GLN 493  -9.526   6.301  -8.580
 1053    H    GLU 494           H        GLU 494  -6.996   8.732  -1.353
 1054    HA   GLU 494           HA       GLU 494  -7.568   8.973   0.825
 1055    HB2  GLU 494           HB2      GLU 494  -9.929  10.517  -0.262
 1056    HB3  GLU 494           HB1      GLU 494  -9.419  10.489   1.421
 1057    HG2  GLU 494           HG2      GLU 494  -7.303  11.527   0.801
 1058    HG3  GLU 494           HG1      GLU 494  -7.805  11.548  -0.890
 1059    H    VAL 495           H        VAL 495  -8.689   6.794  -0.938
 1060    HA   VAL 495           HA       VAL 495 -11.204   6.069   0.237
 1061    HB   VAL 495           HB       VAL 495  -9.259   4.413  -1.386
 1062   HG11  VAL 495          1HG1      VAL 495 -10.667   2.985  -0.020
 1063   HG12  VAL 495          2HG1      VAL 495 -11.141   2.872  -1.715
 1064   HG13  VAL 495          3HG1      VAL 495 -12.109   3.827  -0.591
 1065   HG21  VAL 495          3HG2      VAL 495 -11.786   5.863  -2.182
 1066   HG22  VAL 495          1HG2      VAL 495 -10.879   4.764  -3.222
 1067   HG23  VAL 495          2HG2      VAL 495 -10.140   6.266  -2.670
 1068    H    ILE 496           H        ILE 496  -7.829   5.093   0.650
 1069    HA   ILE 496           HA       ILE 496  -8.597   3.840   3.206
 1070    HB   ILE 496           HB       ILE 496  -6.747   2.302   3.021
 1071   HG12  ILE 496          2HG1      ILE 496  -6.146   3.508   0.312
 1072   HG13  ILE 496          1HG1      ILE 496  -5.228   3.860   1.773
 1073   HG21  ILE 496          1HG2      ILE 496  -8.342   2.343   0.462
 1074   HG22  ILE 496          2HG2      ILE 496  -8.835   1.610   1.989
 1075   HG23  ILE 496          3HG2      ILE 496  -7.458   0.956   1.101
 1076   HD11  ILE 496          3HD1      ILE 496  -4.089   2.216   0.413
 1077   HD12  ILE 496          1HD1      ILE 496  -5.508   1.167   0.458
 1078   HD13  ILE 496          2HD1      ILE 496  -4.608   1.499   1.938
 1079    H    SER 497           H        SER 497  -7.056   4.104   4.957
 1080    HA   SER 497           HA       SER 497  -5.513   6.582   4.637
 1081    HB2  SER 497           HB2      SER 497  -5.645   6.889   6.980
 1082    HB3  SER 497           HB1      SER 497  -7.236   6.294   6.512
 1083    HG   SER 497           HG       SER 497  -6.461   4.160   7.151
 1084    H    ARG 498           H        ARG 498  -3.635   6.378   6.579
 1085    HA   ARG 498           HA       ARG 498  -1.535   5.041   5.349
 1086    HB2  ARG 498           HB2      ARG 498  -1.226   6.866   6.952
 1087    HB3  ARG 498           HB1      ARG 498  -1.816   5.842   8.252
 1088    HG2  ARG 498           HG2      ARG 498   0.145   4.288   7.664
 1089    HG3  ARG 498           HG1      ARG 498   0.773   5.668   6.754
 1090    HD2  ARG 498           HD2      ARG 498   1.696   5.599   9.023
 1091    HD3  ARG 498           HD1      ARG 498   0.717   7.044   8.765
 1092    HE   ARG 498           HE       ARG 498  -0.923   5.052   9.839
 1093   HH11  ARG 498          1HH1      ARG 498   1.797   7.039  10.885
 1094   HH12  ARG 498          2HH1      ARG 498   1.296   7.017  12.552
 1095   HH21  ARG 498          1HH2      ARG 498  -1.549   5.051  11.994
 1096   HH22  ARG 498          2HH2      ARG 498  -0.579   5.885  13.180
 1097    H    ALA 499           H        ALA 499  -3.667   3.965   7.959
 1098    HA   ALA 499           HA       ALA 499  -2.126   1.793   8.835
 1099    HB1  ALA 499           HB1      ALA 499  -3.945   2.744  10.151
 1100    HB2  ALA 499           HB2      ALA 499  -4.157   1.007   9.929
 1101    HB3  ALA 499           HB3      ALA 499  -5.116   2.141   8.977
 1102    H    GLU 500           H        GLU 500  -4.947   1.826   6.651
 1103    HA   GLU 500           HA       GLU 500  -4.915  -0.913   6.073
 1104    HB2  GLU 500           HB2      GLU 500  -5.856   1.319   4.262
 1105    HB3  GLU 500           HB1      GLU 500  -6.309  -0.374   4.145
 1106    HG2  GLU 500           HG2      GLU 500  -8.135   0.430   5.222
 1107    HG3  GLU 500           HG1      GLU 500  -7.130   0.030   6.614
 1108    H    LEU 501           H        LEU 501  -3.304   1.801   4.486
 1109    HA   LEU 501           HA       LEU 501  -2.333   0.446   2.239
 1110    HB2  LEU 501           HB2      LEU 501  -2.284   2.888   2.501
 1111    HB3  LEU 501           HB1      LEU 501  -1.074   2.734   3.758
 1112    HG   LEU 501           HG       LEU 501   0.499   1.781   2.097
 1113   HD11  LEU 501          1HD1      LEU 501  -0.014   1.919  -0.272
 1114   HD12  LEU 501          2HD1      LEU 501  -1.638   2.500   0.098
 1115   HD13  LEU 501          3HD1      LEU 501  -1.163   0.863   0.550
 1116   HD21  LEU 501          3HD2      LEU 501   0.545   4.160   2.616
 1117   HD22  LEU 501          1HD2      LEU 501  -0.662   4.467   1.366
 1118   HD23  LEU 501          2HD2      LEU 501   0.939   3.876   0.920
 1119    H    VAL 502           H        VAL 502  -0.966   0.814   5.472
 1120    HA   VAL 502           HA       VAL 502   1.487  -0.515   4.922
 1121    HB   VAL 502           HB       VAL 502   0.079  -0.105   7.570
 1122   HG11  VAL 502          1HG1      VAL 502   1.754  -1.854   7.735
 1123   HG12  VAL 502          2HG1      VAL 502   2.298  -0.398   8.568
 1124   HG13  VAL 502          3HG1      VAL 502   2.950  -0.800   6.980
 1125   HG21  VAL 502          3HG2      VAL 502   2.199   1.536   6.191
 1126   HG22  VAL 502          1HG2      VAL 502   1.616   1.799   7.834
 1127   HG23  VAL 502          2HG2      VAL 502   0.522   2.005   6.465
 1128    H    GLN 503           H        GLN 503  -1.649  -1.569   6.155
 1129    HA   GLN 503           HA       GLN 503  -0.746  -4.181   6.887
 1130    HB2  GLN 503           HB2      GLN 503  -3.541  -3.106   6.525
 1131    HB3  GLN 503           HB1      GLN 503  -3.149  -4.678   7.204
 1132    HG2  GLN 503           HG2      GLN 503  -1.945  -3.568   9.029
 1133    HG3  GLN 503           HG1      GLN 503  -2.410  -2.002   8.360
 1134   HE21  GLN 503          1HE2      GLN 503  -3.610  -1.405  10.149
 1135   HE22  GLN 503          2HE2      GLN 503  -5.116  -2.151  10.557
 1136    H    LEU 504           H        LEU 504  -2.486  -2.860   4.099
 1137    HA   LEU 504           HA       LEU 504  -3.282  -5.305   2.976
 1138    HB2  LEU 504           HB2      LEU 504  -2.724  -2.642   1.684
 1139    HB3  LEU 504           HB1      LEU 504  -3.411  -4.006   0.825
 1140    HG   LEU 504           HG       LEU 504  -4.674  -2.671   3.220
 1141   HD11  LEU 504          1HD1      LEU 504  -4.649  -1.194   1.285
 1142   HD12  LEU 504          2HD1      LEU 504  -6.282  -1.780   1.607
 1143   HD13  LEU 504          3HD1      LEU 504  -5.341  -2.472   0.285
 1144   HD21  LEU 504          3HD2      LEU 504  -5.613  -4.838   1.351
 1145   HD22  LEU 504          1HD2      LEU 504  -6.656  -3.988   2.494
 1146   HD23  LEU 504          2HD2      LEU 504  -5.319  -4.975   3.089
 1147    H    VAL 505           H        VAL 505  -0.307  -3.487   2.653
 1148    HA   VAL 505           HA       VAL 505   0.668  -5.353   0.638
 1149    HB   VAL 505           HB       VAL 505   1.007  -2.825   0.552
 1150   HG11  VAL 505          1HG1      VAL 505   1.697  -2.465   2.838
 1151   HG12  VAL 505          2HG1      VAL 505   2.967  -1.951   1.728
 1152   HG13  VAL 505          3HG1      VAL 505   3.118  -3.481   2.593
 1153   HG21  VAL 505          3HG2      VAL 505   2.163  -4.372  -0.933
 1154   HG22  VAL 505          1HG2      VAL 505   3.425  -4.603   0.278
 1155   HG23  VAL 505          2HG2      VAL 505   3.209  -3.026  -0.480
 1156    H    SER 506           H        SER 506   0.362  -5.597   3.820
 1157    HA   SER 506           HA       SER 506   2.904  -6.188   4.831
 1158    HB2  SER 506           HB2      SER 506   0.933  -5.888   6.270
 1159    HB3  SER 506           HB1      SER 506   0.249  -7.391   5.656
 1160    HG   SER 506           HG       SER 506   1.885  -8.539   6.636
 1161    HA   PRO 507           HA       PRO 507   2.162 -10.822   3.522
 1162    HB2  PRO 507           HB2      PRO 507   0.299 -10.551   1.251
 1163    HB3  PRO 507           HB1      PRO 507   0.301 -11.723   2.572
 1164    HG2  PRO 507           HG2      PRO 507  -1.527  -9.777   2.452
 1165    HG3  PRO 507           HG1      PRO 507  -0.849 -10.309   4.002
 1166    HD2  PRO 507           HD2      PRO 507  -0.166  -7.894   2.364
 1167    HD3  PRO 507           HD1      PRO 507  -0.390  -8.035   4.122
 1168    H    PHE 508           H        PHE 508   2.745  -8.050   1.783
 1169    HA   PHE 508           HA       PHE 508   4.127  -9.490  -0.375
 1170    HB2  PHE 508           HB2      PHE 508   3.270  -6.592  -0.247
 1171    HB3  PHE 508           HB1      PHE 508   4.109  -7.342  -1.596
 1172    HD1  PHE 508           HD1      PHE 508   0.933  -7.229   0.272
 1173    HD2  PHE 508           HD2      PHE 508   2.950  -8.651  -3.195
 1174    HE1  PHE 508           HE1      PHE 508  -1.225  -7.856  -0.719
 1175    HE2  PHE 508           HE2      PHE 508   0.790  -9.283  -4.192
 1176    HZ   PHE 508           HZ       PHE 508  -1.299  -8.887  -2.955
 1177    H    LEU 509           H        LEU 509   4.517  -6.507   1.564
 1178    HA   LEU 509           HA       LEU 509   7.390  -6.609   1.106
 1179    HB2  LEU 509           HB2      LEU 509   5.781  -4.558   2.626
 1180    HB3  LEU 509           HB1      LEU 509   7.450  -4.402   2.113
 1181    HG   LEU 509           HG       LEU 509   5.007  -4.450   0.345
 1182   HD11  LEU 509          1HD1      LEU 509   7.057  -2.321   0.928
 1183   HD12  LEU 509          2HD1      LEU 509   5.375  -2.334   1.464
 1184   HD13  LEU 509          3HD1      LEU 509   5.754  -2.192  -0.253
 1185   HD21  LEU 509          3HD2      LEU 509   7.916  -4.327  -0.436
 1186   HD22  LEU 509          1HD2      LEU 509   6.545  -4.115  -1.525
 1187   HD23  LEU 509          2HD2      LEU 509   6.814  -5.669  -0.738
 1188    H    GLY 510           H        GLY 510   5.126  -7.439   3.547
 1189    HA2  GLY 510           HA2      GLY 510   6.793  -7.064   5.828
 1190    HA3  GLY 510           HA1      GLY 510   5.327  -8.031   5.763
 1191    H    LYS 511           H        LYS 511   6.863  -9.340   3.345
 1192    HA   LYS 511           HA       LYS 511   7.994 -11.504   4.874
 1193    HB2  LYS 511           HB2      LYS 511   8.077 -11.046   1.883
 1194    HB3  LYS 511           HB1      LYS 511   8.377 -12.560   2.722
 1195    HG2  LYS 511           HG2      LYS 511   6.056 -12.632   3.454
 1196    HG3  LYS 511           HG1      LYS 511   5.748 -11.095   2.644
 1197    HD2  LYS 511           HD2      LYS 511   4.977 -12.866   1.226
 1198    HD3  LYS 511           HD1      LYS 511   6.420 -12.162   0.497
 1199    HE2  LYS 511           HE2      LYS 511   6.536 -14.563   0.328
 1200    HE3  LYS 511           HE1      LYS 511   7.760 -14.004   1.468
 1201    HZ1  LYS 511           HZ1      LYS 511   6.600 -15.962   2.290
 1202    HZ2  LYS 511           HZ2      LYS 511   5.113 -15.148   2.198
 1203    HZ3  LYS 511           HZ3      LYS 511   6.297 -14.625   3.292
 1204    H    PHE 512           H        PHE 512   9.059  -8.527   3.764
 1205    HA   PHE 512           HA       PHE 512  11.873  -9.381   3.916
 1206    HB2  PHE 512           HB2      PHE 512  10.783  -7.168   2.163
 1207    HB3  PHE 512           HB1      PHE 512  12.450  -7.729   2.233
 1208    HD1  PHE 512           HD1      PHE 512  13.046  -9.947   1.325
 1209    HD2  PHE 512           HD2      PHE 512   9.140  -8.312   0.881
 1210    HE1  PHE 512           HE1      PHE 512  12.569 -11.574  -0.457
 1211    HE2  PHE 512           HE2      PHE 512   8.658  -9.936  -0.901
 1212    HZ   PHE 512           HZ       PHE 512  10.376 -11.571  -1.571
 1213    HA   PRO 513           HA       PRO 513  11.384  -6.827   7.590
 1214    HB2  PRO 513           HB2      PRO 513  14.340  -7.210   7.528
 1215    HB3  PRO 513           HB1      PRO 513  13.207  -7.411   8.866
 1216    HG2  PRO 513           HG2      PRO 513  14.189  -9.532   7.600
 1217    HG3  PRO 513           HG1      PRO 513  12.495  -9.492   8.127
 1218    HD2  PRO 513           HD2      PRO 513  13.642  -9.173   5.392
 1219    HD3  PRO 513           HD1      PRO 513  12.116  -9.923   5.898
 1220    H    GLU 514           H        GLU 514  14.165  -6.240   5.408
 1221    HA   GLU 514           HA       GLU 514  14.533  -3.552   6.248
 1222    HB2  GLU 514           HB2      GLU 514  16.364  -4.747   5.233
 1223    HB3  GLU 514           HB1      GLU 514  15.436  -5.021   3.766
 1224    HG2  GLU 514           HG2      GLU 514  15.405  -2.554   3.413
 1225    HG3  GLU 514           HG1      GLU 514  16.501  -2.399   4.784
 1226    H    LEU 515           H        LEU 515  12.801  -5.050   3.592
 1227    HA   LEU 515           HA       LEU 515  12.257  -2.678   2.153
 1228    HB2  LEU 515           HB2      LEU 515  12.221  -5.039   1.286
 1229    HB3  LEU 515           HB1      LEU 515  10.700  -5.259   2.124
 1230    HG   LEU 515           HG       LEU 515   9.639  -3.582   0.725
 1231   HD11  LEU 515          1HD1      LEU 515  11.555  -2.111   0.395
 1232   HD12  LEU 515          2HD1      LEU 515  10.849  -2.580  -1.152
 1233   HD13  LEU 515          3HD1      LEU 515  12.339  -3.340  -0.596
 1234   HD21  LEU 515          3HD2      LEU 515   9.738  -4.775  -1.400
 1235   HD22  LEU 515          1HD2      LEU 515   9.692  -5.903  -0.044
 1236   HD23  LEU 515          2HD2      LEU 515  11.213  -5.590  -0.881
 1237    H    PHE 516           H        PHE 516  10.350  -4.593   4.453
 1238    HA   PHE 516           HA       PHE 516   8.055  -2.940   4.362
 1239    HB2  PHE 516           HB2      PHE 516   8.220  -5.331   5.226
 1240    HB3  PHE 516           HB1      PHE 516   8.907  -4.652   6.697
 1241    HD1  PHE 516           HD1      PHE 516   5.969  -4.012   4.477
 1242    HD2  PHE 516           HD2      PHE 516   7.454  -4.404   8.445
 1243    HE1  PHE 516           HE1      PHE 516   3.699  -3.666   5.354
 1244    HE2  PHE 516           HE2      PHE 516   5.183  -4.056   9.330
 1245    HZ   PHE 516           HZ       PHE 516   3.303  -3.689   7.785
 1246    H    ASN 517           H        ASN 517  11.010  -2.871   6.243
 1247    HA   ASN 517           HA       ASN 517  10.252  -0.949   8.164
 1248    HB2  ASN 517           HB2      ASN 517  12.288  -2.317   8.370
 1249    HB3  ASN 517           HB1      ASN 517  12.985  -1.495   6.978
 1250   HD21  ASN 517          1HD2      ASN 517  14.732  -0.690   8.091
 1251   HD22  ASN 517          2HD2      ASN 517  14.597   0.548   9.288
 1252    H    TRP 518           H        TRP 518  11.850  -0.629   5.007
 1253    HA   TRP 518           HA       TRP 518  12.206   2.141   4.977
 1254    HB2  TRP 518           HB2      TRP 518  13.029   0.337   3.318
 1255    HB3  TRP 518           HB1      TRP 518  11.468   0.526   2.533
 1256    HD1  TRP 518           HD1      TRP 518  14.900   1.886   2.541
 1257    HE1  TRP 518           HE1      TRP 518  15.054   3.977   1.054
 1258    HE3  TRP 518           HE3      TRP 518   9.906   2.824   1.898
 1259    HZ2  TRP 518           HZ2      TRP 518  13.310   5.794  -0.201
 1260    HZ3  TRP 518           HZ3      TRP 518   9.243   4.765   0.542
 1261    HH2  TRP 518           HH2      TRP 518  10.910   6.217  -0.484
 1262    H    PHE 519           H        PHE 519   9.507   0.164   3.815
 1263    HA   PHE 519           HA       PHE 519   7.915   2.166   2.757
 1264    HB2  PHE 519           HB2      PHE 519   7.595  -0.283   2.473
 1265    HB3  PHE 519           HB1      PHE 519   7.001  -0.367   4.127
 1266    HD1  PHE 519           HD2      PHE 519   6.352   1.740   1.119
 1267    HD2  PHE 519           HD1      PHE 519   4.742  -0.557   4.315
 1268    HE1  PHE 519           HE2      PHE 519   4.086   2.219   0.314
 1269    HE2  PHE 519           HE1      PHE 519   2.469  -0.080   3.517
 1270    HZ   PHE 519           HZ       PHE 519   2.131   1.310   1.513
 1271    H    LYS 520           H        LYS 520   7.829   0.783   6.046
 1272    HA   LYS 520           HA       LYS 520   5.712   2.398   6.969
 1273    HB2  LYS 520           HB2      LYS 520   7.920   1.024   8.504
 1274    HB3  LYS 520           HB1      LYS 520   6.529   1.793   9.254
 1275    HG2  LYS 520           HG2      LYS 520   5.081   0.236   7.909
 1276    HG3  LYS 520           HG1      LYS 520   6.559  -0.622   7.465
 1277    HD2  LYS 520           HD2      LYS 520   5.603  -0.144  10.287
 1278    HD3  LYS 520           HD1      LYS 520   5.410  -1.649   9.389
 1279    HE2  LYS 520           HE2      LYS 520   7.770  -1.991   9.312
 1280    HE3  LYS 520           HE1      LYS 520   8.084  -0.377   9.949
 1281    HZ1  LYS 520           HZ1      LYS 520   7.261  -0.991  12.052
 1282    HZ2  LYS 520           HZ2      LYS 520   8.284  -2.256  11.580
 1283    HZ3  LYS 520           HZ3      LYS 520   6.600  -2.437  11.472
 1284    H    ASN 521           H        ASN 521   9.200   2.868   6.960
 1285    HA   ASN 521           HA       ASN 521   9.257   5.147   8.624
 1286    HB2  ASN 521           HB2      ASN 521  11.267   3.831   8.074
 1287    HB3  ASN 521           HB1      ASN 521  11.163   4.376   6.404
 1288   HD21  ASN 521          1HD2      ASN 521  11.916   5.264   9.668
 1289   HD22  ASN 521          2HD2      ASN 521  12.714   6.755   9.303
 1290    H    PHE 522           H        PHE 522   9.030   4.770   5.112
 1291    HA   PHE 522           HA       PHE 522   9.109   7.507   4.452
 1292    HB2  PHE 522           HB2      PHE 522   9.463   5.729   2.799
 1293    HB3  PHE 522           HB1      PHE 522   7.796   5.205   2.990
 1294    HD1  PHE 522           HD2      PHE 522   9.736   8.269   2.128
 1295    HD2  PHE 522           HD1      PHE 522   6.250   5.920   1.455
 1296    HE1  PHE 522           HE2      PHE 522   9.056   9.800   0.330
 1297    HE2  PHE 522           HE1      PHE 522   5.564   7.452  -0.346
 1298    HZ   PHE 522           HZ       PHE 522   6.969   9.392  -0.911
 1299    H    LEU 523           H        LEU 523   6.443   5.327   5.208
 1300    HA   LEU 523           HA       LEU 523   4.379   7.199   4.646
 1301    HB2  LEU 523           HB2      LEU 523   4.338   4.719   6.353
 1302    HB3  LEU 523           HB1      LEU 523   2.919   5.625   5.863
 1303    HG   LEU 523           HG       LEU 523   4.802   4.152   4.022
 1304   HD11  LEU 523          1HD1      LEU 523   1.959   3.611   4.838
 1305   HD12  LEU 523          2HD1      LEU 523   3.376   2.695   5.350
 1306   HD13  LEU 523          3HD1      LEU 523   2.890   2.695   3.655
 1307   HD21  LEU 523          3HD2      LEU 523   3.158   4.681   2.286
 1308   HD22  LEU 523          1HD2      LEU 523   3.910   6.135   2.940
 1309   HD23  LEU 523          2HD2      LEU 523   2.277   5.688   3.435
 1310    H    GLY 524           H        GLY 524   6.420   6.652   7.374
 1311    HA2  GLY 524           HA2      GLY 524   6.565   7.920   9.325
 1312    HA3  GLY 524           HA1      GLY 524   5.085   8.757   8.864
 1313    H    TYR 525           H        TYR 525   5.468   5.285   8.952
 1314    HA   TYR 525           HA       TYR 525   3.333   5.119  10.932
 1315    HB2  TYR 525           HB2      TYR 525   3.229   3.713   8.881
 1316    HB3  TYR 525           HB1      TYR 525   4.712   2.909   9.380
 1317    HD1  TYR 525           HD1      TYR 525   4.703   1.328  11.237
 1318    HD2  TYR 525           HD2      TYR 525   1.116   3.233   9.976
 1319    HE1  TYR 525           HE1      TYR 525   3.393  -0.321  12.500
 1320    HE2  TYR 525           HE2      TYR 525  -0.208   1.587  11.238
 1321    HH   TYR 525           HH       TYR 525   1.139  -0.459  13.558
 1322    H    LYS 526           H        LYS 526   4.366   5.750  12.787
 1323    HA   LYS 526           HA       LYS 526   6.719   4.250  13.662
 1324    HB2  LYS 526           HB2      LYS 526   5.339   6.656  14.874
 1325    HB3  LYS 526           HB1      LYS 526   6.825   5.931  15.470
 1326    HG2  LYS 526           HG2      LYS 526   7.959   6.505  13.394
 1327    HG3  LYS 526           HG1      LYS 526   6.464   7.198  12.761
 1328    HD2  LYS 526           HD2      LYS 526   7.950   8.940  13.612
 1329    HD3  LYS 526           HD1      LYS 526   6.463   8.853  14.560
 1330    HE2  LYS 526           HE2      LYS 526   7.624   7.566  16.278
 1331    HE3  LYS 526           HE1      LYS 526   9.108   7.618  15.325
 1332    HZ1  LYS 526           HZ1      LYS 526   9.142  10.015  15.551
 1333    HZ2  LYS 526           HZ2      LYS 526   9.099   9.282  17.080
 1334    HZ3  LYS 526           HZ3      LYS 526   7.698   9.982  16.441
 1335    H    GLU 527           H        GLU 527   4.092   3.045  13.480
 1336    HA   GLU 527           HA       GLU 527   2.743   1.612  14.599
 1337    HB2  GLU 527           HB2      GLU 527   5.019   1.064  15.711
 1338    HB3  GLU 527           HB1      GLU 527   4.407   1.978  17.081
 1339    HG2  GLU 527           HG2      GLU 527   4.034  -0.370  17.430
 1340    HG3  GLU 527           HG1      GLU 527   2.487   0.448  17.217
 1341    H    SER 528           H        SER 528   2.630   4.646  14.809
 1342    HA   SER 528           HA       SER 528   0.463   4.713  16.768
 1343    HB2  SER 528           HB2      SER 528   2.561   6.887  16.537
 1344    HB3  SER 528           HB1      SER 528   1.205   6.843  17.665
 1345    HG   SER 528           HG       SER 528   2.635   4.585  17.889
  Start of MODEL   13
    1    H1   SER 127           HT1      SER 127  29.894   4.520  -2.783
    2    H2   SER 127           HT2      SER 127  30.448   5.906  -1.976
    3    H3   SER 127           HT3      SER 127  28.970   5.201  -1.533
    4    HA   SER 127           HA       SER 127  31.644   3.981  -1.235
    5    HB2  SER 127           HB2      SER 127  30.986   4.152   1.238
    6    HB3  SER 127           HB1      SER 127  31.433   5.654   0.430
    7    HG   SER 127           HG       SER 127  29.233   5.204   1.745
    8    H    ASN 128           H        ASN 128  31.481   1.877  -1.613
    9    HA   ASN 128           HA       ASN 128  28.968   0.499  -1.380
   10    HB2  ASN 128           HB2      ASN 128  30.189  -1.478  -2.145
   11    HB3  ASN 128           HB1      ASN 128  30.532  -0.095  -3.172
   12   HD21  ASN 128          1HD2      ASN 128  32.011  -2.569  -2.711
   13   HD22  ASN 128          2HD2      ASN 128  33.601  -2.084  -2.217
   14    H    ALA 129           H        ALA 129  28.241  -0.695   0.247
   15    HA   ALA 129           HA       ALA 129  29.978  -1.792   2.265
   16    HB1  ALA 129           HB1      ALA 129  29.782   0.530   3.038
   17    HB2  ALA 129           HB2      ALA 129  29.010  -0.596   4.154
   18    HB3  ALA 129           HB3      ALA 129  28.027   0.372   3.054
   19    H    GLY 130           H        GLY 130  28.999  -3.422   3.420
   20    HA2  GLY 130           HA2      GLY 130  27.196  -4.747   4.151
   21    HA3  GLY 130           HA1      GLY 130  26.124  -3.843   3.090
   22    H    SER 131           H        SER 131  25.245  -5.808   2.327
   23    HA   SER 131           HA       SER 131  26.991  -7.629   0.880
   24    HB2  SER 131           HB2      SER 131  24.755  -8.858   0.561
   25    HB3  SER 131           HB1      SER 131  25.378  -8.743   2.207
   26    HG   SER 131           HG       SER 131  23.181  -8.189   2.173
   27    H    ASP 132           H        ASP 132  26.606  -8.205  -1.329
   28    HA   ASP 132           HA       ASP 132  25.685  -5.956  -2.938
   29    HB2  ASP 132           HB2      ASP 132  27.818  -7.142  -3.478
   30    HB3  ASP 132           HB1      ASP 132  26.881  -8.582  -3.857
   31    H    ASP 133           H        ASP 133  25.138  -9.469  -2.892
   32    HA   ASP 133           HA       ASP 133  22.524  -9.008  -4.140
   33    HB2  ASP 133           HB2      ASP 133  22.561 -11.368  -4.768
   34    HB3  ASP 133           HB1      ASP 133  24.016 -10.560  -5.341
   35    H    ASP 134           H        ASP 134  20.668  -9.719  -3.221
   36    HA   ASP 134           HA       ASP 134  20.859 -10.637  -0.436
   37    HB2  ASP 134           HB2      ASP 134  18.659  -9.698  -0.098
   38    HB3  ASP 134           HB1      ASP 134  19.657  -8.478  -0.881
   39    H    GLY 135           H        GLY 135  19.506 -12.329   0.275
   40    HA2  GLY 135           HA2      GLY 135  17.516 -13.723  -0.617
   41    HA3  GLY 135           HA1      GLY 135  18.656 -14.136  -1.889
   42    H    GLY 136           H        GLY 136  20.989 -14.442  -0.463
   43    HA2  GLY 136           HA2      GLY 136  22.150 -15.968   0.804
   44    HA3  GLY 136           HA1      GLY 136  20.714 -16.121   1.807
   45    H    ASP 137           H        ASP 137  19.331 -17.816   1.500
   46    HA   ASP 137           HA       ASP 137  19.963 -19.684  -0.685
   47    HB2  ASP 137           HB2      ASP 137  20.880 -20.542   1.466
   48    HB3  ASP 137           HB1      ASP 137  19.259 -20.485   2.153
   49    H    SER 138           H        SER 138  18.253 -19.486  -1.978
   50    HA   SER 138           HA       SER 138  15.635 -20.172  -0.952
   51    HB2  SER 138           HB2      SER 138  16.092 -17.538  -2.387
   52    HB3  SER 138           HB1      SER 138  14.522 -18.198  -1.926
   53    HG   SER 138           HG       SER 138  16.153 -18.153   0.210
   54    HA   PRO 139           HA       PRO 139  15.626 -22.053  -4.973
   55    HB2  PRO 139           HB2      PRO 139  12.796 -22.534  -4.809
   56    HB3  PRO 139           HB1      PRO 139  14.115 -23.678  -4.561
   57    HG2  PRO 139           HG2      PRO 139  12.415 -22.797  -2.575
   58    HG3  PRO 139           HG1      PRO 139  14.027 -23.478  -2.299
   59    HD2  PRO 139           HD2      PRO 139  13.142 -20.630  -2.295
   60    HD3  PRO 139           HD1      PRO 139  14.376 -21.435  -1.302
   61    H    VAL 140           H        VAL 140  14.368 -21.950  -7.042
   62    HA   VAL 140           HA       VAL 140  13.958 -19.239  -7.793
   63    HB   VAL 140           HB       VAL 140  13.166 -20.220  -9.973
   64   HG11  VAL 140          1HG1      VAL 140  15.508 -19.624  -9.571
   65   HG12  VAL 140          2HG1      VAL 140  15.370 -21.037 -10.619
   66   HG13  VAL 140          3HG1      VAL 140  15.804 -21.238  -8.922
   67   HG21  VAL 140          3HG2      VAL 140  12.236 -22.303  -9.149
   68   HG22  VAL 140          1HG2      VAL 140  13.826 -22.815  -8.582
   69   HG23  VAL 140          2HG2      VAL 140  13.521 -22.637 -10.311
   70    H    GLN 141           H        GLN 141  12.183 -18.040  -7.767
   71    HA   GLN 141           HA       GLN 141  10.047 -17.341  -7.483
   72    HB2  GLN 141           HB2      GLN 141   9.623 -18.611  -9.522
   73    HB3  GLN 141           HB1      GLN 141   9.382 -20.077  -8.583
   74    HG2  GLN 141           HG2      GLN 141   7.443 -19.004  -7.487
   75    HG3  GLN 141           HG1      GLN 141   7.658 -17.610  -8.546
   76   HE21  GLN 141          1HE2      GLN 141   7.164 -17.801 -10.733
   77   HE22  GLN 141          2HE2      GLN 141   6.235 -19.120 -11.352
   78    H    ASP 142           H        ASP 142  10.060 -17.124  -5.270
   79    HA   ASP 142           HA       ASP 142   9.335 -19.397  -3.612
   80    HB2  ASP 142           HB2      ASP 142   9.795 -18.016  -1.735
   81    HB3  ASP 142           HB1      ASP 142  11.030 -17.629  -2.926
   82    H    ILE 143           H        ILE 143   7.845 -16.767  -5.199
   83    HA   ILE 143           HA       ILE 143   5.252 -17.562  -4.083
   84    HB   ILE 143           HB       ILE 143   4.573 -15.095  -4.417
   85   HG12  ILE 143          2HG1      ILE 143   7.563 -14.784  -4.101
   86   HG13  ILE 143          1HG1      ILE 143   6.617 -14.349  -5.521
   87   HG21  ILE 143          1HG2      ILE 143   6.327 -15.870  -2.100
   88   HG22  ILE 143          2HG2      ILE 143   4.597 -16.184  -2.256
   89   HG23  ILE 143          3HG2      ILE 143   5.185 -14.526  -2.127
   90   HD11  ILE 143          3HD1      ILE 143   7.206 -12.401  -4.196
   91   HD12  ILE 143          1HD1      ILE 143   6.383 -13.093  -2.799
   92   HD13  ILE 143          2HD1      ILE 143   5.460 -12.643  -4.232
   93    H    ASP 144           H        ASP 144   3.734 -17.902  -5.603
   94    HA   ASP 144           HA       ASP 144   4.328 -17.356  -8.379
   95    HB2  ASP 144           HB2      ASP 144   3.116 -19.399  -7.894
   96    HB3  ASP 144           HB1      ASP 144   1.863 -18.500  -7.042
   97    H    THR 145           H        THR 145   1.563 -16.544  -6.293
   98    HA   THR 145           HA       THR 145   1.674 -13.771  -7.152
   99    HB   THR 145           HB       THR 145  -0.809 -15.437  -7.633
  100    HG1  THR 145           HG1      THR 145   0.668 -15.816  -9.278
  101   HG21  THR 145          3HG2      THR 145  -1.725 -13.392  -8.631
  102   HG22  THR 145          1HG2      THR 145  -0.262 -12.518  -8.181
  103   HG23  THR 145          2HG2      THR 145  -1.330 -13.153  -6.930
  104    HA   PRO 146           HA       PRO 146   0.650 -13.977  -2.667
  105    HB2  PRO 146           HB2      PRO 146   1.283 -11.104  -3.138
  106    HB3  PRO 146           HB1      PRO 146   1.798 -12.168  -1.824
  107    HG2  PRO 146           HG2      PRO 146   3.487 -11.516  -3.764
  108    HG3  PRO 146           HG1      PRO 146   3.458 -13.160  -3.099
  109    HD2  PRO 146           HD2      PRO 146   2.367 -12.143  -5.689
  110    HD3  PRO 146           HD1      PRO 146   3.141 -13.699  -5.323
  111    H    GLU 147           H        GLU 147  -1.155 -13.216  -1.572
  112    HA   GLU 147           HA       GLU 147  -3.080 -11.722  -3.215
  113    HB2  GLU 147           HB2      GLU 147  -4.850 -13.231  -2.172
  114    HB3  GLU 147           HB1      GLU 147  -3.827 -13.938  -3.415
  115    HG2  GLU 147           HG2      GLU 147  -2.420 -14.928  -1.634
  116    HG3  GLU 147           HG1      GLU 147  -3.567 -14.311  -0.442
  117    H    VAL 148           H        VAL 148  -4.655 -10.525  -2.078
  118    HA   VAL 148           HA       VAL 148  -3.585  -9.514   0.453
  119    HB   VAL 148           HB       VAL 148  -5.887  -8.194  -0.832
  120   HG11  VAL 148          1HG1      VAL 148  -4.699  -6.172  -0.197
  121   HG12  VAL 148          2HG1      VAL 148  -3.339  -7.153   0.350
  122   HG13  VAL 148          3HG1      VAL 148  -4.899  -7.274   1.165
  123   HG21  VAL 148          3HG2      VAL 148  -3.166  -8.081  -2.066
  124   HG22  VAL 148          1HG2      VAL 148  -4.533  -7.053  -2.488
  125   HG23  VAL 148          2HG2      VAL 148  -4.610  -8.791  -2.784
  126    H    ASP 149           H        ASP 149  -4.727  -9.610   2.337
  127    HA   ASP 149           HA       ASP 149  -6.911 -11.377   2.559
  128    HB2  ASP 149           HB2      ASP 149  -6.228  -9.304   4.616
  129    HB3  ASP 149           HB1      ASP 149  -6.892 -10.916   4.872
  130    H    LEU 150           H        LEU 150  -6.573  -7.978   2.665
  131    HA   LEU 150           HA       LEU 150  -7.948  -6.189   2.520
  132    HB2  LEU 150           HB2      LEU 150  -9.488  -8.196   0.910
  133    HB3  LEU 150           HB1      LEU 150 -10.115  -6.579   1.177
  134    HG   LEU 150           HG       LEU 150  -7.476  -7.224  -0.150
  135   HD11  LEU 150          1HD1      LEU 150 -10.063  -6.213  -1.307
  136   HD12  LEU 150          2HD1      LEU 150  -9.402  -7.836  -1.519
  137   HD13  LEU 150          3HD1      LEU 150  -8.548  -6.442  -2.180
  138   HD21  LEU 150          3HD2      LEU 150  -7.394  -4.856  -0.675
  139   HD22  LEU 150          1HD2      LEU 150  -7.467  -5.094   1.071
  140   HD23  LEU 150          2HD2      LEU 150  -8.909  -4.592   0.190
  141    H    TYR 151           H        TYR 151  -8.418  -8.517   4.557
  142    HA   TYR 151           HA       TYR 151 -11.070  -7.766   5.492
  143    HB2  TYR 151           HB2      TYR 151  -9.812 -10.169   5.481
  144    HB3  TYR 151           HB1      TYR 151  -9.403  -9.614   7.101
  145    HD1  TYR 151           HD1      TYR 151 -11.222  -9.127   8.728
  146    HD2  TYR 151           HD2      TYR 151 -12.017 -10.882   4.936
  147    HE1  TYR 151           HE1      TYR 151 -13.434  -9.844   9.528
  148    HE2  TYR 151           HE2      TYR 151 -14.231 -11.603   5.725
  149    HH   TYR 151           HH       TYR 151 -15.320 -12.117   7.964
  150    H    GLN 152           H        GLN 152  -7.865  -6.838   5.858
  151    HA   GLN 152           HA       GLN 152  -7.878  -6.039   8.599
  152    HB2  GLN 152           HB2      GLN 152  -6.266  -4.518   6.591
  153    HB3  GLN 152           HB1      GLN 152  -5.832  -5.015   8.213
  154    HG2  GLN 152           HG2      GLN 152  -4.453  -6.323   6.976
  155    HG3  GLN 152           HG1      GLN 152  -5.833  -7.409   7.154
  156   HE21  GLN 152          1HE2      GLN 152  -3.718  -7.219   5.100
  157   HE22  GLN 152          2HE2      GLN 152  -4.551  -7.033   3.597
  158    H    LEU 153           H        LEU 153  -8.986  -4.731   5.599
  159    HA   LEU 153           HA       LEU 153  -9.147  -2.017   6.239
  160    HB2  LEU 153           HB2      LEU 153 -11.017  -3.579   4.458
  161    HB3  LEU 153           HB1      LEU 153 -10.805  -1.841   4.461
  162    HG   LEU 153           HG       LEU 153  -8.908  -3.946   3.466
  163   HD11  LEU 153          1HD1      LEU 153 -10.057  -1.464   2.200
  164   HD12  LEU 153          2HD1      LEU 153 -10.634  -3.112   1.937
  165   HD13  LEU 153          3HD1      LEU 153  -9.011  -2.652   1.418
  166   HD21  LEU 153          3HD2      LEU 153  -7.301  -2.117   3.064
  167   HD22  LEU 153          1HD2      LEU 153  -7.550  -2.460   4.776
  168   HD23  LEU 153          2HD2      LEU 153  -8.315  -1.051   4.038
  169    H    GLN 154           H        GLN 154 -10.473  -0.877   7.439
  170    HA   GLN 154           HA       GLN 154 -12.359  -2.175   9.140
  171    HB2  GLN 154           HB2      GLN 154 -11.797   0.758   8.668
  172    HB3  GLN 154           HB1      GLN 154 -12.863   0.138   9.925
  173    HG2  GLN 154           HG2      GLN 154  -9.906  -0.382   9.673
  174    HG3  GLN 154           HG1      GLN 154 -10.690   0.685  10.839
  175   HE21  GLN 154          1HE2      GLN 154 -10.009  -2.601   9.960
  176   HE22  GLN 154          2HE2      GLN 154 -10.544  -3.321  11.439
  177    H    VAL 155           H        VAL 155 -14.647  -1.396   9.317
  178    HA   VAL 155           HA       VAL 155 -16.039  -1.985   6.977
  179    HB   VAL 155           HB       VAL 155 -17.092  -0.422   9.342
  180   HG11  VAL 155          1HG1      VAL 155 -18.547  -0.286   7.396
  181   HG12  VAL 155          2HG1      VAL 155 -19.277  -1.286   8.653
  182   HG13  VAL 155          3HG1      VAL 155 -18.531  -2.043   7.244
  183   HG21  VAL 155          3HG2      VAL 155 -16.143  -2.494  10.105
  184   HG22  VAL 155          1HG2      VAL 155 -16.977  -3.389   8.836
  185   HG23  VAL 155          2HG2      VAL 155 -17.901  -2.625  10.128
  186    H    ASN 156           H        ASN 156 -15.311   1.146   8.459
  187    HA   ASN 156           HA       ASN 156 -16.747   2.687   6.624
  188    HB2  ASN 156           HB2      ASN 156 -15.275   4.590   7.370
  189    HB3  ASN 156           HB1      ASN 156 -16.108   3.734   8.658
  190   HD21  ASN 156          1HD2      ASN 156 -14.662   4.460  10.196
  191   HD22  ASN 156          2HD2      ASN 156 -13.041   3.855  10.316
  192    H    THR 157           H        THR 157 -13.478   1.419   6.480
  193    HA   THR 157           HA       THR 157 -12.677   2.866   4.167
  194    HB   THR 157           HB       THR 157 -11.599   0.238   5.217
  195    HG1  THR 157           HG1      THR 157 -10.023   2.337   5.769
  196   HG21  THR 157          3HG2      THR 157  -9.553   0.850   4.040
  197   HG22  THR 157          1HG2      THR 157 -10.322   2.317   3.439
  198   HG23  THR 157          2HG2      THR 157 -10.908   0.738   2.917
  199    H    LEU 158           H        LEU 158 -13.897  -0.439   4.679
  200    HA   LEU 158           HA       LEU 158 -13.832  -1.270   1.997
  201    HB2  LEU 158           HB2      LEU 158 -15.641  -2.091   4.265
  202    HB3  LEU 158           HB1      LEU 158 -15.584  -2.911   2.717
  203    HG   LEU 158           HG       LEU 158 -13.192  -2.641   4.532
  204   HD11  LEU 158          1HD1      LEU 158 -13.611  -4.970   5.151
  205   HD12  LEU 158          2HD1      LEU 158 -15.122  -4.936   4.242
  206   HD13  LEU 158          3HD1      LEU 158 -14.926  -3.914   5.664
  207   HD21  LEU 158          3HD2      LEU 158 -12.311  -4.458   3.146
  208   HD22  LEU 158          1HD2      LEU 158 -12.665  -3.018   2.188
  209   HD23  LEU 158          2HD2      LEU 158 -13.765  -4.396   2.148
  210    H    ARG 159           H        ARG 159 -16.424   0.195   3.910
  211    HA   ARG 159           HA       ARG 159 -18.323   0.305   1.822
  212    HB2  ARG 159           HB2      ARG 159 -18.020   1.862   4.381
  213    HB3  ARG 159           HB1      ARG 159 -19.353   2.136   3.268
  214    HG2  ARG 159           HG2      ARG 159 -20.024  -0.213   3.523
  215    HG3  ARG 159           HG1      ARG 159 -18.711  -0.442   4.681
  216    HD2  ARG 159           HD2      ARG 159 -20.845  -0.061   5.813
  217    HD3  ARG 159           HD1      ARG 159 -19.695   1.233   6.151
  218    HE   ARG 159           HE       ARG 159 -21.026   2.299   4.120
  219   HH11  ARG 159          1HH1      ARG 159 -22.219   0.592   6.932
  220   HH12  ARG 159          2HH1      ARG 159 -23.737   1.439   6.975
  221   HH21  ARG 159          1HH2      ARG 159 -22.997   3.415   4.157
  222   HH22  ARG 159          2HH2      ARG 159 -24.189   3.051   5.370
  223    H    ARG 160           H        ARG 160 -15.689   2.396   2.769
  224    HA   ARG 160           HA       ARG 160 -16.465   4.659   1.255
  225    HB2  ARG 160           HB2      ARG 160 -14.736   4.555   3.114
  226    HB3  ARG 160           HB1      ARG 160 -13.637   3.869   1.927
  227    HG2  ARG 160           HG2      ARG 160 -13.804   5.863   0.566
  228    HG3  ARG 160           HG1      ARG 160 -14.973   6.556   1.693
  229    HD2  ARG 160           HD2      ARG 160 -12.124   5.815   2.340
  230    HD3  ARG 160           HD1      ARG 160 -12.724   7.448   2.056
  231    HE   ARG 160           HE       ARG 160 -14.197   7.018   4.057
  232   HH11  ARG 160          1HH1      ARG 160 -11.144   5.350   3.650
  233   HH12  ARG 160          2HH1      ARG 160 -10.855   5.204   5.356
  234   HH21  ARG 160          1HH2      ARG 160 -13.822   6.830   6.298
  235   HH22  ARG 160          2HH2      ARG 160 -12.367   6.058   6.870
  236    H    TYR 161           H        TYR 161 -14.203   1.981   0.585
  237    HA   TYR 161           HA       TYR 161 -13.504   2.617  -2.012
  238    HB2  TYR 161           HB2      TYR 161 -12.537   0.718  -0.791
  239    HB3  TYR 161           HB1      TYR 161 -14.076  -0.132  -0.871
  240    HD1  TYR 161           HD2      TYR 161 -14.855  -1.100  -2.978
  241    HD2  TYR 161           HD1      TYR 161 -11.080   0.841  -2.713
  242    HE1  TYR 161           HE2      TYR 161 -14.196  -2.105  -5.119
  243    HE2  TYR 161           HE1      TYR 161 -10.413  -0.160  -4.857
  244    HH   TYR 161           HH       TYR 161 -11.015  -2.111  -6.247
  245    H    LYS 162           H        LYS 162 -16.299   0.751  -0.902
  246    HA   LYS 162           HA       LYS 162 -17.456   0.187  -3.374
  247    HB2  LYS 162           HB2      LYS 162 -18.732   0.653  -0.682
  248    HB3  LYS 162           HB1      LYS 162 -19.592   0.018  -2.075
  249    HG2  LYS 162           HG2      LYS 162 -18.357  -1.971  -2.069
  250    HG3  LYS 162           HG1      LYS 162 -17.138  -1.308  -0.980
  251    HD2  LYS 162           HD2      LYS 162 -18.590  -2.842   0.215
  252    HD3  LYS 162           HD1      LYS 162 -18.815  -1.202   0.811
  253    HE2  LYS 162           HE2      LYS 162 -20.616  -2.472  -1.240
  254    HE3  LYS 162           HE1      LYS 162 -20.911  -2.579   0.492
  255    HZ1  LYS 162           HZ1      LYS 162 -20.825  -0.042   0.451
  256    HZ2  LYS 162           HZ2      LYS 162 -22.193  -0.774  -0.225
  257    HZ3  LYS 162           HZ3      LYS 162 -20.977  -0.171  -1.231
  258    H    ARG 163           H        ARG 163 -17.897   3.014  -1.272
  259    HA   ARG 163           HA       ARG 163 -20.008   4.039  -2.948
  260    HB2  ARG 163           HB2      ARG 163 -19.858   4.253  -0.408
  261    HB3  ARG 163           HB1      ARG 163 -18.666   5.511  -0.694
  262    HG2  ARG 163           HG2      ARG 163 -20.840   6.494  -0.323
  263    HG3  ARG 163           HG1      ARG 163 -20.327   6.775  -1.989
  264    HD2  ARG 163           HD2      ARG 163 -21.727   4.952  -2.758
  265    HD3  ARG 163           HD1      ARG 163 -22.187   4.568  -1.104
  266    HE   ARG 163           HE       ARG 163 -22.825   7.261  -1.808
  267   HH11  ARG 163          1HH1      ARG 163 -23.893   3.945  -2.109
  268   HH12  ARG 163          2HH1      ARG 163 -25.572   4.358  -2.276
  269   HH21  ARG 163          1HH2      ARG 163 -25.032   7.825  -2.054
  270   HH22  ARG 163          2HH2      ARG 163 -26.217   6.567  -2.274
  271    H    HIS 164           H        HIS 164 -16.593   4.636  -2.472
  272    HA   HIS 164           HA       HIS 164 -16.546   7.126  -3.865
  273    HB2  HIS 164           HB2      HIS 164 -14.790   6.306  -2.226
  274    HB3  HIS 164           HB1      HIS 164 -14.207   5.255  -3.513
  275    HD1  HIS 164           HD1      HIS 164 -12.904   6.359  -5.453
  276    HD2  HIS 164           HD2      HIS 164 -14.286   9.050  -2.603
  277    HE1  HIS 164           HE1      HIS 164 -11.769   8.536  -5.975
  278    HE2  HIS 164           HE2      HIS 164 -12.534  10.129  -4.168
  279    H    PHE 165           H        PHE 165 -16.037   3.756  -4.781
  280    HA   PHE 165           HA       PHE 165 -15.416   4.521  -7.510
  281    HB2  PHE 165           HB2      PHE 165 -15.499   1.913  -6.035
  282    HB3  PHE 165           HB1      PHE 165 -15.461   1.938  -7.795
  283    HD1  PHE 165           HD2      PHE 165 -13.606   2.853  -4.742
  284    HD2  PHE 165           HD1      PHE 165 -13.487   2.479  -8.980
  285    HE1  PHE 165           HE2      PHE 165 -11.160   3.111  -4.694
  286    HE2  PHE 165           HE1      PHE 165 -11.040   2.737  -8.939
  287    HZ   PHE 165           HZ       PHE 165  -9.874   3.053  -6.795
  288    H    LYS 166           H        LYS 166 -18.168   4.071  -5.716
  289    HA   LYS 166           HA       LYS 166 -20.376   3.890  -6.163
  290    HB2  LYS 166           HB2      LYS 166 -19.470   4.560  -8.969
  291    HB3  LYS 166           HB1      LYS 166 -21.154   4.478  -8.470
  292    HG2  LYS 166           HG2      LYS 166 -19.095   6.347  -7.313
  293    HG3  LYS 166           HG1      LYS 166 -20.287   6.776  -8.541
  294    HD2  LYS 166           HD2      LYS 166 -22.089   6.213  -6.976
  295    HD3  LYS 166           HD1      LYS 166 -20.891   5.802  -5.748
  296    HE2  LYS 166           HE2      LYS 166 -21.225   8.510  -7.029
  297    HE3  LYS 166           HE1      LYS 166 -21.834   8.058  -5.438
  298    HZ1  LYS 166           HZ1      LYS 166 -19.792   9.209  -5.151
  299    HZ2  LYS 166           HZ2      LYS 166 -18.995   8.246  -6.295
  300    HZ3  LYS 166           HZ3      LYS 166 -19.485   7.574  -4.818
  301    H    LEU 167           H        LEU 167 -19.895   1.598  -5.618
  302    HA   LEU 167           HA       LEU 167 -20.218  -0.205  -7.918
  303    HB2  LEU 167           HB2      LEU 167 -19.327  -0.816  -5.101
  304    HB3  LEU 167           HB1      LEU 167 -19.428  -1.975  -6.410
  305    HG   LEU 167           HG       LEU 167 -17.557   0.394  -6.288
  306   HD11  LEU 167          1HD1      LEU 167 -15.814  -1.326  -6.112
  307   HD12  LEU 167          2HD1      LEU 167 -17.064  -2.568  -6.036
  308   HD13  LEU 167          3HD1      LEU 167 -16.933  -1.373  -4.747
  309   HD21  LEU 167          3HD2      LEU 167 -16.572  -0.532  -8.320
  310   HD22  LEU 167          1HD2      LEU 167 -18.264  -0.098  -8.578
  311   HD23  LEU 167          2HD2      LEU 167 -17.809  -1.788  -8.358
  312    HA   PRO 168           HA       PRO 168 -24.367  -1.229  -6.709
  313    HB2  PRO 168           HB2      PRO 168 -23.818  -3.919  -7.777
  314    HB3  PRO 168           HB1      PRO 168 -24.997  -2.720  -8.310
  315    HG2  PRO 168           HG2      PRO 168 -22.813  -3.291  -9.760
  316    HG3  PRO 168           HG1      PRO 168 -23.485  -1.651  -9.689
  317    HD2  PRO 168           HD2      PRO 168 -21.122  -2.798  -8.252
  318    HD3  PRO 168           HD1      PRO 168 -21.310  -1.203  -9.011
  319    H    THR 169           H        THR 169 -25.489  -2.472  -5.168
  320    HA   THR 169           HA       THR 169 -23.846  -4.228  -3.484
  321    HB   THR 169           HB       THR 169 -24.906  -3.084  -1.474
  322    HG1  THR 169           HG1      THR 169 -25.507  -1.200  -3.534
  323   HG21  THR 169          3HG2      THR 169 -22.559  -2.803  -2.025
  324   HG22  THR 169          1HG2      THR 169 -23.235  -1.273  -1.466
  325   HG23  THR 169          2HG2      THR 169 -22.961  -1.539  -3.188
  326    H    ARG 170           H        ARG 170 -25.153  -5.355  -1.814
  327    HA   ARG 170           HA       ARG 170 -27.900  -5.897  -2.733
  328    HB2  ARG 170           HB2      ARG 170 -26.012  -7.863  -1.414
  329    HB3  ARG 170           HB1      ARG 170 -27.635  -8.204  -1.992
  330    HG2  ARG 170           HG2      ARG 170 -26.836  -7.665  -4.298
  331    HG3  ARG 170           HG1      ARG 170 -25.201  -7.572  -3.638
  332    HD2  ARG 170           HD2      ARG 170 -27.029  -9.970  -3.603
  333    HD3  ARG 170           HD1      ARG 170 -25.581  -9.765  -4.585
  334    HE   ARG 170           HE       ARG 170 -24.482  -9.568  -2.228
  335   HH11  ARG 170          1HH1      ARG 170 -27.093 -11.706  -3.153
  336   HH12  ARG 170          2HH1      ARG 170 -26.659 -12.938  -2.004
  337   HH21  ARG 170          1HH2      ARG 170 -23.904 -11.193  -0.716
  338   HH22  ARG 170          2HH2      ARG 170 -24.825 -12.668  -0.659
  339    HA   PRO 171           HA       PRO 171 -29.145  -4.919   1.444
  340    HB2  PRO 171           HB2      PRO 171 -31.275  -6.616   1.702
  341    HB3  PRO 171           HB1      PRO 171 -31.343  -5.086   0.821
  342    HG2  PRO 171           HG2      PRO 171 -31.011  -7.868  -0.231
  343    HG3  PRO 171           HG1      PRO 171 -31.984  -6.531  -0.876
  344    HD2  PRO 171           HD2      PRO 171 -29.589  -7.214  -1.917
  345    HD3  PRO 171           HD1      PRO 171 -30.175  -5.538  -1.896
  346    H    GLY 172           H        GLY 172 -28.456  -5.605   3.387
  347    HA2  GLY 172           HA2      GLY 172 -28.117  -7.217   5.093
  348    HA3  GLY 172           HA1      GLY 172 -28.159  -8.485   3.875
  349    H    LEU 173           H        LEU 173 -26.270  -5.506   3.835
  350    HA   LEU 173           HA       LEU 173 -23.906  -6.882   3.086
  351    HB2  LEU 173           HB2      LEU 173 -24.368  -4.046   3.985
  352    HB3  LEU 173           HB1      LEU 173 -22.805  -4.654   3.473
  353    HG   LEU 173           HG       LEU 173 -25.281  -4.554   1.745
  354   HD11  LEU 173          1HD1      LEU 173 -24.412  -2.331   2.219
  355   HD12  LEU 173          2HD1      LEU 173 -24.098  -2.781   0.543
  356   HD13  LEU 173          3HD1      LEU 173 -22.796  -2.847   1.732
  357   HD21  LEU 173          3HD2      LEU 173 -22.428  -5.284   1.078
  358   HD22  LEU 173          1HD2      LEU 173 -23.760  -5.149  -0.073
  359   HD23  LEU 173          2HD2      LEU 173 -23.787  -6.404   1.167
  360    H    ASN 174           H        ASN 174 -22.057  -7.281   4.202
  361    HA   ASN 174           HA       ASN 174 -21.981  -6.839   7.087
  362    HB2  ASN 174           HB2      ASN 174 -21.992  -9.516   5.716
  363    HB3  ASN 174           HB1      ASN 174 -21.118  -9.305   7.229
  364   HD21  ASN 174          1HD2      ASN 174 -24.246  -9.353   5.701
  365   HD22  ASN 174          2HD2      ASN 174 -25.174  -9.466   7.155
  366    H    LYS 175           H        LYS 175 -19.730  -7.851   7.866
  367    HA   LYS 175           HA       LYS 175 -17.753  -6.242   6.730
  368    HB2  LYS 175           HB2      LYS 175 -17.588  -7.048   9.010
  369    HB3  LYS 175           HB1      LYS 175 -17.476  -8.710   8.450
  370    HG2  LYS 175           HG2      LYS 175 -15.300  -7.893   9.125
  371    HG3  LYS 175           HG1      LYS 175 -15.329  -8.205   7.390
  372    HD2  LYS 175           HD2      LYS 175 -15.694  -5.796   6.991
  373    HD3  LYS 175           HD1      LYS 175 -15.574  -5.513   8.729
  374    HE2  LYS 175           HE2      LYS 175 -13.400  -6.805   7.094
  375    HE3  LYS 175           HE1      LYS 175 -13.474  -5.075   7.413
  376    HZ1  LYS 175           HZ1      LYS 175 -13.241  -5.467   9.737
  377    HZ2  LYS 175           HZ2      LYS 175 -12.015  -6.333   8.945
  378    HZ3  LYS 175           HZ3      LYS 175 -13.376  -7.147   9.542
  379    H    ALA 176           H        ALA 176 -18.189  -9.773   6.387
  380    HA   ALA 176           HA       ALA 176 -16.014 -10.078   4.580
  381    HB1  ALA 176           HB1      ALA 176 -18.389 -11.882   5.031
  382    HB2  ALA 176           HB2      ALA 176 -16.861 -11.939   5.909
  383    HB3  ALA 176           HB3      ALA 176 -16.902 -12.320   4.188
  384    H    GLN 177           H        GLN 177 -19.389  -9.299   4.189
  385    HA   GLN 177           HA       GLN 177 -19.600  -9.780   1.409
  386    HB2  GLN 177           HB2      GLN 177 -21.105  -8.029   3.332
  387    HB3  GLN 177           HB1      GLN 177 -21.436  -7.954   1.606
  388    HG2  GLN 177           HG2      GLN 177 -21.619 -10.439   3.292
  389    HG3  GLN 177           HG1      GLN 177 -22.984  -9.426   2.821
  390   HE21  GLN 177          1HE2      GLN 177 -20.698 -11.808   1.808
  391   HE22  GLN 177          2HE2      GLN 177 -21.388 -12.116   0.248
  392    H    LEU 178           H        LEU 178 -18.689  -6.960   3.314
  393    HA   LEU 178           HA       LEU 178 -18.367  -5.164   1.173
  394    HB2  LEU 178           HB2      LEU 178 -16.859  -5.215   3.790
  395    HB3  LEU 178           HB1      LEU 178 -17.028  -3.840   2.717
  396    HG   LEU 178           HG       LEU 178 -19.283  -5.155   4.237
  397   HD11  LEU 178          1HD1      LEU 178 -17.900  -2.514   4.686
  398   HD12  LEU 178          2HD1      LEU 178 -17.751  -3.951   5.701
  399   HD13  LEU 178          3HD1      LEU 178 -19.300  -3.121   5.570
  400   HD21  LEU 178          3HD2      LEU 178 -20.609  -3.241   3.489
  401   HD22  LEU 178          1HD2      LEU 178 -20.033  -4.207   2.131
  402   HD23  LEU 178          2HD2      LEU 178 -19.245  -2.679   2.522
  403    H    VAL 179           H        VAL 179 -16.059  -7.294   2.836
  404    HA   VAL 179           HA       VAL 179 -13.763  -6.635   1.413
  405    HB   VAL 179           HB       VAL 179 -14.559  -9.282   2.637
  406   HG11  VAL 179          1HG1      VAL 179 -11.850  -8.312   1.742
  407   HG12  VAL 179          2HG1      VAL 179 -12.790  -9.613   1.011
  408   HG13  VAL 179          3HG1      VAL 179 -12.161  -9.792   2.649
  409   HG21  VAL 179          3HG2      VAL 179 -13.191  -8.565   4.517
  410   HG22  VAL 179          1HG2      VAL 179 -14.484  -7.406   4.209
  411   HG23  VAL 179          2HG2      VAL 179 -12.837  -7.045   3.693
  412    H    GLU 180           H        GLU 180 -16.209  -9.128   0.735
  413    HA   GLU 180           HA       GLU 180 -14.958 -10.237  -1.505
  414    HB2  GLU 180           HB2      GLU 180 -17.861 -10.095  -0.715
  415    HB3  GLU 180           HB1      GLU 180 -17.308 -10.965  -2.141
  416    HG2  GLU 180           HG2      GLU 180 -15.868 -12.351  -0.717
  417    HG3  GLU 180           HG1      GLU 180 -16.478 -11.501   0.702
  418    H    ILE 181           H        ILE 181 -17.357  -7.612  -1.319
  419    HA   ILE 181           HA       ILE 181 -17.519  -7.178  -4.107
  420    HB   ILE 181           HB       ILE 181 -17.999  -5.211  -1.855
  421   HG12  ILE 181          2HG1      ILE 181 -19.945  -6.925  -3.421
  422   HG13  ILE 181          1HG1      ILE 181 -19.414  -7.246  -1.773
  423   HG21  ILE 181          1HG2      ILE 181 -18.846  -5.081  -4.750
  424   HG22  ILE 181          2HG2      ILE 181 -17.625  -4.068  -3.979
  425   HG23  ILE 181          3HG2      ILE 181 -19.313  -3.943  -3.487
  426   HD11  ILE 181          3HD1      ILE 181 -21.611  -6.222  -1.804
  427   HD12  ILE 181          1HD1      ILE 181 -20.969  -4.839  -2.691
  428   HD13  ILE 181          2HD1      ILE 181 -20.434  -5.153  -1.040
  429    H    VAL 182           H        VAL 182 -15.598  -5.580  -1.579
  430    HA   VAL 182           HA       VAL 182 -14.284  -3.739  -3.222
  431    HB   VAL 182           HB       VAL 182 -13.377  -5.013  -0.636
  432   HG11  VAL 182          1HG1      VAL 182 -11.416  -4.232  -1.838
  433   HG12  VAL 182          2HG1      VAL 182 -11.755  -3.164  -0.476
  434   HG13  VAL 182          3HG1      VAL 182 -12.181  -2.667  -2.115
  435   HG21  VAL 182          3HG2      VAL 182 -14.026  -2.864   0.339
  436   HG22  VAL 182          1HG2      VAL 182 -15.389  -3.653  -0.454
  437   HG23  VAL 182          2HG2      VAL 182 -14.567  -2.308  -1.245
  438    H    GLY 183           H        GLY 183 -13.285  -6.993  -2.201
  439    HA2  GLY 183           HA2      GLY 183 -10.773  -6.919  -3.480
  440    HA3  GLY 183           HA1      GLY 183 -11.595  -8.356  -2.902
  441    H    CYS 184           H        CYS 184 -13.916  -8.079  -4.496
  442    HA   CYS 184           HA       CYS 184 -13.145  -9.395  -6.838
  443    HB2  CYS 184           HB2      CYS 184 -15.398  -9.591  -5.895
  444    HB3  CYS 184           HB1      CYS 184 -15.712  -7.898  -6.251
  445    HG   CYS 184           HG       CYS 184 -15.835 -10.575  -8.272
  446    H    HIS 185           H        HIS 185 -14.147  -6.012  -6.328
  447    HA   HIS 185           HA       HIS 185 -13.616  -5.353  -9.092
  448    HB2  HIS 185           HB2      HIS 185 -15.421  -4.243  -7.790
  449    HB3  HIS 185           HB1      HIS 185 -14.192  -3.500  -6.772
  450    HD1  HIS 185           HD1      HIS 185 -12.990  -1.451  -7.676
  451    HD2  HIS 185           HD2      HIS 185 -15.547  -3.220 -10.437
  452    HE1  HIS 185           HE1      HIS 185 -13.175   0.189  -9.578
  453    HE2  HIS 185           HE2      HIS 185 -14.894  -0.813 -11.132
  454    H    PHE 186           H        PHE 186 -11.896  -5.262  -6.088
  455    HA   PHE 186           HA       PHE 186  -9.992  -3.308  -6.577
  456    HB2  PHE 186           HB2      PHE 186 -10.372  -4.518  -4.415
  457    HB3  PHE 186           HB1      PHE 186  -9.542  -5.909  -5.106
  458    HD1  PHE 186           HD1      PHE 186  -8.899  -2.241  -4.961
  459    HD2  PHE 186           HD2      PHE 186  -7.435  -6.174  -4.286
  460    HE1  PHE 186           HE1      PHE 186  -6.757  -1.311  -4.216
  461    HE2  PHE 186           HE2      PHE 186  -5.288  -5.252  -3.538
  462    HZ   PHE 186           HZ       PHE 186  -4.940  -2.815  -3.502
  463    H    LYS 187           H        LYS 187  -9.878  -6.788  -7.314
  464    HA   LYS 187           HA       LYS 187  -7.366  -6.466  -8.711
  465    HB2  LYS 187           HB2      LYS 187  -9.209  -8.828  -8.386
  466    HB3  LYS 187           HB1      LYS 187  -7.716  -8.890  -9.311
  467    HG2  LYS 187           HG2      LYS 187  -6.503  -8.160  -7.252
  468    HG3  LYS 187           HG1      LYS 187  -8.017  -8.359  -6.367
  469    HD2  LYS 187           HD2      LYS 187  -8.088 -10.711  -6.970
  470    HD3  LYS 187           HD1      LYS 187  -6.627 -10.526  -7.943
  471    HE2  LYS 187           HE2      LYS 187  -6.849 -10.152  -4.959
  472    HE3  LYS 187           HE1      LYS 187  -6.117 -11.525  -5.785
  473    HZ1  LYS 187           HZ1      LYS 187  -4.389 -10.077  -5.101
  474    HZ2  LYS 187           HZ2      LYS 187  -5.147  -8.723  -5.768
  475    HZ3  LYS 187           HZ3      LYS 187  -4.511  -9.924  -6.784
  476    H    SER 188           H        SER 188  -9.208  -4.773  -9.795
  477    HA   SER 188           HA       SER 188  -9.025  -5.631 -12.556
  478    HB2  SER 188           HB2      SER 188 -11.654  -4.733 -11.344
  479    HB3  SER 188           HB1      SER 188 -11.360  -4.965 -13.067
  480    HG   SER 188           HG       SER 188 -10.589  -7.156 -11.722
  481    H    ILE 189           H        ILE 189  -8.154  -3.527 -10.413
  482    HA   ILE 189           HA       ILE 189  -8.947  -1.050 -11.718
  483    HB   ILE 189           HB       ILE 189  -7.198  -1.534  -9.296
  484   HG12  ILE 189          2HG1      ILE 189 -10.025  -0.471  -9.501
  485   HG13  ILE 189          1HG1      ILE 189  -9.587  -2.094  -8.978
  486   HG21  ILE 189          1HG2      ILE 189  -6.557   0.514 -10.433
  487   HG22  ILE 189          2HG2      ILE 189  -7.358   0.874  -8.904
  488   HG23  ILE 189          3HG2      ILE 189  -8.236   1.061 -10.423
  489   HD11  ILE 189          3HD1      ILE 189 -10.111  -0.612  -7.106
  490   HD12  ILE 189          1HD1      ILE 189  -8.788   0.449  -7.584
  491   HD13  ILE 189          2HD1      ILE 189  -8.448  -1.196  -7.046
  492    HA   PRO 190           HA       PRO 190  -5.211  -1.202 -14.207
  493    HB2  PRO 190           HB2      PRO 190  -6.064   1.411 -15.187
  494    HB3  PRO 190           HB1      PRO 190  -5.939  -0.113 -16.064
  495    HG2  PRO 190           HG2      PRO 190  -8.312   1.059 -15.486
  496    HG3  PRO 190           HG1      PRO 190  -8.112  -0.698 -15.623
  497    HD2  PRO 190           HD2      PRO 190  -8.276   1.006 -13.167
  498    HD3  PRO 190           HD1      PRO 190  -8.991  -0.590 -13.484
  499    H    VAL 191           H        VAL 191  -3.215  -0.190 -14.115
  500    HA   VAL 191           HA       VAL 191  -2.974   2.298 -12.596
  501    HB   VAL 191           HB       VAL 191  -0.864   1.203 -11.509
  502   HG11  VAL 191          1HG1      VAL 191  -3.620   0.574 -10.480
  503   HG12  VAL 191          2HG1      VAL 191  -2.768   2.105 -10.279
  504   HG13  VAL 191          3HG1      VAL 191  -2.133   0.640  -9.530
  505   HG21  VAL 191          3HG2      VAL 191  -0.988  -0.933 -12.648
  506   HG22  VAL 191          1HG2      VAL 191  -2.600  -1.214 -11.991
  507   HG23  VAL 191          2HG2      VAL 191  -1.207  -1.159 -10.912
  508    H    ASN 192           H        ASN 192  -1.654   3.654 -13.592
  509    HA   ASN 192           HA       ASN 192   0.320   2.647 -15.498
  510    HB2  ASN 192           HB2      ASN 192  -0.954   4.651 -16.141
  511    HB3  ASN 192           HB1      ASN 192  -0.396   5.484 -14.693
  512   HD21  ASN 192          1HD2      ASN 192   0.455   4.338 -17.847
  513   HD22  ASN 192          2HD2      ASN 192   1.974   5.170 -17.963
  514    H    GLU 193           H        GLU 193   2.331   2.193 -14.847
  515    HA   GLU 193           HA       GLU 193   3.067   2.165 -12.188
  516    HB2  GLU 193           HB2      GLU 193   4.136   0.800 -13.914
  517    HB3  GLU 193           HB1      GLU 193   4.880   2.233 -14.606
  518    HG2  GLU 193           HG2      GLU 193   6.204   2.550 -12.610
  519    HG3  GLU 193           HG1      GLU 193   5.403   1.185 -11.834
  520    H    LYS 194           H        LYS 194   4.185   4.498 -14.653
  521    HA   LYS 194           HA       LYS 194   5.771   6.052 -12.949
  522    HB2  LYS 194           HB2      LYS 194   5.954   6.237 -15.351
  523    HB3  LYS 194           HB1      LYS 194   4.296   6.806 -15.477
  524    HG2  LYS 194           HG2      LYS 194   5.798   8.663 -15.735
  525    HG3  LYS 194           HG1      LYS 194   4.928   8.832 -14.210
  526    HD2  LYS 194           HD2      LYS 194   6.901   7.846 -13.053
  527    HD3  LYS 194           HD1      LYS 194   7.760   7.865 -14.595
  528    HE2  LYS 194           HE2      LYS 194   7.438  10.306 -14.712
  529    HE3  LYS 194           HE1      LYS 194   6.648  10.260 -13.137
  530    HZ1  LYS 194           HZ1      LYS 194   8.757   9.259 -12.270
  531    HZ2  LYS 194           HZ2      LYS 194   8.879  10.877 -12.766
  532    HZ3  LYS 194           HZ3      LYS 194   9.480   9.639 -13.756
  533    H    ASP 195           H        ASP 195   2.407   6.546 -13.983
  534    HA   ASP 195           HA       ASP 195   2.012   8.963 -12.599
  535    HB2  ASP 195           HB2      ASP 195   0.572   8.188 -14.451
  536    HB3  ASP 195           HB1      ASP 195  -0.065   6.916 -13.413
  537    H    THR 196           H        THR 196   1.358   5.616 -11.666
  538    HA   THR 196           HA       THR 196  -0.037   6.238  -9.287
  539    HB   THR 196           HB       THR 196   1.491   3.693  -9.846
  540    HG1  THR 196           HG1      THR 196   0.111   3.979 -11.570
  541   HG21  THR 196          3HG2      THR 196   0.700   3.905  -7.558
  542   HG22  THR 196          1HG2      THR 196  -0.249   2.692  -8.415
  543   HG23  THR 196          2HG2      THR 196  -0.920   4.298  -8.131
  544    H    LEU 197           H        LEU 197   3.373   5.445  -9.927
  545    HA   LEU 197           HA       LEU 197   4.207   5.502  -7.235
  546    HB2  LEU 197           HB2      LEU 197   5.788   6.159  -9.725
  547    HB3  LEU 197           HB1      LEU 197   6.476   5.868  -8.139
  548    HG   LEU 197           HG       LEU 197   5.005   3.859  -9.845
  549   HD11  LEU 197          1HD1      LEU 197   7.884   4.009  -8.974
  550   HD12  LEU 197          2HD1      LEU 197   7.276   4.358 -10.592
  551   HD13  LEU 197          3HD1      LEU 197   7.153   2.725  -9.936
  552   HD21  LEU 197          3HD2      LEU 197   6.244   3.521  -7.118
  553   HD22  LEU 197          1HD2      LEU 197   5.545   2.241  -8.109
  554   HD23  LEU 197          2HD2      LEU 197   4.517   3.526  -7.472
  555    H    THR 198           H        THR 198   4.008   8.011  -9.716
  556    HA   THR 198           HA       THR 198   5.075  10.147  -8.268
  557    HB   THR 198           HB       THR 198   2.769  10.321 -10.226
  558    HG1  THR 198           HG1      THR 198   4.599   9.194 -11.109
  559   HG21  THR 198          3HG2      THR 198   4.898  12.324  -9.459
  560   HG22  THR 198          1HG2      THR 198   3.201  12.391  -8.986
  561   HG23  THR 198          2HG2      THR 198   3.649  12.562 -10.682
  562    H    CYS 199           H        CYS 199   1.731   8.950  -8.440
  563    HA   CYS 199           HA       CYS 199   0.490  10.825  -6.819
  564    HB2  CYS 199           HB2      CYS 199  -0.069   7.896  -7.280
  565    HB3  CYS 199           HB1      CYS 199  -1.145   8.946  -6.376
  566    HG   CYS 199           HG       CYS 199  -1.778  10.594  -8.518
  567    H    PHE 200           H        PHE 200   1.784   7.630  -5.879
  568    HA   PHE 200           HA       PHE 200   1.109   7.888  -3.164
  569    HB2  PHE 200           HB2      PHE 200   1.525   5.708  -4.102
  570    HB3  PHE 200           HB1      PHE 200   3.183   6.152  -4.505
  571    HD1  PHE 200           HD2      PHE 200   0.960   6.079  -1.506
  572    HD2  PHE 200           HD1      PHE 200   4.827   5.366  -3.125
  573    HE1  PHE 200           HE2      PHE 200   1.713   5.235   0.679
  574    HE2  PHE 200           HE1      PHE 200   5.590   4.522  -0.942
  575    HZ   PHE 200           HZ       PHE 200   4.033   4.455   0.960
  576    H    ILE 201           H        ILE 201   4.279   8.271  -4.760
  577    HA   ILE 201           HA       ILE 201   5.733   8.786  -2.447
  578    HB   ILE 201           HB       ILE 201   6.267   9.805  -5.240
  579   HG12  ILE 201          2HG1      ILE 201   7.311   7.389  -3.751
  580   HG13  ILE 201          1HG1      ILE 201   6.148   7.357  -5.070
  581   HG21  ILE 201          1HG2      ILE 201   8.589  10.085  -4.500
  582   HG22  ILE 201          2HG2      ILE 201   8.120   9.635  -2.861
  583   HG23  ILE 201          3HG2      ILE 201   7.489  11.115  -3.583
  584   HD11  ILE 201          3HD1      ILE 201   7.854   8.261  -6.577
  585   HD12  ILE 201          1HD1      ILE 201   8.348   6.731  -5.851
  586   HD13  ILE 201          2HD1      ILE 201   9.016   8.250  -5.250
  587    H    TYR 202           H        TYR 202   4.344  11.137  -4.748
  588    HA   TYR 202           HA       TYR 202   5.357  13.358  -3.316
  589    HB2  TYR 202           HB2      TYR 202   3.338  13.077  -5.518
  590    HB3  TYR 202           HB1      TYR 202   3.683  14.641  -4.787
  591    HD1  TYR 202           HD1      TYR 202   5.315  11.774  -6.514
  592    HD2  TYR 202           HD2      TYR 202   5.502  15.903  -5.514
  593    HE1  TYR 202           HE1      TYR 202   7.259  12.035  -7.996
  594    HE2  TYR 202           HE2      TYR 202   7.446  16.178  -6.991
  595    HH   TYR 202           HH       TYR 202   9.103  15.016  -8.102
  596    H    SER 203           H        SER 203   2.242  11.675  -3.197
  597    HA   SER 203           HA       SER 203   0.938  13.634  -1.633
  598    HB2  SER 203           HB2      SER 203   0.439  10.652  -1.747
  599    HB3  SER 203           HB1      SER 203  -0.650  11.847  -1.042
  600    HG   SER 203           HG       SER 203  -0.219  11.194  -3.669
  601    H    VAL 204           H        VAL 204   2.657  10.648  -0.677
  602    HA   VAL 204           HA       VAL 204   2.290  11.097   2.107
  603    HB   VAL 204           HB       VAL 204   4.366   9.364   0.752
  604   HG11  VAL 204          1HG1      VAL 204   4.327   8.087   2.848
  605   HG12  VAL 204          2HG1      VAL 204   3.238   9.286   3.548
  606   HG13  VAL 204          3HG1      VAL 204   4.880   9.744   3.091
  607   HG21  VAL 204          3HG2      VAL 204   2.766   7.536   1.069
  608   HG22  VAL 204          1HG2      VAL 204   2.123   8.788   0.007
  609   HG23  VAL 204          2HG2      VAL 204   1.578   8.686   1.683
  610    H    ARG 205           H        ARG 205   4.733  12.055  -0.210
  611    HA   ARG 205           HA       ARG 205   6.696  12.987   1.585
  612    HB2  ARG 205           HB2      ARG 205   5.961  13.694  -1.236
  613    HB3  ARG 205           HB1      ARG 205   7.161  14.646  -0.380
  614    HG2  ARG 205           HG2      ARG 205   7.330  11.673  -0.822
  615    HG3  ARG 205           HG1      ARG 205   8.140  12.895  -1.806
  616    HD2  ARG 205           HD2      ARG 205   9.240  13.712   0.285
  617    HD3  ARG 205           HD1      ARG 205   8.564  12.312   1.113
  618    HE   ARG 205           HE       ARG 205   9.968  11.413  -1.134
  619   HH11  ARG 205          1HH1      ARG 205  10.596  12.973   1.935
  620   HH12  ARG 205          2HH1      ARG 205  12.185  12.290   2.094
  621   HH21  ARG 205          1HH2      ARG 205  12.078  10.536  -0.940
  622   HH22  ARG 205          2HH2      ARG 205  13.020  10.912   0.483
  623    H    ASN 206           H        ASN 206   3.588  14.189   0.802
  624    HA   ASN 206           HA       ASN 206   4.218  16.808   1.970
  625    HB2  ASN 206           HB2      ASN 206   2.102  15.876   0.061
  626    HB3  ASN 206           HB1      ASN 206   1.830  17.317   1.037
  627   HD21  ASN 206          1HD2      ASN 206   3.700  15.899  -1.534
  628   HD22  ASN 206          2HD2      ASN 206   4.409  17.379  -2.092
  629    H    ASP 207           H        ASP 207   1.475  14.513   1.935
  630    HA   ASP 207           HA       ASP 207   1.076  14.985   4.784
  631    HB2  ASP 207           HB2      ASP 207  -1.067  15.485   2.699
  632    HB3  ASP 207           HB1      ASP 207  -1.358  15.410   4.431
  633    H    LYS 208           H        LYS 208   0.315  13.227   5.800
  634    HA   LYS 208           HA       LYS 208  -0.349  10.872   4.184
  635    HB2  LYS 208           HB2      LYS 208   0.532  11.259   7.029
  636    HB3  LYS 208           HB1      LYS 208  -0.298   9.783   6.564
  637    HG2  LYS 208           HG2      LYS 208   1.661   8.961   5.950
  638    HG3  LYS 208           HG1      LYS 208   1.684  10.134   4.636
  639    HD2  LYS 208           HD2      LYS 208   2.707  10.728   7.405
  640    HD3  LYS 208           HD1      LYS 208   3.727  10.091   6.117
  641    HE2  LYS 208           HE2      LYS 208   3.070  12.073   4.736
  642    HE3  LYS 208           HE1      LYS 208   2.259  12.723   6.160
  643    HZ1  LYS 208           HZ1      LYS 208   4.372  12.697   7.333
  644    HZ2  LYS 208           HZ2      LYS 208   4.493  13.623   5.915
  645    HZ3  LYS 208           HZ3      LYS 208   5.148  12.060   5.968
  646    H    ASN 209           H        ASN 209  -2.160  12.926   4.188
  647    HA   ASN 209           HA       ASN 209  -4.356  13.384   4.347
  648    HB2  ASN 209           HB2      ASN 209  -4.511  10.484   5.194
  649    HB3  ASN 209           HB1      ASN 209  -5.918  11.488   4.854
  650   HD21  ASN 209          1HD2      ASN 209  -6.345  12.099   2.727
  651   HD22  ASN 209          2HD2      ASN 209  -5.591  11.309   1.375
  652    H    LYS 210           H        LYS 210  -4.885  11.157   6.949
  653    HA   LYS 210           HA       LYS 210  -4.333  13.084   9.023
  654    HB2  LYS 210           HB2      LYS 210  -6.728  12.878   9.893
  655    HB3  LYS 210           HB1      LYS 210  -6.471  13.937   8.515
  656    HG2  LYS 210           HG2      LYS 210  -7.249  12.137   7.021
  657    HG3  LYS 210           HG1      LYS 210  -7.575  11.136   8.438
  658    HD2  LYS 210           HD2      LYS 210  -9.241  12.653   9.220
  659    HD3  LYS 210           HD1      LYS 210  -8.793  13.858   8.012
  660    HE2  LYS 210           HE2      LYS 210  -9.992  11.149   7.437
  661    HE3  LYS 210           HE1      LYS 210 -10.860  12.682   7.413
  662    HZ1  LYS 210           HZ1      LYS 210 -10.324  12.251   5.194
  663    HZ2  LYS 210           HZ2      LYS 210  -8.753  11.739   5.563
  664    HZ3  LYS 210           HZ3      LYS 210  -9.156  13.382   5.684
  665    H    SER 211           H        SER 211  -3.734  10.310   8.050
  666    HA   SER 211           HA       SER 211  -4.721   8.630  10.216
  667    HB2  SER 211           HB2      SER 211  -4.675   7.737   7.916
  668    HB3  SER 211           HB1      SER 211  -2.933   7.991   7.850
  669    HG   SER 211           HG       SER 211  -4.418   6.095   9.322
  670    H    ASP 212           H        ASP 212  -2.211  10.744   9.676
  671    HA   ASP 212           HA       ASP 212  -0.247   9.242  11.233
  672    HB2  ASP 212           HB2      ASP 212   1.353  10.899  10.556
  673    HB3  ASP 212           HB1      ASP 212   0.429  10.430   9.134
  674    H    LEU 213           H        LEU 213  -2.762  11.289  11.816
  675    HA   LEU 213           HA       LEU 213  -1.617  13.056  13.733
  676    HB2  LEU 213           HB2      LEU 213  -3.714  13.552  12.535
  677    HB3  LEU 213           HB1      LEU 213  -4.496  12.220  13.365
  678    HG   LEU 213           HG       LEU 213  -4.158  13.383  15.520
  679   HD11  LEU 213          1HD1      LEU 213  -2.175  14.669  14.940
  680   HD12  LEU 213          2HD1      LEU 213  -3.459  15.720  15.539
  681   HD13  LEU 213          3HD1      LEU 213  -3.120  15.638  13.810
  682   HD21  LEU 213          3HD2      LEU 213  -5.820  15.146  15.148
  683   HD22  LEU 213          1HD2      LEU 213  -6.252  13.649  14.321
  684   HD23  LEU 213          2HD2      LEU 213  -5.579  14.998  13.407
  685    H    LYS 214           H        LYS 214  -1.229  12.774  15.837
  686    HA   LYS 214           HA       LYS 214  -2.136  10.254  17.054
  687    HB2  LYS 214           HB2      LYS 214   0.210  10.079  16.492
  688    HB3  LYS 214           HB1      LYS 214   0.557  11.594  17.307
  689    HG2  LYS 214           HG2      LYS 214   1.266   9.713  18.651
  690    HG3  LYS 214           HG1      LYS 214  -0.046  10.582  19.449
  691    HD2  LYS 214           HD2      LYS 214  -0.311   8.141  19.605
  692    HD3  LYS 214           HD1      LYS 214  -1.639   8.902  18.727
  693    HE2  LYS 214           HE2      LYS 214  -0.756   8.189  16.628
  694    HE3  LYS 214           HE1      LYS 214   0.748   7.653  17.379
  695    HZ1  LYS 214           HZ1      LYS 214  -0.901   5.858  16.831
  696    HZ2  LYS 214           HZ2      LYS 214  -1.886   6.477  18.069
  697    HZ3  LYS 214           HZ3      LYS 214  -0.338   5.878  18.432
  698    H    ALA 215           H        ALA 215  -3.546  10.707  18.567
  699    HA   ALA 215           HA       ALA 215  -3.203  13.061  20.280
  700    HB1  ALA 215           HB1      ALA 215  -5.442  11.032  20.245
  701    HB2  ALA 215           HB2      ALA 215  -5.435  12.533  19.321
  702    HB3  ALA 215           HB3      ALA 215  -5.433  12.583  21.082
  703    H    ASP 216           H        ASP 216  -4.337  12.025  22.658
  704    HA   ASP 216           HA       ASP 216  -2.184  10.764  23.934
  705    HB2  ASP 216           HB2      ASP 216  -5.114  10.771  24.709
  706    HB3  ASP 216           HB1      ASP 216  -3.803  10.253  25.762
  707    H    SER 217           H        SER 217  -1.420   8.778  23.560
  708    HA   SER 217           HA       SER 217  -3.057   6.827  22.216
  709    HB2  SER 217           HB2      SER 217  -0.934   5.439  22.351
  710    HB3  SER 217           HB1      SER 217  -0.800   6.963  21.476
  711    HG   SER 217           HG       SER 217   0.347   6.170  23.877
  712    H    GLY 218           H        GLY 218  -1.788   7.315  25.458
  713    HA2  GLY 218           HA2      GLY 218  -3.751   5.662  26.620
  714    HA3  GLY 218           HA1      GLY 218  -2.248   4.760  26.500
  715    H    VAL 219           H        VAL 219  -0.449   5.414  27.700
  716    HA   VAL 219           HA       VAL 219   0.670   6.198  29.502
  717    HB   VAL 219           HB       VAL 219  -1.422   8.376  29.656
  718   HG11  VAL 219          1HG1      VAL 219  -0.294   8.082  31.776
  719   HG12  VAL 219          2HG1      VAL 219   0.275   9.563  31.004
  720   HG13  VAL 219          3HG1      VAL 219   1.277   8.111  30.977
  721   HG21  VAL 219          3HG2      VAL 219   1.331   8.395  28.415
  722   HG22  VAL 219          1HG2      VAL 219   0.253   9.783  28.556
  723   HG23  VAL 219          2HG2      VAL 219  -0.199   8.414  27.539
  724    H    HIS 220           H        HIS 220   0.648   4.946  31.195
  725    HA   HIS 220           HA       HIS 220  -1.916   4.216  32.410
  726    HB2  HIS 220           HB2      HIS 220   0.818   2.978  32.808
  727    HB3  HIS 220           HB1      HIS 220  -0.712   2.338  33.396
  728    HD1  HIS 220           HD1      HIS 220  -2.317   1.274  31.624
  729    HD2  HIS 220           HD2      HIS 220   1.405   2.427  30.159
  730    HE1  HIS 220           HE1      HIS 220  -2.093   0.163  29.376
  731    HE2  HIS 220           HE2      HIS 220   0.142   0.916  28.478
  732    H1   SER 454           HT1      SER 454  21.138   9.941  14.860
  733    H2   SER 454           HT2      SER 454  20.659   9.365  13.344
  734    H3   SER 454           HT3      SER 454  21.859  10.556  13.454
  735    HA   SER 454           HA       SER 454  23.284   8.976  14.649
  736    HB2  SER 454           HB2      SER 454  21.176   6.968  13.800
  737    HB3  SER 454           HB1      SER 454  22.668   6.623  14.677
  738    HG   SER 454           HG       SER 454  20.519   6.905  15.860
  739    H    ASN 455           H        ASN 455  24.812   7.729  13.408
  740    HA   ASN 455           HA       ASN 455  24.798   8.502  10.640
  741    HB2  ASN 455           HB2      ASN 455  27.030   7.541  10.521
  742    HB3  ASN 455           HB1      ASN 455  26.881   8.546  11.956
  743   HD21  ASN 455          1HD2      ASN 455  27.317   5.338  10.733
  744   HD22  ASN 455          2HD2      ASN 455  27.699   4.594  12.246
  745    H    ALA 456           H        ALA 456  23.978   5.637  12.410
  746    HA   ALA 456           HA       ALA 456  24.191   3.735  10.358
  747    HB1  ALA 456           HB1      ALA 456  22.608   2.406  11.630
  748    HB2  ALA 456           HB2      ALA 456  22.150   3.823  12.576
  749    HB3  ALA 456           HB3      ALA 456  23.779   3.158  12.713
  750    H    SER 457           H        SER 457  21.253   5.459  11.439
  751    HA   SER 457           HA       SER 457  20.037   4.979   8.839
  752    HB2  SER 457           HB2      SER 457  18.873   6.371  11.269
  753    HB3  SER 457           HB1      SER 457  17.987   5.858   9.833
  754    HG   SER 457           HG       SER 457  18.813   3.662  10.409
  755    H    LYS 458           H        LYS 458  21.620   6.333   7.751
  756    HA   LYS 458           HA       LYS 458  21.694   9.145   8.270
  757    HB2  LYS 458           HB2      LYS 458  23.124   9.325   6.345
  758    HB3  LYS 458           HB1      LYS 458  23.609   7.913   7.267
  759    HG2  LYS 458           HG2      LYS 458  21.883   7.803   4.801
  760    HG3  LYS 458           HG1      LYS 458  23.635   7.613   4.794
  761    HD2  LYS 458           HD2      LYS 458  23.331   5.691   6.384
  762    HD3  LYS 458           HD1      LYS 458  21.593   5.826   6.112
  763    HE2  LYS 458           HE2      LYS 458  22.344   4.146   4.636
  764    HE3  LYS 458           HE1      LYS 458  22.101   5.582   3.641
  765    HZ1  LYS 458           HZ1      LYS 458  24.711   4.633   4.702
  766    HZ2  LYS 458           HZ2      LYS 458  24.483   6.001   3.724
  767    HZ3  LYS 458           HZ3      LYS 458  24.176   4.453   3.105
  768    H    HIS 459           H        HIS 459  21.022  10.804   6.748
  769    HA   HIS 459           HA       HIS 459  18.404  10.089   5.623
  770    HB2  HIS 459           HB2      HIS 459  19.557  12.761   6.451
  771    HB3  HIS 459           HB1      HIS 459  17.983  12.559   5.692
  772    HD1  HIS 459           HD1      HIS 459  16.053  12.060   7.202
  773    HD2  HIS 459           HD2      HIS 459  19.726  11.547   9.090
  774    HE1  HIS 459           HE1      HIS 459  15.520  11.643   9.625
  775    HE2  HIS 459           HE2      HIS 459  17.759  11.542  10.775
  776    H    GLY 460           H        GLY 460  17.737  11.226   3.634
  777    HA2  GLY 460           HA2      GLY 460  19.269  12.638   1.883
  778    HA3  GLY 460           HA1      GLY 460  19.784  10.975   1.630
  779    H    VAL 461           H        VAL 461  18.809  11.968  -0.539
  780    HA   VAL 461           HA       VAL 461  16.028  10.997  -0.673
  781    HB   VAL 461           HB       VAL 461  15.655  12.547  -2.576
  782   HG11  VAL 461          1HG1      VAL 461  16.474  13.923  -0.018
  783   HG12  VAL 461          2HG1      VAL 461  14.925  13.127  -0.307
  784   HG13  VAL 461          3HG1      VAL 461  15.371  14.558  -1.238
  785   HG21  VAL 461          3HG2      VAL 461  17.190  14.410  -2.942
  786   HG22  VAL 461          1HG2      VAL 461  17.984  12.865  -3.251
  787   HG23  VAL 461          2HG2      VAL 461  18.304  13.738  -1.752
  788    H    GLY 462           H        GLY 462  15.408  10.147  -2.832
  789    HA2  GLY 462           HA2      GLY 462  15.978   9.198  -4.932
  790    HA3  GLY 462           HA1      GLY 462  17.674   9.244  -4.465
  791    H    THR 463           H        THR 463  15.809   8.152  -1.932
  792    HA   THR 463           HA       THR 463  16.780   5.440  -2.349
  793    HB   THR 463           HB       THR 463  17.250   6.389  -0.176
  794    HG1  THR 463           HG1      THR 463  16.202   4.089  -0.525
  795   HG21  THR 463          3HG2      THR 463  14.264   6.723   0.123
  796   HG22  THR 463          1HG2      THR 463  15.447   8.020  -0.047
  797   HG23  THR 463          2HG2      THR 463  15.458   7.001   1.392
  798    H    GLU 464           H        GLU 464  13.869   7.252  -2.565
  799    HA   GLU 464           HA       GLU 464  11.997   5.183  -2.148
  800    HB2  GLU 464           HB2      GLU 464  10.536   6.630  -3.714
  801    HB3  GLU 464           HB1      GLU 464  11.033   7.298  -2.168
  802    HG2  GLU 464           HG2      GLU 464  12.729   7.856  -4.543
  803    HG3  GLU 464           HG1      GLU 464  11.179   8.686  -4.405
  804    H    SER 465           H        SER 465  13.778   6.217  -5.011
  805    HA   SER 465           HA       SER 465  12.559   4.573  -6.906
  806    HB2  SER 465           HB2      SER 465  15.497   5.286  -6.805
  807    HB3  SER 465           HB1      SER 465  14.528   4.937  -8.238
  808    HG   SER 465           HG       SER 465  14.183   7.004  -8.292
  809    H    LEU 466           H        LEU 466  15.271   3.972  -4.726
  810    HA   LEU 466           HA       LEU 466  15.913   1.373  -5.535
  811    HB2  LEU 466           HB2      LEU 466  17.237   2.879  -4.016
  812    HB3  LEU 466           HB1      LEU 466  16.095   2.510  -2.743
  813    HG   LEU 466           HG       LEU 466  17.644   0.314  -4.094
  814   HD11  LEU 466          1HD1      LEU 466  19.302   0.512  -2.289
  815   HD12  LEU 466          2HD1      LEU 466  18.522   2.001  -1.753
  816   HD13  LEU 466          3HD1      LEU 466  19.293   1.930  -3.338
  817   HD21  LEU 466          3HD2      LEU 466  17.289  -0.814  -1.955
  818   HD22  LEU 466          1HD2      LEU 466  15.756  -0.317  -2.671
  819   HD23  LEU 466          2HD2      LEU 466  16.448   0.607  -1.338
  820    H    PHE 467           H        PHE 467  13.727   2.515  -2.971
  821    HA   PHE 467           HA       PHE 467  12.817   0.095  -2.015
  822    HB2  PHE 467           HB2      PHE 467  12.219   2.140  -0.909
  823    HB3  PHE 467           HB1      PHE 467  11.358   2.720  -2.330
  824    HD1  PHE 467           HD2      PHE 467  11.316  -0.054   0.151
  825    HD2  PHE 467           HD1      PHE 467   9.080   2.434  -2.477
  826    HE1  PHE 467           HE2      PHE 467   9.226  -1.023   1.020
  827    HE2  PHE 467           HE1      PHE 467   6.987   1.473  -1.617
  828    HZ   PHE 467           HZ       PHE 467   7.058  -0.259   0.133
  829    H    PHE 468           H        PHE 468  11.387   1.987  -4.695
  830    HA   PHE 468           HA       PHE 468   9.296   0.098  -5.073
  831    HB2  PHE 468           HB2      PHE 468  10.250   2.423  -6.731
  832    HB3  PHE 468           HB1      PHE 468   8.897   1.405  -7.220
  833    HD1  PHE 468           HD1      PHE 468   7.024   1.094  -5.451
  834    HD2  PHE 468           HD2      PHE 468   9.852   4.266  -5.401
  835    HE1  PHE 468           HE1      PHE 468   5.510   2.414  -4.035
  836    HE2  PHE 468           HE2      PHE 468   8.344   5.595  -3.986
  837    HZ   PHE 468           HZ       PHE 468   6.168   4.668  -3.299
  838    H    ASP 469           H        ASP 469  12.490   0.446  -6.476
  839    HA   ASP 469           HA       ASP 469  12.085  -1.436  -8.574
  840    HB2  ASP 469           HB2      ASP 469  14.039   0.156  -8.408
  841    HB3  ASP 469           HB1      ASP 469  14.693  -0.879  -7.140
  842    H    LYS 470           H        LYS 470  13.235  -1.672  -5.248
  843    HA   LYS 470           HA       LYS 470  13.585  -4.430  -5.073
  844    HB2  LYS 470           HB2      LYS 470  13.129  -2.218  -3.202
  845    HB3  LYS 470           HB1      LYS 470  12.527  -3.763  -2.622
  846    HG2  LYS 470           HG2      LYS 470  14.850  -3.199  -1.916
  847    HG3  LYS 470           HG1      LYS 470  14.685  -4.746  -2.746
  848    HD2  LYS 470           HD2      LYS 470  15.553  -3.818  -4.772
  849    HD3  LYS 470           HD1      LYS 470  15.537  -2.190  -4.093
  850    HE2  LYS 470           HE2      LYS 470  17.791  -3.177  -4.125
  851    HE3  LYS 470           HE1      LYS 470  17.244  -2.797  -2.496
  852    HZ1  LYS 470           HZ1      LYS 470  17.371  -5.478  -3.770
  853    HZ2  LYS 470           HZ2      LYS 470  16.600  -5.187  -2.293
  854    HZ3  LYS 470           HZ3      LYS 470  18.268  -4.924  -2.441
  855    H    VAL 471           H        VAL 471  10.646  -2.502  -4.436
  856    HA   VAL 471           HA       VAL 471   8.897  -4.580  -3.843
  857    HB   VAL 471           HB       VAL 471   8.273  -2.020  -5.329
  858   HG11  VAL 471          1HG1      VAL 471   6.428  -3.915  -3.880
  859   HG12  VAL 471          2HG1      VAL 471   6.490  -3.653  -5.622
  860   HG13  VAL 471          3HG1      VAL 471   5.969  -2.350  -4.553
  861   HG21  VAL 471          3HG2      VAL 471   8.127  -2.694  -2.393
  862   HG22  VAL 471          1HG2      VAL 471   7.588  -1.183  -3.124
  863   HG23  VAL 471          2HG2      VAL 471   9.296  -1.619  -3.158
  864    H    ARG 472           H        ARG 472   9.804  -3.257  -6.992
  865    HA   ARG 472           HA       ARG 472   8.133  -4.702  -8.661
  866    HB2  ARG 472           HB2      ARG 472  10.665  -3.260  -8.876
  867    HB3  ARG 472           HB1      ARG 472  10.525  -4.567 -10.033
  868    HG2  ARG 472           HG2      ARG 472   8.479  -2.391  -9.680
  869    HG3  ARG 472           HG1      ARG 472   9.768  -2.372 -10.887
  870    HD2  ARG 472           HD2      ARG 472   8.887  -4.519 -11.773
  871    HD3  ARG 472           HD1      ARG 472   7.538  -4.384 -10.646
  872    HE   ARG 472           HE       ARG 472   7.512  -2.019 -12.035
  873   HH11  ARG 472          1HH1      ARG 472   7.382  -5.412 -12.909
  874   HH12  ARG 472          2HH1      ARG 472   6.452  -5.138 -14.351
  875   HH21  ARG 472          1HH2      ARG 472   6.299  -1.649 -13.893
  876   HH22  ARG 472          2HH2      ARG 472   5.824  -2.980 -14.916
  877    H    LYS 473           H        LYS 473  11.379  -5.559  -7.511
  878    HA   LYS 473           HA       LYS 473  11.357  -8.105  -8.848
  879    HB2  LYS 473           HB2      LYS 473  13.405  -6.770  -8.524
  880    HB3  LYS 473           HB1      LYS 473  13.260  -6.980  -6.786
  881    HG2  LYS 473           HG2      LYS 473  13.530  -9.400  -7.071
  882    HG3  LYS 473           HG1      LYS 473  13.729  -9.157  -8.809
  883    HD2  LYS 473           HD2      LYS 473  15.679  -7.709  -8.345
  884    HD3  LYS 473           HD1      LYS 473  15.501  -8.061  -6.626
  885    HE2  LYS 473           HE2      LYS 473  17.224  -9.457  -7.654
  886    HE3  LYS 473           HE1      LYS 473  15.878 -10.425  -7.053
  887    HZ1  LYS 473           HZ1      LYS 473  15.087 -10.778  -9.220
  888    HZ2  LYS 473           HZ2      LYS 473  16.770 -10.997  -9.330
  889    HZ3  LYS 473           HZ3      LYS 473  16.063  -9.557  -9.879
  890    H    ALA 474           H        ALA 474  10.686  -6.957  -5.620
  891    HA   ALA 474           HA       ALA 474  11.027  -9.432  -4.277
  892    HB1  ALA 474           HB1      ALA 474  10.010  -8.310  -2.376
  893    HB2  ALA 474           HB2      ALA 474   9.481  -6.993  -3.422
  894    HB3  ALA 474           HB3      ALA 474  11.202  -7.270  -3.157
  895    H    LEU 475           H        LEU 475   8.150  -7.710  -5.450
  896    HA   LEU 475           HA       LEU 475   6.324  -9.629  -4.414
  897    HB2  LEU 475           HB2      LEU 475   6.114  -7.293  -6.250
  898    HB3  LEU 475           HB1      LEU 475   4.808  -8.463  -6.254
  899    HG   LEU 475           HG       LEU 475   4.411  -8.087  -3.882
  900   HD11  LEU 475          1HD1      LEU 475   6.674  -6.107  -4.042
  901   HD12  LEU 475          2HD1      LEU 475   6.670  -7.622  -3.138
  902   HD13  LEU 475          3HD1      LEU 475   5.585  -6.311  -2.669
  903   HD21  LEU 475          3HD2      LEU 475   4.585  -5.513  -5.438
  904   HD22  LEU 475          1HD2      LEU 475   3.623  -5.770  -3.982
  905   HD23  LEU 475          2HD2      LEU 475   3.244  -6.657  -5.458
  906    H    ARG 476           H        ARG 476   8.033  -9.258  -7.426
  907    HA   ARG 476           HA       ARG 476   8.574 -10.736  -9.048
  908    HB2  ARG 476           HB2      ARG 476   7.157 -12.826  -7.384
  909    HB3  ARG 476           HB1      ARG 476   8.301 -13.123  -8.687
  910    HG2  ARG 476           HG2      ARG 476  10.059 -12.015  -7.367
  911    HG3  ARG 476           HG1      ARG 476   8.906 -11.789  -6.052
  912    HD2  ARG 476           HD2      ARG 476   9.999 -13.703  -5.389
  913    HD3  ARG 476           HD1      ARG 476   8.610 -14.371  -6.243
  914    HE   ARG 476           HE       ARG 476  10.232 -14.505  -8.212
  915   HH11  ARG 476          1HH1      ARG 476  11.089 -14.971  -4.840
  916   HH12  ARG 476          2HH1      ARG 476  12.563 -15.833  -5.199
  917   HH21  ARG 476          1HH2      ARG 476  12.152 -15.689  -8.684
  918   HH22  ARG 476          2HH2      ARG 476  13.167 -16.233  -7.377
  919    H    SER 477           H        SER 477   5.271 -11.391  -7.923
  920    HA   SER 477           HA       SER 477   4.366 -12.107 -10.554
  921    HB2  SER 477           HB2      SER 477   3.361 -13.212  -8.661
  922    HB3  SER 477           HB1      SER 477   2.911 -11.671  -7.933
  923    HG   SER 477           HG       SER 477   1.464 -13.146  -9.540
  924    H    ALA 478           H        ALA 478   3.259 -10.894 -11.990
  925    HA   ALA 478           HA       ALA 478   3.408  -8.072 -11.859
  926    HB1  ALA 478           HB1      ALA 478   1.734  -9.806 -13.678
  927    HB2  ALA 478           HB2      ALA 478   3.397  -9.298 -13.978
  928    HB3  ALA 478           HB3      ALA 478   2.105  -8.098 -13.926
  929    H    GLU 479           H        GLU 479   0.831 -10.381 -11.193
  930    HA   GLU 479           HA       GLU 479  -1.276  -8.512 -10.909
  931    HB2  GLU 479           HB2      GLU 479  -1.296 -11.130 -11.101
  932    HB3  GLU 479           HB1      GLU 479  -1.153 -11.081  -9.354
  933    HG2  GLU 479           HG2      GLU 479  -3.342  -9.686 -10.865
  934    HG3  GLU 479           HG1      GLU 479  -3.474 -11.340 -10.281
  935    H    ALA 480           H        ALA 480   1.110  -9.858  -8.715
  936    HA   ALA 480           HA       ALA 480   0.094  -8.760  -6.320
  937    HB1  ALA 480           HB1      ALA 480   2.261  -9.288  -5.366
  938    HB2  ALA 480           HB2      ALA 480   2.939  -9.512  -6.978
  939    HB3  ALA 480           HB3      ALA 480   1.701 -10.617  -6.381
  940    H    TYR 481           H        TYR 481   2.623  -7.643  -8.566
  941    HA   TYR 481           HA       TYR 481   3.226  -5.288  -7.117
  942    HB2  TYR 481           HB2      TYR 481   4.795  -6.154  -8.768
  943    HB3  TYR 481           HB1      TYR 481   3.623  -5.891 -10.057
  944    HD1  TYR 481           HD2      TYR 481   5.758  -4.163  -7.570
  945    HD2  TYR 481           HD1      TYR 481   3.398  -3.768 -11.087
  946    HE1  TYR 481           HE2      TYR 481   6.591  -1.868  -7.866
  947    HE2  TYR 481           HE1      TYR 481   4.216  -1.472 -11.389
  948    HH   TYR 481           HH       TYR 481   6.872  -0.238  -9.782
  949    H    GLU 482           H        GLU 482   1.047  -5.931  -9.830
  950    HA   GLU 482           HA       GLU 482   0.115  -3.322 -10.230
  951    HB2  GLU 482           HB2      GLU 482  -0.337  -5.294 -11.708
  952    HB3  GLU 482           HB1      GLU 482  -1.477  -5.877 -10.506
  953    HG2  GLU 482           HG2      GLU 482  -2.835  -3.880 -10.809
  954    HG3  GLU 482           HG1      GLU 482  -1.686  -3.273 -12.000
  955    H    ASN 483           H        ASN 483  -0.925  -5.869  -8.043
  956    HA   ASN 483           HA       ASN 483  -3.157  -4.671  -6.912
  957    HB2  ASN 483           HB2      ASN 483  -2.219  -7.036  -6.603
  958    HB3  ASN 483           HB1      ASN 483  -1.177  -6.334  -5.373
  959   HD21  ASN 483          1HD2      ASN 483  -2.131  -5.381  -3.543
  960   HD22  ASN 483          2HD2      ASN 483  -3.702  -5.868  -3.027
  961    H    PHE 484           H        PHE 484   0.233  -4.569  -5.853
  962    HA   PHE 484           HA       PHE 484   0.067  -2.843  -3.712
  963    HB2  PHE 484           HB2      PHE 484   2.147  -3.900  -4.267
  964    HB3  PHE 484           HB1      PHE 484   2.193  -3.124  -5.843
  965    HD1  PHE 484           HD2      PHE 484   2.355  -2.431  -2.206
  966    HD2  PHE 484           HD1      PHE 484   3.282  -1.094  -6.143
  967    HE1  PHE 484           HE2      PHE 484   3.714  -0.609  -1.263
  968    HE2  PHE 484           HE1      PHE 484   4.647   0.725  -5.204
  969    HZ   PHE 484           HZ       PHE 484   4.862   0.972  -2.764
  970    H    LEU 485           H        LEU 485   0.444  -1.972  -7.141
  971    HA   LEU 485           HA       LEU 485   0.454   0.811  -6.733
  972    HB2  LEU 485           HB2      LEU 485  -0.354  -0.791  -9.155
  973    HB3  LEU 485           HB1      LEU 485  -0.138   0.947  -9.148
  974    HG   LEU 485           HG       LEU 485   2.001  -1.128  -8.671
  975   HD11  LEU 485          1HD1      LEU 485   1.355  -0.909 -10.998
  976   HD12  LEU 485          2HD1      LEU 485   2.949  -0.201 -10.732
  977   HD13  LEU 485          3HD1      LEU 485   1.540   0.842 -10.904
  978   HD21  LEU 485          3HD2      LEU 485   2.194   1.881  -8.653
  979   HD22  LEU 485          1HD2      LEU 485   3.551   0.759  -8.568
  980   HD23  LEU 485          2HD2      LEU 485   2.375   0.821  -7.255
  981    H    ARG 486           H        ARG 486  -2.187  -1.481  -7.184
  982    HA   ARG 486           HA       ARG 486  -4.224   0.454  -7.498
  983    HB2  ARG 486           HB2      ARG 486  -4.452  -2.325  -6.347
  984    HB3  ARG 486           HB1      ARG 486  -5.790  -1.323  -6.888
  985    HG2  ARG 486           HG2      ARG 486  -4.822  -1.352  -9.170
  986    HG3  ARG 486           HG1      ARG 486  -3.599  -2.486  -8.585
  987    HD2  ARG 486           HD2      ARG 486  -5.815  -3.703  -7.696
  988    HD3  ARG 486           HD1      ARG 486  -6.474  -2.889  -9.114
  989    HE   ARG 486           HE       ARG 486  -4.812  -4.079 -10.445
  990   HH11  ARG 486          1HH1      ARG 486  -5.462  -5.205  -7.199
  991   HH12  ARG 486          2HH1      ARG 486  -4.866  -6.812  -7.498
  992   HH21  ARG 486          1HH2      ARG 486  -4.033  -6.197 -10.856
  993   HH22  ARG 486          2HH2      ARG 486  -4.063  -7.387  -9.568
  994    H    CYS 487           H        CYS 487  -2.781  -1.083  -4.660
  995    HA   CYS 487           HA       CYS 487  -4.475   0.039  -2.719
  996    HB2  CYS 487           HB2      CYS 487  -1.511  -0.524  -2.449
  997    HB3  CYS 487           HB1      CYS 487  -2.685  -0.403  -1.140
  998    HG   CYS 487           HG       CYS 487  -2.858  -2.821  -3.554
  999    H    LEU 488           H        LEU 488  -1.682   1.285  -4.443
 1000    HA   LEU 488           HA       LEU 488  -1.316   3.634  -2.927
 1001    HB2  LEU 488           HB2      LEU 488  -0.659   3.094  -5.816
 1002    HB3  LEU 488           HB1      LEU 488  -0.050   4.432  -4.870
 1003    HG   LEU 488           HG       LEU 488   0.564   1.512  -4.471
 1004   HD11  LEU 488          1HD1      LEU 488   2.827   2.167  -5.018
 1005   HD12  LEU 488          2HD1      LEU 488   2.326   3.850  -5.184
 1006   HD13  LEU 488          3HD1      LEU 488   1.728   2.636  -6.319
 1007   HD21  LEU 488          3HD2      LEU 488   1.390   3.896  -2.821
 1008   HD22  LEU 488          1HD2      LEU 488   2.044   2.263  -2.654
 1009   HD23  LEU 488          2HD2      LEU 488   0.343   2.572  -2.305
 1010    H    VAL 489           H        VAL 489  -3.133   3.036  -5.945
 1011    HA   VAL 489           HA       VAL 489  -3.848   5.744  -6.299
 1012    HB   VAL 489           HB       VAL 489  -5.612   4.914  -7.860
 1013   HG11  VAL 489          1HG1      VAL 489  -4.004   4.026  -9.514
 1014   HG12  VAL 489          2HG1      VAL 489  -2.808   3.867  -8.226
 1015   HG13  VAL 489          3HG1      VAL 489  -3.412   5.461  -8.678
 1016   HG21  VAL 489          3HG2      VAL 489  -5.463   2.488  -8.487
 1017   HG22  VAL 489          1HG2      VAL 489  -6.206   2.817  -6.920
 1018   HG23  VAL 489          2HG2      VAL 489  -4.543   2.241  -6.999
 1019    H    ILE 490           H        ILE 490  -5.586   3.047  -4.741
 1020    HA   ILE 490           HA       ILE 490  -7.905   4.612  -4.242
 1021    HB   ILE 490           HB       ILE 490  -8.548   2.883  -2.590
 1022   HG12  ILE 490          2HG1      ILE 490  -5.899   1.626  -3.336
 1023   HG13  ILE 490          1HG1      ILE 490  -6.342   2.252  -1.752
 1024   HG21  ILE 490          1HG2      ILE 490  -9.152   2.635  -4.917
 1025   HG22  ILE 490          2HG2      ILE 490  -8.793   1.062  -4.209
 1026   HG23  ILE 490          3HG2      ILE 490  -7.612   1.845  -5.259
 1027   HD11  ILE 490          3HD1      ILE 490  -6.505  -0.137  -1.727
 1028   HD12  ILE 490          1HD1      ILE 490  -7.538  -0.126  -3.157
 1029   HD13  ILE 490          2HD1      ILE 490  -8.132   0.543  -1.634
 1030    H    PHE 491           H        PHE 491  -4.912   4.094  -2.463
 1031    HA   PHE 491           HA       PHE 491  -5.618   5.493  -0.120
 1032    HB2  PHE 491           HB2      PHE 491  -3.573   4.222  -0.170
 1033    HB3  PHE 491           HB1      PHE 491  -2.957   5.158  -1.527
 1034    HD1  PHE 491           HD2      PHE 491  -3.882   5.387   2.058
 1035    HD2  PHE 491           HD1      PHE 491  -1.702   7.084  -1.178
 1036    HE1  PHE 491           HE2      PHE 491  -2.759   6.920   3.622
 1037    HE2  PHE 491           HE1      PHE 491  -0.579   8.621   0.376
 1038    HZ   PHE 491           HZ       PHE 491  -1.106   8.543   2.779
 1039    H    ASN 492           H        ASN 492  -4.385   6.560  -3.238
 1040    HA   ASN 492           HA       ASN 492  -3.990   9.277  -2.554
 1041    HB2  ASN 492           HB2      ASN 492  -2.989   8.116  -4.535
 1042    HB3  ASN 492           HB1      ASN 492  -4.580   8.115  -5.287
 1043   HD21  ASN 492          1HD2      ASN 492  -5.445  10.050  -6.046
 1044   HD22  ASN 492          2HD2      ASN 492  -4.471  11.461  -6.272
 1045    H    GLN 493           H        GLN 493  -6.782   7.455  -3.602
 1046    HA   GLN 493           HA       GLN 493  -8.347   9.855  -4.119
 1047    HB2  GLN 493           HB2      GLN 493  -9.220   6.965  -4.191
 1048    HB3  GLN 493           HB1      GLN 493 -10.094   8.343  -4.845
 1049    HG2  GLN 493           HG2      GLN 493  -8.276   8.699  -6.460
 1050    HG3  GLN 493           HG1      GLN 493  -7.464   7.266  -5.827
 1051   HE21  GLN 493          1HE2      GLN 493  -8.369   7.733  -8.509
 1052   HE22  GLN 493          2HE2      GLN 493  -9.527   6.493  -8.868
 1053    H    GLU 494           H        GLU 494  -7.378   8.742  -1.374
 1054    HA   GLU 494           HA       GLU 494  -8.057   8.977   0.774
 1055    HB2  GLU 494           HB2      GLU 494 -10.566  10.134  -0.440
 1056    HB3  GLU 494           HB1      GLU 494 -10.197  10.130   1.277
 1057    HG2  GLU 494           HG2      GLU 494  -8.162  11.466   0.778
 1058    HG3  GLU 494           HG1      GLU 494  -8.704  11.571  -0.898
 1059    H    VAL 495           H        VAL 495  -9.040   6.698  -1.149
 1060    HA   VAL 495           HA       VAL 495 -11.417   5.693   0.052
 1061    HB   VAL 495           HB       VAL 495  -9.321   4.238  -1.578
 1062   HG11  VAL 495          1HG1      VAL 495 -11.121   2.584  -1.977
 1063   HG12  VAL 495          2HG1      VAL 495 -12.111   3.420  -0.780
 1064   HG13  VAL 495          3HG1      VAL 495 -10.599   2.651  -0.294
 1065   HG21  VAL 495          3HG2      VAL 495 -10.840   4.541  -3.455
 1066   HG22  VAL 495          1HG2      VAL 495 -10.407   6.106  -2.766
 1067   HG23  VAL 495          2HG2      VAL 495 -11.983   5.395  -2.419
 1068    H    ILE 496           H        ILE 496  -8.018   4.628   0.273
 1069    HA   ILE 496           HA       ILE 496  -8.646   3.534   2.937
 1070    HB   ILE 496           HB       ILE 496  -6.725   2.064   2.736
 1071   HG12  ILE 496          2HG1      ILE 496  -6.354   3.133  -0.069
 1072   HG13  ILE 496          1HG1      ILE 496  -5.372   3.625   1.309
 1073   HG21  ILE 496          1HG2      ILE 496  -7.505   0.589   0.955
 1074   HG22  ILE 496          2HG2      ILE 496  -8.464   1.905   0.278
 1075   HG23  ILE 496          3HG2      ILE 496  -8.857   1.256   1.872
 1076   HD11  ILE 496          3HD1      ILE 496  -4.207   1.968   0.021
 1077   HD12  ILE 496          1HD1      ILE 496  -5.575   0.861   0.139
 1078   HD13  ILE 496          2HD1      ILE 496  -4.657   1.284   1.584
 1079    H    SER 497           H        SER 497  -7.132   3.931   4.631
 1080    HA   SER 497           HA       SER 497  -5.554   6.361   4.171
 1081    HB2  SER 497           HB2      SER 497  -6.535   5.126   6.752
 1082    HB3  SER 497           HB1      SER 497  -5.594   6.614   6.635
 1083    HG   SER 497           HG       SER 497  -8.029   6.278   5.245
 1084    H    ARG 498           H        ARG 498  -3.695   6.347   6.063
 1085    HA   ARG 498           HA       ARG 498  -1.656   4.835   4.933
 1086    HB2  ARG 498           HB2      ARG 498  -1.296   6.911   6.205
 1087    HB3  ARG 498           HB1      ARG 498  -1.730   6.076   7.683
 1088    HG2  ARG 498           HG2      ARG 498   0.207   4.565   7.362
 1089    HG3  ARG 498           HG1      ARG 498   0.653   5.525   5.946
 1090    HD2  ARG 498           HD2      ARG 498   1.934   6.203   7.910
 1091    HD3  ARG 498           HD1      ARG 498   0.900   7.507   7.332
 1092    HE   ARG 498           HE       ARG 498  -0.603   6.313   9.247
 1093   HH11  ARG 498          1HH1      ARG 498   2.632   7.639   9.148
 1094   HH12  ARG 498          2HH1      ARG 498   2.654   8.053  10.835
 1095   HH21  ARG 498          1HH2      ARG 498  -0.589   6.906  11.478
 1096   HH22  ARG 498          2HH2      ARG 498   0.822   7.669  12.150
 1097    H    ALA 499           H        ALA 499  -3.481   4.246   7.930
 1098    HA   ALA 499           HA       ALA 499  -1.991   2.061   8.843
 1099    HB1  ALA 499           HB1      ALA 499  -3.924   1.513  10.224
 1100    HB2  ALA 499           HB2      ALA 499  -4.932   2.592   9.261
 1101    HB3  ALA 499           HB3      ALA 499  -3.618   3.250  10.237
 1102    H    GLU 500           H        GLU 500  -4.995   2.102   6.924
 1103    HA   GLU 500           HA       GLU 500  -5.191  -0.665   6.575
 1104    HB2  GLU 500           HB2      GLU 500  -6.104   1.477   4.652
 1105    HB3  GLU 500           HB1      GLU 500  -6.678  -0.183   4.706
 1106    HG2  GLU 500           HG2      GLU 500  -8.354   0.760   5.870
 1107    HG3  GLU 500           HG1      GLU 500  -7.236   0.535   7.215
 1108    H    LEU 501           H        LEU 501  -3.587   1.786   4.580
 1109    HA   LEU 501           HA       LEU 501  -2.793   0.178   2.449
 1110    HB2  LEU 501           HB2      LEU 501  -2.595   2.606   2.441
 1111    HB3  LEU 501           HB1      LEU 501  -1.378   2.534   3.698
 1112    HG   LEU 501           HG       LEU 501   0.142   1.362   2.134
 1113   HD11  LEU 501          1HD1      LEU 501  -2.001   1.932   0.096
 1114   HD12  LEU 501          2HD1      LEU 501  -1.558   0.339   0.707
 1115   HD13  LEU 501          3HD1      LEU 501  -0.397   1.278  -0.233
 1116   HD21  LEU 501          3HD2      LEU 501   0.288   3.771   2.391
 1117   HD22  LEU 501          1HD2      LEU 501  -0.948   3.994   1.153
 1118   HD23  LEU 501          2HD2      LEU 501   0.617   3.308   0.721
 1119    H    VAL 502           H        VAL 502  -1.115   0.871   5.488
 1120    HA   VAL 502           HA       VAL 502   1.211  -0.621   4.958
 1121    HB   VAL 502           HB       VAL 502  -0.057   0.084   7.615
 1122   HG11  VAL 502          1HG1      VAL 502   1.526  -1.718   7.927
 1123   HG12  VAL 502          2HG1      VAL 502   2.193  -0.209   8.553
 1124   HG13  VAL 502          3HG1      VAL 502   2.742  -0.839   6.999
 1125   HG21  VAL 502          3HG2      VAL 502   1.591   1.910   7.637
 1126   HG22  VAL 502          1HG2      VAL 502   0.456   2.046   6.294
 1127   HG23  VAL 502          2HG2      VAL 502   2.094   1.456   6.007
 1128    H    GLN 503           H        GLN 503  -1.912  -1.514   6.321
 1129    HA   GLN 503           HA       GLN 503  -1.057  -4.143   7.103
 1130    HB2  GLN 503           HB2      GLN 503  -3.805  -2.922   6.846
 1131    HB3  GLN 503           HB1      GLN 503  -3.498  -4.536   7.476
 1132    HG2  GLN 503           HG2      GLN 503  -2.094  -3.525   9.247
 1133    HG3  GLN 503           HG1      GLN 503  -2.550  -1.932   8.650
 1134   HE21  GLN 503          1HE2      GLN 503  -3.649  -4.826  10.230
 1135   HE22  GLN 503          2HE2      GLN 503  -5.108  -4.153  10.877
 1136    H    LEU 504           H        LEU 504  -2.462  -2.745   4.237
 1137    HA   LEU 504           HA       LEU 504  -3.448  -5.177   3.135
 1138    HB2  LEU 504           HB2      LEU 504  -2.791  -2.516   1.892
 1139    HB3  LEU 504           HB1      LEU 504  -3.495  -3.851   0.998
 1140    HG   LEU 504           HG       LEU 504  -4.761  -2.493   3.374
 1141   HD11  LEU 504          1HD1      LEU 504  -5.425  -2.341   0.442
 1142   HD12  LEU 504          2HD1      LEU 504  -4.673  -1.064   1.396
 1143   HD13  LEU 504          3HD1      LEU 504  -6.322  -1.576   1.754
 1144   HD21  LEU 504          3HD2      LEU 504  -6.725  -3.811   2.776
 1145   HD22  LEU 504          1HD2      LEU 504  -5.356  -4.849   3.176
 1146   HD23  LEU 504          2HD2      LEU 504  -5.806  -4.595   1.489
 1147    H    VAL 505           H        VAL 505  -0.425  -3.400   2.796
 1148    HA   VAL 505           HA       VAL 505   0.526  -5.218   0.756
 1149    HB   VAL 505           HB       VAL 505   1.043  -2.725   0.877
 1150   HG11  VAL 505          1HG1      VAL 505   3.032  -3.668   2.930
 1151   HG12  VAL 505          2HG1      VAL 505   1.670  -2.582   3.210
 1152   HG13  VAL 505          3HG1      VAL 505   3.008  -2.074   2.180
 1153   HG21  VAL 505          3HG2      VAL 505   2.144  -4.178  -0.707
 1154   HG22  VAL 505          1HG2      VAL 505   3.300  -4.693   0.524
 1155   HG23  VAL 505          2HG2      VAL 505   3.309  -3.026  -0.052
 1156    H    SER 506           H        SER 506   0.067  -5.714   3.865
 1157    HA   SER 506           HA       SER 506   2.493  -6.524   4.971
 1158    HB2  SER 506           HB2      SER 506   0.415  -6.261   6.280
 1159    HB3  SER 506           HB1      SER 506  -0.246  -7.699   5.503
 1160    HG   SER 506           HG       SER 506   0.638  -8.659   7.166
 1161    HA   PRO 507           HA       PRO 507   1.692 -11.021   3.268
 1162    HB2  PRO 507           HB2      PRO 507  -0.120 -10.566   0.990
 1163    HB3  PRO 507           HB1      PRO 507  -0.177 -11.810   2.241
 1164    HG2  PRO 507           HG2      PRO 507  -1.945  -9.802   2.185
 1165    HG3  PRO 507           HG1      PRO 507  -1.336 -10.461   3.715
 1166    HD2  PRO 507           HD2      PRO 507  -0.541  -7.952   2.281
 1167    HD3  PRO 507           HD1      PRO 507  -0.804  -8.221   4.017
 1168    H    PHE 508           H        PHE 508   2.354  -8.154   1.709
 1169    HA   PHE 508           HA       PHE 508   3.542  -9.491  -0.622
 1170    HB2  PHE 508           HB2      PHE 508   2.661  -6.620  -0.252
 1171    HB3  PHE 508           HB1      PHE 508   3.485  -7.231  -1.684
 1172    HD1  PHE 508           HD2      PHE 508   0.346  -7.300   0.242
 1173    HD2  PHE 508           HD1      PHE 508   2.348  -8.577  -3.292
 1174    HE1  PHE 508           HE2      PHE 508  -1.827  -7.966  -0.741
 1175    HE2  PHE 508           HE1      PHE 508   0.196  -9.245  -4.272
 1176    HZ   PHE 508           HZ       PHE 508  -1.884  -8.942  -3.002
 1177    H    LEU 509           H        LEU 509   4.181  -6.784   1.641
 1178    HA   LEU 509           HA       LEU 509   7.040  -7.096   1.017
 1179    HB2  LEU 509           HB2      LEU 509   5.517  -4.748   2.136
 1180    HB3  LEU 509           HB1      LEU 509   7.265  -4.807   2.016
 1181    HG   LEU 509           HG       LEU 509   5.341  -4.925  -0.307
 1182   HD11  LEU 509          1HD1      LEU 509   6.190  -2.717  -0.854
 1183   HD12  LEU 509          2HD1      LEU 509   7.214  -2.736   0.581
 1184   HD13  LEU 509          3HD1      LEU 509   5.458  -2.721   0.751
 1185   HD21  LEU 509          3HD2      LEU 509   8.356  -4.863  -0.243
 1186   HD22  LEU 509          1HD2      LEU 509   7.358  -4.718  -1.692
 1187   HD23  LEU 509          2HD2      LEU 509   7.348  -6.215  -0.759
 1188    H    GLY 510           H        GLY 510   4.828  -7.899   3.363
 1189    HA2  GLY 510           HA2      GLY 510   6.298  -7.332   5.736
 1190    HA3  GLY 510           HA1      GLY 510   4.985  -8.492   5.586
 1191    H    LYS 511           H        LYS 511   6.676  -9.642   3.290
 1192    HA   LYS 511           HA       LYS 511   8.138 -11.541   4.906
 1193    HB2  LYS 511           HB2      LYS 511   8.578 -12.656   2.692
 1194    HB3  LYS 511           HB1      LYS 511   6.880 -12.491   3.117
 1195    HG2  LYS 511           HG2      LYS 511   6.866 -10.409   1.680
 1196    HG3  LYS 511           HG1      LYS 511   8.450 -10.916   1.102
 1197    HD2  LYS 511           HD2      LYS 511   6.219 -12.881   1.031
 1198    HD3  LYS 511           HD1      LYS 511   6.216 -11.579  -0.156
 1199    HE2  LYS 511           HE2      LYS 511   7.301 -13.448  -1.152
 1200    HE3  LYS 511           HE1      LYS 511   8.547 -12.262  -0.776
 1201    HZ1  LYS 511           HZ1      LYS 511   9.006 -14.681  -0.236
 1202    HZ2  LYS 511           HZ2      LYS 511   7.930 -14.493   1.067
 1203    HZ3  LYS 511           HZ3      LYS 511   9.335 -13.546   0.982
 1204    H    PHE 512           H        PHE 512   8.823  -8.555   3.839
 1205    HA   PHE 512           HA       PHE 512  11.709  -9.138   3.775
 1206    HB2  PHE 512           HB2      PHE 512  10.298  -6.970   2.198
 1207    HB3  PHE 512           HB1      PHE 512  12.038  -7.239   2.248
 1208    HD1  PHE 512           HD1      PHE 512  12.948  -9.404   1.337
 1209    HD2  PHE 512           HD2      PHE 512   8.943  -8.123   0.692
 1210    HE1  PHE 512           HE1      PHE 512  12.757 -10.960  -0.557
 1211    HE2  PHE 512           HE2      PHE 512   8.746  -9.674  -1.203
 1212    HZ   PHE 512           HZ       PHE 512  10.655 -11.099  -1.826
 1213    HA   PRO 513           HA       PRO 513  10.782  -6.858   7.597
 1214    HB2  PRO 513           HB2      PRO 513  13.430  -7.071   8.458
 1215    HB3  PRO 513           HB1      PRO 513  12.120  -8.193   8.838
 1216    HG2  PRO 513           HG2      PRO 513  14.236  -8.381   6.744
 1217    HG3  PRO 513           HG1      PRO 513  13.527  -9.661   7.746
 1218    HD2  PRO 513           HD2      PRO 513  12.829  -9.378   5.185
 1219    HD3  PRO 513           HD1      PRO 513  11.624  -9.819   6.416
 1220    H    GLU 514           H        GLU 514  13.911  -6.299   5.948
 1221    HA   GLU 514           HA       GLU 514  14.186  -3.671   6.959
 1222    HB2  GLU 514           HB2      GLU 514  16.085  -5.065   6.190
 1223    HB3  GLU 514           HB1      GLU 514  15.514  -4.901   4.536
 1224    HG2  GLU 514           HG2      GLU 514  17.265  -3.356   4.791
 1225    HG3  GLU 514           HG1      GLU 514  15.776  -2.418   4.805
 1226    H    LEU 515           H        LEU 515  12.713  -4.957   4.049
 1227    HA   LEU 515           HA       LEU 515  12.558  -2.434   2.708
 1228    HB2  LEU 515           HB2      LEU 515  12.558  -4.779   1.676
 1229    HB3  LEU 515           HB1      LEU 515  10.869  -4.857   2.140
 1230    HG   LEU 515           HG       LEU 515  10.416  -2.870   0.746
 1231   HD11  LEU 515          1HD1      LEU 515  12.659  -1.878   0.845
 1232   HD12  LEU 515          2HD1      LEU 515  12.098  -2.075  -0.816
 1233   HD13  LEU 515          3HD1      LEU 515  13.277  -3.203  -0.145
 1234   HD21  LEU 515          3HD2      LEU 515  10.587  -4.001  -1.387
 1235   HD22  LEU 515          1HD2      LEU 515  10.129  -5.149  -0.128
 1236   HD23  LEU 515          2HD2      LEU 515  11.788  -5.111  -0.727
 1237    H    PHE 516           H        PHE 516  10.374  -4.418   4.650
 1238    HA   PHE 516           HA       PHE 516   8.129  -2.681   4.431
 1239    HB2  PHE 516           HB2      PHE 516   8.212  -5.156   5.184
 1240    HB3  PHE 516           HB1      PHE 516   8.662  -4.519   6.761
 1241    HD1  PHE 516           HD1      PHE 516   6.057  -4.157   4.133
 1242    HD2  PHE 516           HD2      PHE 516   7.001  -4.005   8.278
 1243    HE1  PHE 516           HE1      PHE 516   3.676  -3.836   4.658
 1244    HE2  PHE 516           HE2      PHE 516   4.621  -3.685   8.811
 1245    HZ   PHE 516           HZ       PHE 516   2.956  -3.599   7.001
 1246    H    ASN 517           H        ASN 517  10.915  -2.891   6.515
 1247    HA   ASN 517           HA       ASN 517  10.246  -0.983   8.460
 1248    HB2  ASN 517           HB2      ASN 517  12.215  -2.427   8.656
 1249    HB3  ASN 517           HB1      ASN 517  12.938  -1.671   7.243
 1250   HD21  ASN 517          1HD2      ASN 517  14.755  -1.010   8.288
 1251   HD22  ASN 517          2HD2      ASN 517  14.756   0.265   9.470
 1252    H    TRP 518           H        TRP 518  11.826  -0.661   5.304
 1253    HA   TRP 518           HA       TRP 518  12.245   2.091   5.255
 1254    HB2  TRP 518           HB2      TRP 518  13.020   0.372   3.554
 1255    HB3  TRP 518           HB1      TRP 518  11.396   0.404   2.885
 1256    HD1  TRP 518           HD1      TRP 518  14.696   2.100   2.661
 1257    HE1  TRP 518           HE1      TRP 518  14.568   4.104   1.046
 1258    HE3  TRP 518           HE3      TRP 518   9.609   2.434   2.168
 1259    HZ2  TRP 518           HZ2      TRP 518  12.578   5.631  -0.238
 1260    HZ3  TRP 518           HZ3      TRP 518   8.681   4.197   0.727
 1261    HH2  TRP 518           HH2      TRP 518  10.136   5.762  -0.450
 1262    H    PHE 519           H        PHE 519   9.436   0.203   4.197
 1263    HA   PHE 519           HA       PHE 519   7.825   2.265   3.273
 1264    HB2  PHE 519           HB2      PHE 519   7.518  -0.366   3.340
 1265    HB3  PHE 519           HB1      PHE 519   6.588  -0.001   4.788
 1266    HD1  PHE 519           HD2      PHE 519   5.241   2.508   4.016
 1267    HD2  PHE 519           HD1      PHE 519   5.975  -1.035   1.775
 1268    HE1  PHE 519           HE2      PHE 519   3.286   2.993   2.607
 1269    HE2  PHE 519           HE1      PHE 519   4.025  -0.552   0.364
 1270    HZ   PHE 519           HZ       PHE 519   2.674   1.464   0.777
 1271    H    LYS 520           H        LYS 520   8.059   0.911   6.559
 1272    HA   LYS 520           HA       LYS 520   6.099   2.534   7.741
 1273    HB2  LYS 520           HB2      LYS 520   8.541   1.218   8.936
 1274    HB3  LYS 520           HB1      LYS 520   7.327   2.049   9.895
 1275    HG2  LYS 520           HG2      LYS 520   5.628   0.467   9.038
 1276    HG3  LYS 520           HG1      LYS 520   6.915  -0.402   8.199
 1277    HD2  LYS 520           HD2      LYS 520   8.026  -0.831  10.338
 1278    HD3  LYS 520           HD1      LYS 520   6.756   0.058  11.181
 1279    HE2  LYS 520           HE2      LYS 520   5.104  -1.568  10.376
 1280    HE3  LYS 520           HE1      LYS 520   6.389  -2.465   9.571
 1281    HZ1  LYS 520           HZ1      LYS 520   7.430  -2.762  11.788
 1282    HZ2  LYS 520           HZ2      LYS 520   5.917  -3.514  11.642
 1283    HZ3  LYS 520           HZ3      LYS 520   6.060  -2.053  12.496
 1284    H    ASN 521           H        ASN 521   9.550   3.027   7.252
 1285    HA   ASN 521           HA       ASN 521   9.779   5.396   8.782
 1286    HB2  ASN 521           HB2      ASN 521  11.727   4.052   8.161
 1287    HB3  ASN 521           HB1      ASN 521  11.459   4.415   6.461
 1288   HD21  ASN 521          1HD2      ASN 521  12.066   6.398   5.652
 1289   HD22  ASN 521          2HD2      ASN 521  13.016   7.530   6.548
 1290    H    PHE 522           H        PHE 522   8.932   4.790   5.420
 1291    HA   PHE 522           HA       PHE 522   9.153   7.513   4.578
 1292    HB2  PHE 522           HB2      PHE 522   9.325   5.584   3.032
 1293    HB3  PHE 522           HB1      PHE 522   7.630   5.218   3.322
 1294    HD1  PHE 522           HD2      PHE 522   9.826   7.984   2.134
 1295    HD2  PHE 522           HD1      PHE 522   6.036   6.059   1.874
 1296    HE1  PHE 522           HE2      PHE 522   9.205   9.469   0.274
 1297    HE2  PHE 522           HE1      PHE 522   5.413   7.538   0.010
 1298    HZ   PHE 522           HZ       PHE 522   6.997   9.246  -0.791
 1299    H    LEU 523           H        LEU 523   6.596   5.480   5.818
 1300    HA   LEU 523           HA       LEU 523   4.555   7.492   5.394
 1301    HB2  LEU 523           HB2      LEU 523   4.653   4.667   6.204
 1302    HB3  LEU 523           HB1      LEU 523   3.398   5.610   6.981
 1303    HG   LEU 523           HG       LEU 523   2.374   6.132   4.881
 1304   HD11  LEU 523          1HD1      LEU 523   4.476   6.432   3.604
 1305   HD12  LEU 523          2HD1      LEU 523   3.264   5.469   2.760
 1306   HD13  LEU 523          3HD1      LEU 523   4.635   4.676   3.535
 1307   HD21  LEU 523          3HD2      LEU 523   3.215   3.245   4.847
 1308   HD22  LEU 523          1HD2      LEU 523   1.779   3.936   4.093
 1309   HD23  LEU 523          2HD2      LEU 523   1.926   3.911   5.852
 1310    H    GLY 524           H        GLY 524   6.926   7.026   7.669
 1311    HA2  GLY 524           HA2      GLY 524   7.261   7.786   9.817
 1312    HA3  GLY 524           HA1      GLY 524   5.944   8.912   9.509
 1313    H    TYR 525           H        TYR 525   5.922   5.383   9.559
 1314    HA   TYR 525           HA       TYR 525   3.442   5.418  11.022
 1315    HB2  TYR 525           HB2      TYR 525   3.983   3.854   9.115
 1316    HB3  TYR 525           HB1      TYR 525   5.082   3.018  10.204
 1317    HD1  TYR 525           HD1      TYR 525   1.522   4.032   9.840
 1318    HD2  TYR 525           HD2      TYR 525   4.278   1.289  11.571
 1319    HE1  TYR 525           HE1      TYR 525  -0.356   2.652  10.624
 1320    HE2  TYR 525           HE2      TYR 525   2.407  -0.096  12.365
 1321    HH   TYR 525           HH       TYR 525  -0.812   0.375  11.292
 1322    H    LYS 526           H        LYS 526   3.804   6.078  13.078
 1323    HA   LYS 526           HA       LYS 526   5.892   4.905  14.694
 1324    HB2  LYS 526           HB2      LYS 526   3.655   6.764  15.532
 1325    HB3  LYS 526           HB1      LYS 526   5.127   6.415  16.432
 1326    HG2  LYS 526           HG2      LYS 526   6.461   7.492  14.715
 1327    HG3  LYS 526           HG1      LYS 526   5.013   7.790  13.754
 1328    HD2  LYS 526           HD2      LYS 526   4.125   9.130  15.682
 1329    HD3  LYS 526           HD1      LYS 526   5.711   8.964  16.440
 1330    HE2  LYS 526           HE2      LYS 526   6.749  10.059  14.520
 1331    HE3  LYS 526           HE1      LYS 526   5.174  10.208  13.743
 1332    HZ1  LYS 526           HZ1      LYS 526   6.161  11.596  16.168
 1333    HZ2  LYS 526           HZ2      LYS 526   4.507  11.497  15.806
 1334    HZ3  LYS 526           HZ3      LYS 526   5.560  12.274  14.730
 1335    H    GLU 527           H        GLU 527   5.590   3.546  16.441
 1336    HA   GLU 527           HA       GLU 527   3.195   1.894  16.237
 1337    HB2  GLU 527           HB2      GLU 527   5.552   0.960  16.202
 1338    HB3  GLU 527           HB1      GLU 527   5.668   1.400  17.899
 1339    HG2  GLU 527           HG2      GLU 527   3.769  -0.083  18.389
 1340    HG3  GLU 527           HG1      GLU 527   3.729  -0.559  16.691
 1341    H    SER 528           H        SER 528   4.027   4.524  17.908
 1342    HA   SER 528           HA       SER 528   2.545   3.714  20.314
 1343    HB2  SER 528           HB2      SER 528   4.708   5.827  20.148
 1344    HB3  SER 528           HB1      SER 528   3.877   5.285  21.607
 1345    HG   SER 528           HG       SER 528   4.751   3.097  20.810
  Start of MODEL   14
    1    H1   SER 127           HT1      SER 127 -11.457 -21.478  19.616
    2    H2   SER 127           HT2      SER 127 -12.802 -22.459  19.928
    3    H3   SER 127           HT3      SER 127 -11.864 -22.726  18.540
    4    HA   SER 127           HA       SER 127 -10.938 -23.048  21.334
    5    HB2  SER 127           HB2      SER 127 -12.554 -24.782  20.704
    6    HB3  SER 127           HB1      SER 127 -11.649 -25.110  19.227
    7    HG   SER 127           HG       SER 127 -10.817 -25.545  21.914
    8    H    ASN 128           H        ASN 128  -8.829 -23.869  21.540
    9    HA   ASN 128           HA       ASN 128  -6.985 -23.083  19.481
   10    HB2  ASN 128           HB2      ASN 128  -5.247 -23.841  21.032
   11    HB3  ASN 128           HB1      ASN 128  -6.421 -22.838  21.875
   12   HD21  ASN 128          1HD2      ASN 128  -4.537 -24.956  22.790
   13   HD22  ASN 128          2HD2      ASN 128  -5.526 -26.077  23.672
   14    H    ALA 129           H        ALA 129  -8.668 -25.924  20.350
   15    HA   ALA 129           HA       ALA 129  -8.811 -27.998  19.467
   16    HB1  ALA 129           HB1      ALA 129  -7.851 -28.504  17.301
   17    HB2  ALA 129           HB2      ALA 129  -6.845 -27.057  17.381
   18    HB3  ALA 129           HB3      ALA 129  -8.599 -26.908  17.276
   19    H    GLY 130           H        GLY 130  -5.384 -27.010  19.119
   20    HA2  GLY 130           HA2      GLY 130  -3.522 -27.894  20.216
   21    HA3  GLY 130           HA1      GLY 130  -4.585 -29.024  21.047
   22    H    SER 131           H        SER 131  -4.719 -28.675  17.602
   23    HA   SER 131           HA       SER 131  -3.071 -31.027  17.173
   24    HB2  SER 131           HB2      SER 131  -5.308 -31.953  17.621
   25    HB3  SER 131           HB1      SER 131  -5.994 -30.918  16.371
   26    HG   SER 131           HG       SER 131  -5.217 -32.197  14.853
   27    H    ASP 132           H        ASP 132  -2.364 -31.247  15.068
   28    HA   ASP 132           HA       ASP 132  -1.715 -30.657  12.996
   29    HB2  ASP 132           HB2      ASP 132  -4.178 -30.557  12.527
   30    HB3  ASP 132           HB1      ASP 132  -4.122 -28.833  12.880
   31    H    ASP 133           H        ASP 133   0.006 -29.689  14.277
   32    HA   ASP 133           HA       ASP 133   0.145 -26.788  13.745
   33    HB2  ASP 133           HB2      ASP 133   1.720 -28.452  15.731
   34    HB3  ASP 133           HB1      ASP 133   2.011 -26.748  15.401
   35    H    ASP 134           H        ASP 134   1.450 -29.919  13.191
   36    HA   ASP 134           HA       ASP 134   3.796 -28.974  11.773
   37    HB2  ASP 134           HB2      ASP 134   4.356 -31.267  11.458
   38    HB3  ASP 134           HB1      ASP 134   3.702 -31.155  13.087
   39    H    GLY 135           H        GLY 135   4.123 -30.009   9.519
   40    HA2  GLY 135           HA2      GLY 135   2.971 -30.898   7.561
   41    HA3  GLY 135           HA1      GLY 135   1.585 -29.918   8.014
   42    H    GLY 136           H        GLY 136   1.434 -28.761   6.152
   43    HA2  GLY 136           HA2      GLY 136   1.903 -26.749   5.020
   44    HA3  GLY 136           HA1      GLY 136   3.515 -26.753   5.730
   45    H    ASP 137           H        ASP 137   5.133 -28.082   4.830
   46    HA   ASP 137           HA       ASP 137   6.363 -28.879   3.090
   47    HB2  ASP 137           HB2      ASP 137   3.709 -30.197   2.499
   48    HB3  ASP 137           HB1      ASP 137   5.148 -30.500   1.530
   49    H    SER 138           H        SER 138   5.450 -29.404   0.392
   50    HA   SER 138           HA       SER 138   5.095 -28.405  -1.607
   51    HB2  SER 138           HB2      SER 138   3.892 -26.098  -0.055
   52    HB3  SER 138           HB1      SER 138   3.719 -26.403  -1.783
   53    HG   SER 138           HG       SER 138   2.690 -27.918   0.381
   54    HA   PRO 139           HA       PRO 139   9.005 -26.392  -2.169
   55    HB2  PRO 139           HB2      PRO 139   7.503 -25.371  -4.545
   56    HB3  PRO 139           HB1      PRO 139   9.145 -26.028  -4.460
   57    HG2  PRO 139           HG2      PRO 139   7.164 -27.532  -5.365
   58    HG3  PRO 139           HG1      PRO 139   8.384 -28.227  -4.279
   59    HD2  PRO 139           HD2      PRO 139   5.563 -27.454  -3.715
   60    HD3  PRO 139           HD1      PRO 139   6.539 -28.761  -3.013
   61    H    VAL 140           H        VAL 140   6.535 -24.288  -3.608
   62    HA   VAL 140           HA       VAL 140   6.201 -22.043  -3.471
   63    HB   VAL 140           HB       VAL 140   6.335 -22.592  -0.505
   64   HG11  VAL 140          1HG1      VAL 140   4.813 -20.542  -2.117
   65   HG12  VAL 140          2HG1      VAL 140   6.161 -20.228  -1.021
   66   HG13  VAL 140          3HG1      VAL 140   4.624 -20.817  -0.386
   67   HG21  VAL 140          3HG2      VAL 140   3.979 -22.899  -2.354
   68   HG22  VAL 140          1HG2      VAL 140   4.041 -23.282  -0.634
   69   HG23  VAL 140          2HG2      VAL 140   4.977 -24.240  -1.790
   70    H    GLN 141           H        GLN 141   8.313 -21.600  -4.368
   71    HA   GLN 141           HA       GLN 141  10.339 -20.699  -2.477
   72    HB2  GLN 141           HB2      GLN 141  11.798 -20.514  -4.446
   73    HB3  GLN 141           HB1      GLN 141  11.092 -22.120  -4.314
   74    HG2  GLN 141           HG2      GLN 141   9.424 -21.516  -6.002
   75    HG3  GLN 141           HG1      GLN 141  10.166 -19.922  -6.149
   76   HE21  GLN 141          1HE2      GLN 141   9.815 -22.042  -8.139
   77   HE22  GLN 141          2HE2      GLN 141  11.405 -22.422  -8.723
   78    H    ASP 142           H        ASP 142  10.844 -18.635  -2.143
   79    HA   ASP 142           HA       ASP 142  10.518 -16.397  -2.001
   80    HB2  ASP 142           HB2      ASP 142  10.303 -16.728  -5.003
   81    HB3  ASP 142           HB1      ASP 142  10.427 -15.169  -4.191
   82    H    ILE 143           H        ILE 143   8.572 -15.901  -4.719
   83    HA   ILE 143           HA       ILE 143   6.054 -16.666  -3.629
   84    HB   ILE 143           HB       ILE 143   5.252 -14.161  -3.852
   85   HG12  ILE 143          2HG1      ILE 143   8.085 -13.852  -2.831
   86   HG13  ILE 143          1HG1      ILE 143   7.482 -13.258  -4.375
   87   HG21  ILE 143          1HG2      ILE 143   4.804 -15.508  -1.948
   88   HG22  ILE 143          2HG2      ILE 143   5.461 -13.971  -1.376
   89   HG23  ILE 143          3HG2      ILE 143   6.483 -15.414  -1.417
   90   HD11  ILE 143          3HD1      ILE 143   5.967 -11.748  -3.209
   91   HD12  ILE 143          1HD1      ILE 143   7.644 -11.476  -2.731
   92   HD13  ILE 143          2HD1      ILE 143   6.553 -12.353  -1.660
   93    H    ASP 144           H        ASP 144   4.942 -17.274  -5.352
   94    HA   ASP 144           HA       ASP 144   5.580 -16.294  -7.981
   95    HB2  ASP 144           HB2      ASP 144   4.912 -18.634  -7.698
   96    HB3  ASP 144           HB1      ASP 144   3.348 -18.126  -7.062
   97    H    THR 145           H        THR 145   2.704 -16.216  -5.903
   98    HA   THR 145           HA       THR 145   2.197 -13.467  -6.624
   99    HB   THR 145           HB       THR 145   0.111 -15.565  -7.293
  100    HG1  THR 145           HG1      THR 145   2.123 -14.570  -8.734
  101   HG21  THR 145          3HG2      THR 145  -1.214 -13.685  -8.138
  102   HG22  THR 145          1HG2      THR 145   0.033 -12.557  -7.605
  103   HG23  THR 145          2HG2      THR 145  -0.875 -13.494  -6.418
  104    HA   PRO 146           HA       PRO 146   0.829 -14.189  -2.339
  105    HB2  PRO 146           HB2      PRO 146   1.365 -11.353  -1.986
  106    HB3  PRO 146           HB1      PRO 146   2.143 -12.732  -1.208
  107    HG2  PRO 146           HG2      PRO 146   3.399 -11.130  -3.015
  108    HG3  PRO 146           HG1      PRO 146   3.818 -12.835  -2.763
  109    HD2  PRO 146           HD2      PRO 146   2.160 -11.582  -4.919
  110    HD3  PRO 146           HD1      PRO 146   3.350 -12.895  -5.036
  111    H    GLU 147           H        GLU 147  -0.878 -13.077  -1.084
  112    HA   GLU 147           HA       GLU 147  -2.809 -11.773  -2.874
  113    HB2  GLU 147           HB2      GLU 147  -4.553 -12.928  -1.389
  114    HB3  GLU 147           HB1      GLU 147  -3.686 -13.922  -2.552
  115    HG2  GLU 147           HG2      GLU 147  -2.185 -14.683  -0.773
  116    HG3  GLU 147           HG1      GLU 147  -3.081 -13.704   0.389
  117    H    VAL 148           H        VAL 148  -4.265 -10.276  -1.914
  118    HA   VAL 148           HA       VAL 148  -3.121  -9.007   0.470
  119    HB   VAL 148           HB       VAL 148  -3.261  -7.502  -1.396
  120   HG11  VAL 148          1HG1      VAL 148  -4.988  -8.663  -2.676
  121   HG12  VAL 148          2HG1      VAL 148  -5.346  -6.944  -2.509
  122   HG13  VAL 148          3HG1      VAL 148  -6.206  -8.124  -1.519
  123   HG21  VAL 148          3HG2      VAL 148  -3.758  -6.552   0.796
  124   HG22  VAL 148          1HG2      VAL 148  -5.473  -6.897   0.560
  125   HG23  VAL 148          2HG2      VAL 148  -4.659  -5.725  -0.476
  126    H    ASP 149           H        ASP 149  -4.114  -9.181   2.360
  127    HA   ASP 149           HA       ASP 149  -6.766 -10.304   2.533
  128    HB2  ASP 149           HB2      ASP 149  -4.966 -10.866   4.181
  129    HB3  ASP 149           HB1      ASP 149  -5.046  -9.208   4.770
  130    H    LEU 150           H        LEU 150  -8.405  -9.018   2.037
  131    HA   LEU 150           HA       LEU 150  -8.280  -6.173   2.639
  132    HB2  LEU 150           HB2      LEU 150 -10.247  -7.832   1.070
  133    HB3  LEU 150           HB1      LEU 150 -10.424  -6.108   1.332
  134    HG   LEU 150           HG       LEU 150  -8.017  -7.318  -0.017
  135   HD11  LEU 150          1HD1      LEU 150  -9.019  -6.631  -2.128
  136   HD12  LEU 150          2HD1      LEU 150 -10.491  -6.156  -1.281
  137   HD13  LEU 150          3HD1      LEU 150 -10.002  -7.850  -1.317
  138   HD21  LEU 150          3HD2      LEU 150  -7.672  -5.103   0.925
  139   HD22  LEU 150          1HD2      LEU 150  -9.106  -4.508   0.088
  140   HD23  LEU 150          2HD2      LEU 150  -7.698  -5.035  -0.837
  141    H    TYR 151           H        TYR 151  -9.011  -8.745   4.389
  142    HA   TYR 151           HA       TYR 151 -11.525  -7.906   5.537
  143    HB2  TYR 151           HB2      TYR 151 -10.837 -10.299   5.410
  144    HB3  TYR 151           HB1      TYR 151  -9.521  -9.954   6.522
  145    HD1  TYR 151           HD1      TYR 151 -13.227  -9.926   6.232
  146    HD2  TYR 151           HD2      TYR 151  -9.870 -10.084   8.842
  147    HE1  TYR 151           HE1      TYR 151 -14.723 -10.432   8.117
  148    HE2  TYR 151           HE2      TYR 151 -11.358 -10.586  10.735
  149    HH   TYR 151           HH       TYR 151 -13.723 -10.275  11.362
  150    H    GLN 152           H        GLN 152  -8.211  -7.227   5.889
  151    HA   GLN 152           HA       GLN 152  -8.094  -6.318   8.551
  152    HB2  GLN 152           HB2      GLN 152  -6.580  -5.134   6.227
  153    HB3  GLN 152           HB1      GLN 152  -6.103  -5.155   7.918
  154    HG2  GLN 152           HG2      GLN 152  -5.883  -7.599   7.802
  155    HG3  GLN 152           HG1      GLN 152  -6.307  -7.522   6.088
  156   HE21  GLN 152          1HE2      GLN 152  -4.867  -6.727   4.627
  157   HE22  GLN 152          2HE2      GLN 152  -3.197  -6.460   5.008
  158    H    LEU 153           H        LEU 153  -9.444  -4.972   5.675
  159    HA   LEU 153           HA       LEU 153  -9.362  -2.242   6.454
  160    HB2  LEU 153           HB2      LEU 153 -11.126  -3.621   4.431
  161    HB3  LEU 153           HB1      LEU 153 -10.956  -1.885   4.607
  162    HG   LEU 153           HG       LEU 153  -8.849  -3.835   3.687
  163   HD11  LEU 153          1HD1      LEU 153  -8.920  -2.550   1.633
  164   HD12  LEU 153          2HD1      LEU 153 -10.142  -1.480   2.323
  165   HD13  LEU 153          3HD1      LEU 153 -10.522  -3.176   2.017
  166   HD21  LEU 153          3HD2      LEU 153  -7.810  -2.186   5.133
  167   HD22  LEU 153          1HD2      LEU 153  -8.603  -0.883   4.242
  168   HD23  LEU 153          2HD2      LEU 153  -7.386  -1.883   3.447
  169    H    GLN 154           H        GLN 154 -10.881  -0.972   7.354
  170    HA   GLN 154           HA       GLN 154 -12.762  -2.168   9.129
  171    HB2  GLN 154           HB2      GLN 154 -12.426   0.717   8.271
  172    HB3  GLN 154           HB1      GLN 154 -13.433   0.173   9.605
  173    HG2  GLN 154           HG2      GLN 154 -10.471  -0.313   9.471
  174    HG3  GLN 154           HG1      GLN 154 -11.195   1.098  10.241
  175   HE21  GLN 154          1HE2      GLN 154 -12.386   0.839  12.125
  176   HE22  GLN 154          2HE2      GLN 154 -12.252  -0.583  13.104
  177    H    VAL 155           H        VAL 155 -15.092  -1.791   9.120
  178    HA   VAL 155           HA       VAL 155 -16.348  -2.388   6.684
  179    HB   VAL 155           HB       VAL 155 -17.548  -1.127   9.158
  180   HG11  VAL 155          1HG1      VAL 155 -19.701  -1.940   8.307
  181   HG12  VAL 155          2HG1      VAL 155 -18.906  -2.478   6.827
  182   HG13  VAL 155          3HG1      VAL 155 -18.978  -0.759   7.216
  183   HG21  VAL 155          3HG2      VAL 155 -17.418  -3.989   8.238
  184   HG22  VAL 155          1HG2      VAL 155 -18.287  -3.408   9.657
  185   HG23  VAL 155          2HG2      VAL 155 -16.529  -3.282   9.587
  186    H    ASN 156           H        ASN 156 -15.919   0.689   8.378
  187    HA   ASN 156           HA       ASN 156 -17.355   2.284   6.586
  188    HB2  ASN 156           HB2      ASN 156 -16.665   3.132   8.768
  189    HB3  ASN 156           HB1      ASN 156 -14.972   3.002   8.311
  190   HD21  ASN 156          1HD2      ASN 156 -17.884   4.844   8.014
  191   HD22  ASN 156          2HD2      ASN 156 -17.184   6.203   7.210
  192    H    THR 157           H        THR 157 -13.998   1.215   6.596
  193    HA   THR 157           HA       THR 157 -13.098   2.787   4.434
  194    HB   THR 157           HB       THR 157 -12.007   0.092   5.264
  195    HG1  THR 157           HG1      THR 157 -10.757   2.297   6.301
  196   HG21  THR 157          3HG2      THR 157 -11.066   0.977   3.193
  197   HG22  THR 157          1HG2      THR 157  -9.870   1.036   4.489
  198   HG23  THR 157          2HG2      THR 157 -10.709   2.506   3.993
  199    H    LEU 158           H        LEU 158 -14.388  -0.522   4.607
  200    HA   LEU 158           HA       LEU 158 -14.100  -1.121   1.863
  201    HB2  LEU 158           HB2      LEU 158 -16.034  -2.196   3.911
  202    HB3  LEU 158           HB1      LEU 158 -15.821  -2.869   2.307
  203    HG   LEU 158           HG       LEU 158 -13.613  -2.700   4.357
  204   HD11  LEU 158          1HD1      LEU 158 -15.398  -4.167   5.136
  205   HD12  LEU 158          2HD1      LEU 158 -13.964  -5.088   4.680
  206   HD13  LEU 158          3HD1      LEU 158 -15.359  -5.034   3.600
  207   HD21  LEU 158          3HD2      LEU 158 -12.841  -2.771   2.049
  208   HD22  LEU 158          1HD2      LEU 158 -13.844  -4.189   1.747
  209   HD23  LEU 158          2HD2      LEU 158 -12.493  -4.290   2.877
  210    H    ARG 159           H        ARG 159 -16.789   0.240   3.727
  211    HA   ARG 159           HA       ARG 159 -18.580   0.530   1.561
  212    HB2  ARG 159           HB2      ARG 159 -18.309   2.089   4.133
  213    HB3  ARG 159           HB1      ARG 159 -19.624   2.325   2.994
  214    HG2  ARG 159           HG2      ARG 159 -20.309  -0.008   3.324
  215    HG3  ARG 159           HG1      ARG 159 -19.004  -0.210   4.495
  216    HD2  ARG 159           HD2      ARG 159 -19.978   1.526   5.901
  217    HD3  ARG 159           HD1      ARG 159 -21.266   1.770   4.724
  218    HE   ARG 159           HE       ARG 159 -21.339  -0.914   5.422
  219   HH11  ARG 159          1HH1      ARG 159 -21.740   2.180   7.003
  220   HH12  ARG 159          2HH1      ARG 159 -22.836   1.575   8.207
  221   HH21  ARG 159          1HH2      ARG 159 -22.771  -1.730   7.002
  222   HH22  ARG 159          2HH2      ARG 159 -23.429  -0.662   8.205
  223    H    ARG 160           H        ARG 160 -15.969   2.490   2.806
  224    HA   ARG 160           HA       ARG 160 -16.464   4.853   1.369
  225    HB2  ARG 160           HB2      ARG 160 -14.833   4.330   3.341
  226    HB3  ARG 160           HB1      ARG 160 -13.701   3.911   2.064
  227    HG2  ARG 160           HG2      ARG 160 -13.972   6.172   1.120
  228    HG3  ARG 160           HG1      ARG 160 -15.025   6.580   2.478
  229    HD2  ARG 160           HD2      ARG 160 -12.116   5.804   2.587
  230    HD3  ARG 160           HD1      ARG 160 -12.812   7.379   2.955
  231    HE   ARG 160           HE       ARG 160 -14.030   5.981   4.799
  232   HH11  ARG 160          1HH1      ARG 160 -10.738   5.549   3.691
  233   HH12  ARG 160          2HH1      ARG 160 -10.148   5.048   5.245
  234   HH21  ARG 160          1HH2      ARG 160 -13.256   5.298   6.844
  235   HH22  ARG 160          2HH2      ARG 160 -11.567   4.895   7.032
  236    H    TYR 161           H        TYR 161 -14.530   1.975   0.636
  237    HA   TYR 161           HA       TYR 161 -13.564   2.733  -1.876
  238    HB2  TYR 161           HB2      TYR 161 -12.789   0.729  -0.686
  239    HB3  TYR 161           HB1      TYR 161 -14.371  -0.016  -0.881
  240    HD1  TYR 161           HD1      TYR 161 -15.097  -0.828  -3.090
  241    HD2  TYR 161           HD2      TYR 161 -11.210   0.787  -2.492
  242    HE1  TYR 161           HE1      TYR 161 -14.371  -1.797  -5.228
  243    HE2  TYR 161           HE2      TYR 161 -10.473  -0.177  -4.627
  244    HH   TYR 161           HH       TYR 161 -11.099  -1.962  -6.153
  245    H    LYS 162           H        LYS 162 -16.509   0.977  -1.004
  246    HA   LYS 162           HA       LYS 162 -17.402   0.609  -3.657
  247    HB2  LYS 162           HB2      LYS 162 -18.765   0.428  -0.980
  248    HB3  LYS 162           HB1      LYS 162 -19.598   0.066  -2.488
  249    HG2  LYS 162           HG2      LYS 162 -18.092  -1.731  -2.967
  250    HG3  LYS 162           HG1      LYS 162 -17.061  -1.295  -1.604
  251    HD2  LYS 162           HD2      LYS 162 -18.517  -3.259  -1.172
  252    HD3  LYS 162           HD1      LYS 162 -18.767  -1.932  -0.040
  253    HE2  LYS 162           HE2      LYS 162 -20.851  -3.060  -0.892
  254    HE3  LYS 162           HE1      LYS 162 -20.801  -1.308  -1.072
  255    HZ1  LYS 162           HZ1      LYS 162 -21.621  -2.582  -3.047
  256    HZ2  LYS 162           HZ2      LYS 162 -20.052  -3.168  -3.255
  257    HZ3  LYS 162           HZ3      LYS 162 -20.358  -1.508  -3.361
  258    H    ARG 163           H        ARG 163 -17.859   3.200  -1.369
  259    HA   ARG 163           HA       ARG 163 -19.963   4.458  -2.870
  260    HB2  ARG 163           HB2      ARG 163 -19.945   4.826  -0.525
  261    HB3  ARG 163           HB1      ARG 163 -18.261   5.326  -0.541
  262    HG2  ARG 163           HG2      ARG 163 -18.847   7.362  -1.722
  263    HG3  ARG 163           HG1      ARG 163 -20.535   6.848  -1.798
  264    HD2  ARG 163           HD2      ARG 163 -20.788   7.023   0.549
  265    HD3  ARG 163           HD1      ARG 163 -19.049   7.175   0.795
  266    HE   ARG 163           HE       ARG 163 -19.893   9.302  -0.821
  267   HH11  ARG 163          1HH1      ARG 163 -20.347   8.132   2.448
  268   HH12  ARG 163          2HH1      ARG 163 -20.514   9.715   3.141
  269   HH21  ARG 163          1HH2      ARG 163 -20.066  11.406   0.091
  270   HH22  ARG 163          2HH2      ARG 163 -20.329  11.584   1.803
  271    H    HIS 164           H        HIS 164 -16.464   4.877  -2.538
  272    HA   HIS 164           HA       HIS 164 -16.335   7.236  -4.130
  273    HB2  HIS 164           HB2      HIS 164 -14.394   5.409  -2.878
  274    HB3  HIS 164           HB1      HIS 164 -13.828   6.183  -4.352
  275    HD1  HIS 164           HD1      HIS 164 -14.451   6.814  -0.780
  276    HD2  HIS 164           HD2      HIS 164 -13.767   9.062  -4.205
  277    HE1  HIS 164           HE1      HIS 164 -13.781   9.096   0.034
  278    HE2  HIS 164           HE2      HIS 164 -13.595  10.493  -2.055
  279    H    PHE 165           H        PHE 165 -15.931   3.791  -4.837
  280    HA   PHE 165           HA       PHE 165 -15.358   4.409  -7.613
  281    HB2  PHE 165           HB2      PHE 165 -15.423   1.860  -6.029
  282    HB3  PHE 165           HB1      PHE 165 -15.343   1.838  -7.789
  283    HD1  PHE 165           HD1      PHE 165 -13.380   2.611  -8.955
  284    HD2  PHE 165           HD2      PHE 165 -13.553   2.636  -4.706
  285    HE1  PHE 165           HE1      PHE 165 -10.943   2.924  -8.865
  286    HE2  PHE 165           HE2      PHE 165 -11.114   2.946  -4.608
  287    HZ   PHE 165           HZ       PHE 165  -9.807   3.093  -6.688
  288    H    LYS 166           H        LYS 166 -18.080   4.260  -5.841
  289    HA   LYS 166           HA       LYS 166 -20.292   4.136  -6.291
  290    HB2  LYS 166           HB2      LYS 166 -19.397   4.531  -9.151
  291    HB3  LYS 166           HB1      LYS 166 -21.014   4.814  -8.523
  292    HG2  LYS 166           HG2      LYS 166 -18.541   6.299  -7.657
  293    HG3  LYS 166           HG1      LYS 166 -19.732   6.889  -8.818
  294    HD2  LYS 166           HD2      LYS 166 -21.440   6.923  -7.139
  295    HD3  LYS 166           HD1      LYS 166 -20.379   6.124  -5.977
  296    HE2  LYS 166           HE2      LYS 166 -18.918   8.054  -5.936
  297    HE3  LYS 166           HE1      LYS 166 -19.886   8.842  -7.182
  298    HZ1  LYS 166           HZ1      LYS 166 -21.722   8.993  -5.695
  299    HZ2  LYS 166           HZ2      LYS 166 -20.367   9.612  -4.895
  300    HZ3  LYS 166           HZ3      LYS 166 -20.936   8.063  -4.518
  301    H    LEU 167           H        LEU 167 -20.391   1.927  -5.642
  302    HA   LEU 167           HA       LEU 167 -20.752   0.083  -7.911
  303    HB2  LEU 167           HB2      LEU 167 -20.035  -0.561  -5.050
  304    HB3  LEU 167           HB1      LEU 167 -20.307  -1.742  -6.319
  305    HG   LEU 167           HG       LEU 167 -18.086   0.305  -6.288
  306   HD11  LEU 167          1HD1      LEU 167 -18.028  -2.676  -5.843
  307   HD12  LEU 167          2HD1      LEU 167 -17.753  -1.436  -4.620
  308   HD13  LEU 167          3HD1      LEU 167 -16.618  -1.622  -5.958
  309   HD21  LEU 167          3HD2      LEU 167 -17.237  -0.923  -8.227
  310   HD22  LEU 167          1HD2      LEU 167 -18.823  -0.220  -8.548
  311   HD23  LEU 167          2HD2      LEU 167 -18.675  -1.944  -8.207
  312    HA   PRO 168           HA       PRO 168 -24.988   0.012  -6.620
  313    HB2  PRO 168           HB2      PRO 168 -25.886  -1.838  -8.361
  314    HB3  PRO 168           HB1      PRO 168 -25.443  -0.204  -8.869
  315    HG2  PRO 168           HG2      PRO 168 -23.929  -2.756  -9.146
  316    HG3  PRO 168           HG1      PRO 168 -24.034  -1.385 -10.263
  317    HD2  PRO 168           HD2      PRO 168 -21.926  -1.874  -8.530
  318    HD3  PRO 168           HD1      PRO 168 -22.299  -0.303  -9.259
  319    H    THR 169           H        THR 169 -25.832  -0.959  -4.904
  320    HA   THR 169           HA       THR 169 -26.174  -3.758  -4.670
  321    HB   THR 169           HB       THR 169 -23.769  -3.726  -4.151
  322    HG1  THR 169           HG1      THR 169 -24.767  -5.332  -3.080
  323   HG21  THR 169          3HG2      THR 169 -22.965  -2.658  -2.089
  324   HG22  THR 169          1HG2      THR 169 -24.556  -1.930  -1.859
  325   HG23  THR 169          2HG2      THR 169 -23.570  -1.471  -3.249
  326    H    ARG 170           H        ARG 170 -27.295  -4.332  -2.674
  327    HA   ARG 170           HA       ARG 170 -28.941  -2.136  -1.771
  328    HB2  ARG 170           HB2      ARG 170 -30.248  -3.901  -0.619
  329    HB3  ARG 170           HB1      ARG 170 -30.054  -4.203  -2.337
  330    HG2  ARG 170           HG2      ARG 170 -29.710  -6.290  -1.435
  331    HG3  ARG 170           HG1      ARG 170 -28.059  -5.688  -1.590
  332    HD2  ARG 170           HD2      ARG 170 -28.111  -5.004   0.769
  333    HD3  ARG 170           HD1      ARG 170 -29.739  -5.662   0.910
  334    HE   ARG 170           HE       ARG 170 -28.054  -7.687  -0.046
  335   HH11  ARG 170          1HH1      ARG 170 -28.584  -5.770   2.830
  336   HH12  ARG 170          2HH1      ARG 170 -27.986  -6.991   3.912
  337   HH21  ARG 170          1HH2      ARG 170 -27.225  -9.297   1.375
  338   HH22  ARG 170          2HH2      ARG 170 -27.242  -9.000   3.092
  339    HA   PRO 171           HA       PRO 171 -26.839  -1.348   2.004
  340    HB2  PRO 171           HB2      PRO 171 -28.857  -0.618   3.657
  341    HB3  PRO 171           HB1      PRO 171 -28.306   0.392   2.316
  342    HG2  PRO 171           HG2      PRO 171 -30.670  -1.435   2.463
  343    HG3  PRO 171           HG1      PRO 171 -30.550   0.189   1.761
  344    HD2  PRO 171           HD2      PRO 171 -30.473  -2.088   0.272
  345    HD3  PRO 171           HD1      PRO 171 -29.643  -0.593  -0.199
  346    H    GLY 172           H        GLY 172 -26.392  -2.105   4.114
  347    HA2  GLY 172           HA2      GLY 172 -26.737  -3.456   6.011
  348    HA3  GLY 172           HA1      GLY 172 -28.025  -4.293   5.158
  349    H    LEU 173           H        LEU 173 -24.959  -3.793   3.605
  350    HA   LEU 173           HA       LEU 173 -24.560  -6.611   3.304
  351    HB2  LEU 173           HB2      LEU 173 -22.665  -4.334   2.729
  352    HB3  LEU 173           HB1      LEU 173 -22.469  -5.992   2.197
  353    HG   LEU 173           HG       LEU 173 -24.762  -4.222   1.352
  354   HD11  LEU 173          1HD1      LEU 173 -23.562  -3.999  -0.773
  355   HD12  LEU 173          2HD1      LEU 173 -22.183  -4.849  -0.072
  356   HD13  LEU 173          3HD1      LEU 173 -22.670  -3.280   0.569
  357   HD21  LEU 173          3HD2      LEU 173 -25.274  -6.576   1.164
  358   HD22  LEU 173          1HD2      LEU 173 -23.741  -6.874   0.339
  359   HD23  LEU 173          2HD2      LEU 173 -24.990  -5.906  -0.446
  360    H    ASN 174           H        ASN 174 -23.003  -7.902   4.264
  361    HA   ASN 174           HA       ASN 174 -22.191  -7.090   6.909
  362    HB2  ASN 174           HB2      ASN 174 -21.853  -9.656   5.357
  363    HB3  ASN 174           HB1      ASN 174 -21.161  -9.419   6.956
  364   HD21  ASN 174          1HD2      ASN 174 -22.508  -9.284   8.733
  365   HD22  ASN 174          2HD2      ASN 174 -24.162  -9.810   8.677
  366    H    LYS 175           H        LYS 175 -19.940  -7.609   7.647
  367    HA   LYS 175           HA       LYS 175 -18.058  -6.020   6.349
  368    HB2  LYS 175           HB2      LYS 175 -17.696  -6.434   8.629
  369    HB3  LYS 175           HB1      LYS 175 -17.857  -8.170   8.438
  370    HG2  LYS 175           HG2      LYS 175 -15.558  -7.436   8.932
  371    HG3  LYS 175           HG1      LYS 175 -15.690  -8.316   7.410
  372    HD2  LYS 175           HD2      LYS 175 -15.587  -6.238   6.168
  373    HD3  LYS 175           HD1      LYS 175 -15.587  -5.309   7.674
  374    HE2  LYS 175           HE2      LYS 175 -13.475  -7.328   6.933
  375    HE3  LYS 175           HE1      LYS 175 -13.337  -5.602   6.605
  376    HZ1  LYS 175           HZ1      LYS 175 -13.722  -6.755   9.321
  377    HZ2  LYS 175           HZ2      LYS 175 -13.384  -5.142   8.931
  378    HZ3  LYS 175           HZ3      LYS 175 -12.215  -6.336   8.670
  379    H    ALA 176           H        ALA 176 -18.227  -9.586   6.432
  380    HA   ALA 176           HA       ALA 176 -16.096 -10.021   4.660
  381    HB1  ALA 176           HB1      ALA 176 -16.986 -11.756   6.125
  382    HB2  ALA 176           HB2      ALA 176 -16.960 -12.290   4.444
  383    HB3  ALA 176           HB3      ALA 176 -18.479 -11.788   5.188
  384    H    GLN 177           H        GLN 177 -19.481  -9.351   4.090
  385    HA   GLN 177           HA       GLN 177 -19.516 -10.153   1.363
  386    HB2  GLN 177           HB2      GLN 177 -21.332  -8.127   2.685
  387    HB3  GLN 177           HB1      GLN 177 -21.654  -9.039   1.216
  388    HG2  GLN 177           HG2      GLN 177 -21.652  -9.979   4.055
  389    HG3  GLN 177           HG1      GLN 177 -22.926 -10.100   2.847
  390   HE21  GLN 177          1HE2      GLN 177 -22.787 -11.713   1.254
  391   HE22  GLN 177          2HE2      GLN 177 -21.753 -13.093   1.454
  392    H    LEU 178           H        LEU 178 -19.019  -7.070   3.019
  393    HA   LEU 178           HA       LEU 178 -18.710  -5.442   0.759
  394    HB2  LEU 178           HB2      LEU 178 -17.337  -5.274   3.442
  395    HB3  LEU 178           HB1      LEU 178 -17.316  -4.007   2.232
  396    HG   LEU 178           HG       LEU 178 -19.781  -5.014   3.661
  397   HD11  LEU 178          1HD1      LEU 178 -18.271  -3.735   5.108
  398   HD12  LEU 178          2HD1      LEU 178 -19.752  -2.841   4.766
  399   HD13  LEU 178          3HD1      LEU 178 -18.258  -2.420   3.931
  400   HD21  LEU 178          3HD2      LEU 178 -20.257  -4.260   1.390
  401   HD22  LEU 178          1HD2      LEU 178 -19.413  -2.745   1.711
  402   HD23  LEU 178          2HD2      LEU 178 -20.898  -3.128   2.581
  403    H    VAL 179           H        VAL 179 -16.399  -7.402   2.575
  404    HA   VAL 179           HA       VAL 179 -14.067  -6.655   1.248
  405    HB   VAL 179           HB       VAL 179 -14.658  -9.403   2.364
  406   HG11  VAL 179          1HG1      VAL 179 -12.244  -9.498   2.722
  407   HG12  VAL 179          2HG1      VAL 179 -12.075  -7.918   1.956
  408   HG13  VAL 179          3HG1      VAL 179 -12.639  -9.300   1.014
  409   HG21  VAL 179          3HG2      VAL 179 -15.141  -7.668   4.018
  410   HG22  VAL 179          1HG2      VAL 179 -13.534  -6.984   3.766
  411   HG23  VAL 179          2HG2      VAL 179 -13.708  -8.598   4.455
  412    H    GLU 180           H        GLU 180 -16.396  -9.227   0.475
  413    HA   GLU 180           HA       GLU 180 -14.987 -10.311  -1.709
  414    HB2  GLU 180           HB2      GLU 180 -17.954 -10.259  -1.151
  415    HB3  GLU 180           HB1      GLU 180 -17.192 -11.237  -2.398
  416    HG2  GLU 180           HG2      GLU 180 -15.886 -12.388  -0.661
  417    HG3  GLU 180           HG1      GLU 180 -16.725 -11.442   0.567
  418    H    ILE 181           H        ILE 181 -17.577  -7.861  -1.612
  419    HA   ILE 181           HA       ILE 181 -17.666  -7.400  -4.388
  420    HB   ILE 181           HB       ILE 181 -18.292  -5.434  -2.173
  421   HG12  ILE 181          2HG1      ILE 181 -20.109  -7.313  -3.700
  422   HG13  ILE 181          1HG1      ILE 181 -19.588  -7.541  -2.033
  423   HG21  ILE 181          1HG2      ILE 181 -19.120  -5.451  -5.074
  424   HG22  ILE 181          2HG2      ILE 181 -17.963  -4.347  -4.333
  425   HG23  ILE 181          3HG2      ILE 181 -19.659  -4.297  -3.853
  426   HD11  ILE 181          3HD1      ILE 181 -21.852  -6.652  -2.166
  427   HD12  ILE 181          1HD1      ILE 181 -21.257  -5.249  -3.055
  428   HD13  ILE 181          2HD1      ILE 181 -20.762  -5.510  -1.382
  429    H    VAL 182           H        VAL 182 -15.841  -5.772  -1.813
  430    HA   VAL 182           HA       VAL 182 -14.550  -3.862  -3.409
  431    HB   VAL 182           HB       VAL 182 -13.643  -5.171  -0.837
  432   HG11  VAL 182          1HG1      VAL 182 -12.022  -3.348  -0.636
  433   HG12  VAL 182          2HG1      VAL 182 -12.469  -2.772  -2.242
  434   HG13  VAL 182          3HG1      VAL 182 -11.693  -4.345  -2.054
  435   HG21  VAL 182          3HG2      VAL 182 -14.869  -2.477  -1.421
  436   HG22  VAL 182          1HG2      VAL 182 -14.310  -3.027   0.161
  437   HG23  VAL 182          2HG2      VAL 182 -15.664  -3.837  -0.629
  438    H    GLY 183           H        GLY 183 -13.524  -7.127  -2.435
  439    HA2  GLY 183           HA2      GLY 183 -11.020  -7.122  -3.681
  440    HA3  GLY 183           HA1      GLY 183 -11.973  -8.554  -3.325
  441    H    CYS 184           H        CYS 184 -14.155  -8.229  -4.936
  442    HA   CYS 184           HA       CYS 184 -13.299  -9.166  -7.408
  443    HB2  CYS 184           HB2      CYS 184 -15.554  -9.568  -6.609
  444    HB3  CYS 184           HB1      CYS 184 -15.920  -7.847  -6.664
  445    HG   CYS 184           HG       CYS 184 -15.004  -8.442  -9.651
  446    H    HIS 185           H        HIS 185 -14.297  -5.873  -6.495
  447    HA   HIS 185           HA       HIS 185 -13.847  -4.891  -9.172
  448    HB2  HIS 185           HB2      HIS 185 -15.567  -3.947  -7.599
  449    HB3  HIS 185           HB1      HIS 185 -14.247  -3.271  -6.652
  450    HD1  HIS 185           HD1      HIS 185 -13.076  -1.185  -7.560
  451    HD2  HIS 185           HD2      HIS 185 -16.028  -2.677 -10.085
  452    HE1  HIS 185           HE1      HIS 185 -13.456   0.599  -9.295
  453    HE2  HIS 185           HE2      HIS 185 -15.378  -0.246 -10.692
  454    H    PHE 186           H        PHE 186 -12.042  -5.084  -6.201
  455    HA   PHE 186           HA       PHE 186 -10.068  -3.162  -6.711
  456    HB2  PHE 186           HB2      PHE 186 -10.575  -4.321  -4.524
  457    HB3  PHE 186           HB1      PHE 186  -9.725  -5.726  -5.153
  458    HD1  PHE 186           HD2      PHE 186  -9.119  -2.058  -4.935
  459    HD2  PHE 186           HD1      PHE 186  -7.610  -5.989  -4.361
  460    HE1  PHE 186           HE2      PHE 186  -7.011  -1.120  -4.103
  461    HE2  PHE 186           HE1      PHE 186  -5.495  -5.062  -3.522
  462    HZ   PHE 186           HZ       PHE 186  -5.189  -2.621  -3.391
  463    H    LYS 187           H        LYS 187 -10.207  -6.634  -7.426
  464    HA   LYS 187           HA       LYS 187  -7.634  -6.787  -8.609
  465    HB2  LYS 187           HB2      LYS 187 -10.071  -8.530  -9.006
  466    HB3  LYS 187           HB1      LYS 187  -8.452  -8.925  -9.568
  467    HG2  LYS 187           HG2      LYS 187  -7.645  -9.028  -7.300
  468    HG3  LYS 187           HG1      LYS 187  -9.215  -8.504  -6.687
  469    HD2  LYS 187           HD2      LYS 187  -8.989 -10.905  -6.445
  470    HD3  LYS 187           HD1      LYS 187 -10.236 -10.534  -7.634
  471    HE2  LYS 187           HE2      LYS 187  -8.585 -10.917  -9.433
  472    HE3  LYS 187           HE1      LYS 187  -7.400 -11.380  -8.210
  473    HZ1  LYS 187           HZ1      LYS 187  -8.886 -13.188  -7.542
  474    HZ2  LYS 187           HZ2      LYS 187  -8.423 -13.325  -9.166
  475    HZ3  LYS 187           HZ3      LYS 187  -9.973 -12.759  -8.771
  476    H    SER 188           H        SER 188 -10.511  -5.385  -9.688
  477    HA   SER 188           HA       SER 188  -9.864  -5.776 -12.514
  478    HB2  SER 188           HB2      SER 188 -12.338  -4.596 -11.232
  479    HB3  SER 188           HB1      SER 188 -12.125  -4.952 -12.946
  480    HG   SER 188           HG       SER 188 -12.382  -6.740 -10.776
  481    H    ILE 189           H        ILE 189  -8.773  -3.740 -10.323
  482    HA   ILE 189           HA       ILE 189  -9.304  -1.219 -11.633
  483    HB   ILE 189           HB       ILE 189  -7.489  -1.961  -9.339
  484   HG12  ILE 189          2HG1      ILE 189 -10.059  -0.363  -9.454
  485   HG13  ILE 189          1HG1      ILE 189  -9.902  -2.015  -8.864
  486   HG21  ILE 189          1HG2      ILE 189  -7.144   0.452  -9.006
  487   HG22  ILE 189          2HG2      ILE 189  -7.996   0.766 -10.518
  488   HG23  ILE 189          3HG2      ILE 189  -6.471  -0.122 -10.533
  489   HD11  ILE 189          3HD1      ILE 189  -8.625   0.427  -7.650
  490   HD12  ILE 189          1HD1      ILE 189  -8.456  -1.225  -7.058
  491   HD13  ILE 189          2HD1      ILE 189 -10.032  -0.435  -7.029
  492    HA   PRO 190           HA       PRO 190  -5.738  -1.699 -14.348
  493    HB2  PRO 190           HB2      PRO 190  -6.624   0.738 -15.621
  494    HB3  PRO 190           HB1      PRO 190  -6.658  -0.906 -16.261
  495    HG2  PRO 190           HG2      PRO 190  -8.900   0.534 -15.624
  496    HG3  PRO 190           HG1      PRO 190  -8.827  -1.237 -15.637
  497    HD2  PRO 190           HD2      PRO 190  -8.677   0.651 -13.318
  498    HD3  PRO 190           HD1      PRO 190  -9.503  -0.917 -13.445
  499    H    VAL 191           H        VAL 191  -3.858  -1.074 -13.461
  500    HA   VAL 191           HA       VAL 191  -3.652   1.703 -12.504
  501    HB   VAL 191           HB       VAL 191  -3.811   0.048 -10.662
  502   HG11  VAL 191          1HG1      VAL 191  -1.893  -1.395 -10.181
  503   HG12  VAL 191          2HG1      VAL 191  -1.187  -0.955 -11.737
  504   HG13  VAL 191          3HG1      VAL 191  -2.715  -1.837 -11.676
  505   HG21  VAL 191          3HG2      VAL 191  -1.179   1.497 -10.853
  506   HG22  VAL 191          1HG2      VAL 191  -1.909   0.882  -9.370
  507   HG23  VAL 191          2HG2      VAL 191  -2.707   2.166 -10.278
  508    H    ASN 192           H        ASN 192  -1.872   2.841 -13.033
  509    HA   ASN 192           HA       ASN 192   0.025   1.576 -14.885
  510    HB2  ASN 192           HB2      ASN 192  -0.555   4.503 -14.348
  511    HB3  ASN 192           HB1      ASN 192   0.664   3.917 -15.471
  512   HD21  ASN 192          1HD2      ASN 192  -1.607   5.591 -16.031
  513   HD22  ASN 192          2HD2      ASN 192  -2.578   4.742 -17.179
  514    H    GLU 193           H        GLU 193   2.250   1.653 -14.526
  515    HA   GLU 193           HA       GLU 193   3.030   1.478 -11.828
  516    HB2  GLU 193           HB2      GLU 193   4.137   0.256 -13.662
  517    HB3  GLU 193           HB1      GLU 193   4.789   1.772 -14.267
  518    HG2  GLU 193           HG2      GLU 193   6.023   2.059 -12.160
  519    HG3  GLU 193           HG1      GLU 193   5.406   0.506 -11.606
  520    H    LYS 194           H        LYS 194   4.113   3.859 -14.265
  521    HA   LYS 194           HA       LYS 194   5.657   5.312 -12.402
  522    HB2  LYS 194           HB2      LYS 194   6.085   5.255 -14.829
  523    HB3  LYS 194           HB1      LYS 194   4.609   6.157 -15.110
  524    HG2  LYS 194           HG2      LYS 194   6.831   7.270 -13.428
  525    HG3  LYS 194           HG1      LYS 194   6.832   7.416 -15.185
  526    HD2  LYS 194           HD2      LYS 194   4.574   8.491 -15.008
  527    HD3  LYS 194           HD1      LYS 194   4.779   8.491 -13.255
  528    HE2  LYS 194           HE2      LYS 194   5.415  10.641 -14.020
  529    HE3  LYS 194           HE1      LYS 194   6.902   9.788 -13.613
  530    HZ1  LYS 194           HZ1      LYS 194   7.216   9.295 -15.964
  531    HZ2  LYS 194           HZ2      LYS 194   7.112  10.968 -15.704
  532    HZ3  LYS 194           HZ3      LYS 194   5.787  10.130 -16.346
  533    H    ASP 195           H        ASP 195   2.498   5.983 -13.878
  534    HA   ASP 195           HA       ASP 195   2.084   8.515 -12.813
  535    HB2  ASP 195           HB2      ASP 195   0.090   6.368 -13.547
  536    HB3  ASP 195           HB1      ASP 195  -0.370   8.012 -13.119
  537    H    THR 196           H        THR 196   1.422   5.360 -11.401
  538    HA   THR 196           HA       THR 196   0.008   6.410  -9.150
  539    HB   THR 196           HB       THR 196   1.224   3.665  -9.502
  540    HG1  THR 196           HG1      THR 196  -0.267   3.623 -11.025
  541   HG21  THR 196          3HG2      THR 196  -0.970   4.663  -7.682
  542   HG22  THR 196          1HG2      THR 196   0.649   4.173  -7.183
  543   HG23  THR 196          2HG2      THR 196  -0.465   2.982  -7.855
  544    H    LEU 197           H        LEU 197   3.332   5.361  -9.781
  545    HA   LEU 197           HA       LEU 197   4.275   5.505  -7.142
  546    HB2  LEU 197           HB2      LEU 197   5.790   6.154  -9.675
  547    HB3  LEU 197           HB1      LEU 197   6.508   5.817  -8.113
  548    HG   LEU 197           HG       LEU 197   5.109   3.909  -9.964
  549   HD11  LEU 197          1HD1      LEU 197   7.194   2.642  -9.716
  550   HD12  LEU 197          2HD1      LEU 197   7.835   3.920  -8.680
  551   HD13  LEU 197          3HD1      LEU 197   7.468   4.257 -10.373
  552   HD21  LEU 197          3HD2      LEU 197   4.226   3.506  -7.739
  553   HD22  LEU 197          1HD2      LEU 197   5.862   3.430  -7.087
  554   HD23  LEU 197          2HD2      LEU 197   5.309   2.202  -8.228
  555    H    THR 198           H        THR 198   4.179   7.953  -9.712
  556    HA   THR 198           HA       THR 198   5.264  10.076  -8.252
  557    HB   THR 198           HB       THR 198   3.191  10.206 -10.456
  558    HG1  THR 198           HG1      THR 198   6.052  10.198 -10.513
  559   HG21  THR 198          3HG2      THR 198   4.088  12.444 -10.886
  560   HG22  THR 198          1HG2      THR 198   5.178  12.280  -9.508
  561   HG23  THR 198          2HG2      THR 198   3.435  12.336  -9.252
  562    H    CYS 199           H        CYS 199   1.891   8.997  -8.582
  563    HA   CYS 199           HA       CYS 199   0.621  10.986  -7.123
  564    HB2  CYS 199           HB2      CYS 199   0.041   8.052  -7.481
  565    HB3  CYS 199           HB1      CYS 199  -1.040   9.117  -6.604
  566    HG   CYS 199           HG       CYS 199  -0.258   9.189  -9.924
  567    H    PHE 200           H        PHE 200   1.822   7.849  -5.949
  568    HA   PHE 200           HA       PHE 200   1.078   8.268  -3.267
  569    HB2  PHE 200           HB2      PHE 200   1.496   6.043  -4.194
  570    HB3  PHE 200           HB1      PHE 200   3.200   6.446  -4.410
  571    HD1  PHE 200           HD2      PHE 200   0.694   6.646  -1.652
  572    HD2  PHE 200           HD1      PHE 200   4.599   5.488  -2.878
  573    HE1  PHE 200           HE2      PHE 200   1.160   5.826   0.619
  574    HE2  PHE 200           HE1      PHE 200   5.071   4.666  -0.610
  575    HZ   PHE 200           HZ       PHE 200   3.347   4.833   1.137
  576    H    ILE 201           H        ILE 201   4.195   8.654  -4.923
  577    HA   ILE 201           HA       ILE 201   5.712   9.276  -2.675
  578    HB   ILE 201           HB       ILE 201   6.081  10.147  -5.543
  579   HG12  ILE 201          2HG1      ILE 201   7.440   8.001  -3.894
  580   HG13  ILE 201          1HG1      ILE 201   6.165   7.713  -5.073
  581   HG21  ILE 201          1HG2      ILE 201   7.249  11.713  -4.093
  582   HG22  ILE 201          2HG2      ILE 201   8.402  10.680  -4.937
  583   HG23  ILE 201          3HG2      ILE 201   8.022  10.375  -3.242
  584   HD11  ILE 201          3HD1      ILE 201   8.360   7.188  -5.965
  585   HD12  ILE 201          1HD1      ILE 201   8.885   8.844  -5.667
  586   HD13  ILE 201          2HD1      ILE 201   7.615   8.521  -6.848
  587    H    TYR 202           H        TYR 202   4.119  11.511  -4.974
  588    HA   TYR 202           HA       TYR 202   4.882  13.882  -3.702
  589    HB2  TYR 202           HB2      TYR 202   2.804  13.115  -5.662
  590    HB3  TYR 202           HB1      TYR 202   2.532  14.622  -4.793
  591    HD1  TYR 202           HD1      TYR 202   4.976  12.832  -6.937
  592    HD2  TYR 202           HD2      TYR 202   3.686  16.574  -5.382
  593    HE1  TYR 202           HE1      TYR 202   6.510  13.992  -8.466
  594    HE2  TYR 202           HE2      TYR 202   5.216  17.743  -6.906
  595    HH   TYR 202           HH       TYR 202   7.283  17.290  -8.140
  596    H    SER 203           H        SER 203   2.125  11.762  -3.113
  597    HA   SER 203           HA       SER 203   0.708  13.465  -1.392
  598    HB2  SER 203           HB2      SER 203   0.843  10.437  -1.315
  599    HB3  SER 203           HB1      SER 203  -0.414  11.439  -0.591
  600    HG   SER 203           HG       SER 203   0.177  11.103  -3.351
  601    H    VAL 204           H        VAL 204   3.118  10.953  -0.663
  602    HA   VAL 204           HA       VAL 204   2.957  11.430   2.160
  603    HB   VAL 204           HB       VAL 204   5.053   9.831   0.694
  604   HG11  VAL 204          1HG1      VAL 204   4.007   9.666   3.516
  605   HG12  VAL 204          2HG1      VAL 204   5.574  10.311   3.027
  606   HG13  VAL 204          3HG1      VAL 204   5.213   8.600   2.796
  607   HG21  VAL 204          3HG2      VAL 204   2.829   9.086   0.031
  608   HG22  VAL 204          1HG2      VAL 204   2.366   8.931   1.725
  609   HG23  VAL 204          2HG2      VAL 204   3.620   7.887   1.055
  610    H    ARG 205           H        ARG 205   4.945  12.638  -0.426
  611    HA   ARG 205           HA       ARG 205   7.114  13.561   1.152
  612    HB2  ARG 205           HB2      ARG 205   6.058  14.429  -1.536
  613    HB3  ARG 205           HB1      ARG 205   7.470  15.168  -0.796
  614    HG2  ARG 205           HG2      ARG 205   7.392  12.211  -1.105
  615    HG3  ARG 205           HG1      ARG 205   7.701  13.214  -2.521
  616    HD2  ARG 205           HD2      ARG 205   9.790  12.531  -1.517
  617    HD3  ARG 205           HD1      ARG 205   9.580  14.269  -1.350
  618    HE   ARG 205           HE       ARG 205   8.886  13.771   0.999
  619   HH11  ARG 205          1HH1      ARG 205  10.907  11.521  -0.790
  620   HH12  ARG 205          2HH1      ARG 205  11.702  10.916   0.635
  621   HH21  ARG 205          1HH2      ARG 205   9.907  12.970   2.870
  622   HH22  ARG 205          2HH2      ARG 205  11.138  11.742   2.728
  623    H    ASN 206           H        ASN 206   3.899  14.701   0.728
  624    HA   ASN 206           HA       ASN 206   4.616  17.301   1.901
  625    HB2  ASN 206           HB2      ASN 206   2.115  16.430   0.442
  626    HB3  ASN 206           HB1      ASN 206   2.297  17.991   1.234
  627   HD21  ASN 206          1HD2      ASN 206   5.159  18.127   0.459
  628   HD22  ASN 206          2HD2      ASN 206   5.149  18.560  -1.214
  629    H    ASP 207           H        ASP 207   2.319  14.622   2.225
  630    HA   ASP 207           HA       ASP 207   2.177  15.054   5.083
  631    HB2  ASP 207           HB2      ASP 207  -0.303  15.115   5.090
  632    HB3  ASP 207           HB1      ASP 207   0.410  16.536   4.335
  633    H    LYS 208           H        LYS 208  -0.229  13.407   5.282
  634    HA   LYS 208           HA       LYS 208   0.840  10.850   4.324
  635    HB2  LYS 208           HB2      LYS 208   0.125  11.550   7.168
  636    HB3  LYS 208           HB1      LYS 208   0.338   9.895   6.605
  637    HG2  LYS 208           HG2      LYS 208   2.601  10.132   6.324
  638    HG3  LYS 208           HG1      LYS 208   2.504  11.879   6.102
  639    HD2  LYS 208           HD2      LYS 208   1.995  12.135   8.492
  640    HD3  LYS 208           HD1      LYS 208   2.127  10.385   8.697
  641    HE2  LYS 208           HE2      LYS 208   4.435  10.404   8.174
  642    HE3  LYS 208           HE1      LYS 208   4.360  12.063   7.584
  643    HZ1  LYS 208           HZ1      LYS 208   5.361  11.821   9.818
  644    HZ2  LYS 208           HZ2      LYS 208   3.858  11.288  10.405
  645    HZ3  LYS 208           HZ3      LYS 208   4.018  12.858   9.779
  646    H    ASN 209           H        ASN 209  -1.605  12.703   3.875
  647    HA   ASN 209           HA       ASN 209  -3.419  10.707   3.123
  648    HB2  ASN 209           HB2      ASN 209  -3.739  11.594   5.886
  649    HB3  ASN 209           HB1      ASN 209  -5.183  11.881   4.918
  650   HD21  ASN 209          1HD2      ASN 209  -4.663   9.994   7.115
  651   HD22  ASN 209          2HD2      ASN 209  -5.066   8.433   6.476
  652    H    LYS 210           H        LYS 210  -3.562  11.883   1.266
  653    HA   LYS 210           HA       LYS 210  -5.417  14.050   1.211
  654    HB2  LYS 210           HB2      LYS 210  -3.359  15.252   1.899
  655    HB3  LYS 210           HB1      LYS 210  -2.545  14.651   0.462
  656    HG2  LYS 210           HG2      LYS 210  -4.135  15.878  -0.943
  657    HG3  LYS 210           HG1      LYS 210  -4.933  16.489   0.506
  658    HD2  LYS 210           HD2      LYS 210  -3.521  18.233  -0.115
  659    HD3  LYS 210           HD1      LYS 210  -2.613  17.403   1.146
  660    HE2  LYS 210           HE2      LYS 210  -2.224  17.024  -1.823
  661    HE3  LYS 210           HE1      LYS 210  -1.220  18.039  -0.793
  662    HZ1  LYS 210           HZ1      LYS 210  -0.808  15.919   0.531
  663    HZ2  LYS 210           HZ2      LYS 210  -0.064  16.045  -0.986
  664    HZ3  LYS 210           HZ3      LYS 210  -1.447  15.090  -0.810
  665    H    SER 211           H        SER 211  -6.264  14.332  -0.833
  666    HA   SER 211           HA       SER 211  -5.516  12.392  -2.827
  667    HB2  SER 211           HB2      SER 211  -7.390  13.686  -4.107
  668    HB3  SER 211           HB1      SER 211  -7.829  12.671  -2.733
  669    HG   SER 211           HG       SER 211  -8.386  14.386  -1.630
  670    H    ASP 212           H        ASP 212  -5.453  13.315  -5.201
  671    HA   ASP 212           HA       ASP 212  -3.148  15.040  -5.254
  672    HB2  ASP 212           HB2      ASP 212  -3.225  13.177  -6.797
  673    HB3  ASP 212           HB1      ASP 212  -4.725  13.771  -7.501
  674    H    LEU 213           H        LEU 213  -3.793  17.034  -4.555
  675    HA   LEU 213           HA       LEU 213  -5.184  18.622  -6.540
  676    HB2  LEU 213           HB2      LEU 213  -6.580  19.719  -4.812
  677    HB3  LEU 213           HB1      LEU 213  -6.989  18.040  -5.087
  678    HG   LEU 213           HG       LEU 213  -5.478  17.597  -3.003
  679   HD11  LEU 213          1HD1      LEU 213  -6.242  20.478  -2.548
  680   HD12  LEU 213          2HD1      LEU 213  -4.607  19.877  -2.825
  681   HD13  LEU 213          3HD1      LEU 213  -5.488  19.397  -1.373
  682   HD21  LEU 213          3HD2      LEU 213  -8.197  18.872  -2.759
  683   HD22  LEU 213          1HD2      LEU 213  -7.418  17.850  -1.549
  684   HD23  LEU 213          2HD2      LEU 213  -7.874  17.176  -3.113
  685    H    LYS 214           H        LYS 214  -4.626  20.810  -6.512
  686    HA   LYS 214           HA       LYS 214  -2.443  21.511  -4.660
  687    HB2  LYS 214           HB2      LYS 214  -2.668  22.012  -7.618
  688    HB3  LYS 214           HB1      LYS 214  -1.669  23.036  -6.601
  689    HG2  LYS 214           HG2      LYS 214  -0.178  21.478  -7.452
  690    HG3  LYS 214           HG1      LYS 214  -0.544  20.860  -5.843
  691    HD2  LYS 214           HD2      LYS 214  -2.160  19.296  -6.816
  692    HD3  LYS 214           HD1      LYS 214  -1.789  19.916  -8.428
  693    HE2  LYS 214           HE2      LYS 214   0.617  19.272  -7.974
  694    HE3  LYS 214           HE1      LYS 214   0.029  18.419  -6.549
  695    HZ1  LYS 214           HZ1      LYS 214  -0.964  17.874  -9.293
  696    HZ2  LYS 214           HZ2      LYS 214  -1.227  16.942  -7.898
  697    HZ3  LYS 214           HZ3      LYS 214   0.322  17.031  -8.583
  698    H    ALA 215           H        ALA 215  -5.083  22.001  -4.060
  699    HA   ALA 215           HA       ALA 215  -5.790  24.692  -4.837
  700    HB1  ALA 215           HB1      ALA 215  -7.529  23.008  -4.505
  701    HB2  ALA 215           HB2      ALA 215  -7.743  24.368  -3.402
  702    HB3  ALA 215           HB3      ALA 215  -7.061  22.852  -2.812
  703    H    ASP 216           H        ASP 216  -3.371  23.846  -3.058
  704    HA   ASP 216           HA       ASP 216  -3.882  25.358  -0.638
  705    HB2  ASP 216           HB2      ASP 216  -2.538  23.493  -0.198
  706    HB3  ASP 216           HB1      ASP 216  -1.564  23.733  -1.644
  707    H    SER 217           H        SER 217  -3.752  27.470  -0.643
  708    HA   SER 217           HA       SER 217  -1.578  28.731  -2.176
  709    HB2  SER 217           HB2      SER 217  -4.372  29.800  -1.680
  710    HB3  SER 217           HB1      SER 217  -3.066  30.712  -2.441
  711    HG   SER 217           HG       SER 217  -4.765  29.207  -3.674
  712    H    GLY 218           H        GLY 218  -1.925  27.735   0.663
  713    HA2  GLY 218           HA2      GLY 218  -0.320  29.010   2.196
  714    HA3  GLY 218           HA1      GLY 218  -1.519  30.290   2.079
  715    H    VAL 219           H        VAL 219  -0.634  29.006   4.466
  716    HA   VAL 219           HA       VAL 219  -2.424  27.035   5.376
  717    HB   VAL 219           HB       VAL 219  -1.772  27.687   7.661
  718   HG11  VAL 219          1HG1      VAL 219   0.550  27.544   5.742
  719   HG12  VAL 219          2HG1      VAL 219  -0.361  26.172   6.372
  720   HG13  VAL 219          3HG1      VAL 219   0.600  27.168   7.463
  721   HG21  VAL 219          3HG2      VAL 219  -0.176  29.891   6.352
  722   HG22  VAL 219          1HG2      VAL 219  -0.193  29.479   8.066
  723   HG23  VAL 219          2HG2      VAL 219  -1.646  30.123   7.299
  724    H    HIS 220           H        HIS 220  -4.309  27.137   6.548
  725    HA   HIS 220           HA       HIS 220  -5.592  29.716   6.952
  726    HB2  HIS 220           HB2      HIS 220  -6.539  27.643   4.998
  727    HB3  HIS 220           HB1      HIS 220  -7.713  28.646   5.843
  728    HD1  HIS 220           HD1      HIS 220  -4.859  28.900   3.374
  729    HD2  HIS 220           HD2      HIS 220  -7.972  31.213   4.884
  730    HE1  HIS 220           HE1      HIS 220  -4.950  30.949   1.923
  731    HE2  HIS 220           HE2      HIS 220  -6.917  32.278   2.773
  732    H1   SER 454           HT1      SER 454  28.226  14.889 -10.092
  733    H2   SER 454           HT2      SER 454  28.044  15.481 -11.671
  734    H3   SER 454           HT3      SER 454  29.404  15.910 -10.760
  735    HA   SER 454           HA       SER 454  29.997  14.267 -12.378
  736    HB2  SER 454           HB2      SER 454  29.923  13.127  -9.572
  737    HB3  SER 454           HB1      SER 454  31.034  12.653 -10.857
  738    HG   SER 454           HG       SER 454  32.263  14.213 -10.195
  739    H    ASN 455           H        ASN 455  26.895  14.008 -11.544
  740    HA   ASN 455           HA       ASN 455  26.617  11.416 -12.823
  741    HB2  ASN 455           HB2      ASN 455  26.739  10.924 -10.376
  742    HB3  ASN 455           HB1      ASN 455  25.334  11.953 -10.128
  743   HD21  ASN 455          1HD2      ASN 455  26.495   8.929 -11.397
  744   HD22  ASN 455          2HD2      ASN 455  24.938   8.177 -11.565
  745    H    ALA 456           H        ALA 456  24.372  10.995 -13.466
  746    HA   ALA 456           HA       ALA 456  23.244  13.300 -14.668
  747    HB1  ALA 456           HB1      ALA 456  21.600  11.783 -15.590
  748    HB2  ALA 456           HB2      ALA 456  22.080  10.528 -14.447
  749    HB3  ALA 456           HB3      ALA 456  23.209  11.065 -15.692
  750    H    SER 457           H        SER 457  20.700  13.464 -14.593
  751    HA   SER 457           HA       SER 457  20.065  14.315 -11.917
  752    HB2  SER 457           HB2      SER 457  19.430  15.584 -14.001
  753    HB3  SER 457           HB1      SER 457  18.266  14.307 -14.353
  754    HG   SER 457           HG       SER 457  17.721  16.372 -13.012
  755    H    LYS 458           H        LYS 458  17.648  13.806 -11.242
  756    HA   LYS 458           HA       LYS 458  17.340  10.877 -11.377
  757    HB2  LYS 458           HB2      LYS 458  16.909  12.594  -8.921
  758    HB3  LYS 458           HB1      LYS 458  16.762  10.845  -9.014
  759    HG2  LYS 458           HG2      LYS 458  19.304  12.411  -9.411
  760    HG3  LYS 458           HG1      LYS 458  18.846  11.537  -7.949
  761    HD2  LYS 458           HD2      LYS 458  19.015   9.446  -9.024
  762    HD3  LYS 458           HD1      LYS 458  19.055  10.186 -10.626
  763    HE2  LYS 458           HE2      LYS 458  21.226  11.173 -10.121
  764    HE3  LYS 458           HE1      LYS 458  21.185  10.457  -8.511
  765    HZ1  LYS 458           HZ1      LYS 458  21.548   8.366  -9.330
  766    HZ2  LYS 458           HZ2      LYS 458  22.447   9.292 -10.431
  767    HZ3  LYS 458           HZ3      LYS 458  20.912   8.717 -10.863
  768    H    HIS 459           H        HIS 459  15.130  10.171 -10.623
  769    HA   HIS 459           HA       HIS 459  13.128  12.073 -11.659
  770    HB2  HIS 459           HB2      HIS 459  13.150   9.047 -11.702
  771    HB3  HIS 459           HB1      HIS 459  11.761  10.024 -12.163
  772    HD1  HIS 459           HD1      HIS 459  14.820   8.556 -13.496
  773    HD2  HIS 459           HD2      HIS 459  12.301  11.717 -14.488
  774    HE1  HIS 459           HE1      HIS 459  15.356   9.131 -15.889
  775    HE2  HIS 459           HE2      HIS 459  13.789  11.021 -16.488
  776    H    GLY 460           H        GLY 460  14.265  11.429  -8.872
  777    HA2  GLY 460           HA2      GLY 460  11.676  11.617  -7.541
  778    HA3  GLY 460           HA1      GLY 460  12.740  10.306  -7.042
  779    H    VAL 461           H        VAL 461  12.351  11.632  -4.975
  780    HA   VAL 461           HA       VAL 461  13.996  14.003  -4.752
  781    HB   VAL 461           HB       VAL 461  12.501  12.475  -2.612
  782   HG11  VAL 461          1HG1      VAL 461  14.338  13.783  -1.683
  783   HG12  VAL 461          2HG1      VAL 461  12.783  14.496  -1.254
  784   HG13  VAL 461          3HG1      VAL 461  13.761  15.217  -2.532
  785   HG21  VAL 461          3HG2      VAL 461  10.842  14.267  -2.780
  786   HG22  VAL 461          1HG2      VAL 461  11.014  13.404  -4.308
  787   HG23  VAL 461          2HG2      VAL 461  11.755  14.990  -4.104
  788    H    GLY 462           H        GLY 462  13.986  10.710  -3.374
  789    HA2  GLY 462           HA2      GLY 462  16.880  10.677  -3.520
  790    HA3  GLY 462           HA1      GLY 462  16.221  10.633  -1.892
  791    H    THR 463           H        THR 463  15.158   8.796  -1.168
  792    HA   THR 463           HA       THR 463  16.144   6.417  -2.505
  793    HB   THR 463           HB       THR 463  15.280   5.366  -0.286
  794    HG1  THR 463           HG1      THR 463  15.148   6.897   1.403
  795   HG21  THR 463          3HG2      THR 463  17.378   5.988   0.824
  796   HG22  THR 463          1HG2      THR 463  17.604   7.296  -0.337
  797   HG23  THR 463          2HG2      THR 463  17.641   5.618  -0.881
  798    H    GLU 464           H        GLU 464  13.198   8.036  -2.538
  799    HA   GLU 464           HA       GLU 464  11.385   5.905  -2.246
  800    HB2  GLU 464           HB2      GLU 464   9.928   7.334  -3.873
  801    HB3  GLU 464           HB1      GLU 464  10.274   7.919  -2.255
  802    HG2  GLU 464           HG2      GLU 464  12.093   8.726  -4.459
  803    HG3  GLU 464           HG1      GLU 464  10.493   9.463  -4.372
  804    H    SER 465           H        SER 465  13.139   7.045  -5.105
  805    HA   SER 465           HA       SER 465  12.001   5.247  -6.942
  806    HB2  SER 465           HB2      SER 465  14.764   6.488  -6.905
  807    HB3  SER 465           HB1      SER 465  14.051   5.662  -8.290
  808    HG   SER 465           HG       SER 465  12.561   7.256  -8.497
  809    H    LEU 466           H        LEU 466  14.595   4.919  -4.616
  810    HA   LEU 466           HA       LEU 466  15.576   2.410  -5.495
  811    HB2  LEU 466           HB2      LEU 466  16.915   3.816  -4.061
  812    HB3  LEU 466           HB1      LEU 466  15.686   3.785  -2.811
  813    HG   LEU 466           HG       LEU 466  16.103   1.387  -2.460
  814   HD11  LEU 466          1HD1      LEU 466  16.833   0.790  -4.700
  815   HD12  LEU 466          2HD1      LEU 466  18.034   0.315  -3.499
  816   HD13  LEU 466          3HD1      LEU 466  18.299   1.751  -4.491
  817   HD21  LEU 466          3HD2      LEU 466  18.572   3.110  -2.333
  818   HD22  LEU 466          1HD2      LEU 466  18.307   1.620  -1.428
  819   HD23  LEU 466          2HD2      LEU 466  17.293   3.030  -1.120
  820    H    PHE 467           H        PHE 467  13.294   3.349  -2.939
  821    HA   PHE 467           HA       PHE 467  12.590   0.865  -1.976
  822    HB2  PHE 467           HB2      PHE 467  11.782   2.875  -0.936
  823    HB3  PHE 467           HB1      PHE 467  10.898   3.331  -2.385
  824    HD1  PHE 467           HD2      PHE 467  11.062   0.634   0.180
  825    HD2  PHE 467           HD1      PHE 467   8.655   2.828  -2.558
  826    HE1  PHE 467           HE2      PHE 467   9.051  -0.488   1.052
  827    HE2  PHE 467           HE1      PHE 467   6.644   1.711  -1.692
  828    HZ   PHE 467           HZ       PHE 467   6.840   0.050   0.115
  829    H    PHE 468           H        PHE 468  10.899   2.631  -4.587
  830    HA   PHE 468           HA       PHE 468   9.062   0.556  -5.058
  831    HB2  PHE 468           HB2      PHE 468   9.881   2.921  -6.729
  832    HB3  PHE 468           HB1      PHE 468   8.617   1.796  -7.226
  833    HD1  PHE 468           HD1      PHE 468   6.819   1.320  -5.340
  834    HD2  PHE 468           HD2      PHE 468   9.238   4.806  -5.594
  835    HE1  PHE 468           HE1      PHE 468   5.178   2.553  -3.983
  836    HE2  PHE 468           HE2      PHE 468   7.606   6.043  -4.235
  837    HZ   PHE 468           HZ       PHE 468   5.572   4.914  -3.429
  838    H    ASP 469           H        ASP 469  12.153   1.315  -6.636
  839    HA   ASP 469           HA       ASP 469  11.897  -0.642  -8.663
  840    HB2  ASP 469           HB2      ASP 469  13.566   1.131  -8.826
  841    HB3  ASP 469           HB1      ASP 469  14.396   0.510  -7.403
  842    H    LYS 470           H        LYS 470  13.250  -0.739  -5.393
  843    HA   LYS 470           HA       LYS 470  14.173  -3.401  -5.508
  844    HB2  LYS 470           HB2      LYS 470  14.893  -1.780  -3.793
  845    HB3  LYS 470           HB1      LYS 470  13.276  -1.800  -3.105
  846    HG2  LYS 470           HG2      LYS 470  13.519  -4.098  -2.456
  847    HG3  LYS 470           HG1      LYS 470  15.068  -4.208  -3.297
  848    HD2  LYS 470           HD2      LYS 470  14.597  -2.232  -1.086
  849    HD3  LYS 470           HD1      LYS 470  15.130  -3.885  -0.759
  850    HE2  LYS 470           HE2      LYS 470  17.073  -3.512  -2.232
  851    HE3  LYS 470           HE1      LYS 470  16.547  -1.847  -2.479
  852    HZ1  LYS 470           HZ1      LYS 470  16.916  -1.362  -0.195
  853    HZ2  LYS 470           HZ2      LYS 470  18.307  -2.141  -0.771
  854    HZ3  LYS 470           HZ3      LYS 470  17.194  -2.992   0.187
  855    H    VAL 471           H        VAL 471  11.082  -1.987  -4.440
  856    HA   VAL 471           HA       VAL 471   9.822  -4.381  -3.677
  857    HB   VAL 471           HB       VAL 471   8.531  -1.947  -4.933
  858   HG11  VAL 471          1HG1      VAL 471   6.484  -2.725  -3.796
  859   HG12  VAL 471          2HG1      VAL 471   7.331  -4.203  -3.335
  860   HG13  VAL 471          3HG1      VAL 471   7.045  -3.843  -5.038
  861   HG21  VAL 471          3HG2      VAL 471   8.976  -2.645  -2.034
  862   HG22  VAL 471          1HG2      VAL 471   8.009  -1.290  -2.621
  863   HG23  VAL 471          2HG2      VAL 471   9.744  -1.336  -2.933
  864    H    ARG 472           H        ARG 472   9.821  -2.668  -6.772
  865    HA   ARG 472           HA       ARG 472   8.150  -4.342  -8.215
  866    HB2  ARG 472           HB2      ARG 472   8.962  -2.110  -8.929
  867    HB3  ARG 472           HB1      ARG 472  10.537  -2.803  -9.253
  868    HG2  ARG 472           HG2      ARG 472   9.574  -4.192 -10.977
  869    HG3  ARG 472           HG1      ARG 472   7.971  -3.553 -10.627
  870    HD2  ARG 472           HD2      ARG 472   8.992  -2.473 -12.581
  871    HD3  ARG 472           HD1      ARG 472   8.675  -1.334 -11.275
  872    HE   ARG 472           HE       ARG 472  11.300  -2.210 -10.977
  873   HH11  ARG 472          1HH1      ARG 472   9.397  -0.431 -13.330
  874   HH12  ARG 472          2HH1      ARG 472  10.754   0.486 -13.915
  875   HH21  ARG 472          1HH2      ARG 472  13.068  -0.942 -11.699
  876   HH22  ARG 472          2HH2      ARG 472  12.822   0.209 -12.976
  877    H    LYS 473           H        LYS 473  11.585  -4.673  -7.515
  878    HA   LYS 473           HA       LYS 473  11.828  -6.954  -9.293
  879    HB2  LYS 473           HB2      LYS 473  13.689  -5.352  -9.064
  880    HB3  LYS 473           HB1      LYS 473  13.840  -5.779  -7.365
  881    HG2  LYS 473           HG2      LYS 473  15.532  -6.902  -8.672
  882    HG3  LYS 473           HG1      LYS 473  14.400  -8.080  -8.003
  883    HD2  LYS 473           HD2      LYS 473  13.194  -8.041 -10.191
  884    HD3  LYS 473           HD1      LYS 473  14.489  -7.027 -10.829
  885    HE2  LYS 473           HE2      LYS 473  14.792  -9.813  -9.715
  886    HE3  LYS 473           HE1      LYS 473  14.816  -9.373 -11.421
  887    HZ1  LYS 473           HZ1      LYS 473  16.794  -8.570  -9.354
  888    HZ2  LYS 473           HZ2      LYS 473  16.791  -7.995 -10.950
  889    HZ3  LYS 473           HZ3      LYS 473  17.047  -9.644 -10.644
  890    H    ALA 474           H        ALA 474  12.010  -6.382  -5.772
  891    HA   ALA 474           HA       ALA 474  12.658  -9.098  -5.191
  892    HB1  ALA 474           HB1      ALA 474  11.670  -6.956  -3.316
  893    HB2  ALA 474           HB2      ALA 474  13.355  -7.233  -3.760
  894    HB3  ALA 474           HB3      ALA 474  12.465  -8.464  -2.863
  895    H    LEU 475           H        LEU 475   9.640  -7.387  -5.527
  896    HA   LEU 475           HA       LEU 475   8.056  -9.221  -4.026
  897    HB2  LEU 475           HB2      LEU 475   7.513  -6.813  -4.843
  898    HB3  LEU 475           HB1      LEU 475   6.998  -7.601  -6.315
  899    HG   LEU 475           HG       LEU 475   5.286  -8.832  -5.138
  900   HD11  LEU 475          1HD1      LEU 475   4.894  -8.507  -2.745
  901   HD12  LEU 475          2HD1      LEU 475   6.341  -7.503  -2.641
  902   HD13  LEU 475          3HD1      LEU 475   6.482  -9.215  -3.043
  903   HD21  LEU 475          3HD2      LEU 475   5.302  -5.918  -4.347
  904   HD22  LEU 475          1HD2      LEU 475   3.886  -6.969  -4.367
  905   HD23  LEU 475          2HD2      LEU 475   4.715  -6.579  -5.873
  906    H    ARG 476           H        ARG 476   9.444  -9.228  -7.147
  907    HA   ARG 476           HA       ARG 476   9.787 -10.924  -8.614
  908    HB2  ARG 476           HB2      ARG 476   9.671 -12.331  -6.495
  909    HB3  ARG 476           HB1      ARG 476   8.003 -12.671  -6.921
  910    HG2  ARG 476           HG2      ARG 476  10.212 -13.246  -8.856
  911    HG3  ARG 476           HG1      ARG 476   9.851 -14.365  -7.545
  912    HD2  ARG 476           HD2      ARG 476   7.424 -14.245  -8.405
  913    HD3  ARG 476           HD1      ARG 476   8.133 -13.560  -9.867
  914    HE   ARG 476           HE       ARG 476   9.596 -15.804  -9.472
  915   HH11  ARG 476          1HH1      ARG 476   6.168 -15.183  -9.724
  916   HH12  ARG 476          2HH1      ARG 476   5.770 -16.799 -10.230
  917   HH21  ARG 476          1HH2      ARG 476   9.109 -17.916 -10.154
  918   HH22  ARG 476          2HH2      ARG 476   7.457 -18.356 -10.503
  919    H    SER 477           H        SER 477   6.451 -10.610  -7.498
  920    HA   SER 477           HA       SER 477   5.490 -11.351 -10.162
  921    HB2  SER 477           HB2      SER 477   4.373 -12.531  -8.412
  922    HB3  SER 477           HB1      SER 477   4.101 -11.051  -7.495
  923    HG   SER 477           HG       SER 477   2.807 -11.986  -9.820
  924    H    ALA 478           H        ALA 478   4.941  -9.854 -11.582
  925    HA   ALA 478           HA       ALA 478   4.773  -7.079 -10.943
  926    HB1  ALA 478           HB1      ALA 478   4.100  -6.776 -13.263
  927    HB2  ALA 478           HB2      ALA 478   3.842  -8.512 -13.432
  928    HB3  ALA 478           HB3      ALA 478   5.467  -7.886 -13.161
  929    H    GLU 479           H        GLU 479   2.520  -9.709 -11.171
  930    HA   GLU 479           HA       GLU 479   0.107  -8.245 -11.198
  931    HB2  GLU 479           HB2      GLU 479   0.529 -10.919  -9.852
  932    HB3  GLU 479           HB1      GLU 479  -0.973 -10.277 -10.494
  933    HG2  GLU 479           HG2      GLU 479  -0.317 -11.873 -12.048
  934    HG3  GLU 479           HG1      GLU 479   0.175 -10.345 -12.773
  935    H    ALA 480           H        ALA 480   2.105  -9.540  -8.586
  936    HA   ALA 480           HA       ALA 480   0.516  -8.618  -6.442
  937    HB1  ALA 480           HB1      ALA 480   3.491  -9.106  -6.491
  938    HB2  ALA 480           HB2      ALA 480   2.258 -10.337  -6.219
  939    HB3  ALA 480           HB3      ALA 480   2.466  -9.024  -5.060
  940    H    TYR 481           H        TYR 481   3.218  -7.184  -8.210
  941    HA   TYR 481           HA       TYR 481   3.447  -4.824  -6.684
  942    HB2  TYR 481           HB2      TYR 481   5.141  -5.635  -8.322
  943    HB3  TYR 481           HB1      TYR 481   4.043  -5.208  -9.629
  944    HD1  TYR 481           HD1      TYR 481   5.644  -3.637  -6.633
  945    HD2  TYR 481           HD2      TYR 481   4.354  -3.177 -10.662
  946    HE1  TYR 481           HE1      TYR 481   6.602  -1.375  -6.674
  947    HE2  TYR 481           HE2      TYR 481   5.307  -0.913 -10.713
  948    HH   TYR 481           HH       TYR 481   5.927   0.867  -9.135
  949    H    GLU 482           H        GLU 482   1.460  -5.691  -9.464
  950    HA   GLU 482           HA       GLU 482   0.213  -3.237  -9.937
  951    HB2  GLU 482           HB2      GLU 482  -0.072  -5.148 -11.428
  952    HB3  GLU 482           HB1      GLU 482  -0.917  -6.038 -10.167
  953    HG2  GLU 482           HG2      GLU 482  -2.614  -4.146 -10.194
  954    HG3  GLU 482           HG1      GLU 482  -1.849  -3.635 -11.697
  955    H    ASN 483           H        ASN 483  -0.617  -5.837  -7.664
  956    HA   ASN 483           HA       ASN 483  -2.988  -4.690  -6.686
  957    HB2  ASN 483           HB2      ASN 483  -2.340  -7.056  -6.356
  958    HB3  ASN 483           HB1      ASN 483  -1.070  -6.539  -5.250
  959   HD21  ASN 483          1HD2      ASN 483  -1.618  -5.791  -3.216
  960   HD22  ASN 483          2HD2      ASN 483  -3.194  -6.004  -2.556
  961    H    PHE 484           H        PHE 484   0.365  -4.463  -5.596
  962    HA   PHE 484           HA       PHE 484   0.004  -2.852  -3.352
  963    HB2  PHE 484           HB2      PHE 484   2.154  -3.817  -3.794
  964    HB3  PHE 484           HB1      PHE 484   2.260  -3.019  -5.358
  965    HD1  PHE 484           HD1      PHE 484   2.004  -2.219  -1.720
  966    HD2  PHE 484           HD2      PHE 484   3.473  -1.073  -5.551
  967    HE1  PHE 484           HE1      PHE 484   3.234  -0.357  -0.686
  968    HE2  PHE 484           HE2      PHE 484   4.705   0.791  -4.516
  969    HZ   PHE 484           HZ       PHE 484   4.586   1.150  -2.086
  970    H    LEU 485           H        LEU 485   0.491  -1.941  -6.744
  971    HA   LEU 485           HA       LEU 485   0.357   0.844  -6.324
  972    HB2  LEU 485           HB2      LEU 485  -0.240  -0.760  -8.805
  973    HB3  LEU 485           HB1      LEU 485   0.003   0.977  -8.758
  974    HG   LEU 485           HG       LEU 485   2.067  -1.130  -8.109
  975   HD11  LEU 485          1HD1      LEU 485   1.853   0.813 -10.397
  976   HD12  LEU 485          2HD1      LEU 485   1.589  -0.929 -10.487
  977   HD13  LEU 485          3HD1      LEU 485   3.190  -0.298 -10.100
  978   HD21  LEU 485          3HD2      LEU 485   2.339   1.870  -8.161
  979   HD22  LEU 485          1HD2      LEU 485   3.633   0.707  -7.876
  980   HD23  LEU 485          2HD2      LEU 485   2.319   0.869  -6.711
  981    H    ARG 486           H        ARG 486  -2.103  -1.596  -6.857
  982    HA   ARG 486           HA       ARG 486  -4.232   0.221  -7.287
  983    HB2  ARG 486           HB2      ARG 486  -4.137  -2.656  -6.440
  984    HB3  ARG 486           HB1      ARG 486  -5.659  -1.774  -6.522
  985    HG2  ARG 486           HG2      ARG 486  -5.145  -1.243  -8.901
  986    HG3  ARG 486           HG1      ARG 486  -3.736  -2.300  -8.778
  987    HD2  ARG 486           HD2      ARG 486  -6.247  -3.490  -7.854
  988    HD3  ARG 486           HD1      ARG 486  -6.217  -3.082  -9.568
  989    HE   ARG 486           HE       ARG 486  -4.286  -4.516  -9.794
  990   HH11  ARG 486          1HH1      ARG 486  -6.084  -4.836  -6.814
  991   HH12  ARG 486          2HH1      ARG 486  -5.561  -6.465  -6.522
  992   HH21  ARG 486          1HH2      ARG 486  -3.652  -6.674  -9.459
  993   HH22  ARG 486          2HH2      ARG 486  -4.197  -7.522  -8.032
  994    H    CYS 487           H        CYS 487  -2.931  -1.315  -4.349
  995    HA   CYS 487           HA       CYS 487  -4.678  -0.121  -2.525
  996    HB2  CYS 487           HB2      CYS 487  -1.727  -0.661  -2.132
  997    HB3  CYS 487           HB1      CYS 487  -2.938  -0.490  -0.866
  998    HG   CYS 487           HG       CYS 487  -2.847  -3.026  -3.166
  999    H    LEU 488           H        LEU 488  -1.879   1.122  -4.241
 1000    HA   LEU 488           HA       LEU 488  -1.599   3.506  -2.747
 1001    HB2  LEU 488           HB2      LEU 488  -0.710   2.757  -5.520
 1002    HB3  LEU 488           HB1      LEU 488  -0.321   4.287  -4.768
 1003    HG   LEU 488           HG       LEU 488   0.573   1.552  -3.889
 1004   HD11  LEU 488          1HD1      LEU 488   1.800   2.572  -5.764
 1005   HD12  LEU 488          2HD1      LEU 488   2.795   2.432  -4.314
 1006   HD13  LEU 488          3HD1      LEU 488   2.115   3.995  -4.768
 1007   HD21  LEU 488          3HD2      LEU 488   1.763   2.731  -2.080
 1008   HD22  LEU 488          1HD2      LEU 488   0.008   2.832  -1.920
 1009   HD23  LEU 488          2HD2      LEU 488   0.918   4.217  -2.528
 1010    H    VAL 489           H        VAL 489  -3.277   2.798  -5.822
 1011    HA   VAL 489           HA       VAL 489  -4.032   5.469  -6.289
 1012    HB   VAL 489           HB       VAL 489  -5.788   4.592  -7.799
 1013   HG11  VAL 489          1HG1      VAL 489  -3.549   4.977  -8.633
 1014   HG12  VAL 489          2HG1      VAL 489  -4.240   3.548  -9.403
 1015   HG13  VAL 489          3HG1      VAL 489  -3.052   3.368  -8.112
 1016   HG21  VAL 489          3HG2      VAL 489  -4.862   1.921  -6.768
 1017   HG22  VAL 489          1HG2      VAL 489  -5.758   2.124  -8.276
 1018   HG23  VAL 489          2HG2      VAL 489  -6.495   2.587  -6.743
 1019    H    ILE 490           H        ILE 490  -5.777   2.835  -4.613
 1020    HA   ILE 490           HA       ILE 490  -8.061   4.443  -4.109
 1021    HB   ILE 490           HB       ILE 490  -8.721   2.804  -2.426
 1022   HG12  ILE 490          2HG1      ILE 490  -6.061   1.471  -2.972
 1023   HG13  ILE 490          1HG1      ILE 490  -6.463   2.354  -1.503
 1024   HG21  ILE 490          1HG2      ILE 490  -7.618   1.546  -4.929
 1025   HG22  ILE 490          2HG2      ILE 490  -9.176   2.361  -4.774
 1026   HG23  ILE 490          3HG2      ILE 490  -8.871   0.863  -3.892
 1027   HD11  ILE 490          3HD1      ILE 490  -6.662  -0.031  -1.162
 1028   HD12  ILE 490          1HD1      ILE 490  -7.818  -0.141  -2.492
 1029   HD13  ILE 490          2HD1      ILE 490  -8.240   0.751  -1.028
 1030    H    PHE 491           H        PHE 491  -5.018   4.025  -2.407
 1031    HA   PHE 491           HA       PHE 491  -5.672   5.401  -0.042
 1032    HB2  PHE 491           HB2      PHE 491  -3.597   4.153  -0.232
 1033    HB3  PHE 491           HB1      PHE 491  -3.042   5.204  -1.529
 1034    HD1  PHE 491           HD2      PHE 491  -3.995   5.230   2.066
 1035    HD2  PHE 491           HD1      PHE 491  -1.744   7.066  -1.045
 1036    HE1  PHE 491           HE2      PHE 491  -2.887   6.673   3.724
 1037    HE2  PHE 491           HE1      PHE 491  -0.629   8.510   0.607
 1038    HZ   PHE 491           HZ       PHE 491  -1.199   8.314   2.995
 1039    H    ASN 492           H        ASN 492  -4.478   6.550  -3.164
 1040    HA   ASN 492           HA       ASN 492  -4.311   9.286  -2.333
 1041    HB2  ASN 492           HB2      ASN 492  -2.879   8.478  -4.119
 1042    HB3  ASN 492           HB1      ASN 492  -4.278   8.043  -5.092
 1043   HD21  ASN 492          1HD2      ASN 492  -2.373  10.680  -3.825
 1044   HD22  ASN 492          2HD2      ASN 492  -2.962  11.881  -4.919
 1045    H    GLN 493           H        GLN 493  -6.784   7.294  -3.758
 1046    HA   GLN 493           HA       GLN 493  -8.460   9.521  -4.500
 1047    HB2  GLN 493           HB2      GLN 493  -8.990   6.548  -4.398
 1048    HB3  GLN 493           HB1      GLN 493 -10.149   7.735  -4.980
 1049    HG2  GLN 493           HG2      GLN 493  -8.671   8.359  -6.779
 1050    HG3  GLN 493           HG1      GLN 493  -7.412   7.294  -6.156
 1051   HE21  GLN 493          1HE2      GLN 493 -10.447   7.471  -7.851
 1052   HE22  GLN 493          2HE2      GLN 493 -10.457   5.828  -8.387
 1053    H    GLU 494           H        GLU 494  -7.589   8.717  -1.587
 1054    HA   GLU 494           HA       GLU 494  -8.414   9.081   0.505
 1055    HB2  GLU 494           HB2      GLU 494 -10.801  10.231  -0.962
 1056    HB3  GLU 494           HB1      GLU 494 -10.478  10.410   0.757
 1057    HG2  GLU 494           HG2      GLU 494  -8.463  11.663   0.276
 1058    HG3  GLU 494           HG1      GLU 494  -8.714  11.435  -1.455
 1059    H    VAL 495           H        VAL 495  -8.975   6.583  -0.972
 1060    HA   VAL 495           HA       VAL 495 -11.569   5.746   0.037
 1061    HB   VAL 495           HB       VAL 495  -9.464   4.209  -1.498
 1062   HG11  VAL 495          1HG1      VAL 495 -11.216   2.502  -1.790
 1063   HG12  VAL 495          2HG1      VAL 495 -12.254   3.401  -0.679
 1064   HG13  VAL 495          3HG1      VAL 495 -10.740   2.697  -0.104
 1065   HG21  VAL 495          3HG2      VAL 495 -10.517   5.961  -2.822
 1066   HG22  VAL 495          1HG2      VAL 495 -12.115   5.371  -2.364
 1067   HG23  VAL 495          2HG2      VAL 495 -11.061   4.374  -3.366
 1068    H    ILE 496           H        ILE 496  -8.145   4.919   0.534
 1069    HA   ILE 496           HA       ILE 496  -8.928   3.761   3.127
 1070    HB   ILE 496           HB       ILE 496  -6.974   2.301   3.037
 1071   HG12  ILE 496          2HG1      ILE 496  -6.592   3.243   0.188
 1072   HG13  ILE 496          1HG1      ILE 496  -5.628   3.817   1.546
 1073   HG21  ILE 496          1HG2      ILE 496  -8.692   2.026   0.573
 1074   HG22  ILE 496          2HG2      ILE 496  -9.121   1.478   2.194
 1075   HG23  ILE 496          3HG2      ILE 496  -7.762   0.741   1.346
 1076   HD11  ILE 496          3HD1      ILE 496  -4.463   2.092   0.304
 1077   HD12  ILE 496          1HD1      ILE 496  -5.797   0.973   0.580
 1078   HD13  ILE 496          2HD1      ILE 496  -4.831   1.546   1.940
 1079    H    SER 497           H        SER 497  -7.292   3.965   4.825
 1080    HA   SER 497           HA       SER 497  -5.844   6.505   4.564
 1081    HB2  SER 497           HB2      SER 497  -7.489   6.179   6.444
 1082    HB3  SER 497           HB1      SER 497  -6.429   4.925   7.080
 1083    HG   SER 497           HG       SER 497  -6.283   7.324   7.776
 1084    H    ARG 498           H        ARG 498  -3.840   6.452   6.156
 1085    HA   ARG 498           HA       ARG 498  -1.791   5.056   4.918
 1086    HB2  ARG 498           HB2      ARG 498  -1.646   7.064   6.448
 1087    HB3  ARG 498           HB1      ARG 498  -1.786   5.957   7.794
 1088    HG2  ARG 498           HG2      ARG 498   0.281   4.834   7.099
 1089    HG3  ARG 498           HG1      ARG 498   0.414   5.956   5.742
 1090    HD2  ARG 498           HD2      ARG 498   1.806   6.540   7.753
 1091    HD3  ARG 498           HD1      ARG 498   0.739   7.815   7.170
 1092    HE   ARG 498           HE       ARG 498  -0.708   6.511   9.113
 1093   HH11  ARG 498          1HH1      ARG 498   2.416   8.110   8.997
 1094   HH12  ARG 498          2HH1      ARG 498   2.327   8.680  10.636
 1095   HH21  ARG 498          1HH2      ARG 498  -0.830   7.291  11.262
 1096   HH22  ARG 498          2HH2      ARG 498   0.488   8.218  11.917
 1097    H    ALA 499           H        ALA 499  -3.326   4.412   8.020
 1098    HA   ALA 499           HA       ALA 499  -1.926   2.187   8.843
 1099    HB1  ALA 499           HB1      ALA 499  -3.857   1.625  10.218
 1100    HB2  ALA 499           HB2      ALA 499  -4.867   2.709   9.259
 1101    HB3  ALA 499           HB3      ALA 499  -3.553   3.362  10.237
 1102    H    GLU 500           H        GLU 500  -4.981   2.156   6.981
 1103    HA   GLU 500           HA       GLU 500  -5.112  -0.601   6.605
 1104    HB2  GLU 500           HB2      GLU 500  -6.084   1.570   4.743
 1105    HB3  GLU 500           HB1      GLU 500  -6.556  -0.121   4.662
 1106    HG2  GLU 500           HG2      GLU 500  -8.323   0.671   5.816
 1107    HG3  GLU 500           HG1      GLU 500  -7.248   0.350   7.176
 1108    H    LEU 501           H        LEU 501  -3.626   1.878   4.545
 1109    HA   LEU 501           HA       LEU 501  -2.823   0.265   2.427
 1110    HB2  LEU 501           HB2      LEU 501  -2.704   2.693   2.375
 1111    HB3  LEU 501           HB1      LEU 501  -1.469   2.685   3.618
 1112    HG   LEU 501           HG       LEU 501   0.062   1.526   2.046
 1113   HD11  LEU 501          1HD1      LEU 501  -1.601   0.458   0.626
 1114   HD12  LEU 501          2HD1      LEU 501  -0.507   1.463  -0.326
 1115   HD13  LEU 501          3HD1      LEU 501  -2.134   2.036   0.048
 1116   HD21  LEU 501          3HD2      LEU 501   0.500   3.484   0.656
 1117   HD22  LEU 501          1HD2      LEU 501   0.133   3.945   2.318
 1118   HD23  LEU 501          2HD2      LEU 501  -1.090   4.130   1.061
 1119    H    VAL 502           H        VAL 502  -1.117   1.025   5.431
 1120    HA   VAL 502           HA       VAL 502   1.260  -0.378   4.861
 1121    HB   VAL 502           HB       VAL 502   0.036   0.254   7.560
 1122   HG11  VAL 502          1HG1      VAL 502   1.764  -1.441   7.758
 1123   HG12  VAL 502          2HG1      VAL 502   2.326   0.100   8.411
 1124   HG13  VAL 502          3HG1      VAL 502   2.872  -0.438   6.823
 1125   HG21  VAL 502          3HG2      VAL 502   0.361   2.246   6.197
 1126   HG22  VAL 502          1HG2      VAL 502   2.038   1.787   5.904
 1127   HG23  VAL 502          2HG2      VAL 502   1.511   2.207   7.534
 1128    H    GLN 503           H        GLN 503  -1.776  -1.376   6.368
 1129    HA   GLN 503           HA       GLN 503  -0.816  -3.964   7.124
 1130    HB2  GLN 503           HB2      GLN 503  -3.595  -2.807   6.943
 1131    HB3  GLN 503           HB1      GLN 503  -3.272  -4.446   7.487
 1132    HG2  GLN 503           HG2      GLN 503  -2.143  -1.977   8.780
 1133    HG3  GLN 503           HG1      GLN 503  -3.602  -2.807   9.315
 1134   HE21  GLN 503          1HE2      GLN 503  -2.492  -5.460   8.708
 1135   HE22  GLN 503          2HE2      GLN 503  -1.342  -5.788   9.968
 1136    H    LEU 504           H        LEU 504  -2.585  -2.687   4.347
 1137    HA   LEU 504           HA       LEU 504  -3.439  -5.152   3.295
 1138    HB2  LEU 504           HB2      LEU 504  -2.871  -2.523   1.930
 1139    HB3  LEU 504           HB1      LEU 504  -3.611  -3.895   1.130
 1140    HG   LEU 504           HG       LEU 504  -4.799  -2.565   3.564
 1141   HD11  LEU 504          1HD1      LEU 504  -5.467  -2.162   0.655
 1142   HD12  LEU 504          2HD1      LEU 504  -4.686  -0.982   1.709
 1143   HD13  LEU 504          3HD1      LEU 504  -6.347  -1.490   2.027
 1144   HD21  LEU 504          3HD2      LEU 504  -6.803  -3.759   2.928
 1145   HD22  LEU 504          1HD2      LEU 504  -5.468  -4.897   3.131
 1146   HD23  LEU 504          2HD2      LEU 504  -5.982  -4.424   1.509
 1147    H    VAL 505           H        VAL 505  -0.426  -3.376   2.880
 1148    HA   VAL 505           HA       VAL 505   0.483  -5.261   0.864
 1149    HB   VAL 505           HB       VAL 505   0.951  -2.779   0.768
 1150   HG11  VAL 505          1HG1      VAL 505   2.939  -3.455   2.928
 1151   HG12  VAL 505          2HG1      VAL 505   1.544  -2.385   3.074
 1152   HG13  VAL 505          3HG1      VAL 505   2.889  -1.943   2.022
 1153   HG21  VAL 505          3HG2      VAL 505   3.324  -4.632   0.632
 1154   HG22  VAL 505          1HG2      VAL 505   3.196  -3.056  -0.147
 1155   HG23  VAL 505          2HG2      VAL 505   2.129  -4.371  -0.641
 1156    H    SER 506           H        SER 506   0.221  -5.470   4.079
 1157    HA   SER 506           HA       SER 506   2.741  -6.196   5.038
 1158    HB2  SER 506           HB2      SER 506   0.806  -5.738   6.499
 1159    HB3  SER 506           HB1      SER 506   0.063  -7.247   5.972
 1160    HG   SER 506           HG       SER 506   1.125  -7.663   7.874
 1161    HA   PRO 507           HA       PRO 507   1.566 -10.861   3.890
 1162    HB2  PRO 507           HB2      PRO 507   0.003 -10.230   1.436
 1163    HB3  PRO 507           HB1      PRO 507  -0.199 -11.549   2.596
 1164    HG2  PRO 507           HG2      PRO 507  -1.876  -9.482   2.593
 1165    HG3  PRO 507           HG1      PRO 507  -1.344 -10.221   4.114
 1166    HD2  PRO 507           HD2      PRO 507  -0.473  -7.662   2.843
 1167    HD3  PRO 507           HD1      PRO 507  -0.709  -8.046   4.560
 1168    H    PHE 508           H        PHE 508   2.148  -8.160   1.779
 1169    HA   PHE 508           HA       PHE 508   3.674  -9.743  -0.114
 1170    HB2  PHE 508           HB2      PHE 508   3.117  -6.771   0.006
 1171    HB3  PHE 508           HB1      PHE 508   3.969  -7.583  -1.303
 1172    HD1  PHE 508           HD2      PHE 508   0.715  -7.089   0.320
 1173    HD2  PHE 508           HD1      PHE 508   2.796  -8.907  -2.918
 1174    HE1  PHE 508           HE2      PHE 508  -1.430  -7.553  -0.794
 1175    HE2  PHE 508           HE1      PHE 508   0.657  -9.371  -4.034
 1176    HZ   PHE 508           HZ       PHE 508  -1.459  -8.696  -2.975
 1177    H    LEU 509           H        LEU 509   4.364  -6.814   1.822
 1178    HA   LEU 509           HA       LEU 509   7.206  -7.278   1.414
 1179    HB2  LEU 509           HB2      LEU 509   5.811  -4.983   2.781
 1180    HB3  LEU 509           HB1      LEU 509   7.509  -5.049   2.343
 1181    HG   LEU 509           HG       LEU 509   5.162  -4.949   0.447
 1182   HD11  LEU 509          1HD1      LEU 509   5.654  -2.819   1.490
 1183   HD12  LEU 509          2HD1      LEU 509   6.124  -2.794  -0.210
 1184   HD13  LEU 509          3HD1      LEU 509   7.354  -2.967   1.043
 1185   HD21  LEU 509          3HD2      LEU 509   6.849  -4.837  -1.338
 1186   HD22  LEU 509          1HD2      LEU 509   6.882  -6.379  -0.484
 1187   HD23  LEU 509          2HD2      LEU 509   8.111  -5.159  -0.150
 1188    H    GLY 510           H        GLY 510   5.083  -8.417   3.573
 1189    HA2  GLY 510           HA2      GLY 510   6.250  -7.921   6.086
 1190    HA3  GLY 510           HA1      GLY 510   5.252  -9.309   5.681
 1191    H    LYS 511           H        LYS 511   7.134 -10.110   3.530
 1192    HA   LYS 511           HA       LYS 511   8.968 -11.576   5.230
 1193    HB2  LYS 511           HB2      LYS 511   8.346 -11.762   2.284
 1194    HB3  LYS 511           HB1      LYS 511   9.593 -12.725   3.059
 1195    HG2  LYS 511           HG2      LYS 511   7.898 -14.210   3.167
 1196    HG3  LYS 511           HG1      LYS 511   7.572 -13.339   4.661
 1197    HD2  LYS 511           HD2      LYS 511   5.497 -13.575   3.521
 1198    HD3  LYS 511           HD1      LYS 511   5.991 -11.888   3.356
 1199    HE2  LYS 511           HE2      LYS 511   6.614 -12.174   1.116
 1200    HE3  LYS 511           HE1      LYS 511   6.629 -13.931   1.252
 1201    HZ1  LYS 511           HZ1      LYS 511   4.270 -13.978   1.373
 1202    HZ2  LYS 511           HZ2      LYS 511   4.675 -12.997   0.056
 1203    HZ3  LYS 511           HZ3      LYS 511   4.165 -12.291   1.505
 1204    H    PHE 512           H        PHE 512   9.043  -8.613   3.937
 1205    HA   PHE 512           HA       PHE 512  11.962  -8.698   3.536
 1206    HB2  PHE 512           HB2      PHE 512  10.024  -6.854   2.113
 1207    HB3  PHE 512           HB1      PHE 512  11.767  -6.935   1.868
 1208    HD1  PHE 512           HD2      PHE 512   8.556  -8.581   1.237
 1209    HD2  PHE 512           HD1      PHE 512  12.761  -8.716   0.595
 1210    HE1  PHE 512           HE2      PHE 512   8.227 -10.266  -0.524
 1211    HE2  PHE 512           HE1      PHE 512  12.442 -10.402  -1.165
 1212    HZ   PHE 512           HZ       PHE 512  10.172 -11.179  -1.730
 1213    HA   PRO 513           HA       PRO 513  10.917  -6.330   7.335
 1214    HB2  PRO 513           HB2      PRO 513  13.867  -6.622   7.616
 1215    HB3  PRO 513           HB1      PRO 513  12.588  -6.904   8.802
 1216    HG2  PRO 513           HG2      PRO 513  13.805  -8.951   7.636
 1217    HG3  PRO 513           HG1      PRO 513  12.054  -8.988   7.920
 1218    HD2  PRO 513           HD2      PRO 513  13.555  -8.480   5.383
 1219    HD3  PRO 513           HD1      PRO 513  12.053  -9.392   5.641
 1220    H    GLU 514           H        GLU 514  13.995  -5.654   5.608
 1221    HA   GLU 514           HA       GLU 514  14.150  -2.981   6.476
 1222    HB2  GLU 514           HB2      GLU 514  15.868  -2.692   4.746
 1223    HB3  GLU 514           HB1      GLU 514  16.109  -4.180   5.650
 1224    HG2  GLU 514           HG2      GLU 514  15.316  -5.504   3.855
 1225    HG3  GLU 514           HG1      GLU 514  14.715  -4.090   2.990
 1226    H    LEU 515           H        LEU 515  12.538  -4.449   3.759
 1227    HA   LEU 515           HA       LEU 515  12.172  -2.006   2.304
 1228    HB2  LEU 515           HB2      LEU 515  12.281  -4.348   1.343
 1229    HB3  LEU 515           HB1      LEU 515  10.669  -4.600   1.982
 1230    HG   LEU 515           HG       LEU 515   9.819  -2.793   0.554
 1231   HD11  LEU 515          1HD1      LEU 515  11.264  -1.860  -1.200
 1232   HD12  LEU 515          2HD1      LEU 515  12.649  -2.684  -0.480
 1233   HD13  LEU 515          3HD1      LEU 515  11.810  -1.418   0.418
 1234   HD21  LEU 515          3HD2      LEU 515  11.413  -4.869  -0.943
 1235   HD22  LEU 515          1HD2      LEU 515  10.037  -3.963  -1.570
 1236   HD23  LEU 515          2HD2      LEU 515   9.811  -5.106  -0.245
 1237    H    PHE 516           H        PHE 516  10.199  -4.051   4.405
 1238    HA   PHE 516           HA       PHE 516   7.844  -2.471   4.178
 1239    HB2  PHE 516           HB2      PHE 516   7.989  -4.904   4.908
 1240    HB3  PHE 516           HB1      PHE 516   8.547  -4.312   6.468
 1241    HD1  PHE 516           HD2      PHE 516   5.759  -3.784   4.050
 1242    HD2  PHE 516           HD1      PHE 516   6.989  -3.978   8.117
 1243    HE1  PHE 516           HE2      PHE 516   3.422  -3.503   4.764
 1244    HE2  PHE 516           HE1      PHE 516   4.652  -3.704   8.838
 1245    HZ   PHE 516           HZ       PHE 516   2.866  -3.465   7.161
 1246    H    ASN 517           H        ASN 517  10.606  -2.503   6.348
 1247    HA   ASN 517           HA       ASN 517   9.569  -0.566   8.160
 1248    HB2  ASN 517           HB2      ASN 517  12.364  -1.564   7.626
 1249    HB3  ASN 517           HB1      ASN 517  12.030  -0.301   8.804
 1250   HD21  ASN 517          1HD2      ASN 517  13.135  -2.952   9.217
 1251   HD22  ASN 517          2HD2      ASN 517  12.076  -3.748  10.330
 1252    H    TRP 518           H        TRP 518  11.377  -0.396   5.153
 1253    HA   TRP 518           HA       TRP 518  11.990   2.352   5.181
 1254    HB2  TRP 518           HB2      TRP 518  12.739   0.592   3.477
 1255    HB3  TRP 518           HB1      TRP 518  11.153   0.769   2.737
 1256    HD1  TRP 518           HD1      TRP 518  14.575   2.158   2.635
 1257    HE1  TRP 518           HE1      TRP 518  14.662   4.245   1.134
 1258    HE3  TRP 518           HE3      TRP 518   9.548   3.023   2.108
 1259    HZ2  TRP 518           HZ2      TRP 518  12.861   6.024  -0.090
 1260    HZ3  TRP 518           HZ3      TRP 518   8.826   4.945   0.755
 1261    HH2  TRP 518           HH2      TRP 518  10.449   6.412  -0.321
 1262    H    PHE 519           H        PHE 519   9.188   0.558   3.983
 1263    HA   PHE 519           HA       PHE 519   7.585   2.635   3.112
 1264    HB2  PHE 519           HB2      PHE 519   7.222   0.145   2.866
 1265    HB3  PHE 519           HB1      PHE 519   6.638   0.133   4.524
 1266    HD1  PHE 519           HD2      PHE 519   6.043   2.058   1.386
 1267    HD2  PHE 519           HD1      PHE 519   4.376   0.139   4.797
 1268    HE1  PHE 519           HE2      PHE 519   3.787   2.582   0.576
 1269    HE2  PHE 519           HE1      PHE 519   2.117   0.661   3.992
 1270    HZ   PHE 519           HZ       PHE 519   1.816   1.885   1.874
 1271    H    LYS 520           H        LYS 520   7.899   1.241   6.360
 1272    HA   LYS 520           HA       LYS 520   5.977   2.840   7.645
 1273    HB2  LYS 520           HB2      LYS 520   8.479   1.530   8.713
 1274    HB3  LYS 520           HB1      LYS 520   7.279   2.315   9.730
 1275    HG2  LYS 520           HG2      LYS 520   5.589   0.733   8.978
 1276    HG3  LYS 520           HG1      LYS 520   6.778  -0.045   7.931
 1277    HD2  LYS 520           HD2      LYS 520   8.088  -0.726   9.825
 1278    HD3  LYS 520           HD1      LYS 520   7.062   0.201  10.923
 1279    HE2  LYS 520           HE2      LYS 520   5.165  -1.235  10.358
 1280    HE3  LYS 520           HE1      LYS 520   6.190  -2.159   9.260
 1281    HZ1  LYS 520           HZ1      LYS 520   6.735  -1.888  12.166
 1282    HZ2  LYS 520           HZ2      LYS 520   7.470  -2.957  11.070
 1283    HZ3  LYS 520           HZ3      LYS 520   5.845  -3.167  11.497
 1284    H    ASN 521           H        ASN 521   9.466   3.300   7.202
 1285    HA   ASN 521           HA       ASN 521   9.740   5.625   8.748
 1286    HB2  ASN 521           HB2      ASN 521  11.587   4.152   7.844
 1287    HB3  ASN 521           HB1      ASN 521  11.352   4.929   6.284
 1288   HD21  ASN 521          1HD2      ASN 521  13.692   4.865   8.001
 1289   HD22  ASN 521          2HD2      ASN 521  14.097   6.517   8.326
 1290    H    PHE 522           H        PHE 522   8.938   5.181   5.335
 1291    HA   PHE 522           HA       PHE 522   9.129   7.920   4.610
 1292    HB2  PHE 522           HB2      PHE 522   9.202   5.970   3.031
 1293    HB3  PHE 522           HB1      PHE 522   7.474   5.765   3.279
 1294    HD1  PHE 522           HD1      PHE 522   9.294   8.980   2.926
 1295    HD2  PHE 522           HD2      PHE 522   6.672   6.159   1.109
 1296    HE1  PHE 522           HE1      PHE 522   8.875  10.556   1.087
 1297    HE2  PHE 522           HE2      PHE 522   6.247   7.738  -0.729
 1298    HZ   PHE 522           HZ       PHE 522   7.348   9.938  -0.743
 1299    H    LEU 523           H        LEU 523   6.490   5.875   5.693
 1300    HA   LEU 523           HA       LEU 523   4.493   7.931   5.338
 1301    HB2  LEU 523           HB2      LEU 523   4.508   5.101   6.297
 1302    HB3  LEU 523           HB1      LEU 523   3.140   6.122   6.690
 1303    HG   LEU 523           HG       LEU 523   2.641   6.443   4.338
 1304   HD11  LEU 523          1HD1      LEU 523   4.987   6.390   3.531
 1305   HD12  LEU 523          2HD1      LEU 523   3.885   5.389   2.589
 1306   HD13  LEU 523          3HD1      LEU 523   4.976   4.640   3.751
 1307   HD21  LEU 523          3HD2      LEU 523   2.044   4.169   3.749
 1308   HD22  LEU 523          1HD2      LEU 523   1.754   4.457   5.464
 1309   HD23  LEU 523          2HD2      LEU 523   3.174   3.545   4.950
 1310    H    GLY 524           H        GLY 524   6.823   7.455   7.636
 1311    HA2  GLY 524           HA2      GLY 524   7.112   8.189   9.801
 1312    HA3  GLY 524           HA1      GLY 524   5.695   9.204   9.550
 1313    H    TYR 525           H        TYR 525   5.900   5.712   9.340
 1314    HA   TYR 525           HA       TYR 525   3.612   5.497  11.122
 1315    HB2  TYR 525           HB2      TYR 525   3.627   4.286   8.962
 1316    HB3  TYR 525           HB1      TYR 525   5.037   3.377   9.493
 1317    HD1  TYR 525           HD2      TYR 525   4.826   1.625  11.174
 1318    HD2  TYR 525           HD1      TYR 525   1.423   3.797   9.835
 1319    HE1  TYR 525           HE2      TYR 525   3.359  -0.074  12.166
 1320    HE2  TYR 525           HE1      TYR 525  -0.057   2.100  10.827
 1321    HH   TYR 525           HH       TYR 525   0.906  -0.062  13.081
 1322    H    LYS 526           H        LYS 526   4.004   5.358  13.212
 1323    HA   LYS 526           HA       LYS 526   6.232   3.668  14.113
 1324    HB2  LYS 526           HB2      LYS 526   6.416   5.200  16.091
 1325    HB3  LYS 526           HB1      LYS 526   6.889   5.923  14.561
 1326    HG2  LYS 526           HG2      LYS 526   4.700   7.024  14.423
 1327    HG3  LYS 526           HG1      LYS 526   4.268   6.329  15.985
 1328    HD2  LYS 526           HD2      LYS 526   6.135   7.528  17.030
 1329    HD3  LYS 526           HD1      LYS 526   6.560   8.224  15.464
 1330    HE2  LYS 526           HE2      LYS 526   4.349   9.299  15.364
 1331    HE3  LYS 526           HE1      LYS 526   3.964   8.628  16.947
 1332    HZ1  LYS 526           HZ1      LYS 526   5.859   9.884  17.855
 1333    HZ2  LYS 526           HZ2      LYS 526   4.670  10.890  17.183
 1334    HZ3  LYS 526           HZ3      LYS 526   6.107  10.594  16.334
 1335    H    GLU 527           H        GLU 527   5.622   2.013  15.323
 1336    HA   GLU 527           HA       GLU 527   2.907   1.818  16.296
 1337    HB2  GLU 527           HB2      GLU 527   5.280  -0.036  16.347
 1338    HB3  GLU 527           HB1      GLU 527   3.795  -0.413  17.208
 1339    HG2  GLU 527           HG2      GLU 527   3.859   0.192  14.268
 1340    HG3  GLU 527           HG1      GLU 527   4.065  -1.433  14.917
 1341    H    SER 528           H        SER 528   3.275   3.768  17.648
 1342    HA   SER 528           HA       SER 528   3.422   4.758  19.675
 1343    HB2  SER 528           HB2      SER 528   2.181   2.731  20.427
 1344    HB3  SER 528           HB1      SER 528   3.722   1.946  20.770
 1345    HG   SER 528           HG       SER 528   3.675   2.909  22.620
  Start of MODEL   15
    1    H1   SER 127           HT1      SER 127  -4.578 -52.332  -4.577
    2    H2   SER 127           HT2      SER 127  -4.258 -53.998  -4.609
    3    H3   SER 127           HT3      SER 127  -4.046 -53.069  -6.011
    4    HA   SER 127           HA       SER 127  -2.477 -52.880  -3.512
    5    HB2  SER 127           HB2      SER 127  -1.584 -53.677  -6.293
    6    HB3  SER 127           HB1      SER 127  -0.655 -53.785  -4.798
    7    HG   SER 127           HG       SER 127  -1.405 -55.764  -4.803
    8    H    ASN 128           H        ASN 128  -2.457 -50.702  -3.179
    9    HA   ASN 128           HA       ASN 128  -2.263 -48.822  -5.331
   10    HB2  ASN 128           HB2      ASN 128  -2.122 -47.118  -3.613
   11    HB3  ASN 128           HB1      ASN 128  -3.374 -48.278  -3.185
   12   HD21  ASN 128          1HD2      ASN 128  -3.054 -49.643  -1.418
   13   HD22  ASN 128          2HD2      ASN 128  -1.813 -49.349  -0.246
   14    H    ALA 129           H        ALA 129  -0.500 -47.154  -5.395
   15    HA   ALA 129           HA       ALA 129   1.965 -48.548  -5.826
   16    HB1  ALA 129           HB1      ALA 129   1.325 -45.609  -6.061
   17    HB2  ALA 129           HB2      ALA 129   1.229 -46.804  -7.356
   18    HB3  ALA 129           HB3      ALA 129   2.793 -46.392  -6.649
   19    H    GLY 130           H        GLY 130   0.718 -46.351  -3.406
   20    HA2  GLY 130           HA2      GLY 130   1.518 -46.251  -1.196
   21    HA3  GLY 130           HA1      GLY 130   3.042 -46.947  -1.733
   22    H    SER 131           H        SER 131   3.905 -45.375  -3.663
   23    HA   SER 131           HA       SER 131   5.053 -43.474  -4.101
   24    HB2  SER 131           HB2      SER 131   2.843 -42.105  -2.542
   25    HB3  SER 131           HB1      SER 131   3.971 -41.327  -3.651
   26    HG   SER 131           HG       SER 131   1.707 -42.106  -4.365
   27    H    ASP 132           H        ASP 132   5.738 -41.245  -2.705
   28    HA   ASP 132           HA       ASP 132   6.450 -42.064   0.006
   29    HB2  ASP 132           HB2      ASP 132   8.314 -42.778  -1.540
   30    HB3  ASP 132           HB1      ASP 132   8.557 -41.077  -1.927
   31    H    ASP 133           H        ASP 133   7.221 -39.522  -2.371
   32    HA   ASP 133           HA       ASP 133   6.898 -37.423  -0.434
   33    HB2  ASP 133           HB2      ASP 133   7.213 -37.362  -3.445
   34    HB3  ASP 133           HB1      ASP 133   7.084 -35.915  -2.453
   35    H    ASP 134           H        ASP 134   5.126 -38.441  -3.329
   36    HA   ASP 134           HA       ASP 134   2.968 -38.288  -3.975
   37    HB2  ASP 134           HB2      ASP 134   2.379 -39.275  -1.833
   38    HB3  ASP 134           HB1      ASP 134   2.438 -37.696  -1.056
   39    H    GLY 135           H        GLY 135   3.076 -35.735  -1.477
   40    HA2  GLY 135           HA2      GLY 135   1.964 -33.866  -3.428
   41    HA3  GLY 135           HA1      GLY 135   2.135 -33.588  -1.699
   42    H    GLY 136           H        GLY 136   4.602 -33.760  -1.041
   43    HA2  GLY 136           HA2      GLY 136   6.872 -33.359  -1.956
   44    HA3  GLY 136           HA1      GLY 136   6.132 -32.146  -2.989
   45    H    ASP 137           H        ASP 137   8.300 -31.760  -1.167
   46    HA   ASP 137           HA       ASP 137   7.064 -29.969   0.821
   47    HB2  ASP 137           HB2      ASP 137   9.208 -30.100   2.050
   48    HB3  ASP 137           HB1      ASP 137   8.467 -31.684   1.854
   49    H    SER 138           H        SER 138   8.014 -27.876   1.126
   50    HA   SER 138           HA       SER 138   9.569 -26.948  -1.202
   51    HB2  SER 138           HB2      SER 138   7.421 -25.419   0.292
   52    HB3  SER 138           HB1      SER 138   8.367 -24.810  -1.068
   53    HG   SER 138           HG       SER 138   7.456 -26.883  -2.101
   54    HA   PRO 139           HA       PRO 139  12.160 -25.854   2.365
   55    HB2  PRO 139           HB2      PRO 139  14.408 -26.046   0.572
   56    HB3  PRO 139           HB1      PRO 139  13.981 -27.112   1.911
   57    HG2  PRO 139           HG2      PRO 139  13.900 -27.852  -0.733
   58    HG3  PRO 139           HG1      PRO 139  12.941 -28.613   0.547
   59    HD2  PRO 139           HD2      PRO 139  12.122 -26.569  -1.475
   60    HD3  PRO 139           HD1      PRO 139  11.216 -27.959  -0.839
   61    H    VAL 140           H        VAL 140  11.837 -24.502  -0.792
   62    HA   VAL 140           HA       VAL 140  13.067 -21.991   0.137
   63    HB   VAL 140           HB       VAL 140  13.042 -23.075  -2.689
   64   HG11  VAL 140          1HG1      VAL 140  14.230 -20.524  -1.607
   65   HG12  VAL 140          2HG1      VAL 140  12.813 -20.647  -2.650
   66   HG13  VAL 140          3HG1      VAL 140  14.399 -21.123  -3.258
   67   HG21  VAL 140          3HG2      VAL 140  14.664 -24.225  -1.283
   68   HG22  VAL 140          1HG2      VAL 140  15.335 -22.677  -0.769
   69   HG23  VAL 140          2HG2      VAL 140  15.479 -23.184  -2.451
   70    H    GLN 141           H        GLN 141  11.614 -20.402   0.344
   71    HA   GLN 141           HA       GLN 141   9.088 -20.555  -1.091
   72    HB2  GLN 141           HB2      GLN 141  10.120 -18.554   0.923
   73    HB3  GLN 141           HB1      GLN 141   8.537 -18.466   0.168
   74    HG2  GLN 141           HG2      GLN 141   7.986 -20.659   1.154
   75    HG3  GLN 141           HG1      GLN 141   9.545 -20.645   1.979
   76   HE21  GLN 141          1HE2      GLN 141   6.830 -20.690   3.075
   77   HE22  GLN 141          2HE2      GLN 141   6.716 -19.295   4.099
   78    H    ASP 142           H        ASP 142   9.768 -20.248  -3.221
   79    HA   ASP 142           HA       ASP 142  11.084 -17.759  -3.924
   80    HB2  ASP 142           HB2      ASP 142  11.039 -18.576  -6.199
   81    HB3  ASP 142           HB1      ASP 142  11.578 -19.877  -5.144
   82    H    ILE 143           H        ILE 143   7.933 -19.137  -3.777
   83    HA   ILE 143           HA       ILE 143   5.869 -18.202  -3.763
   84    HB   ILE 143           HB       ILE 143   7.147 -15.524  -4.325
   85   HG12  ILE 143          2HG1      ILE 143   6.470 -16.740  -1.635
   86   HG13  ILE 143          1HG1      ILE 143   8.102 -16.599  -2.285
   87   HG21  ILE 143          1HG2      ILE 143   4.746 -15.582  -4.698
   88   HG22  ILE 143          2HG2      ILE 143   5.120 -14.632  -3.259
   89   HG23  ILE 143          3HG2      ILE 143   4.499 -16.275  -3.096
   90   HD11  ILE 143          3HD1      ILE 143   7.879 -14.167  -2.298
   91   HD12  ILE 143          1HD1      ILE 143   7.640 -14.838  -0.683
   92   HD13  ILE 143          2HD1      ILE 143   6.252 -14.317  -1.638
   93    H    ASP 144           H        ASP 144   4.283 -17.962  -5.239
   94    HA   ASP 144           HA       ASP 144   5.119 -17.697  -8.048
   95    HB2  ASP 144           HB2      ASP 144   3.890 -19.758  -7.539
   96    HB3  ASP 144           HB1      ASP 144   2.569 -18.821  -6.850
   97    H    THR 145           H        THR 145   2.450 -16.804  -5.895
   98    HA   THR 145           HA       THR 145   2.538 -14.056  -6.708
   99    HB   THR 145           HB       THR 145   0.067 -15.669  -7.414
  100    HG1  THR 145           HG1      THR 145   2.270 -15.181  -8.821
  101   HG21  THR 145          3HG2      THR 145   0.655 -12.719  -7.697
  102   HG22  THR 145          1HG2      THR 145  -0.521 -13.453  -6.604
  103   HG23  THR 145          2HG2      THR 145  -0.763 -13.540  -8.349
  104    HA   PRO 146           HA       PRO 146   0.907 -14.353  -2.484
  105    HB2  PRO 146           HB2      PRO 146   1.708 -11.863  -1.743
  106    HB3  PRO 146           HB1      PRO 146   2.772 -13.271  -1.688
  107    HG2  PRO 146           HG2      PRO 146   2.632 -11.074  -3.687
  108    HG3  PRO 146           HG1      PRO 146   4.044 -11.949  -3.074
  109    HD2  PRO 146           HD2      PRO 146   2.853 -12.426  -5.511
  110    HD3  PRO 146           HD1      PRO 146   3.824 -13.615  -4.622
  111    H    GLU 147           H        GLU 147  -0.829 -13.188  -1.447
  112    HA   GLU 147           HA       GLU 147  -2.355 -11.508  -3.315
  113    HB2  GLU 147           HB2      GLU 147  -4.401 -12.742  -2.637
  114    HB3  GLU 147           HB1      GLU 147  -3.245 -13.738  -3.511
  115    HG2  GLU 147           HG2      GLU 147  -2.486 -14.736  -1.453
  116    HG3  GLU 147           HG1      GLU 147  -3.543 -13.678  -0.519
  117    H    VAL 148           H        VAL 148  -4.014 -10.225  -2.334
  118    HA   VAL 148           HA       VAL 148  -3.274  -9.369   0.359
  119    HB   VAL 148           HB       VAL 148  -3.271  -7.587  -1.256
  120   HG11  VAL 148          1HG1      VAL 148  -4.725  -8.575  -2.932
  121   HG12  VAL 148          2HG1      VAL 148  -5.271  -6.949  -2.517
  122   HG13  VAL 148          3HG1      VAL 148  -6.119  -8.356  -1.875
  123   HG21  VAL 148          3HG2      VAL 148  -5.754  -7.374   0.446
  124   HG22  VAL 148          1HG2      VAL 148  -4.866  -6.029  -0.273
  125   HG23  VAL 148          2HG2      VAL 148  -4.107  -7.019   0.974
  126    H    ASP 149           H        ASP 149  -4.488  -9.890   2.045
  127    HA   ASP 149           HA       ASP 149  -7.176 -10.923   1.577
  128    HB2  ASP 149           HB2      ASP 149  -7.089 -11.685   3.913
  129    HB3  ASP 149           HB1      ASP 149  -5.710 -12.277   2.996
  130    H    LEU 150           H        LEU 150  -8.515  -9.259   1.279
  131    HA   LEU 150           HA       LEU 150  -8.162  -6.709   2.489
  132    HB2  LEU 150           HB2      LEU 150 -10.391  -7.891   0.850
  133    HB3  LEU 150           HB1      LEU 150 -10.381  -6.226   1.399
  134    HG   LEU 150           HG       LEU 150  -8.269  -7.447  -0.383
  135   HD11  LEU 150          1HD1      LEU 150  -9.272  -6.148  -2.161
  136   HD12  LEU 150          2HD1      LEU 150 -10.535  -5.596  -1.063
  137   HD13  LEU 150          3HD1      LEU 150 -10.435  -7.301  -1.505
  138   HD21  LEU 150          3HD2      LEU 150  -8.819  -4.590   0.386
  139   HD22  LEU 150          1HD2      LEU 150  -7.555  -5.156  -0.707
  140   HD23  LEU 150          2HD2      LEU 150  -7.499  -5.585   1.003
  141    H    TYR 151           H        TYR 151  -8.681  -8.978   4.353
  142    HA   TYR 151           HA       TYR 151 -11.265  -8.206   5.484
  143    HB2  TYR 151           HB2      TYR 151 -10.295 -10.669   5.143
  144    HB3  TYR 151           HB1      TYR 151  -9.578 -10.336   6.716
  145    HD1  TYR 151           HD2      TYR 151 -12.773 -10.618   4.885
  146    HD2  TYR 151           HD1      TYR 151 -10.909 -10.359   8.699
  147    HE1  TYR 151           HE2      TYR 151 -14.908 -11.199   5.959
  148    HE2  TYR 151           HE1      TYR 151 -13.036 -10.939   9.784
  149    HH   TYR 151           HH       TYR 151 -15.720 -12.154   8.068
  150    H    GLN 152           H        GLN 152  -8.066  -7.325   5.699
  151    HA   GLN 152           HA       GLN 152  -8.050  -6.814   8.555
  152    HB2  GLN 152           HB2      GLN 152  -5.840  -6.051   8.335
  153    HB3  GLN 152           HB1      GLN 152  -5.954  -7.346   7.154
  154    HG2  GLN 152           HG2      GLN 152  -6.344  -4.468   6.407
  155    HG3  GLN 152           HG1      GLN 152  -4.753  -5.225   6.454
  156   HE21  GLN 152          1HE2      GLN 152  -4.188  -6.689   4.891
  157   HE22  GLN 152          2HE2      GLN 152  -5.137  -6.965   3.474
  158    H    LEU 153           H        LEU 153  -8.899  -5.198   5.627
  159    HA   LEU 153           HA       LEU 153  -8.829  -2.532   6.507
  160    HB2  LEU 153           HB2      LEU 153 -10.720  -3.839   4.546
  161    HB3  LEU 153           HB1      LEU 153 -10.522  -2.110   4.749
  162    HG   LEU 153           HG       LEU 153  -8.448  -4.042   3.713
  163   HD11  LEU 153          1HD1      LEU 153  -9.943  -1.792   2.375
  164   HD12  LEU 153          2HD1      LEU 153 -10.203  -3.518   2.108
  165   HD13  LEU 153          3HD1      LEU 153  -8.673  -2.772   1.643
  166   HD21  LEU 153          3HD2      LEU 153  -7.307  -2.373   4.982
  167   HD22  LEU 153          1HD2      LEU 153  -8.278  -1.089   4.260
  168   HD23  LEU 153          2HD2      LEU 153  -7.128  -1.983   3.271
  169    H    GLN 154           H        GLN 154 -10.163  -1.341   7.717
  170    HA   GLN 154           HA       GLN 154 -12.159  -2.681   9.280
  171    HB2  GLN 154           HB2      GLN 154 -12.603  -0.170   9.970
  172    HB3  GLN 154           HB1      GLN 154 -11.211  -1.048  10.571
  173    HG2  GLN 154           HG2      GLN 154  -9.811  -0.008   8.888
  174    HG3  GLN 154           HG1      GLN 154 -11.210   0.835   8.226
  175   HE21  GLN 154          1HE2      GLN 154  -8.638   1.712   9.478
  176   HE22  GLN 154          2HE2      GLN 154  -9.112   2.842  10.709
  177    H    VAL 155           H        VAL 155 -14.380  -1.779   9.505
  178    HA   VAL 155           HA       VAL 155 -15.799  -2.103   7.131
  179    HB   VAL 155           HB       VAL 155 -16.803  -0.599   9.554
  180   HG11  VAL 155          1HG1      VAL 155 -19.001  -1.421   8.857
  181   HG12  VAL 155          2HG1      VAL 155 -18.267  -2.183   7.444
  182   HG13  VAL 155          3HG1      VAL 155 -18.254  -0.425   7.606
  183   HG21  VAL 155          3HG2      VAL 155 -16.700  -3.560   9.030
  184   HG22  VAL 155          1HG2      VAL 155 -17.670  -2.808  10.296
  185   HG23  VAL 155          2HG2      VAL 155 -15.915  -2.673  10.336
  186    H    ASN 156           H        ASN 156 -14.624   0.778   8.718
  187    HA   ASN 156           HA       ASN 156 -16.017   2.711   7.266
  188    HB2  ASN 156           HB2      ASN 156 -13.282   2.824   8.554
  189    HB3  ASN 156           HB1      ASN 156 -14.119   4.232   7.909
  190   HD21  ASN 156          1HD2      ASN 156 -13.253   3.451  10.656
  191   HD22  ASN 156          2HD2      ASN 156 -14.676   3.605  11.629
  192    H    THR 157           H        THR 157 -12.904   1.153   6.658
  193    HA   THR 157           HA       THR 157 -12.243   2.672   4.357
  194    HB   THR 157           HB       THR 157 -11.237  -0.095   5.020
  195    HG1  THR 157           HG1      THR 157  -9.858   0.835   6.461
  196   HG21  THR 157          3HG2      THR 157  -9.196   0.686   3.933
  197   HG22  THR 157          1HG2      THR 157  -9.932   2.265   3.656
  198   HG23  THR 157          2HG2      THR 157 -10.572   0.838   2.840
  199    H    LEU 158           H        LEU 158 -13.717  -0.506   4.854
  200    HA   LEU 158           HA       LEU 158 -13.878  -1.280   2.162
  201    HB2  LEU 158           HB2      LEU 158 -15.714  -1.977   4.459
  202    HB3  LEU 158           HB1      LEU 158 -15.649  -2.821   2.925
  203    HG   LEU 158           HG       LEU 158 -13.333  -2.638   4.851
  204   HD11  LEU 158          1HD1      LEU 158 -15.259  -4.905   4.373
  205   HD12  LEU 158          2HD1      LEU 158 -15.166  -3.914   5.828
  206   HD13  LEU 158          3HD1      LEU 158 -13.820  -4.964   5.390
  207   HD21  LEU 158          3HD2      LEU 158 -12.690  -2.955   2.513
  208   HD22  LEU 158          1HD2      LEU 158 -13.766  -4.349   2.408
  209   HD23  LEU 158          2HD2      LEU 158 -12.364  -4.395   3.478
  210    H    ARG 159           H        ARG 159 -16.157   0.475   4.232
  211    HA   ARG 159           HA       ARG 159 -18.161   0.840   2.267
  212    HB2  ARG 159           HB2      ARG 159 -17.460   2.368   4.765
  213    HB3  ARG 159           HB1      ARG 159 -18.826   2.797   3.750
  214    HG2  ARG 159           HG2      ARG 159 -19.792   0.576   4.149
  215    HG3  ARG 159           HG1      ARG 159 -18.428   0.196   5.206
  216    HD2  ARG 159           HD2      ARG 159 -19.025   2.057   6.661
  217    HD3  ARG 159           HD1      ARG 159 -20.358   2.480   5.593
  218    HE   ARG 159           HE       ARG 159 -20.300  -0.144   6.914
  219   HH11  ARG 159          1HH1      ARG 159 -21.812   2.952   6.324
  220   HH12  ARG 159          2HH1      ARG 159 -23.257   2.570   7.219
  221   HH21  ARG 159          1HH2      ARG 159 -22.207  -0.660   8.114
  222   HH22  ARG 159          2HH2      ARG 159 -23.477   0.520   8.240
  223    H    ARG 160           H        ARG 160 -15.241   2.611   3.084
  224    HA   ARG 160           HA       ARG 160 -15.859   4.950   1.606
  225    HB2  ARG 160           HB2      ARG 160 -14.095   4.677   3.437
  226    HB3  ARG 160           HB1      ARG 160 -13.078   3.953   2.201
  227    HG2  ARG 160           HG2      ARG 160 -13.255   6.016   0.871
  228    HG3  ARG 160           HG1      ARG 160 -14.215   6.743   2.160
  229    HD2  ARG 160           HD2      ARG 160 -11.398   5.718   2.455
  230    HD3  ARG 160           HD1      ARG 160 -11.839   7.408   2.228
  231    HE   ARG 160           HE       ARG 160 -13.186   6.960   4.410
  232   HH11  ARG 160          1HH1      ARG 160 -10.066   5.597   3.604
  233   HH12  ARG 160          2HH1      ARG 160  -9.493   5.595   5.249
  234   HH21  ARG 160          1HH2      ARG 160 -12.441   6.974   6.578
  235   HH22  ARG 160          2HH2      ARG 160 -10.837   6.386   6.936
  236    H    TYR 161           H        TYR 161 -13.855   2.092   0.880
  237    HA   TYR 161           HA       TYR 161 -13.177   2.623  -1.735
  238    HB2  TYR 161           HB2      TYR 161 -12.459   0.639  -0.404
  239    HB3  TYR 161           HB1      TYR 161 -14.060  -0.055  -0.638
  240    HD1  TYR 161           HD2      TYR 161 -14.754  -0.832  -2.882
  241    HD2  TYR 161           HD1      TYR 161 -10.819   0.608  -2.146
  242    HE1  TYR 161           HE2      TYR 161 -13.995  -1.849  -4.985
  243    HE2  TYR 161           HE1      TYR 161 -10.050  -0.407  -4.249
  244    HH   TYR 161           HH       TYR 161 -10.723  -2.216  -5.766
  245    H    LYS 162           H        LYS 162 -16.123   1.026  -0.566
  246    HA   LYS 162           HA       LYS 162 -17.315   0.608  -3.061
  247    HB2  LYS 162           HB2      LYS 162 -18.538   0.977  -0.332
  248    HB3  LYS 162           HB1      LYS 162 -19.459   0.504  -1.751
  249    HG2  LYS 162           HG2      LYS 162 -18.156  -1.516  -1.969
  250    HG3  LYS 162           HG1      LYS 162 -17.133  -1.030  -0.618
  251    HD2  LYS 162           HD2      LYS 162 -18.727  -2.632   0.178
  252    HD3  LYS 162           HD1      LYS 162 -19.149  -1.054   0.839
  253    HE2  LYS 162           HE2      LYS 162 -20.422  -2.061  -1.679
  254    HE3  LYS 162           HE1      LYS 162 -21.018  -2.570  -0.104
  255    HZ1  LYS 162           HZ1      LYS 162 -22.261  -0.685  -0.926
  256    HZ2  LYS 162           HZ2      LYS 162 -20.846   0.239  -1.070
  257    HZ3  LYS 162           HZ3      LYS 162 -21.391  -0.238   0.459
  258    H    ARG 163           H        ARG 163 -17.447   3.410  -0.915
  259    HA   ARG 163           HA       ARG 163 -19.507   4.702  -2.434
  260    HB2  ARG 163           HB2      ARG 163 -19.264   5.129  -0.044
  261    HB3  ARG 163           HB1      ARG 163 -17.660   5.795  -0.311
  262    HG2  ARG 163           HG2      ARG 163 -18.594   7.635  -1.572
  263    HG3  ARG 163           HG1      ARG 163 -20.211   6.947  -1.420
  264    HD2  ARG 163           HD2      ARG 163 -20.102   7.199   1.001
  265    HD3  ARG 163           HD1      ARG 163 -18.471   7.855   0.870
  266    HE   ARG 163           HE       ARG 163 -19.502   9.731  -0.397
  267   HH11  ARG 163          1HH1      ARG 163 -21.467   7.807   1.779
  268   HH12  ARG 163          2HH1      ARG 163 -22.594   9.087   2.094
  269   HH21  ARG 163          1HH2      ARG 163 -20.999  11.413   0.019
  270   HH22  ARG 163          2HH2      ARG 163 -22.338  11.121   1.094
  271    H    HIS 164           H        HIS 164 -15.977   5.080  -2.157
  272    HA   HIS 164           HA       HIS 164 -15.897   7.373  -3.843
  273    HB2  HIS 164           HB2      HIS 164 -14.130   6.728  -2.154
  274    HB3  HIS 164           HB1      HIS 164 -13.598   5.493  -3.290
  275    HD1  HIS 164           HD1      HIS 164 -13.357   9.097  -2.545
  276    HD2  HIS 164           HD2      HIS 164 -12.437   6.547  -5.705
  277    HE1  HIS 164           HE1      HIS 164 -11.835  10.407  -4.059
  278    HE2  HIS 164           HE2      HIS 164 -11.470   8.922  -6.054
  279    H    PHE 165           H        PHE 165 -15.739   3.925  -4.438
  280    HA   PHE 165           HA       PHE 165 -15.094   4.431  -7.240
  281    HB2  PHE 165           HB2      PHE 165 -15.175   1.935  -5.571
  282    HB3  PHE 165           HB1      PHE 165 -15.123   1.856  -7.331
  283    HD1  PHE 165           HD1      PHE 165 -13.170   2.596  -8.552
  284    HD2  PHE 165           HD2      PHE 165 -13.268   2.684  -4.301
  285    HE1  PHE 165           HE1      PHE 165 -10.731   2.882  -8.508
  286    HE2  PHE 165           HE2      PHE 165 -10.826   2.973  -4.249
  287    HZ   PHE 165           HZ       PHE 165  -9.556   3.073  -6.355
  288    H    LYS 166           H        LYS 166 -17.773   4.445  -5.419
  289    HA   LYS 166           HA       LYS 166 -19.994   4.285  -5.773
  290    HB2  LYS 166           HB2      LYS 166 -19.020   4.740  -8.581
  291    HB3  LYS 166           HB1      LYS 166 -20.731   4.587  -8.215
  292    HG2  LYS 166           HG2      LYS 166 -20.271   6.893  -8.284
  293    HG3  LYS 166           HG1      LYS 166 -20.436   6.480  -6.580
  294    HD2  LYS 166           HD2      LYS 166 -18.566   7.965  -6.845
  295    HD3  LYS 166           HD1      LYS 166 -17.965   6.363  -6.418
  296    HE2  LYS 166           HE2      LYS 166 -16.581   7.284  -8.154
  297    HE3  LYS 166           HE1      LYS 166 -17.512   5.943  -8.816
  298    HZ1  LYS 166           HZ1      LYS 166 -17.471   7.822 -10.322
  299    HZ2  LYS 166           HZ2      LYS 166 -18.159   8.828  -9.145
  300    HZ3  LYS 166           HZ3      LYS 166 -19.051   7.535  -9.786
  301    H    LEU 167           H        LEU 167 -19.798   2.049  -5.000
  302    HA   LEU 167           HA       LEU 167 -20.484   0.115  -7.108
  303    HB2  LEU 167           HB2      LEU 167 -19.492  -0.374  -4.294
  304    HB3  LEU 167           HB1      LEU 167 -19.883  -1.620  -5.463
  305    HG   LEU 167           HG       LEU 167 -17.671   0.414  -5.775
  306   HD11  LEU 167          1HD1      LEU 167 -17.550  -2.517  -5.090
  307   HD12  LEU 167          2HD1      LEU 167 -17.187  -1.178  -4.001
  308   HD13  LEU 167          3HD1      LEU 167 -16.166  -1.472  -5.409
  309   HD21  LEU 167          3HD2      LEU 167 -18.594  -0.301  -7.911
  310   HD22  LEU 167          1HD2      LEU 167 -18.411  -1.988  -7.438
  311   HD23  LEU 167          2HD2      LEU 167 -16.984  -0.980  -7.668
  312    HA   PRO 168           HA       PRO 168 -24.578   0.792  -5.333
  313    HB2  PRO 168           HB2      PRO 168 -25.880  -0.759  -7.182
  314    HB3  PRO 168           HB1      PRO 168 -25.441   0.932  -7.451
  315    HG2  PRO 168           HG2      PRO 168 -24.056  -1.557  -8.359
  316    HG3  PRO 168           HG1      PRO 168 -24.332  -0.044  -9.242
  317    HD2  PRO 168           HD2      PRO 168 -21.952  -0.644  -8.123
  318    HD3  PRO 168           HD1      PRO 168 -22.557   1.022  -8.220
  319    H    THR 169           H        THR 169 -25.334  -0.297  -3.661
  320    HA   THR 169           HA       THR 169 -25.301  -3.219  -3.672
  321    HB   THR 169           HB       THR 169 -24.402  -3.150  -1.294
  322    HG1  THR 169           HG1      THR 169 -24.473  -0.517  -1.799
  323   HG21  THR 169          3HG2      THR 169 -22.088  -3.128  -2.004
  324   HG22  THR 169          1HG2      THR 169 -22.507  -2.224  -3.464
  325   HG23  THR 169          2HG2      THR 169 -23.071  -3.886  -3.256
  326    H    ARG 170           H        ARG 170 -26.798  -4.176  -2.270
  327    HA   ARG 170           HA       ARG 170 -28.995  -2.399  -1.561
  328    HB2  ARG 170           HB2      ARG 170 -30.265  -4.536  -1.221
  329    HB3  ARG 170           HB1      ARG 170 -29.659  -4.296  -2.850
  330    HG2  ARG 170           HG2      ARG 170 -29.229  -6.531  -2.449
  331    HG3  ARG 170           HG1      ARG 170 -27.680  -5.765  -2.096
  332    HD2  ARG 170           HD2      ARG 170 -28.209  -5.800   0.290
  333    HD3  ARG 170           HD1      ARG 170 -29.760  -6.559  -0.060
  334    HE   ARG 170           HE       ARG 170 -27.665  -8.099  -1.167
  335   HH11  ARG 170          1HH1      ARG 170 -29.053  -7.232   1.931
  336   HH12  ARG 170          2HH1      ARG 170 -28.609  -8.729   2.697
  337   HH21  ARG 170          1HH2      ARG 170 -27.067 -10.064  -0.171
  338   HH22  ARG 170          2HH2      ARG 170 -27.458 -10.340   1.501
  339    HA   PRO 171           HA       PRO 171 -28.386  -2.283   2.780
  340    HB2  PRO 171           HB2      PRO 171 -31.200  -3.133   3.167
  341    HB3  PRO 171           HB1      PRO 171 -30.384  -1.664   3.712
  342    HG2  PRO 171           HG2      PRO 171 -32.126  -1.592   1.697
  343    HG3  PRO 171           HG1      PRO 171 -30.657  -0.600   1.671
  344    HD2  PRO 171           HD2      PRO 171 -31.241  -3.161   0.235
  345    HD3  PRO 171           HD1      PRO 171 -30.392  -1.712  -0.344
  346    H    GLY 172           H        GLY 172 -27.801  -3.576   4.438
  347    HA2  GLY 172           HA2      GLY 172 -28.169  -5.572   5.792
  348    HA3  GLY 172           HA1      GLY 172 -28.628  -6.413   4.316
  349    H    LEU 173           H        LEU 173 -25.918  -4.218   4.530
  350    HA   LEU 173           HA       LEU 173 -24.169  -6.297   3.565
  351    HB2  LEU 173           HB2      LEU 173 -23.657  -3.397   4.206
  352    HB3  LEU 173           HB1      LEU 173 -22.481  -4.478   3.483
  353    HG   LEU 173           HG       LEU 173 -25.110  -3.652   2.251
  354   HD11  LEU 173          1HD1      LEU 173 -23.451  -1.862   2.286
  355   HD12  LEU 173          2HD1      LEU 173 -23.746  -2.447   0.648
  356   HD13  LEU 173          3HD1      LEU 173 -22.284  -2.932   1.508
  357   HD21  LEU 173          3HD2      LEU 173 -24.529  -5.911   1.604
  358   HD22  LEU 173          1HD2      LEU 173 -22.897  -5.393   1.179
  359   HD23  LEU 173          2HD2      LEU 173 -24.278  -4.809   0.250
  360    H    ASN 174           H        ASN 174 -22.013  -6.612   4.534
  361    HA   ASN 174           HA       ASN 174 -21.898  -6.341   7.435
  362    HB2  ASN 174           HB2      ASN 174 -23.105  -8.492   6.816
  363    HB3  ASN 174           HB1      ASN 174 -21.608  -9.025   6.063
  364   HD21  ASN 174          1HD2      ASN 174 -23.240  -8.337   9.036
  365   HD22  ASN 174          2HD2      ASN 174 -22.085  -9.095  10.076
  366    H    LYS 175           H        LYS 175 -19.696  -7.172   8.220
  367    HA   LYS 175           HA       LYS 175 -17.559  -6.029   6.912
  368    HB2  LYS 175           HB2      LYS 175 -17.412  -6.723   9.229
  369    HB3  LYS 175           HB1      LYS 175 -17.591  -8.410   8.777
  370    HG2  LYS 175           HG2      LYS 175 -15.291  -7.935   9.331
  371    HG3  LYS 175           HG1      LYS 175 -15.430  -8.321   7.617
  372    HD2  LYS 175           HD2      LYS 175 -15.385  -5.923   7.086
  373    HD3  LYS 175           HD1      LYS 175 -15.219  -5.551   8.802
  374    HE2  LYS 175           HE2      LYS 175 -13.269  -7.279   7.295
  375    HE3  LYS 175           HE1      LYS 175 -13.088  -5.533   7.439
  376    HZ1  LYS 175           HZ1      LYS 175 -13.205  -7.437   9.727
  377    HZ2  LYS 175           HZ2      LYS 175 -12.973  -5.762   9.832
  378    HZ3  LYS 175           HZ3      LYS 175 -11.795  -6.734   9.103
  379    H    ALA 176           H        ALA 176 -18.577  -9.436   6.804
  380    HA   ALA 176           HA       ALA 176 -16.618 -10.300   4.975
  381    HB1  ALA 176           HB1      ALA 176 -18.013 -12.269   4.672
  382    HB2  ALA 176           HB2      ALA 176 -19.373 -11.446   5.433
  383    HB3  ALA 176           HB3      ALA 176 -17.934 -11.828   6.378
  384    H    GLN 177           H        GLN 177 -19.859  -8.979   4.509
  385    HA   GLN 177           HA       GLN 177 -20.092  -9.502   1.751
  386    HB2  GLN 177           HB2      GLN 177 -21.391  -7.516   3.597
  387    HB3  GLN 177           HB1      GLN 177 -21.703  -7.470   1.868
  388    HG2  GLN 177           HG2      GLN 177 -22.158  -9.894   3.592
  389    HG3  GLN 177           HG1      GLN 177 -23.400  -8.707   3.196
  390   HE21  GLN 177          1HE2      GLN 177 -23.305 -11.537   2.568
  391   HE22  GLN 177          2HE2      GLN 177 -23.400 -11.662   0.846
  392    H    LEU 178           H        LEU 178 -18.960  -6.677   3.542
  393    HA   LEU 178           HA       LEU 178 -18.491  -5.016   1.331
  394    HB2  LEU 178           HB2      LEU 178 -17.071  -5.036   3.995
  395    HB3  LEU 178           HB1      LEU 178 -17.067  -3.715   2.844
  396    HG   LEU 178           HG       LEU 178 -19.476  -4.739   4.347
  397   HD11  LEU 178          1HD1      LEU 178 -19.395  -2.647   5.533
  398   HD12  LEU 178          2HD1      LEU 178 -17.994  -2.124   4.596
  399   HD13  LEU 178          3HD1      LEU 178 -17.854  -3.484   5.714
  400   HD21  LEU 178          3HD2      LEU 178 -20.640  -2.824   3.372
  401   HD22  LEU 178          1HD2      LEU 178 -20.081  -3.943   2.129
  402   HD23  LEU 178          2HD2      LEU 178 -19.207  -2.439   2.419
  403    H    VAL 179           H        VAL 179 -16.379  -7.289   3.041
  404    HA   VAL 179           HA       VAL 179 -14.024  -6.767   1.632
  405    HB   VAL 179           HB       VAL 179 -15.003  -9.274   2.996
  406   HG11  VAL 179          1HG1      VAL 179 -12.245  -8.686   1.940
  407   HG12  VAL 179          2HG1      VAL 179 -13.362  -9.894   1.307
  408   HG13  VAL 179          3HG1      VAL 179 -12.698 -10.073   2.931
  409   HG21  VAL 179          3HG2      VAL 179 -13.451  -8.602   4.749
  410   HG22  VAL 179          1HG2      VAL 179 -14.642  -7.340   4.438
  411   HG23  VAL 179          2HG2      VAL 179 -13.001  -7.178   3.810
  412    H    GLU 180           H        GLU 180 -16.659  -9.060   0.959
  413    HA   GLU 180           HA       GLU 180 -15.456 -10.258  -1.293
  414    HB2  GLU 180           HB2      GLU 180 -18.389  -9.936  -0.636
  415    HB3  GLU 180           HB1      GLU 180 -17.742 -11.010  -1.867
  416    HG2  GLU 180           HG2      GLU 180 -16.495 -12.215  -0.104
  417    HG3  GLU 180           HG1      GLU 180 -17.270 -11.186   1.098
  418    H    ILE 181           H        ILE 181 -17.604  -7.471  -0.965
  419    HA   ILE 181           HA       ILE 181 -17.901  -6.993  -3.748
  420    HB   ILE 181           HB       ILE 181 -18.228  -5.081  -1.424
  421   HG12  ILE 181          2HG1      ILE 181 -20.321  -6.649  -2.946
  422   HG13  ILE 181          1HG1      ILE 181 -19.647  -7.156  -1.400
  423   HG21  ILE 181          1HG2      ILE 181 -19.588  -3.747  -2.953
  424   HG22  ILE 181          2HG2      ILE 181 -19.232  -4.873  -4.262
  425   HG23  ILE 181          3HG2      ILE 181 -17.937  -3.910  -3.551
  426   HD11  ILE 181          3HD1      ILE 181 -20.505  -5.091  -0.384
  427   HD12  ILE 181          1HD1      ILE 181 -21.779  -6.097  -1.072
  428   HD13  ILE 181          2HD1      ILE 181 -21.234  -4.657  -1.929
  429    H    VAL 182           H        VAL 182 -15.857  -5.442  -1.263
  430    HA   VAL 182           HA       VAL 182 -14.474  -3.704  -2.969
  431    HB   VAL 182           HB       VAL 182 -13.535  -5.014  -0.404
  432   HG11  VAL 182          1HG1      VAL 182 -11.623  -4.304  -1.789
  433   HG12  VAL 182          2HG1      VAL 182 -11.776  -3.342  -0.319
  434   HG13  VAL 182          3HG1      VAL 182 -12.301  -2.678  -1.867
  435   HG21  VAL 182          3HG2      VAL 182 -14.022  -2.845   0.597
  436   HG22  VAL 182          1HG2      VAL 182 -15.465  -3.542  -0.143
  437   HG23  VAL 182          2HG2      VAL 182 -14.590  -2.246  -0.961
  438    H    GLY 183           H        GLY 183 -13.761  -7.026  -1.974
  439    HA2  GLY 183           HA2      GLY 183 -11.280  -7.263  -3.252
  440    HA3  GLY 183           HA1      GLY 183 -12.325  -8.598  -2.796
  441    H    CYS 184           H        CYS 184 -14.530  -7.981  -4.383
  442    HA   CYS 184           HA       CYS 184 -13.820  -9.207  -6.800
  443    HB2  CYS 184           HB2      CYS 184 -16.096  -9.273  -5.809
  444    HB3  CYS 184           HB1      CYS 184 -16.300  -7.573  -6.219
  445    HG   CYS 184           HG       CYS 184 -16.929  -7.867  -8.719
  446    H    HIS 185           H        HIS 185 -14.528  -5.795  -6.048
  447    HA   HIS 185           HA       HIS 185 -13.996  -4.964  -8.748
  448    HB2  HIS 185           HB2      HIS 185 -15.551  -3.737  -7.234
  449    HB3  HIS 185           HB1      HIS 185 -14.167  -3.257  -6.257
  450    HD1  HIS 185           HD1      HIS 185 -12.671  -1.376  -7.154
  451    HD2  HIS 185           HD2      HIS 185 -15.754  -2.427  -9.739
  452    HE1  HIS 185           HE1      HIS 185 -12.739   0.431  -8.901
  453    HE2  HIS 185           HE2      HIS 185 -14.467  -0.336 -10.564
  454    H    PHE 186           H        PHE 186 -12.159  -5.269  -5.796
  455    HA   PHE 186           HA       PHE 186  -9.941  -3.690  -6.451
  456    HB2  PHE 186           HB2      PHE 186 -10.511  -4.675  -4.191
  457    HB3  PHE 186           HB1      PHE 186  -9.916  -6.220  -4.793
  458    HD1  PHE 186           HD1      PHE 186  -8.995  -2.815  -3.826
  459    HD2  PHE 186           HD2      PHE 186  -7.578  -6.637  -5.027
  460    HE1  PHE 186           HE1      PHE 186  -6.727  -2.182  -3.146
  461    HE2  PHE 186           HE2      PHE 186  -5.304  -6.012  -4.351
  462    HZ   PHE 186           HZ       PHE 186  -4.867  -3.780  -3.407
  463    H    LYS 187           H        LYS 187 -10.860  -6.933  -7.340
  464    HA   LYS 187           HA       LYS 187  -8.362  -7.780  -8.369
  465    HB2  LYS 187           HB2      LYS 187 -11.182  -8.655  -8.995
  466    HB3  LYS 187           HB1      LYS 187  -9.755  -9.450  -9.643
  467    HG2  LYS 187           HG2      LYS 187 -10.293  -9.147  -6.700
  468    HG3  LYS 187           HG1      LYS 187 -10.801 -10.544  -7.648
  469    HD2  LYS 187           HD2      LYS 187  -8.469 -10.985  -8.247
  470    HD3  LYS 187           HD1      LYS 187  -7.961  -9.585  -7.300
  471    HE2  LYS 187           HE2      LYS 187  -8.773 -10.610  -5.271
  472    HE3  LYS 187           HE1      LYS 187  -9.440 -11.963  -6.183
  473    HZ1  LYS 187           HZ1      LYS 187  -7.268 -12.414  -5.073
  474    HZ2  LYS 187           HZ2      LYS 187  -6.545 -11.303  -6.136
  475    HZ3  LYS 187           HZ3      LYS 187  -7.275 -12.708  -6.745
  476    H    SER 188           H        SER 188 -10.489  -5.411  -9.513
  477    HA   SER 188           HA       SER 188  -9.275  -5.549 -12.182
  478    HB2  SER 188           HB2      SER 188 -12.197  -4.952 -11.667
  479    HB3  SER 188           HB1      SER 188 -11.405  -5.055 -13.240
  480    HG   SER 188           HG       SER 188 -10.874  -7.293 -12.584
  481    H    ILE 189           H        ILE 189  -8.073  -3.914 -10.576
  482    HA   ILE 189           HA       ILE 189  -9.261  -1.254 -10.974
  483    HB   ILE 189           HB       ILE 189  -6.953  -2.059  -9.193
  484   HG12  ILE 189          2HG1      ILE 189  -9.768  -1.199  -8.504
  485   HG13  ILE 189          1HG1      ILE 189  -9.144  -2.841  -8.380
  486   HG21  ILE 189          1HG2      ILE 189  -6.673   0.202 -10.037
  487   HG22  ILE 189          2HG2      ILE 189  -7.085   0.231  -8.322
  488   HG23  ILE 189          3HG2      ILE 189  -8.312   0.611  -9.530
  489   HD11  ILE 189          3HD1      ILE 189  -8.232  -0.451  -6.796
  490   HD12  ILE 189          1HD1      ILE 189  -7.519  -2.062  -6.705
  491   HD13  ILE 189          2HD1      ILE 189  -9.191  -1.809  -6.209
  492    HA   PRO 190           HA       PRO 190  -6.221  -0.763 -14.282
  493    HB2  PRO 190           HB2      PRO 190  -7.346   1.942 -14.439
  494    HB3  PRO 190           HB1      PRO 190  -7.323   0.673 -15.665
  495    HG2  PRO 190           HG2      PRO 190  -9.594   1.430 -14.424
  496    HG3  PRO 190           HG1      PRO 190  -9.311  -0.242 -14.943
  497    HD2  PRO 190           HD2      PRO 190  -9.068   0.964 -12.212
  498    HD3  PRO 190           HD1      PRO 190  -9.748  -0.606 -12.693
  499    H    VAL 191           H        VAL 191  -4.154  -0.160 -13.940
  500    HA   VAL 191           HA       VAL 191  -3.617   2.202 -12.301
  501    HB   VAL 191           HB       VAL 191  -3.657   0.341 -10.728
  502   HG11  VAL 191          1HG1      VAL 191  -3.137  -1.497 -12.215
  503   HG12  VAL 191          2HG1      VAL 191  -2.014  -1.472 -10.855
  504   HG13  VAL 191          3HG1      VAL 191  -1.498  -0.882 -12.434
  505   HG21  VAL 191          3HG2      VAL 191  -1.417   0.583  -9.758
  506   HG22  VAL 191          1HG2      VAL 191  -2.097   2.128 -10.271
  507   HG23  VAL 191          2HG2      VAL 191  -0.867   1.337 -11.256
  508    H    ASN 192           H        ASN 192  -1.982   3.396 -13.066
  509    HA   ASN 192           HA       ASN 192  -0.193   2.189 -15.072
  510    HB2  ASN 192           HB2      ASN 192  -1.117   5.038 -14.685
  511    HB3  ASN 192           HB1      ASN 192   0.250   4.621 -15.713
  512   HD21  ASN 192          1HD2      ASN 192  -0.106   3.571 -17.656
  513   HD22  ASN 192          2HD2      ASN 192  -1.687   3.427 -18.357
  514    H    GLU 193           H        GLU 193   1.896   2.019 -14.620
  515    HA   GLU 193           HA       GLU 193   2.822   2.056 -12.043
  516    HB2  GLU 193           HB2      GLU 193   3.847   0.835 -13.924
  517    HB3  GLU 193           HB1      GLU 193   4.478   2.352 -14.549
  518    HG2  GLU 193           HG2      GLU 193   5.834   2.622 -12.545
  519    HG3  GLU 193           HG1      GLU 193   5.189   1.110 -11.903
  520    H    LYS 194           H        LYS 194   3.813   4.434 -14.528
  521    HA   LYS 194           HA       LYS 194   5.414   5.997 -12.869
  522    HB2  LYS 194           HB2      LYS 194   5.475   6.149 -15.285
  523    HB3  LYS 194           HB1      LYS 194   3.860   6.846 -15.298
  524    HG2  LYS 194           HG2      LYS 194   4.708   8.765 -14.008
  525    HG3  LYS 194           HG1      LYS 194   6.331   8.073 -14.103
  526    HD2  LYS 194           HD2      LYS 194   6.037   9.751 -15.820
  527    HD3  LYS 194           HD1      LYS 194   6.202   8.149 -16.537
  528    HE2  LYS 194           HE2      LYS 194   3.772   8.005 -16.786
  529    HE3  LYS 194           HE1      LYS 194   3.605   9.612 -16.080
  530    HZ1  LYS 194           HZ1      LYS 194   4.814  10.538 -17.934
  531    HZ2  LYS 194           HZ2      LYS 194   3.490   9.646 -18.503
  532    HZ3  LYS 194           HZ3      LYS 194   5.055   8.994 -18.600
  533    H    ASP 195           H        ASP 195   2.105   6.791 -13.957
  534    HA   ASP 195           HA       ASP 195   1.751   9.111 -12.487
  535    HB2  ASP 195           HB2      ASP 195   0.173   8.451 -14.201
  536    HB3  ASP 195           HB1      ASP 195  -0.296   7.029 -13.274
  537    H    THR 196           H        THR 196   1.208   5.787 -11.511
  538    HA   THR 196           HA       THR 196  -0.119   6.388  -9.082
  539    HB   THR 196           HB       THR 196   1.322   3.859  -9.896
  540    HG1  THR 196           HG1      THR 196  -0.267   4.177 -11.371
  541   HG21  THR 196          3HG2      THR 196   0.856   3.970  -7.488
  542   HG22  THR 196          1HG2      THR 196  -0.144   2.758  -8.286
  543   HG23  THR 196          2HG2      THR 196  -0.840   4.314  -7.837
  544    H    LEU 197           H        LEU 197   3.248   5.634  -9.909
  545    HA   LEU 197           HA       LEU 197   4.203   5.621  -7.244
  546    HB2  LEU 197           HB2      LEU 197   5.681   6.257  -9.799
  547    HB3  LEU 197           HB1      LEU 197   6.433   5.955  -8.247
  548    HG   LEU 197           HG       LEU 197   4.911   3.978  -9.939
  549   HD11  LEU 197          1HD1      LEU 197   7.066   2.805  -9.975
  550   HD12  LEU 197          2HD1      LEU 197   7.791   4.127  -9.058
  551   HD13  LEU 197          3HD1      LEU 197   7.177   4.415 -10.688
  552   HD21  LEU 197          3HD2      LEU 197   5.445   2.332  -8.204
  553   HD22  LEU 197          1HD2      LEU 197   4.389   3.602  -7.589
  554   HD23  LEU 197          2HD2      LEU 197   6.107   3.616  -7.192
  555    H    THR 198           H        THR 198   4.130   8.137  -9.751
  556    HA   THR 198           HA       THR 198   5.429  10.151  -8.332
  557    HB   THR 198           HB       THR 198   3.168  10.536 -10.309
  558    HG1  THR 198           HG1      THR 198   4.627  10.228 -11.890
  559   HG21  THR 198          3HG2      THR 198   3.771  12.585  -9.144
  560   HG22  THR 198          1HG2      THR 198   4.330  12.652 -10.816
  561   HG23  THR 198          2HG2      THR 198   5.475  12.320  -9.516
  562    H    CYS 199           H        CYS 199   1.970   9.360  -8.485
  563    HA   CYS 199           HA       CYS 199   1.068  11.461  -6.854
  564    HB2  CYS 199           HB2      CYS 199  -0.146   8.730  -7.314
  565    HB3  CYS 199           HB1      CYS 199  -0.967  10.087  -6.547
  566    HG   CYS 199           HG       CYS 199  -0.140   9.687  -9.820
  567    H    PHE 200           H        PHE 200   1.888   8.094  -6.033
  568    HA   PHE 200           HA       PHE 200   1.231   8.268  -3.313
  569    HB2  PHE 200           HB2      PHE 200   1.591   6.118  -4.388
  570    HB3  PHE 200           HB1      PHE 200   3.279   6.524  -4.701
  571    HD1  PHE 200           HD1      PHE 200   0.868   6.124  -1.887
  572    HD2  PHE 200           HD2      PHE 200   4.902   5.828  -3.215
  573    HE1  PHE 200           HE1      PHE 200   1.494   5.105   0.261
  574    HE2  PHE 200           HE2      PHE 200   5.538   4.813  -1.063
  575    HZ   PHE 200           HZ       PHE 200   3.832   4.448   0.675
  576    H    ILE 201           H        ILE 201   4.326   8.749  -4.977
  577    HA   ILE 201           HA       ILE 201   5.886   9.078  -2.701
  578    HB   ILE 201           HB       ILE 201   6.287  10.216  -5.469
  579   HG12  ILE 201          2HG1      ILE 201   7.450   7.805  -4.053
  580   HG13  ILE 201          1HG1      ILE 201   6.255   7.769  -5.343
  581   HG21  ILE 201          1HG2      ILE 201   8.252  10.078  -3.183
  582   HG22  ILE 201          2HG2      ILE 201   7.546  11.544  -3.862
  583   HG23  ILE 201          3HG2      ILE 201   8.631  10.554  -4.839
  584   HD11  ILE 201          3HD1      ILE 201   7.921   8.780  -6.858
  585   HD12  ILE 201          1HD1      ILE 201   8.410   7.208  -6.222
  586   HD13  ILE 201          2HD1      ILE 201   9.109   8.684  -5.557
  587    H    TYR 202           H        TYR 202   4.315  11.632  -4.696
  588    HA   TYR 202           HA       TYR 202   5.408  13.693  -3.064
  589    HB2  TYR 202           HB2      TYR 202   4.421  15.224  -4.466
  590    HB3  TYR 202           HB1      TYR 202   4.512  13.828  -5.526
  591    HD1  TYR 202           HD2      TYR 202   2.260  15.950  -3.531
  592    HD2  TYR 202           HD1      TYR 202   2.507  12.756  -6.331
  593    HE1  TYR 202           HE2      TYR 202  -0.151  16.147  -3.958
  594    HE2  TYR 202           HE1      TYR 202   0.096  12.951  -6.768
  595    HH   TYR 202           HH       TYR 202  -1.924  13.796  -5.628
  596    H    SER 203           H        SER 203   2.367  11.921  -3.010
  597    HA   SER 203           HA       SER 203   1.013  13.635  -1.220
  598    HB2  SER 203           HB2      SER 203   0.660  10.651  -1.608
  599    HB3  SER 203           HB1      SER 203  -0.491  11.734  -0.826
  600    HG   SER 203           HG       SER 203   0.175  11.470  -3.533
  601    H    VAL 204           H        VAL 204   2.884  10.660  -0.674
  602    HA   VAL 204           HA       VAL 204   2.519  10.697   2.145
  603    HB   VAL 204           HB       VAL 204   4.616   9.230   0.530
  604   HG11  VAL 204          1HG1      VAL 204   3.553   8.711   3.305
  605   HG12  VAL 204          2HG1      VAL 204   5.166   9.302   2.901
  606   HG13  VAL 204          3HG1      VAL 204   4.676   7.675   2.425
  607   HG21  VAL 204          3HG2      VAL 204   2.359   8.726  -0.229
  608   HG22  VAL 204          1HG2      VAL 204   1.874   8.358   1.426
  609   HG23  VAL 204          2HG2      VAL 204   3.063   7.343   0.610
  610    H    ARG 205           H        ARG 205   4.825  12.157  -0.008
  611    HA   ARG 205           HA       ARG 205   6.741  12.823   2.005
  612    HB2  ARG 205           HB2      ARG 205   6.282  13.552  -0.836
  613    HB3  ARG 205           HB1      ARG 205   7.247  14.663   0.127
  614    HG2  ARG 205           HG2      ARG 205   8.893  13.043   0.552
  615    HG3  ARG 205           HG1      ARG 205   7.846  11.724   0.027
  616    HD2  ARG 205           HD2      ARG 205   9.648  12.339  -1.588
  617    HD3  ARG 205           HD1      ARG 205   8.016  12.392  -2.250
  618    HE   ARG 205           HE       ARG 205   8.724  14.953  -1.306
  619   HH11  ARG 205          1HH1      ARG 205   9.568  12.713  -3.862
  620   HH12  ARG 205          2HH1      ARG 205   9.966  13.959  -5.006
  621   HH21  ARG 205          1HH2      ARG 205   9.225  16.589  -2.784
  622   HH22  ARG 205          2HH2      ARG 205   9.752  16.185  -4.395
  623    H    ASN 206           H        ASN 206   3.716  14.168   1.033
  624    HA   ASN 206           HA       ASN 206   4.270  16.632   2.512
  625    HB2  ASN 206           HB2      ASN 206   1.933  15.840   0.765
  626    HB3  ASN 206           HB1      ASN 206   1.988  17.335   1.694
  627   HD21  ASN 206          1HD2      ASN 206   4.909  17.577   1.240
  628   HD22  ASN 206          2HD2      ASN 206   5.075  18.138  -0.388
  629    H    ASP 207           H        ASP 207   1.383  14.542   2.322
  630    HA   ASP 207           HA       ASP 207   1.392  14.315   5.231
  631    HB2  ASP 207           HB2      ASP 207  -0.848  15.511   3.610
  632    HB3  ASP 207           HB1      ASP 207  -1.144  14.744   5.168
  633    H    LYS 208           H        LYS 208   0.968  12.319   5.827
  634    HA   LYS 208           HA       LYS 208   0.265  10.418   3.736
  635    HB2  LYS 208           HB2      LYS 208   0.955   9.751   6.594
  636    HB3  LYS 208           HB1      LYS 208   1.030   8.697   5.193
  637    HG2  LYS 208           HG2      LYS 208   3.237   9.139   5.434
  638    HG3  LYS 208           HG1      LYS 208   2.802  10.495   4.392
  639    HD2  LYS 208           HD2      LYS 208   2.984  12.029   6.085
  640    HD3  LYS 208           HD1      LYS 208   2.571  10.857   7.337
  641    HE2  LYS 208           HE2      LYS 208   4.880  11.469   7.580
  642    HE3  LYS 208           HE1      LYS 208   4.789   9.803   7.015
  643    HZ1  LYS 208           HZ1      LYS 208   5.244  10.611   4.762
  644    HZ2  LYS 208           HZ2      LYS 208   6.493  10.992   5.834
  645    HZ3  LYS 208           HZ3      LYS 208   5.393  12.191   5.355
  646    H    ASN 209           H        ASN 209  -1.948  10.845   3.483
  647    HA   ASN 209           HA       ASN 209  -4.114  10.192   3.710
  648    HB2  ASN 209           HB2      ASN 209  -3.446   8.033   4.485
  649    HB3  ASN 209           HB1      ASN 209  -3.024   8.660   6.073
  650   HD21  ASN 209          1HD2      ASN 209  -4.552   8.759   7.629
  651   HD22  ASN 209          2HD2      ASN 209  -6.206   8.275   7.400
  652    H    LYS 210           H        LYS 210  -5.508  11.750   4.127
  653    HA   LYS 210           HA       LYS 210  -5.369  13.092   6.758
  654    HB2  LYS 210           HB2      LYS 210  -6.595  14.211   4.239
  655    HB3  LYS 210           HB1      LYS 210  -6.181  15.078   5.710
  656    HG2  LYS 210           HG2      LYS 210  -3.803  14.692   5.252
  657    HG3  LYS 210           HG1      LYS 210  -4.241  13.864   3.754
  658    HD2  LYS 210           HD2      LYS 210  -5.438  15.978   3.077
  659    HD3  LYS 210           HD1      LYS 210  -4.675  16.757   4.465
  660    HE2  LYS 210           HE2      LYS 210  -3.352  17.215   2.527
  661    HE3  LYS 210           HE1      LYS 210  -2.466  16.083   3.547
  662    HZ1  LYS 210           HZ1      LYS 210  -4.082  15.312   1.176
  663    HZ2  LYS 210           HZ2      LYS 210  -3.115  14.279   2.110
  664    HZ3  LYS 210           HZ3      LYS 210  -2.396  15.502   1.177
  665    H    SER 211           H        SER 211  -6.959  10.642   5.818
  666    HA   SER 211           HA       SER 211  -9.681  11.497   5.673
  667    HB2  SER 211           HB2      SER 211 -10.185   9.054   5.852
  668    HB3  SER 211           HB1      SER 211  -9.027   9.442   4.579
  669    HG   SER 211           HG       SER 211  -7.652   8.200   5.543
  670    H    ASP 212           H        ASP 212  -7.826   9.766   8.172
  671    HA   ASP 212           HA       ASP 212  -9.914  10.470  10.117
  672    HB2  ASP 212           HB2      ASP 212  -8.937   8.667  11.520
  673    HB3  ASP 212           HB1      ASP 212  -9.529   8.085   9.968
  674    H    LEU 213           H        LEU 213  -7.575  12.114   9.124
  675    HA   LEU 213           HA       LEU 213  -5.626  12.339  11.137
  676    HB2  LEU 213           HB2      LEU 213  -5.401  13.279   8.866
  677    HB3  LEU 213           HB1      LEU 213  -6.640  14.461   9.238
  678    HG   LEU 213           HG       LEU 213  -5.167  15.398  11.005
  679   HD11  LEU 213          1HD1      LEU 213  -2.792  14.769  11.007
  680   HD12  LEU 213          2HD1      LEU 213  -3.149  13.466   9.873
  681   HD13  LEU 213          3HD1      LEU 213  -3.836  13.433  11.495
  682   HD21  LEU 213          3HD2      LEU 213  -3.604  16.489   9.463
  683   HD22  LEU 213          1HD2      LEU 213  -5.232  16.402   8.794
  684   HD23  LEU 213          2HD2      LEU 213  -3.988  15.287   8.232
  685    H    LYS 214           H        LYS 214  -8.638  14.134  10.583
  686    HA   LYS 214           HA       LYS 214 -10.021  15.295  11.951
  687    HB2  LYS 214           HB2      LYS 214  -8.541  13.958  14.224
  688    HB3  LYS 214           HB1      LYS 214 -10.113  14.738  14.320
  689    HG2  LYS 214           HG2      LYS 214 -11.032  13.053  12.793
  690    HG3  LYS 214           HG1      LYS 214  -9.455  12.263  12.732
  691    HD2  LYS 214           HD2      LYS 214  -9.580  11.926  15.184
  692    HD3  LYS 214           HD1      LYS 214 -11.205  12.615  15.167
  693    HE2  LYS 214           HE2      LYS 214 -11.430  10.243  15.154
  694    HE3  LYS 214           HE1      LYS 214 -11.857  10.827  13.547
  695    HZ1  LYS 214           HZ1      LYS 214  -9.481  10.292  12.925
  696    HZ2  LYS 214           HZ2      LYS 214 -10.494   8.964  13.213
  697    HZ3  LYS 214           HZ3      LYS 214  -9.373   9.446  14.392
  698    H    ALA 215           H        ALA 215  -9.911  16.791  14.075
  699    HA   ALA 215           HA       ALA 215  -7.373  18.266  14.054
  700    HB1  ALA 215           HB1      ALA 215  -8.585  20.397  14.017
  701    HB2  ALA 215           HB2      ALA 215 -10.107  19.526  13.821
  702    HB3  ALA 215           HB3      ALA 215  -8.881  19.458  12.555
  703    H    ASP 216           H        ASP 216  -7.464  19.979  15.882
  704    HA   ASP 216           HA       ASP 216  -8.024  18.565  18.313
  705    HB2  ASP 216           HB2      ASP 216  -6.997  21.372  17.835
  706    HB3  ASP 216           HB1      ASP 216  -7.135  20.619  19.421
  707    H    SER 217           H        SER 217  -9.680  18.814  19.677
  708    HA   SER 217           HA       SER 217 -11.990  20.239  18.739
  709    HB2  SER 217           HB2      SER 217 -11.622  18.765  21.357
  710    HB3  SER 217           HB1      SER 217 -13.147  19.168  20.566
  711    HG   SER 217           HG       SER 217 -12.959  17.343  19.556
  712    H    GLY 218           H        GLY 218  -9.391  20.882  20.875
  713    HA2  GLY 218           HA2      GLY 218  -9.029  23.252  21.353
  714    HA3  GLY 218           HA1      GLY 218 -10.750  23.373  21.694
  715    H    VAL 219           H        VAL 219  -9.413  20.497  22.833
  716    HA   VAL 219           HA       VAL 219  -8.682  19.713  24.834
  717    HB   VAL 219           HB       VAL 219  -8.281  22.598  25.662
  718   HG11  VAL 219          1HG1      VAL 219  -8.379  21.111  27.580
  719   HG12  VAL 219          2HG1      VAL 219  -6.726  21.668  27.325
  720   HG13  VAL 219          3HG1      VAL 219  -7.192  20.040  26.835
  721   HG21  VAL 219          3HG2      VAL 219  -6.972  22.046  23.681
  722   HG22  VAL 219          1HG2      VAL 219  -6.318  20.625  24.496
  723   HG23  VAL 219          2HG2      VAL 219  -5.928  22.239  25.089
  724    H    HIS 220           H        HIS 220 -11.288  21.820  24.465
  725    HA   HIS 220           HA       HIS 220 -12.618  20.643  26.780
  726    HB2  HIS 220           HB2      HIS 220 -11.626  22.902  27.391
  727    HB3  HIS 220           HB1      HIS 220 -12.735  23.610  26.225
  728    HD1  HIS 220           HD1      HIS 220 -12.541  22.261  29.664
  729    HD2  HIS 220           HD2      HIS 220 -15.477  23.508  26.995
  730    HE1  HIS 220           HE1      HIS 220 -14.630  22.554  31.036
  731    HE2  HIS 220           HE2      HIS 220 -16.435  23.070  29.356
  732    H1   SER 454           HT1      SER 454  10.902  22.547 -15.255
  733    H2   SER 454           HT2      SER 454  12.331  22.741 -16.145
  734    H3   SER 454           HT3      SER 454  12.207  21.490 -15.009
  735    HA   SER 454           HA       SER 454  10.506  20.425 -16.290
  736    HB2  SER 454           HB2      SER 454  10.143  21.346 -18.649
  737    HB3  SER 454           HB1      SER 454   9.396  22.239 -17.322
  738    HG   SER 454           HG       SER 454  10.801  23.328 -19.098
  739    H    ASN 455           H        ASN 455  13.509  21.969 -17.379
  740    HA   ASN 455           HA       ASN 455  14.110  19.553 -18.942
  741    HB2  ASN 455           HB2      ASN 455  15.636  20.840 -20.235
  742    HB3  ASN 455           HB1      ASN 455  14.184  21.819 -20.068
  743   HD21  ASN 455          1HD2      ASN 455  17.528  21.528 -19.390
  744   HD22  ASN 455          2HD2      ASN 455  17.744  23.084 -18.656
  745    H    ALA 456           H        ALA 456  15.076  21.355 -16.163
  746    HA   ALA 456           HA       ALA 456  17.481  19.674 -15.910
  747    HB1  ALA 456           HB1      ALA 456  18.420  21.411 -14.485
  748    HB2  ALA 456           HB2      ALA 456  16.949  22.369 -14.661
  749    HB3  ALA 456           HB3      ALA 456  17.977  22.064 -16.061
  750    H    SER 457           H        SER 457  16.953  17.966 -14.686
  751    HA   SER 457           HA       SER 457  15.074  18.158 -12.516
  752    HB2  SER 457           HB2      SER 457  15.891  15.727 -12.154
  753    HB3  SER 457           HB1      SER 457  15.015  16.091 -13.641
  754    HG   SER 457           HG       SER 457  16.855  14.914 -14.156
  755    H    LYS 458           H        LYS 458  15.503  18.339 -10.372
  756    HA   LYS 458           HA       LYS 458  18.113  17.963  -9.266
  757    HB2  LYS 458           HB2      LYS 458  18.307  20.409  -8.550
  758    HB3  LYS 458           HB1      LYS 458  18.704  20.029 -10.220
  759    HG2  LYS 458           HG2      LYS 458  16.538  20.836 -10.952
  760    HG3  LYS 458           HG1      LYS 458  16.064  21.143  -9.280
  761    HD2  LYS 458           HD2      LYS 458  18.382  22.461 -10.688
  762    HD3  LYS 458           HD1      LYS 458  16.787  23.185 -10.475
  763    HE2  LYS 458           HE2      LYS 458  17.049  23.059  -8.053
  764    HE3  LYS 458           HE1      LYS 458  18.629  22.303  -8.254
  765    HZ1  LYS 458           HZ1      LYS 458  18.787  24.676  -7.785
  766    HZ2  LYS 458           HZ2      LYS 458  17.909  25.027  -9.190
  767    HZ3  LYS 458           HZ3      LYS 458  19.437  24.301  -9.307
  768    H    HIS 459           H        HIS 459  17.247  16.790  -7.631
  769    HA   HIS 459           HA       HIS 459  16.103  18.228  -5.444
  770    HB2  HIS 459           HB2      HIS 459  14.138  17.618  -7.086
  771    HB3  HIS 459           HB1      HIS 459  14.341  15.999  -6.422
  772    HD1  HIS 459           HD1      HIS 459  13.524  15.599  -4.021
  773    HD2  HIS 459           HD2      HIS 459  13.155  19.541  -5.277
  774    HE1  HIS 459           HE1      HIS 459  12.106  16.729  -2.285
  775    HE2  HIS 459           HE2      HIS 459  12.069  19.155  -2.965
  776    H    GLY 460           H        GLY 460  16.216  17.017  -3.502
  777    HA2  GLY 460           HA2      GLY 460  18.194  14.943  -3.561
  778    HA3  GLY 460           HA1      GLY 460  17.375  15.564  -2.137
  779    H    VAL 461           H        VAL 461  16.664  13.618  -5.024
  780    HA   VAL 461           HA       VAL 461  15.163  11.766  -3.295
  781    HB   VAL 461           HB       VAL 461  13.728  11.235  -5.260
  782   HG11  VAL 461          1HG1      VAL 461  12.347  13.265  -5.134
  783   HG12  VAL 461          2HG1      VAL 461  13.679  14.108  -4.343
  784   HG13  VAL 461          3HG1      VAL 461  12.906  12.737  -3.546
  785   HG21  VAL 461          3HG2      VAL 461  15.213  11.988  -7.035
  786   HG22  VAL 461          1HG2      VAL 461  15.055  13.655  -6.483
  787   HG23  VAL 461          2HG2      VAL 461  13.655  12.808  -7.140
  788    H    GLY 462           H        GLY 462  14.975   9.550  -4.274
  789    HA2  GLY 462           HA2      GLY 462  16.364   8.378  -6.234
  790    HA3  GLY 462           HA1      GLY 462  17.652   8.742  -5.096
  791    H    THR 463           H        THR 463  16.160   8.311  -2.706
  792    HA   THR 463           HA       THR 463  16.444   5.482  -2.520
  793    HB   THR 463           HB       THR 463  16.954   6.950  -0.617
  794    HG1  THR 463           HG1      THR 463  16.584   5.116   0.373
  795   HG21  THR 463          3HG2      THR 463  13.969   7.371  -0.449
  796   HG22  THR 463          1HG2      THR 463  15.158   8.592  -0.909
  797   HG23  THR 463          2HG2      THR 463  15.162   7.927   0.724
  798    H    GLU 464           H        GLU 464  13.759   7.617  -3.115
  799    HA   GLU 464           HA       GLU 464  11.658   5.819  -2.504
  800    HB2  GLU 464           HB2      GLU 464  11.619   7.927  -4.678
  801    HB3  GLU 464           HB1      GLU 464  10.237   7.242  -3.842
  802    HG2  GLU 464           HG2      GLU 464  10.469   9.343  -2.897
  803    HG3  GLU 464           HG1      GLU 464  11.244   8.279  -1.724
  804    H    SER 465           H        SER 465  13.387   6.587  -5.479
  805    HA   SER 465           HA       SER 465  12.124   4.712  -7.145
  806    HB2  SER 465           HB2      SER 465  14.985   5.645  -7.427
  807    HB3  SER 465           HB1      SER 465  13.843   5.223  -8.705
  808    HG   SER 465           HG       SER 465  13.059   7.181  -8.644
  809    H    LEU 466           H        LEU 466  14.910   4.538  -5.005
  810    HA   LEU 466           HA       LEU 466  15.846   1.982  -5.658
  811    HB2  LEU 466           HB2      LEU 466  17.090   3.527  -4.240
  812    HB3  LEU 466           HB1      LEU 466  15.847   3.433  -3.009
  813    HG   LEU 466           HG       LEU 466  16.390   1.007  -2.730
  814   HD11  LEU 466          1HD1      LEU 466  18.527   0.205  -3.620
  815   HD12  LEU 466          2HD1      LEU 466  18.699   1.702  -4.537
  816   HD13  LEU 466          3HD1      LEU 466  17.380   0.588  -4.903
  817   HD21  LEU 466          3HD2      LEU 466  18.666   2.940  -2.297
  818   HD22  LEU 466          1HD2      LEU 466  18.445   1.395  -1.474
  819   HD23  LEU 466          2HD2      LEU 466  17.290   2.703  -1.221
  820    H    PHE 467           H        PHE 467  13.526   3.003  -3.158
  821    HA   PHE 467           HA       PHE 467  12.804   0.537  -2.150
  822    HB2  PHE 467           HB2      PHE 467  12.010   2.563  -1.127
  823    HB3  PHE 467           HB1      PHE 467  11.128   3.013  -2.580
  824    HD1  PHE 467           HD2      PHE 467  11.302   0.249  -0.079
  825    HD2  PHE 467           HD1      PHE 467   8.874   2.607  -2.657
  826    HE1  PHE 467           HE2      PHE 467   9.293  -0.853   0.811
  827    HE2  PHE 467           HE1      PHE 467   6.858   1.509  -1.772
  828    HZ   PHE 467           HZ       PHE 467   7.067  -0.225  -0.034
  829    H    PHE 468           H        PHE 468  11.150   2.275  -4.806
  830    HA   PHE 468           HA       PHE 468   9.292   0.219  -5.286
  831    HB2  PHE 468           HB2      PHE 468  10.254   2.432  -7.099
  832    HB3  PHE 468           HB1      PHE 468   8.884   1.383  -7.456
  833    HD1  PHE 468           HD1      PHE 468   7.210   1.205  -5.316
  834    HD2  PHE 468           HD2      PHE 468   9.716   4.499  -6.295
  835    HE1  PHE 468           HE1      PHE 468   5.724   2.706  -4.054
  836    HE2  PHE 468           HE2      PHE 468   8.237   6.001  -5.029
  837    HZ   PHE 468           HZ       PHE 468   6.239   5.107  -3.908
  838    H    ASP 469           H        ASP 469  12.495   0.808  -6.589
  839    HA   ASP 469           HA       ASP 469  12.408  -1.146  -8.634
  840    HB2  ASP 469           HB2      ASP 469  14.136   0.612  -8.528
  841    HB3  ASP 469           HB1      ASP 469  14.793  -0.127  -7.072
  842    H    LYS 470           H        LYS 470  13.528  -1.278  -5.247
  843    HA   LYS 470           HA       LYS 470  14.131  -4.042  -5.319
  844    HB2  LYS 470           HB2      LYS 470  13.510  -2.203  -3.013
  845    HB3  LYS 470           HB1      LYS 470  13.955  -3.891  -2.803
  846    HG2  LYS 470           HG2      LYS 470  16.064  -3.378  -4.071
  847    HG3  LYS 470           HG1      LYS 470  15.626  -1.672  -3.948
  848    HD2  LYS 470           HD2      LYS 470  15.607  -1.854  -1.507
  849    HD3  LYS 470           HD1      LYS 470  16.034  -3.562  -1.629
  850    HE2  LYS 470           HE2      LYS 470  18.110  -2.910  -2.808
  851    HE3  LYS 470           HE1      LYS 470  17.689  -1.218  -2.544
  852    HZ1  LYS 470           HZ1      LYS 470  17.786  -1.607  -0.154
  853    HZ2  LYS 470           HZ2      LYS 470  19.259  -2.015  -0.886
  854    HZ3  LYS 470           HZ3      LYS 470  18.183  -3.236  -0.412
  855    H    VAL 471           H        VAL 471  11.145  -2.271  -4.650
  856    HA   VAL 471           HA       VAL 471   9.598  -4.427  -3.732
  857    HB   VAL 471           HB       VAL 471   8.737  -2.059  -5.411
  858   HG11  VAL 471          1HG1      VAL 471   7.104  -3.834  -5.642
  859   HG12  VAL 471          2HG1      VAL 471   6.457  -2.555  -4.616
  860   HG13  VAL 471          3HG1      VAL 471   7.054  -4.048  -3.894
  861   HG21  VAL 471          3HG2      VAL 471   8.549  -2.562  -2.445
  862   HG22  VAL 471          1HG2      VAL 471   7.932  -1.144  -3.296
  863   HG23  VAL 471          2HG2      VAL 471   9.667  -1.453  -3.239
  864    H    ARG 472           H        ARG 472  10.054  -3.198  -7.025
  865    HA   ARG 472           HA       ARG 472   8.680  -5.152  -8.452
  866    HB2  ARG 472           HB2      ARG 472  10.579  -3.060  -8.980
  867    HB3  ARG 472           HB1      ARG 472  10.992  -4.469  -9.932
  868    HG2  ARG 472           HG2      ARG 472   8.759  -4.481 -10.866
  869    HG3  ARG 472           HG1      ARG 472   8.327  -3.079  -9.893
  870    HD2  ARG 472           HD2      ARG 472  10.022  -1.752 -11.020
  871    HD3  ARG 472           HD1      ARG 472  10.526  -3.158 -11.959
  872    HE   ARG 472           HE       ARG 472   8.012  -1.666 -12.269
  873   HH11  ARG 472          1HH1      ARG 472  10.295  -4.066 -13.448
  874   HH12  ARG 472          2HH1      ARG 472   9.488  -4.246 -14.976
  875   HH21  ARG 472          1HH2      ARG 472   7.002  -1.866 -14.288
  876   HH22  ARG 472          2HH2      ARG 472   7.613  -3.014 -15.449
  877    H    LYS 473           H        LYS 473  12.056  -5.025  -7.467
  878    HA   LYS 473           HA       LYS 473  12.900  -7.392  -8.727
  879    HB2  LYS 473           HB2      LYS 473  14.329  -5.489  -7.989
  880    HB3  LYS 473           HB1      LYS 473  14.090  -6.001  -6.327
  881    HG2  LYS 473           HG2      LYS 473  15.188  -8.134  -6.844
  882    HG3  LYS 473           HG1      LYS 473  15.461  -7.572  -8.497
  883    HD2  LYS 473           HD2      LYS 473  16.715  -5.638  -7.568
  884    HD3  LYS 473           HD1      LYS 473  16.538  -6.346  -5.962
  885    HE2  LYS 473           HE2      LYS 473  17.753  -8.333  -6.710
  886    HE3  LYS 473           HE1      LYS 473  17.931  -7.619  -8.314
  887    HZ1  LYS 473           HZ1      LYS 473  19.074  -6.584  -5.775
  888    HZ2  LYS 473           HZ2      LYS 473  19.155  -5.778  -7.261
  889    HZ3  LYS 473           HZ3      LYS 473  19.928  -7.272  -7.069
  890    H    ALA 474           H        ALA 474  11.745  -6.755  -5.440
  891    HA   ALA 474           HA       ALA 474  12.459  -9.393  -4.522
  892    HB1  ALA 474           HB1      ALA 474  12.630  -7.475  -3.031
  893    HB2  ALA 474           HB2      ALA 474  11.525  -8.689  -2.387
  894    HB3  ALA 474           HB3      ALA 474  10.888  -7.226  -3.138
  895    H    LEU 475           H        LEU 475   9.445  -7.719  -5.360
  896    HA   LEU 475           HA       LEU 475   7.758  -9.813  -4.444
  897    HB2  LEU 475           HB2      LEU 475   7.411  -7.305  -5.953
  898    HB3  LEU 475           HB1      LEU 475   6.223  -8.549  -6.299
  899    HG   LEU 475           HG       LEU 475   5.552  -8.634  -3.973
  900   HD11  LEU 475          1HD1      LEU 475   7.698  -6.579  -3.479
  901   HD12  LEU 475          2HD1      LEU 475   7.713  -8.256  -2.933
  902   HD13  LEU 475          3HD1      LEU 475   6.507  -7.135  -2.302
  903   HD21  LEU 475          3HD2      LEU 475   4.637  -6.388  -3.706
  904   HD22  LEU 475          1HD2      LEU 475   4.501  -6.938  -5.378
  905   HD23  LEU 475          2HD2      LEU 475   5.754  -5.781  -4.931
  906    H    ARG 476           H        ARG 476   9.154  -9.022  -7.590
  907    HA   ARG 476           HA       ARG 476   9.686 -10.336  -9.359
  908    HB2  ARG 476           HB2      ARG 476  10.352 -12.010  -7.672
  909    HB3  ARG 476           HB1      ARG 476   8.713 -12.641  -7.662
  910    HG2  ARG 476           HG2      ARG 476   8.947 -13.299 -10.001
  911    HG3  ARG 476           HG1      ARG 476  10.586 -12.646 -10.022
  912    HD2  ARG 476           HD2      ARG 476   9.614 -14.879  -8.240
  913    HD3  ARG 476           HD1      ARG 476  10.554 -15.091  -9.716
  914    HE   ARG 476           HE       ARG 476  12.067 -13.406  -8.190
  915   HH11  ARG 476          1HH1      ARG 476  10.679 -16.589  -7.680
  916   HH12  ARG 476          2HH1      ARG 476  11.936 -17.087  -6.588
  917   HH21  ARG 476          1HH2      ARG 476  13.720 -14.081  -6.764
  918   HH22  ARG 476          2HH2      ARG 476  13.663 -15.680  -6.074
  919    H    SER 477           H        SER 477   6.592 -11.302  -7.907
  920    HA   SER 477           HA       SER 477   5.404 -12.033 -10.399
  921    HB2  SER 477           HB2      SER 477   4.558 -13.075  -8.415
  922    HB3  SER 477           HB1      SER 477   4.258 -11.518  -7.646
  923    HG   SER 477           HG       SER 477   2.923 -12.574  -9.934
  924    H    ALA 478           H        ALA 478   4.350 -10.820 -11.829
  925    HA   ALA 478           HA       ALA 478   4.518  -7.990 -11.689
  926    HB1  ALA 478           HB1      ALA 478   3.341  -8.005 -13.823
  927    HB2  ALA 478           HB2      ALA 478   2.955  -9.714 -13.609
  928    HB3  ALA 478           HB3      ALA 478   4.632  -9.205 -13.807
  929    H    GLU 479           H        GLU 479   2.016 -10.320 -10.968
  930    HA   GLU 479           HA       GLU 479  -0.102  -8.397 -10.814
  931    HB2  GLU 479           HB2      GLU 479   0.128 -11.245  -9.844
  932    HB3  GLU 479           HB1      GLU 479  -1.329 -10.278  -9.658
  933    HG2  GLU 479           HG2      GLU 479  -1.444 -10.008 -12.088
  934    HG3  GLU 479           HG1      GLU 479  -0.009 -11.016 -12.257
  935    H    ALA 480           H        ALA 480   2.171  -9.815  -8.541
  936    HA   ALA 480           HA       ALA 480   0.969  -8.740  -6.201
  937    HB1  ALA 480           HB1      ALA 480   3.843  -9.531  -6.650
  938    HB2  ALA 480           HB2      ALA 480   2.548 -10.617  -6.141
  939    HB3  ALA 480           HB3      ALA 480   3.052  -9.292  -5.091
  940    H    TYR 481           H        TYR 481   3.578  -7.646  -8.336
  941    HA   TYR 481           HA       TYR 481   4.119  -5.233  -6.992
  942    HB2  TYR 481           HB2      TYR 481   5.654  -6.107  -8.656
  943    HB3  TYR 481           HB1      TYR 481   4.426  -5.974  -9.910
  944    HD1  TYR 481           HD1      TYR 481   6.113  -3.777  -7.388
  945    HD2  TYR 481           HD2      TYR 481   4.576  -4.174 -11.333
  946    HE1  TYR 481           HE1      TYR 481   6.902  -1.508  -7.917
  947    HE2  TYR 481           HE2      TYR 481   5.362  -1.910 -11.875
  948    HH   TYR 481           HH       TYR 481   5.963   0.143 -10.765
  949    H    GLU 482           H        GLU 482   1.826  -6.065  -9.549
  950    HA   GLU 482           HA       GLU 482   0.832  -3.458  -9.930
  951    HB2  GLU 482           HB2      GLU 482   0.477  -5.476 -11.435
  952    HB3  GLU 482           HB1      GLU 482  -0.762  -5.992 -10.296
  953    HG2  GLU 482           HG2      GLU 482  -2.031  -3.989 -10.698
  954    HG3  GLU 482           HG1      GLU 482  -0.758  -3.355 -11.739
  955    H    ASN 483           H        ASN 483  -0.091  -6.078  -7.727
  956    HA   ASN 483           HA       ASN 483  -2.317  -4.958  -6.522
  957    HB2  ASN 483           HB2      ASN 483  -1.695  -7.190  -5.944
  958    HB3  ASN 483           HB1      ASN 483  -0.103  -6.671  -5.390
  959   HD21  ASN 483          1HD2      ASN 483  -3.448  -6.919  -4.632
  960   HD22  ASN 483          2HD2      ASN 483  -3.317  -6.443  -2.975
  961    H    PHE 484           H        PHE 484   1.099  -4.570  -5.658
  962    HA   PHE 484           HA       PHE 484   0.847  -2.805  -3.546
  963    HB2  PHE 484           HB2      PHE 484   2.983  -3.770  -4.148
  964    HB3  PHE 484           HB1      PHE 484   2.960  -2.954  -5.706
  965    HD1  PHE 484           HD1      PHE 484   3.067  -2.316  -2.054
  966    HD2  PHE 484           HD2      PHE 484   3.928  -0.866  -5.964
  967    HE1  PHE 484           HE1      PHE 484   4.290  -0.420  -1.073
  968    HE2  PHE 484           HE2      PHE 484   5.154   1.031  -4.988
  969    HZ   PHE 484           HZ       PHE 484   5.336   1.258  -2.543
  970    H    LEU 485           H        LEU 485   0.958  -2.145  -7.012
  971    HA   LEU 485           HA       LEU 485   0.726   0.674  -6.752
  972    HB2  LEU 485           HB2      LEU 485   0.059  -1.096  -9.101
  973    HB3  LEU 485           HB1      LEU 485   0.277   0.643  -9.156
  974    HG   LEU 485           HG       LEU 485   2.417  -1.377  -8.471
  975   HD11  LEU 485          1HD1      LEU 485   1.821  -1.405 -10.827
  976   HD12  LEU 485          2HD1      LEU 485   3.416  -0.693 -10.587
  977   HD13  LEU 485          3HD1      LEU 485   2.026   0.344 -10.912
  978   HD21  LEU 485          3HD2      LEU 485   3.940   0.533  -8.536
  979   HD22  LEU 485          1HD2      LEU 485   2.731   0.710  -7.263
  980   HD23  LEU 485          2HD2      LEU 485   2.570   1.619  -8.766
  981    H    ARG 486           H        ARG 486  -1.629  -1.929  -6.929
  982    HA   ARG 486           HA       ARG 486  -3.957  -0.378  -7.368
  983    HB2  ARG 486           HB2      ARG 486  -3.763  -2.831  -5.606
  984    HB3  ARG 486           HB1      ARG 486  -5.203  -2.208  -6.392
  985    HG2  ARG 486           HG2      ARG 486  -2.814  -3.260  -7.869
  986    HG3  ARG 486           HG1      ARG 486  -4.215  -4.236  -7.431
  987    HD2  ARG 486           HD2      ARG 486  -5.629  -2.598  -8.697
  988    HD3  ARG 486           HD1      ARG 486  -4.134  -1.856  -9.272
  989    HE   ARG 486           HE       ARG 486  -3.906  -3.580 -10.750
  990   HH11  ARG 486          1HH1      ARG 486  -6.129  -4.551  -8.220
  991   HH12  ARG 486          2HH1      ARG 486  -6.465  -6.095  -8.938
  992   HH21  ARG 486          1HH2      ARG 486  -4.337  -5.620 -11.693
  993   HH22  ARG 486          2HH2      ARG 486  -5.456  -6.710 -10.908
  994    H    CYS 487           H        CYS 487  -2.396  -1.511  -4.398
  995    HA   CYS 487           HA       CYS 487  -3.998  -0.189  -2.555
  996    HB2  CYS 487           HB2      CYS 487  -1.030  -0.737  -2.334
  997    HB3  CYS 487           HB1      CYS 487  -2.147  -0.474  -0.997
  998    HG   CYS 487           HG       CYS 487  -1.702  -3.233  -2.907
  999    H    LEU 488           H        LEU 488  -1.269   0.948  -4.460
 1000    HA   LEU 488           HA       LEU 488  -0.926   3.403  -3.131
 1001    HB2  LEU 488           HB2      LEU 488  -0.285   2.590  -5.955
 1002    HB3  LEU 488           HB1      LEU 488   0.193   4.112  -5.245
 1003    HG   LEU 488           HG       LEU 488   1.162   1.359  -4.530
 1004   HD11  LEU 488          1HD1      LEU 488   2.590   3.877  -5.380
 1005   HD12  LEU 488          2HD1      LEU 488   2.239   2.493  -6.420
 1006   HD13  LEU 488          3HD1      LEU 488   3.337   2.313  -5.049
 1007   HD21  LEU 488          3HD2      LEU 488   1.590   3.943  -3.045
 1008   HD22  LEU 488          1HD2      LEU 488   2.473   2.444  -2.754
 1009   HD23  LEU 488          2HD2      LEU 488   0.737   2.517  -2.451
 1010    H    VAL 489           H        VAL 489  -2.688   2.641  -6.180
 1011    HA   VAL 489           HA       VAL 489  -3.495   5.281  -6.642
 1012    HB   VAL 489           HB       VAL 489  -5.350   4.349  -8.043
 1013   HG11  VAL 489          1HG1      VAL 489  -3.152   4.842  -8.963
 1014   HG12  VAL 489          2HG1      VAL 489  -3.860   3.428  -9.744
 1015   HG13  VAL 489          3HG1      VAL 489  -2.595   3.227  -8.529
 1016   HG21  VAL 489          3HG2      VAL 489  -5.308   1.920  -8.508
 1017   HG22  VAL 489          1HG2      VAL 489  -5.831   2.310  -6.868
 1018   HG23  VAL 489          2HG2      VAL 489  -4.194   1.712  -7.154
 1019    H    ILE 490           H        ILE 490  -5.172   2.703  -4.823
 1020    HA   ILE 490           HA       ILE 490  -7.437   4.376  -4.353
 1021    HB   ILE 490           HB       ILE 490  -8.135   2.757  -2.640
 1022   HG12  ILE 490          2HG1      ILE 490  -5.546   1.355  -3.333
 1023   HG13  ILE 490          1HG1      ILE 490  -5.979   2.044  -1.768
 1024   HG21  ILE 490          1HG2      ILE 490  -8.462   0.869  -4.185
 1025   HG22  ILE 490          2HG2      ILE 490  -7.268   1.577  -5.274
 1026   HG23  ILE 490          3HG2      ILE 490  -8.776   2.430  -4.943
 1027   HD11  ILE 490          3HD1      ILE 490  -7.255  -0.318  -3.131
 1028   HD12  ILE 490          1HD1      ILE 490  -7.866   0.427  -1.647
 1029   HD13  ILE 490          2HD1      ILE 490  -6.267  -0.325  -1.669
 1030    H    PHE 491           H        PHE 491  -4.405   3.864  -2.644
 1031    HA   PHE 491           HA       PHE 491  -5.133   5.379  -0.342
 1032    HB2  PHE 491           HB2      PHE 491  -3.223   3.913  -0.204
 1033    HB3  PHE 491           HB1      PHE 491  -2.427   4.744  -1.537
 1034    HD1  PHE 491           HD1      PHE 491  -3.606   5.185   1.952
 1035    HD2  PHE 491           HD2      PHE 491  -1.042   6.582  -1.145
 1036    HE1  PHE 491           HE1      PHE 491  -2.492   6.687   3.553
 1037    HE2  PHE 491           HE2      PHE 491   0.073   8.083   0.448
 1038    HZ   PHE 491           HZ       PHE 491  -0.651   8.141   2.798
 1039    H    ASN 492           H        ASN 492  -3.705   6.181  -3.457
 1040    HA   ASN 492           HA       ASN 492  -3.113   8.891  -2.905
 1041    HB2  ASN 492           HB2      ASN 492  -3.749   7.529  -5.535
 1042    HB3  ASN 492           HB1      ASN 492  -3.158   9.181  -5.398
 1043   HD21  ASN 492          1HD2      ASN 492  -1.939   6.952  -6.759
 1044   HD22  ASN 492          2HD2      ASN 492  -0.394   6.704  -6.018
 1045    H    GLN 493           H        GLN 493  -6.002   7.226  -3.860
 1046    HA   GLN 493           HA       GLN 493  -7.544   9.654  -4.202
 1047    HB2  GLN 493           HB2      GLN 493  -8.357   6.744  -4.106
 1048    HB3  GLN 493           HB1      GLN 493  -9.450   8.075  -4.457
 1049    HG2  GLN 493           HG2      GLN 493  -8.245   8.582  -6.478
 1050    HG3  GLN 493           HG1      GLN 493  -7.032   7.364  -6.098
 1051   HE21  GLN 493          1HE2      GLN 493  -7.501   5.215  -6.405
 1052   HE22  GLN 493          2HE2      GLN 493  -8.893   4.676  -7.278
 1053    H    GLU 494           H        GLU 494  -6.269   8.200  -1.621
 1054    HA   GLU 494           HA       GLU 494  -6.655   8.045   0.589
 1055    HB2  GLU 494           HB2      GLU 494  -8.534  10.335   0.007
 1056    HB3  GLU 494           HB1      GLU 494  -8.019   9.848   1.618
 1057    HG2  GLU 494           HG2      GLU 494  -5.644  10.212   0.808
 1058    HG3  GLU 494           HG1      GLU 494  -6.352  11.004  -0.596
 1059    H    VAL 495           H        VAL 495  -8.115   6.311  -1.073
 1060    HA   VAL 495           HA       VAL 495 -10.728   5.929   0.076
 1061    HB   VAL 495           HB       VAL 495  -9.012   4.073  -1.594
 1062   HG11  VAL 495          1HG1      VAL 495 -11.079   2.792  -1.947
 1063   HG12  VAL 495          2HG1      VAL 495 -11.903   3.824  -0.777
 1064   HG13  VAL 495          3HG1      VAL 495 -10.570   2.791  -0.259
 1065   HG21  VAL 495          3HG2      VAL 495 -11.383   5.774  -2.364
 1066   HG22  VAL 495          1HG2      VAL 495 -10.514   4.665  -3.427
 1067   HG23  VAL 495          2HG2      VAL 495  -9.701   6.092  -2.784
 1068    H    ILE 496           H        ILE 496  -7.542   4.396   0.350
 1069    HA   ILE 496           HA       ILE 496  -8.450   3.115   2.828
 1070    HB   ILE 496           HB       ILE 496  -6.386   1.767   2.716
 1071   HG12  ILE 496          2HG1      ILE 496  -5.993   3.057   0.007
 1072   HG13  ILE 496          1HG1      ILE 496  -5.026   3.403   1.437
 1073   HG21  ILE 496          1HG2      ILE 496  -8.073   1.652   0.220
 1074   HG22  ILE 496          2HG2      ILE 496  -8.450   0.898   1.770
 1075   HG23  ILE 496          3HG2      ILE 496  -7.057   0.349   0.838
 1076   HD11  ILE 496          3HD1      ILE 496  -4.246   1.096   1.474
 1077   HD12  ILE 496          1HD1      ILE 496  -3.888   1.874  -0.068
 1078   HD13  ILE 496          2HD1      ILE 496  -5.233   0.739   0.055
 1079    H    SER 497           H        SER 497  -7.448   3.522   4.748
 1080    HA   SER 497           HA       SER 497  -6.117   6.066   4.928
 1081    HB2  SER 497           HB2      SER 497  -6.731   4.110   7.147
 1082    HB3  SER 497           HB1      SER 497  -6.459   5.848   7.291
 1083    HG   SER 497           HG       SER 497  -8.641   5.598   7.311
 1084    H    ARG 498           H        ARG 498  -4.280   6.025   6.790
 1085    HA   ARG 498           HA       ARG 498  -2.020   4.944   5.530
 1086    HB2  ARG 498           HB2      ARG 498  -1.972   6.894   7.059
 1087    HB3  ARG 498           HB1      ARG 498  -2.279   5.817   8.414
 1088    HG2  ARG 498           HG2      ARG 498  -0.151   4.630   7.886
 1089    HG3  ARG 498           HG1      ARG 498   0.157   5.851   6.642
 1090    HD2  ARG 498           HD2      ARG 498  -0.128   6.317   9.607
 1091    HD3  ARG 498           HD1      ARG 498   1.343   6.454   8.647
 1092    HE   ARG 498           HE       ARG 498  -0.349   8.227   7.478
 1093   HH11  ARG 498          1HH1      ARG 498   0.625   7.730  10.801
 1094   HH12  ARG 498          2HH1      ARG 498   0.578   9.422  11.201
 1095   HH21  ARG 498          1HH2      ARG 498  -0.467  10.444   8.011
 1096   HH22  ARG 498          2HH2      ARG 498  -0.068  10.965   9.626
 1097    H    ALA 499           H        ALA 499  -3.482   3.988   8.645
 1098    HA   ALA 499           HA       ALA 499  -1.954   1.709   9.092
 1099    HB1  ALA 499           HB1      ALA 499  -4.835   2.144   9.872
 1100    HB2  ALA 499           HB2      ALA 499  -3.433   2.735  10.765
 1101    HB3  ALA 499           HB3      ALA 499  -3.714   1.000  10.608
 1102    H    GLU 500           H        GLU 500  -4.913   2.108   7.229
 1103    HA   GLU 500           HA       GLU 500  -5.448  -0.579   6.675
 1104    HB2  GLU 500           HB2      GLU 500  -5.979   1.770   4.851
 1105    HB3  GLU 500           HB1      GLU 500  -6.832   0.233   4.876
 1106    HG2  GLU 500           HG2      GLU 500  -6.847   2.309   7.053
 1107    HG3  GLU 500           HG1      GLU 500  -8.150   1.975   5.914
 1108    H    LEU 501           H        LEU 501  -3.634   1.838   4.797
 1109    HA   LEU 501           HA       LEU 501  -2.876   0.183   2.672
 1110    HB2  LEU 501           HB2      LEU 501  -2.642   2.580   2.549
 1111    HB3  LEU 501           HB1      LEU 501  -1.513   2.584   3.889
 1112    HG   LEU 501           HG       LEU 501   0.109   1.338   2.480
 1113   HD11  LEU 501          1HD1      LEU 501  -1.883   1.851   0.279
 1114   HD12  LEU 501          2HD1      LEU 501  -1.476   0.277   0.960
 1115   HD13  LEU 501          3HD1      LEU 501  -0.257   1.197   0.078
 1116   HD21  LEU 501          3HD2      LEU 501   0.259   3.751   2.685
 1117   HD22  LEU 501          1HD2      LEU 501  -0.882   3.952   1.356
 1118   HD23  LEU 501          2HD2      LEU 501   0.704   3.242   1.056
 1119    H    VAL 502           H        VAL 502  -1.249   0.886   5.729
 1120    HA   VAL 502           HA       VAL 502   1.128  -0.515   5.231
 1121    HB   VAL 502           HB       VAL 502  -0.223   0.018   7.882
 1122   HG11  VAL 502          1HG1      VAL 502   2.641  -0.652   7.254
 1123   HG12  VAL 502          2HG1      VAL 502   1.496  -1.658   8.142
 1124   HG13  VAL 502          3HG1      VAL 502   2.041  -0.123   8.824
 1125   HG21  VAL 502          3HG2      VAL 502   1.826   1.623   6.362
 1126   HG22  VAL 502          1HG2      VAL 502   1.252   1.974   7.993
 1127   HG23  VAL 502          2HG2      VAL 502   0.138   2.063   6.628
 1128    H    GLN 503           H        GLN 503  -1.939  -1.566   6.649
 1129    HA   GLN 503           HA       GLN 503  -0.950  -4.230   7.166
 1130    HB2  GLN 503           HB2      GLN 503  -3.685  -2.983   7.409
 1131    HB3  GLN 503           HB1      GLN 503  -3.348  -4.661   7.812
 1132    HG2  GLN 503           HG2      GLN 503  -1.846  -4.003   9.557
 1133    HG3  GLN 503           HG1      GLN 503  -1.969  -2.310   9.084
 1134   HE21  GLN 503          1HE2      GLN 503  -4.731  -4.427   9.106
 1135   HE22  GLN 503          2HE2      GLN 503  -5.519  -3.701  10.460
 1136    H    LEU 504           H        LEU 504  -2.508  -2.596   4.574
 1137    HA   LEU 504           HA       LEU 504  -3.832  -4.788   3.371
 1138    HB2  LEU 504           HB2      LEU 504  -3.938  -2.185   2.916
 1139    HB3  LEU 504           HB1      LEU 504  -2.696  -2.564   1.736
 1140    HG   LEU 504           HG       LEU 504  -4.190  -4.087   0.588
 1141   HD11  LEU 504          1HD1      LEU 504  -5.488  -4.971   2.362
 1142   HD12  LEU 504          2HD1      LEU 504  -6.597  -4.112   1.292
 1143   HD13  LEU 504          3HD1      LEU 504  -6.087  -3.375   2.809
 1144   HD21  LEU 504          3HD2      LEU 504  -5.474  -1.417   1.149
 1145   HD22  LEU 504          1HD2      LEU 504  -5.811  -2.455  -0.236
 1146   HD23  LEU 504          2HD2      LEU 504  -4.215  -1.728  -0.047
 1147    H    VAL 505           H        VAL 505  -0.695  -3.279   2.795
 1148    HA   VAL 505           HA       VAL 505   0.003  -5.268   0.809
 1149    HB   VAL 505           HB       VAL 505   0.559  -2.813   0.619
 1150   HG11  VAL 505          1HG1      VAL 505   2.629  -3.489   2.700
 1151   HG12  VAL 505          2HG1      VAL 505   1.260  -2.393   2.896
 1152   HG13  VAL 505          3HG1      VAL 505   2.558  -1.992   1.770
 1153   HG21  VAL 505          3HG2      VAL 505   1.634  -4.427  -0.821
 1154   HG22  VAL 505          1HG2      VAL 505   2.845  -4.766   0.417
 1155   HG23  VAL 505          2HG2      VAL 505   2.788  -3.179  -0.351
 1156    H    SER 506           H        SER 506  -0.263  -5.686   3.883
 1157    HA   SER 506           HA       SER 506   2.235  -6.180   5.003
 1158    HB2  SER 506           HB2      SER 506   0.128  -6.052   6.284
 1159    HB3  SER 506           HB1      SER 506  -0.343  -7.623   5.638
 1160    HG   SER 506           HG       SER 506   1.999  -8.061   6.587
 1161    HA   PRO 507           HA       PRO 507   1.823 -10.843   3.422
 1162    HB2  PRO 507           HB2      PRO 507   0.598 -10.888   0.929
 1163    HB3  PRO 507           HB1      PRO 507  -0.128 -11.448   2.434
 1164    HG2  PRO 507           HG2      PRO 507  -0.476  -8.858   1.004
 1165    HG3  PRO 507           HG1      PRO 507  -1.666  -9.810   1.907
 1166    HD2  PRO 507           HD2      PRO 507  -0.566  -7.586   2.929
 1167    HD3  PRO 507           HD1      PRO 507  -0.959  -8.984   3.950
 1168    H    PHE 508           H        PHE 508   2.273  -7.917   1.669
 1169    HA   PHE 508           HA       PHE 508   4.365  -9.141   0.017
 1170    HB2  PHE 508           HB2      PHE 508   3.169  -6.374  -0.254
 1171    HB3  PHE 508           HB1      PHE 508   4.172  -7.224  -1.418
 1172    HD1  PHE 508           HD2      PHE 508   0.827  -7.037   0.090
 1173    HD2  PHE 508           HD1      PHE 508   3.247  -8.864  -2.898
 1174    HE1  PHE 508           HE2      PHE 508  -1.187  -7.941  -0.985
 1175    HE2  PHE 508           HE1      PHE 508   1.230  -9.768  -3.978
 1176    HZ   PHE 508           HZ       PHE 508  -0.990  -9.308  -3.021
 1177    H    LEU 509           H        LEU 509   6.459  -8.229   0.062
 1178    HA   LEU 509           HA       LEU 509   8.278  -7.132   0.866
 1179    HB2  LEU 509           HB2      LEU 509   6.307  -5.288   2.210
 1180    HB3  LEU 509           HB1      LEU 509   8.015  -4.977   1.971
 1181    HG   LEU 509           HG       LEU 509   5.951  -5.226  -0.221
 1182   HD11  LEU 509          1HD1      LEU 509   6.310  -2.827  -0.519
 1183   HD12  LEU 509          2HD1      LEU 509   7.390  -2.814   0.875
 1184   HD13  LEU 509          3HD1      LEU 509   5.680  -3.191   1.087
 1185   HD21  LEU 509          3HD2      LEU 509   8.869  -4.482  -0.353
 1186   HD22  LEU 509          1HD2      LEU 509   7.731  -4.465  -1.701
 1187   HD23  LEU 509          2HD2      LEU 509   8.160  -5.991  -0.927
 1188    H    GLY 510           H        GLY 510   5.892  -8.381   3.006
 1189    HA2  GLY 510           HA2      GLY 510   7.099  -7.847   5.498
 1190    HA3  GLY 510           HA1      GLY 510   5.943  -9.126   5.171
 1191    H    LYS 511           H        LYS 511   8.020 -10.023   3.043
 1192    HA   LYS 511           HA       LYS 511   9.455 -11.801   4.820
 1193    HB2  LYS 511           HB2      LYS 511   9.616 -11.599   1.806
 1194    HB3  LYS 511           HB1      LYS 511  10.222 -12.915   2.799
 1195    HG2  LYS 511           HG2      LYS 511   8.267 -13.799   1.999
 1196    HG3  LYS 511           HG1      LYS 511   7.735 -13.135   3.540
 1197    HD2  LYS 511           HD2      LYS 511   6.841 -11.184   2.449
 1198    HD3  LYS 511           HD1      LYS 511   7.506 -11.698   0.898
 1199    HE2  LYS 511           HE2      LYS 511   5.180 -12.209   0.894
 1200    HE3  LYS 511           HE1      LYS 511   6.061 -13.728   1.039
 1201    HZ1  LYS 511           HZ1      LYS 511   4.745 -12.252   3.261
 1202    HZ2  LYS 511           HZ2      LYS 511   5.619 -13.700   3.429
 1203    HZ3  LYS 511           HZ3      LYS 511   4.180 -13.677   2.533
 1204    H    PHE 512           H        PHE 512   9.907  -8.753   3.589
 1205    HA   PHE 512           HA       PHE 512  12.844  -8.965   3.702
 1206    HB2  PHE 512           HB2      PHE 512  11.264  -7.082   1.930
 1207    HB3  PHE 512           HB1      PHE 512  13.010  -7.301   1.946
 1208    HD1  PHE 512           HD2      PHE 512  14.016  -9.306   0.981
 1209    HD2  PHE 512           HD1      PHE 512   9.816  -8.635   0.819
 1210    HE1  PHE 512           HE2      PHE 512  13.804 -11.047  -0.742
 1211    HE2  PHE 512           HE1      PHE 512   9.596 -10.375  -0.903
 1212    HZ   PHE 512           HZ       PHE 512  11.594 -11.586  -1.685
 1213    HA   PRO 513           HA       PRO 513  11.530  -6.461   7.279
 1214    HB2  PRO 513           HB2      PRO 513  14.484  -6.545   7.646
 1215    HB3  PRO 513           HB1      PRO 513  13.195  -6.844   8.817
 1216    HG2  PRO 513           HG2      PRO 513  14.572  -8.864   7.762
 1217    HG3  PRO 513           HG1      PRO 513  12.830  -9.006   8.060
 1218    HD2  PRO 513           HD2      PRO 513  14.290  -8.610   5.496
 1219    HD3  PRO 513           HD1      PRO 513  12.799  -9.514   5.819
 1220    H    GLU 514           H        GLU 514  14.580  -5.669   5.579
 1221    HA   GLU 514           HA       GLU 514  14.694  -2.989   6.345
 1222    HB2  GLU 514           HB2      GLU 514  16.270  -2.694   4.477
 1223    HB3  GLU 514           HB1      GLU 514  16.607  -4.159   5.390
 1224    HG2  GLU 514           HG2      GLU 514  15.643  -5.526   3.698
 1225    HG3  GLU 514           HG1      GLU 514  15.029  -4.119   2.832
 1226    H    LEU 515           H        LEU 515  13.006  -4.486   3.662
 1227    HA   LEU 515           HA       LEU 515  12.626  -2.010   2.257
 1228    HB2  LEU 515           HB2      LEU 515  12.904  -4.351   1.261
 1229    HB3  LEU 515           HB1      LEU 515  11.234  -4.624   1.721
 1230    HG   LEU 515           HG       LEU 515  10.513  -2.805   0.263
 1231   HD11  LEU 515          1HD1      LEU 515  12.106  -1.720  -1.245
 1232   HD12  LEU 515          2HD1      LEU 515  13.436  -2.564  -0.449
 1233   HD13  LEU 515          3HD1      LEU 515  12.482  -1.378   0.444
 1234   HD21  LEU 515          3HD2      LEU 515  10.681  -5.070  -0.644
 1235   HD22  LEU 515          1HD2      LEU 515  12.351  -4.756  -1.121
 1236   HD23  LEU 515          2HD2      LEU 515  11.033  -3.858  -1.875
 1237    H    PHE 516           H        PHE 516  10.607  -4.237   4.139
 1238    HA   PHE 516           HA       PHE 516   8.223  -2.708   3.807
 1239    HB2  PHE 516           HB2      PHE 516   8.540  -5.210   4.532
 1240    HB3  PHE 516           HB1      PHE 516   8.675  -4.533   6.149
 1241    HD1  PHE 516           HD2      PHE 516   6.554  -2.454   4.309
 1242    HD2  PHE 516           HD1      PHE 516   6.651  -6.236   6.254
 1243    HE1  PHE 516           HE2      PHE 516   4.102  -2.422   4.487
 1244    HE2  PHE 516           HE1      PHE 516   4.199  -6.216   6.428
 1245    HZ   PHE 516           HZ       PHE 516   2.919  -4.305   5.546
 1246    H    ASN 517           H        ASN 517  10.906  -2.662   6.044
 1247    HA   ASN 517           HA       ASN 517   9.770  -0.897   7.959
 1248    HB2  ASN 517           HB2      ASN 517  11.935  -2.264   8.193
 1249    HB3  ASN 517           HB1      ASN 517  12.705  -1.008   7.230
 1250   HD21  ASN 517          1HD2      ASN 517  13.371  -1.746   9.886
 1251   HD22  ASN 517          2HD2      ASN 517  13.095  -0.368  10.898
 1252    H    TRP 518           H        TRP 518  11.687  -0.426   5.012
 1253    HA   TRP 518           HA       TRP 518  11.997   2.329   5.019
 1254    HB2  TRP 518           HB2      TRP 518  12.941   0.688   3.344
 1255    HB3  TRP 518           HB1      TRP 518  11.356   0.636   2.588
 1256    HD1  TRP 518           HD1      TRP 518  14.578   2.431   2.463
 1257    HE1  TRP 518           HE1      TRP 518  14.444   4.453   0.867
 1258    HE3  TRP 518           HE3      TRP 518   9.506   2.669   1.858
 1259    HZ2  TRP 518           HZ2      TRP 518  12.464   5.953  -0.441
 1260    HZ3  TRP 518           HZ3      TRP 518   8.575   4.429   0.417
 1261    HH2  TRP 518           HH2      TRP 518  10.025   6.037  -0.709
 1262    H    PHE 519           H        PHE 519   9.332   0.377   3.731
 1263    HA   PHE 519           HA       PHE 519   7.699   2.402   2.804
 1264    HB2  PHE 519           HB2      PHE 519   7.312   0.036   2.342
 1265    HB3  PHE 519           HB1      PHE 519   6.925  -0.248   4.034
 1266    HD1  PHE 519           HD1      PHE 519   5.857   2.187   1.408
 1267    HD2  PHE 519           HD2      PHE 519   4.715  -0.581   4.428
 1268    HE1  PHE 519           HE1      PHE 519   3.497   2.650   0.939
 1269    HE2  PHE 519           HE2      PHE 519   2.352  -0.119   3.966
 1270    HZ   PHE 519           HZ       PHE 519   1.734   1.501   2.216
 1271    H    LYS 520           H        LYS 520   7.621   0.843   6.031
 1272    HA   LYS 520           HA       LYS 520   5.596   2.451   7.116
 1273    HB2  LYS 520           HB2      LYS 520   7.937   1.232   8.586
 1274    HB3  LYS 520           HB1      LYS 520   6.429   1.771   9.306
 1275    HG2  LYS 520           HG2      LYS 520   5.252   0.051   7.932
 1276    HG3  LYS 520           HG1      LYS 520   6.838  -0.550   7.442
 1277    HD2  LYS 520           HD2      LYS 520   7.403  -0.861   9.840
 1278    HD3  LYS 520           HD1      LYS 520   5.752  -0.399  10.252
 1279    HE2  LYS 520           HE2      LYS 520   5.935  -2.794  10.256
 1280    HE3  LYS 520           HE1      LYS 520   4.926  -2.294   8.899
 1281    HZ1  LYS 520           HZ1      LYS 520   6.760  -2.635   7.415
 1282    HZ2  LYS 520           HZ2      LYS 520   6.556  -4.046   8.337
 1283    HZ3  LYS 520           HZ3      LYS 520   7.813  -2.968   8.700
 1284    H    ASN 521           H        ASN 521   9.074   2.920   6.943
 1285    HA   ASN 521           HA       ASN 521   9.189   5.134   8.716
 1286    HB2  ASN 521           HB2      ASN 521  11.117   3.659   8.200
 1287    HB3  ASN 521           HB1      ASN 521  11.163   4.320   6.570
 1288   HD21  ASN 521          1HD2      ASN 521  11.735   4.937   9.934
 1289   HD22  ASN 521          2HD2      ASN 521  12.669   6.382   9.723
 1290    H    PHE 522           H        PHE 522   8.662   4.836   5.265
 1291    HA   PHE 522           HA       PHE 522   9.097   7.670   4.784
 1292    HB2  PHE 522           HB2      PHE 522   9.688   6.011   3.059
 1293    HB3  PHE 522           HB1      PHE 522   8.014   5.483   2.982
 1294    HD1  PHE 522           HD2      PHE 522   9.913   8.695   2.735
 1295    HD2  PHE 522           HD1      PHE 522   6.815   6.224   1.175
 1296    HE1  PHE 522           HE2      PHE 522   9.478  10.354   0.972
 1297    HE2  PHE 522           HE1      PHE 522   6.377   7.879  -0.586
 1298    HZ   PHE 522           HZ       PHE 522   7.707   9.947  -0.692
 1299    H    LEU 523           H        LEU 523   6.558   5.432   5.364
 1300    HA   LEU 523           HA       LEU 523   4.409   7.178   4.588
 1301    HB2  LEU 523           HB2      LEU 523   4.532   4.634   4.459
 1302    HB3  LEU 523           HB1      LEU 523   4.259   4.640   6.187
 1303    HG   LEU 523           HG       LEU 523   2.074   5.648   5.881
 1304   HD11  LEU 523          1HD1      LEU 523   2.582   7.019   3.909
 1305   HD12  LEU 523          2HD1      LEU 523   1.155   6.011   3.657
 1306   HD13  LEU 523          3HD1      LEU 523   2.698   5.553   2.932
 1307   HD21  LEU 523          3HD2      LEU 523   2.572   3.329   4.034
 1308   HD22  LEU 523          1HD2      LEU 523   1.013   3.786   4.723
 1309   HD23  LEU 523          2HD2      LEU 523   2.317   3.228   5.775
 1310    H    GLY 524           H        GLY 524   6.362   6.848   7.318
 1311    HA2  GLY 524           HA2      GLY 524   6.311   7.847   9.384
 1312    HA3  GLY 524           HA1      GLY 524   5.076   8.909   8.727
 1313    H    TYR 525           H        TYR 525   4.937   5.409   9.100
 1314    HA   TYR 525           HA       TYR 525   2.344   5.555  10.289
 1315    HB2  TYR 525           HB2      TYR 525   3.064   3.708   8.801
 1316    HB3  TYR 525           HB1      TYR 525   4.217   3.192  10.024
 1317    HD1  TYR 525           HD2      TYR 525   0.564   3.921   9.708
 1318    HD2  TYR 525           HD1      TYR 525   3.592   1.475  11.422
 1319    HE1  TYR 525           HE2      TYR 525  -1.166   2.506  10.732
 1320    HE2  TYR 525           HE1      TYR 525   1.870   0.052  12.449
 1321    HH   TYR 525           HH       TYR 525  -0.488   0.221  13.137
 1322    H    LYS 526           H        LYS 526   2.038   6.166  12.330
 1323    HA   LYS 526           HA       LYS 526   3.942   5.204  14.364
 1324    HB2  LYS 526           HB2      LYS 526   2.566   7.897  14.299
 1325    HB3  LYS 526           HB1      LYS 526   3.567   7.302  15.614
 1326    HG2  LYS 526           HG2      LYS 526   5.178   7.033  13.380
 1327    HG3  LYS 526           HG1      LYS 526   4.332   8.562  13.127
 1328    HD2  LYS 526           HD2      LYS 526   6.392   8.964  14.330
 1329    HD3  LYS 526           HD1      LYS 526   5.017   9.276  15.393
 1330    HE2  LYS 526           HE2      LYS 526   5.295   7.053  16.390
 1331    HE3  LYS 526           HE1      LYS 526   6.675   6.758  15.336
 1332    HZ1  LYS 526           HZ1      LYS 526   7.439   7.430  17.486
 1333    HZ2  LYS 526           HZ2      LYS 526   6.479   8.824  17.456
 1334    HZ3  LYS 526           HZ3      LYS 526   7.782   8.674  16.385
 1335    H    GLU 527           H        GLU 527   1.038   4.660  13.251
 1336    HA   GLU 527           HA       GLU 527  -0.509   4.832  15.688
 1337    HB2  GLU 527           HB2      GLU 527  -1.199   3.522  13.049
 1338    HB3  GLU 527           HB1      GLU 527  -2.312   3.793  14.380
 1339    HG2  GLU 527           HG2      GLU 527  -2.838   5.545  13.022
 1340    HG3  GLU 527           HG1      GLU 527  -1.624   6.293  14.057
 1341    H    SER 528           H        SER 528   1.957   3.038  15.240
 1342    HA   SER 528           HA       SER 528   1.068   0.354  15.426
 1343    HB2  SER 528           HB2      SER 528   3.692   1.449  16.455
 1344    HB3  SER 528           HB1      SER 528   3.354  -0.178  15.858
 1345    HG   SER 528           HG       SER 528   4.455   1.316  14.372
  Start of MODEL   16
    1    H1   SER 127           HT1      SER 127  -0.004 -30.807   5.952
    2    H2   SER 127           HT2      SER 127   1.349 -30.087   6.665
    3    H3   SER 127           HT3      SER 127  -0.184 -29.386   6.857
    4    HA   SER 127           HA       SER 127  -0.945 -31.278   8.103
    5    HB2  SER 127           HB2      SER 127   1.909 -32.264   7.844
    6    HB3  SER 127           HB1      SER 127   0.612 -33.048   8.746
    7    HG   SER 127           HG       SER 127  -0.233 -33.785   6.941
    8    H    ASN 128           H        ASN 128   1.075 -28.725   8.175
    9    HA   ASN 128           HA       ASN 128   0.902 -28.580  11.064
   10    HB2  ASN 128           HB2      ASN 128   3.277 -27.944  11.354
   11    HB3  ASN 128           HB1      ASN 128   3.097 -29.603  10.802
   12   HD21  ASN 128          1HD2      ASN 128   5.115 -29.760   9.942
   13   HD22  ASN 128          2HD2      ASN 128   5.618 -28.892   8.526
   14    H    ALA 129           H        ALA 129   2.177 -26.284  11.612
   15    HA   ALA 129           HA       ALA 129   0.750 -24.370   9.897
   16    HB1  ALA 129           HB1      ALA 129   0.914 -22.819  11.772
   17    HB2  ALA 129           HB2      ALA 129   1.864 -23.996  12.676
   18    HB3  ALA 129           HB3      ALA 129   0.180 -24.340  12.282
   19    H    GLY 130           H        GLY 130   3.891 -25.004  11.389
   20    HA2  GLY 130           HA2      GLY 130   5.125 -23.335   9.315
   21    HA3  GLY 130           HA1      GLY 130   5.493 -22.986  10.997
   22    H    SER 131           H        SER 131   7.074 -24.023   8.617
   23    HA   SER 131           HA       SER 131   7.977 -26.609   9.609
   24    HB2  SER 131           HB2      SER 131   8.979 -24.983   7.258
   25    HB3  SER 131           HB1      SER 131   9.351 -26.673   7.599
   26    HG   SER 131           HG       SER 131   7.153 -27.167   7.290
   27    H    ASP 132           H        ASP 132   8.505 -23.474  10.357
   28    HA   ASP 132           HA       ASP 132  11.368 -23.604  10.760
   29    HB2  ASP 132           HB2      ASP 132   9.314 -21.505  11.479
   30    HB3  ASP 132           HB1      ASP 132  11.030 -21.357  11.838
   31    H    ASP 133           H        ASP 133  11.604 -25.316  12.187
   32    HA   ASP 133           HA       ASP 133  10.126 -25.390  14.660
   33    HB2  ASP 133           HB2      ASP 133  10.682 -27.495  13.630
   34    HB3  ASP 133           HB1      ASP 133  12.395 -27.086  13.604
   35    H    ASP 134           H        ASP 134  13.634 -25.350  14.012
   36    HA   ASP 134           HA       ASP 134  14.038 -24.081  16.624
   37    HB2  ASP 134           HB2      ASP 134  15.453 -25.975  16.325
   38    HB3  ASP 134           HB1      ASP 134  15.915 -25.464  14.704
   39    H    GLY 135           H        GLY 135  15.352 -23.739  13.336
   40    HA2  GLY 135           HA2      GLY 135  14.899 -20.916  13.304
   41    HA3  GLY 135           HA1      GLY 135  16.588 -21.309  13.602
   42    H    GLY 136           H        GLY 136  14.192 -20.887  11.270
   43    HA2  GLY 136           HA2      GLY 136  15.846 -22.226   9.223
   44    HA3  GLY 136           HA1      GLY 136  14.124 -21.905   9.065
   45    H    ASP 137           H        ASP 137  16.406 -21.153   7.342
   46    HA   ASP 137           HA       ASP 137  16.453 -18.243   7.564
   47    HB2  ASP 137           HB2      ASP 137  18.130 -18.310   5.814
   48    HB3  ASP 137           HB1      ASP 137  18.543 -19.499   7.044
   49    H    SER 138           H        SER 138  14.427 -20.465   6.350
   50    HA   SER 138           HA       SER 138  12.969 -20.699   4.646
   51    HB2  SER 138           HB2      SER 138  11.607 -18.668   4.166
   52    HB3  SER 138           HB1      SER 138  11.804 -19.001   5.883
   53    HG   SER 138           HG       SER 138  13.794 -17.408   5.088
   54    HA   PRO 139           HA       PRO 139  15.728 -19.522   1.195
   55    HB2  PRO 139           HB2      PRO 139  15.807 -22.283   0.446
   56    HB3  PRO 139           HB1      PRO 139  17.120 -21.299   1.093
   57    HG2  PRO 139           HG2      PRO 139  15.939 -23.414   2.416
   58    HG3  PRO 139           HG1      PRO 139  16.837 -22.104   3.203
   59    HD2  PRO 139           HD2      PRO 139  13.887 -22.488   2.921
   60    HD3  PRO 139           HD1      PRO 139  14.816 -21.834   4.288
   61    H    VAL 140           H        VAL 140  14.881 -18.969  -0.699
   62    HA   VAL 140           HA       VAL 140  13.489 -18.774  -2.466
   63    HB   VAL 140           HB       VAL 140  12.928 -21.716  -2.054
   64   HG11  VAL 140          1HG1      VAL 140  12.340 -21.706  -4.438
   65   HG12  VAL 140          2HG1      VAL 140  12.590 -19.961  -4.489
   66   HG13  VAL 140          3HG1      VAL 140  11.290 -20.637  -3.507
   67   HG21  VAL 140          3HG2      VAL 140  14.672 -22.087  -3.728
   68   HG22  VAL 140          1HG2      VAL 140  15.312 -21.284  -2.295
   69   HG23  VAL 140          2HG2      VAL 140  15.006 -20.356  -3.762
   70    H    GLN 141           H        GLN 141  12.103 -17.385  -1.305
   71    HA   GLN 141           HA       GLN 141   9.753 -18.363  -0.020
   72    HB2  GLN 141           HB2      GLN 141  10.373 -15.642  -1.187
   73    HB3  GLN 141           HB1      GLN 141   8.976 -16.007  -0.180
   74    HG2  GLN 141           HG2      GLN 141  10.397 -16.519   1.691
   75    HG3  GLN 141           HG1      GLN 141  11.839 -16.335   0.694
   76   HE21  GLN 141          1HE2      GLN 141  12.502 -14.289   0.085
   77   HE22  GLN 141          2HE2      GLN 141  11.936 -12.863   0.885
   78    H    ASP 142           H        ASP 142   8.284 -19.490  -1.083
   79    HA   ASP 142           HA       ASP 142   8.044 -19.268  -3.955
   80    HB2  ASP 142           HB2      ASP 142   8.075 -21.467  -2.769
   81    HB3  ASP 142           HB1      ASP 142   6.525 -21.042  -2.050
   82    H    ILE 143           H        ILE 143   6.817 -17.760  -4.781
   83    HA   ILE 143           HA       ILE 143   4.105 -17.384  -3.833
   84    HB   ILE 143           HB       ILE 143   4.581 -14.806  -4.055
   85   HG12  ILE 143          2HG1      ILE 143   7.271 -15.967  -3.321
   86   HG13  ILE 143          1HG1      ILE 143   6.890 -14.867  -4.641
   87   HG21  ILE 143          1HG2      ILE 143   5.237 -16.400  -1.585
   88   HG22  ILE 143          2HG2      ILE 143   3.638 -15.863  -2.099
   89   HG23  ILE 143          3HG2      ILE 143   4.854 -14.679  -1.620
   90   HD11  ILE 143          3HD1      ILE 143   8.048 -13.714  -2.866
   91   HD12  ILE 143          1HD1      ILE 143   6.816 -14.220  -1.708
   92   HD13  ILE 143          2HD1      ILE 143   6.398 -13.108  -3.015
   93    H    ASP 144           H        ASP 144   3.007 -17.701  -5.624
   94    HA   ASP 144           HA       ASP 144   4.002 -16.862  -8.212
   95    HB2  ASP 144           HB2      ASP 144   2.723 -18.960  -8.005
   96    HB3  ASP 144           HB1      ASP 144   1.335 -18.059  -7.405
   97    H    THR 145           H        THR 145   1.217 -16.168  -6.149
   98    HA   THR 145           HA       THR 145   1.315 -13.368  -6.883
   99    HB   THR 145           HB       THR 145  -1.241 -14.935  -7.321
  100    HG1  THR 145           HG1      THR 145   0.277 -15.403  -8.978
  101   HG21  THR 145          3HG2      THR 145  -2.070 -12.859  -8.300
  102   HG22  THR 145          1HG2      THR 145  -0.524 -12.074  -7.979
  103   HG23  THR 145          2HG2      THR 145  -1.546 -12.589  -6.637
  104    HA   PRO 146           HA       PRO 146   0.496 -13.896  -2.404
  105    HB2  PRO 146           HB2      PRO 146   1.088 -10.985  -2.603
  106    HB3  PRO 146           HB1      PRO 146   1.710 -12.186  -1.463
  107    HG2  PRO 146           HG2      PRO 146   3.243 -11.289  -3.440
  108    HG3  PRO 146           HG1      PRO 146   3.274 -13.001  -2.978
  109    HD2  PRO 146           HD2      PRO 146   1.939 -11.693  -5.314
  110    HD3  PRO 146           HD1      PRO 146   2.795 -13.248  -5.230
  111    H    GLU 147           H        GLU 147  -1.185 -13.179  -1.084
  112    HA   GLU 147           HA       GLU 147  -3.382 -11.930  -2.577
  113    HB2  GLU 147           HB2      GLU 147  -4.858 -13.053  -0.930
  114    HB3  GLU 147           HB1      GLU 147  -3.878 -14.187  -1.848
  115    HG2  GLU 147           HG2      GLU 147  -2.292 -14.246   0.084
  116    HG3  GLU 147           HG1      GLU 147  -3.457 -13.282   0.989
  117    H    VAL 148           H        VAL 148  -4.484 -10.198  -1.739
  118    HA   VAL 148           HA       VAL 148  -3.259  -8.936   0.601
  119    HB   VAL 148           HB       VAL 148  -3.202  -7.468  -1.283
  120   HG11  VAL 148          1HG1      VAL 148  -6.162  -7.945  -1.584
  121   HG12  VAL 148          2HG1      VAL 148  -4.892  -8.481  -2.685
  122   HG13  VAL 148          3HG1      VAL 148  -5.221  -6.759  -2.489
  123   HG21  VAL 148          3HG2      VAL 148  -5.482  -6.615   0.493
  124   HG22  VAL 148          1HG2      VAL 148  -4.466  -5.559  -0.489
  125   HG23  VAL 148          2HG2      VAL 148  -3.766  -6.439   0.870
  126    H    ASP 149           H        ASP 149  -4.236  -9.573   2.386
  127    HA   ASP 149           HA       ASP 149  -6.951 -10.312   2.597
  128    HB2  ASP 149           HB2      ASP 149  -5.018  -9.410   4.745
  129    HB3  ASP 149           HB1      ASP 149  -6.587 -10.147   5.048
  130    H    LEU 150           H        LEU 150  -8.608  -8.982   2.314
  131    HA   LEU 150           HA       LEU 150  -8.311  -6.160   3.042
  132    HB2  LEU 150           HB2      LEU 150 -10.424  -7.573   1.411
  133    HB3  LEU 150           HB1      LEU 150 -10.395  -5.850   1.732
  134    HG   LEU 150           HG       LEU 150  -8.197  -7.301   0.267
  135   HD11  LEU 150          1HD1      LEU 150 -10.521  -5.743  -0.843
  136   HD12  LEU 150          2HD1      LEU 150 -10.240  -7.477  -1.017
  137   HD13  LEU 150          3HD1      LEU 150  -9.137  -6.325  -1.770
  138   HD21  LEU 150          3HD2      LEU 150  -7.510  -5.218   1.319
  139   HD22  LEU 150          1HD2      LEU 150  -8.852  -4.374   0.546
  140   HD23  LEU 150          2HD2      LEU 150  -7.553  -5.050  -0.437
  141    H    TYR 151           H        TYR 151  -9.254  -8.912   4.473
  142    HA   TYR 151           HA       TYR 151 -11.736  -8.122   5.664
  143    HB2  TYR 151           HB2      TYR 151 -10.963 -10.504   5.303
  144    HB3  TYR 151           HB1      TYR 151  -9.824 -10.264   6.622
  145    HD1  TYR 151           HD2      TYR 151 -13.447 -10.247   5.804
  146    HD2  TYR 151           HD1      TYR 151 -10.500 -10.565   8.853
  147    HE1  TYR 151           HE2      TYR 151 -15.191 -10.889   7.413
  148    HE2  TYR 151           HE1      TYR 151 -12.235 -11.209  10.470
  149    HH   TYR 151           HH       TYR 151 -14.670 -10.939  10.761
  150    H    GLN 152           H        GLN 152  -8.429  -7.566   6.287
  151    HA   GLN 152           HA       GLN 152  -8.540  -6.971   9.062
  152    HB2  GLN 152           HB2      GLN 152  -6.400  -5.657   8.469
  153    HB3  GLN 152           HB1      GLN 152  -6.387  -7.401   8.226
  154    HG2  GLN 152           HG2      GLN 152  -6.490  -7.208   5.930
  155    HG3  GLN 152           HG1      GLN 152  -7.166  -5.581   5.997
  156   HE21  GLN 152          1HE2      GLN 152  -4.272  -7.499   6.248
  157   HE22  GLN 152          2HE2      GLN 152  -3.159  -6.186   6.042
  158    H    LEU 153           H        LEU 153  -9.407  -5.217   6.210
  159    HA   LEU 153           HA       LEU 153  -8.965  -2.600   7.199
  160    HB2  LEU 153           HB2      LEU 153 -10.765  -3.562   4.978
  161    HB3  LEU 153           HB1      LEU 153 -10.381  -1.880   5.296
  162    HG   LEU 153           HG       LEU 153  -8.483  -4.036   4.378
  163   HD11  LEU 153          1HD1      LEU 153  -8.229  -2.604   2.423
  164   HD12  LEU 153          2HD1      LEU 153  -9.398  -1.468   3.094
  165   HD13  LEU 153          3HD1      LEU 153  -9.909  -3.094   2.638
  166   HD21  LEU 153          3HD2      LEU 153  -7.357  -2.618   6.003
  167   HD22  LEU 153          1HD2      LEU 153  -7.887  -1.178   5.133
  168   HD23  LEU 153          2HD2      LEU 153  -6.758  -2.302   4.375
  169    H    GLN 154           H        GLN 154 -10.641  -0.999   7.539
  170    HA   GLN 154           HA       GLN 154 -12.538  -1.924   9.481
  171    HB2  GLN 154           HB2      GLN 154 -12.131   0.840   8.325
  172    HB3  GLN 154           HB1      GLN 154 -13.078   0.451   9.754
  173    HG2  GLN 154           HG2      GLN 154 -10.111   0.060   9.452
  174    HG3  GLN 154           HG1      GLN 154 -10.901   1.370  10.328
  175   HE21  GLN 154          1HE2      GLN 154 -11.957   0.928  12.253
  176   HE22  GLN 154          2HE2      GLN 154 -11.615  -0.504  13.165
  177    H    VAL 155           H        VAL 155 -14.827  -1.445   9.398
  178    HA   VAL 155           HA       VAL 155 -16.110  -2.242   7.036
  179    HB   VAL 155           HB       VAL 155 -17.309  -0.608   9.286
  180   HG11  VAL 155          1HG1      VAL 155 -18.697  -0.662   7.277
  181   HG12  VAL 155          2HG1      VAL 155 -19.430  -1.592   8.584
  182   HG13  VAL 155          3HG1      VAL 155 -18.613  -2.425   7.260
  183   HG21  VAL 155          3HG2      VAL 155 -18.032  -2.773  10.205
  184   HG22  VAL 155          1HG2      VAL 155 -16.279  -2.601  10.179
  185   HG23  VAL 155          2HG2      VAL 155 -17.083  -3.594   8.964
  186    H    ASN 156           H        ASN 156 -15.583   0.941   8.471
  187    HA   ASN 156           HA       ASN 156 -16.960   2.429   6.541
  188    HB2  ASN 156           HB2      ASN 156 -14.727   3.137   8.430
  189    HB3  ASN 156           HB1      ASN 156 -15.396   4.320   7.311
  190   HD21  ASN 156          1HD2      ASN 156 -15.405   4.256  10.232
  191   HD22  ASN 156          2HD2      ASN 156 -17.073   4.352  10.695
  192    H    THR 157           H        THR 157 -13.670   1.208   6.620
  193    HA   THR 157           HA       THR 157 -12.676   2.699   4.429
  194    HB   THR 157           HB       THR 157 -11.737  -0.003   5.424
  195    HG1  THR 157           HG1      THR 157 -10.239   2.149   6.168
  196   HG21  THR 157          3HG2      THR 157 -10.849   0.611   3.217
  197   HG22  THR 157          1HG2      THR 157  -9.588   0.622   4.450
  198   HG23  THR 157          2HG2      THR 157 -10.274   2.142   3.877
  199    H    LEU 158           H        LEU 158 -14.057  -0.574   4.680
  200    HA   LEU 158           HA       LEU 158 -13.781  -1.220   1.938
  201    HB2  LEU 158           HB2      LEU 158 -15.716  -2.261   4.004
  202    HB3  LEU 158           HB1      LEU 158 -15.452  -2.986   2.431
  203    HG   LEU 158           HG       LEU 158 -13.305  -2.708   4.536
  204   HD11  LEU 158          1HD1      LEU 158 -15.089  -4.185   5.299
  205   HD12  LEU 158          2HD1      LEU 158 -13.615  -5.083   4.933
  206   HD13  LEU 158          3HD1      LEU 158 -14.965  -5.105   3.799
  207   HD21  LEU 158          3HD2      LEU 158 -12.432  -2.835   2.273
  208   HD22  LEU 158          1HD2      LEU 158 -13.420  -4.263   1.958
  209   HD23  LEU 158          2HD2      LEU 158 -12.116  -4.337   3.142
  210    H    ARG 159           H        ARG 159 -16.421   0.200   3.812
  211    HA   ARG 159           HA       ARG 159 -18.243   0.434   1.657
  212    HB2  ARG 159           HB2      ARG 159 -17.998   1.918   4.267
  213    HB3  ARG 159           HB1      ARG 159 -19.285   2.239   3.117
  214    HG2  ARG 159           HG2      ARG 159 -19.999  -0.118   3.320
  215    HG3  ARG 159           HG1      ARG 159 -18.753  -0.355   4.547
  216    HD2  ARG 159           HD2      ARG 159 -19.793   1.393   5.925
  217    HD3  ARG 159           HD1      ARG 159 -21.047   1.598   4.705
  218    HE   ARG 159           HE       ARG 159 -20.839  -1.096   5.676
  219   HH11  ARG 159          1HH1      ARG 159 -22.254   2.048   6.221
  220   HH12  ARG 159          2HH1      ARG 159 -23.555   1.444   7.203
  221   HH21  ARG 159          1HH2      ARG 159 -22.542  -1.915   6.974
  222   HH22  ARG 159          2HH2      ARG 159 -23.687  -0.803   7.674
  223    H    ARG 160           H        ARG 160 -15.687   2.500   2.903
  224    HA   ARG 160           HA       ARG 160 -16.211   4.816   1.415
  225    HB2  ARG 160           HB2      ARG 160 -14.601   4.535   3.342
  226    HB3  ARG 160           HB1      ARG 160 -13.491   3.781   2.209
  227    HG2  ARG 160           HG2      ARG 160 -13.395   5.821   0.905
  228    HG3  ARG 160           HG1      ARG 160 -14.556   6.588   1.993
  229    HD2  ARG 160           HD2      ARG 160 -11.803   5.586   2.720
  230    HD3  ARG 160           HD1      ARG 160 -12.288   7.272   2.534
  231    HE   ARG 160           HE       ARG 160 -13.871   6.786   4.449
  232   HH11  ARG 160          1HH1      ARG 160 -10.819   5.108   4.031
  233   HH12  ARG 160          2HH1      ARG 160 -10.621   4.796   5.731
  234   HH21  ARG 160          1HH2      ARG 160 -13.631   6.349   6.662
  235   HH22  ARG 160          2HH2      ARG 160 -12.249   5.460   7.227
  236    H    TYR 161           H        TYR 161 -14.120   2.031   0.742
  237    HA   TYR 161           HA       TYR 161 -13.240   2.681  -1.793
  238    HB2  TYR 161           HB2      TYR 161 -12.462   0.686  -0.622
  239    HB3  TYR 161           HB1      TYR 161 -14.063  -0.039  -0.736
  240    HD1  TYR 161           HD1      TYR 161 -11.027   0.866  -2.597
  241    HD2  TYR 161           HD2      TYR 161 -14.823  -1.035  -2.795
  242    HE1  TYR 161           HE1      TYR 161 -10.413  -0.130  -4.757
  243    HE2  TYR 161           HE2      TYR 161 -14.217  -2.032  -4.955
  244    HH   TYR 161           HH       TYR 161 -11.040  -2.010  -6.163
  245    H    LYS 162           H        LYS 162 -16.217   0.994  -0.879
  246    HA   LYS 162           HA       LYS 162 -17.262   0.657  -3.447
  247    HB2  LYS 162           HB2      LYS 162 -18.574   0.920  -0.756
  248    HB3  LYS 162           HB1      LYS 162 -19.501   0.626  -2.221
  249    HG2  LYS 162           HG2      LYS 162 -18.407  -1.451  -2.587
  250    HG3  LYS 162           HG1      LYS 162 -17.248  -1.131  -1.293
  251    HD2  LYS 162           HD2      LYS 162 -18.932  -1.318   0.370
  252    HD3  LYS 162           HD1      LYS 162 -20.214  -1.323  -0.842
  253    HE2  LYS 162           HE2      LYS 162 -19.705  -3.564   0.100
  254    HE3  LYS 162           HE1      LYS 162 -19.528  -3.462  -1.653
  255    HZ1  LYS 162           HZ1      LYS 162 -17.686  -4.653  -0.549
  256    HZ2  LYS 162           HZ2      LYS 162 -17.277  -3.231   0.271
  257    HZ3  LYS 162           HZ3      LYS 162 -17.168  -3.294  -1.414
  258    H    ARG 163           H        ARG 163 -17.687   3.373  -1.188
  259    HA   ARG 163           HA       ARG 163 -19.607   4.659  -2.862
  260    HB2  ARG 163           HB2      ARG 163 -17.983   5.812  -0.593
  261    HB3  ARG 163           HB1      ARG 163 -19.403   6.546  -1.323
  262    HG2  ARG 163           HG2      ARG 163 -19.325   3.952   0.207
  263    HG3  ARG 163           HG1      ARG 163 -19.973   5.489   0.778
  264    HD2  ARG 163           HD2      ARG 163 -21.006   3.978  -1.618
  265    HD3  ARG 163           HD1      ARG 163 -21.713   3.894  -0.007
  266    HE   ARG 163           HE       ARG 163 -21.635   6.575  -0.650
  267   HH11  ARG 163          1HH1      ARG 163 -23.116   3.687  -2.020
  268   HH12  ARG 163          2HH1      ARG 163 -24.480   4.558  -2.653
  269   HH21  ARG 163          1HH2      ARG 163 -23.430   7.686  -1.497
  270   HH22  ARG 163          2HH2      ARG 163 -24.660   6.813  -2.371
  271    H    HIS 164           H        HIS 164 -16.115   5.045  -2.380
  272    HA   HIS 164           HA       HIS 164 -15.918   7.344  -4.062
  273    HB2  HIS 164           HB2      HIS 164 -13.990   5.530  -2.719
  274    HB3  HIS 164           HB1      HIS 164 -13.398   6.420  -4.118
  275    HD1  HIS 164           HD1      HIS 164 -13.424   9.065  -3.924
  276    HD2  HIS 164           HD2      HIS 164 -14.290   7.012  -0.409
  277    HE1  HIS 164           HE1      HIS 164 -13.150  10.743  -2.070
  278    HE2  HIS 164           HE2      HIS 164 -13.595   9.467   0.053
  279    H    PHE 165           H        PHE 165 -15.676   3.875  -4.615
  280    HA   PHE 165           HA       PHE 165 -14.973   4.359  -7.400
  281    HB2  PHE 165           HB2      PHE 165 -15.074   1.910  -5.684
  282    HB3  PHE 165           HB1      PHE 165 -15.096   1.752  -7.439
  283    HD1  PHE 165           HD1      PHE 165 -13.126   2.939  -4.559
  284    HD2  PHE 165           HD2      PHE 165 -13.154   2.148  -8.741
  285    HE1  PHE 165           HE1      PHE 165 -10.679   3.177  -4.620
  286    HE2  PHE 165           HE2      PHE 165 -10.706   2.380  -8.805
  287    HZ   PHE 165           HZ       PHE 165  -9.465   2.896  -6.743
  288    H    LYS 166           H        LYS 166 -17.723   4.433  -5.706
  289    HA   LYS 166           HA       LYS 166 -19.903   4.577  -6.296
  290    HB2  LYS 166           HB2      LYS 166 -18.917   4.391  -9.144
  291    HB3  LYS 166           HB1      LYS 166 -20.458   5.045  -8.605
  292    HG2  LYS 166           HG2      LYS 166 -17.731   6.195  -8.041
  293    HG3  LYS 166           HG1      LYS 166 -18.934   6.834  -9.163
  294    HD2  LYS 166           HD2      LYS 166 -20.413   7.389  -7.381
  295    HD3  LYS 166           HD1      LYS 166 -19.433   6.503  -6.212
  296    HE2  LYS 166           HE2      LYS 166 -17.585   8.098  -6.616
  297    HE3  LYS 166           HE1      LYS 166 -18.647   9.012  -7.688
  298    HZ1  LYS 166           HZ1      LYS 166 -19.238   8.481  -4.826
  299    HZ2  LYS 166           HZ2      LYS 166 -20.090   9.508  -5.873
  300    HZ3  LYS 166           HZ3      LYS 166 -18.511   9.899  -5.398
  301    H    LEU 167           H        LEU 167 -19.268   2.134  -5.466
  302    HA   LEU 167           HA       LEU 167 -20.140   0.181  -7.455
  303    HB2  LEU 167           HB2      LEU 167 -19.139  -0.193  -4.633
  304    HB3  LEU 167           HB1      LEU 167 -19.541  -1.491  -5.738
  305    HG   LEU 167           HG       LEU 167 -17.310   0.511  -6.086
  306   HD11  LEU 167          1HD1      LEU 167 -17.282  -2.443  -5.487
  307   HD12  LEU 167          2HD1      LEU 167 -16.845  -1.147  -4.374
  308   HD13  LEU 167          3HD1      LEU 167 -15.863  -1.446  -5.806
  309   HD21  LEU 167          3HD2      LEU 167 -18.299  -0.115  -8.230
  310   HD22  LEU 167          1HD2      LEU 167 -18.114  -1.820  -7.821
  311   HD23  LEU 167          2HD2      LEU 167 -16.688  -0.806  -8.039
  312    HA   PRO 168           HA       PRO 168 -24.298   0.137  -5.867
  313    HB2  PRO 168           HB2      PRO 168 -24.534  -2.455  -7.220
  314    HB3  PRO 168           HB1      PRO 168 -25.385  -0.944  -7.549
  315    HG2  PRO 168           HG2      PRO 168 -23.525  -1.940  -9.222
  316    HG3  PRO 168           HG1      PRO 168 -23.761  -0.195  -9.003
  317    HD2  PRO 168           HD2      PRO 168 -21.664  -1.988  -7.834
  318    HD3  PRO 168           HD1      PRO 168 -21.500  -0.347  -8.494
  319    H    THR 169           H        THR 169 -24.910  -0.505  -3.910
  320    HA   THR 169           HA       THR 169 -23.937  -3.090  -2.905
  321    HB   THR 169           HB       THR 169 -24.326  -2.030  -0.615
  322    HG1  THR 169           HG1      THR 169 -24.963  -0.012  -0.561
  323   HG21  THR 169          3HG2      THR 169 -22.096  -2.406  -1.529
  324   HG22  THR 169          1HG2      THR 169 -22.161  -0.876  -0.653
  325   HG23  THR 169          2HG2      THR 169 -22.192  -0.883  -2.418
  326    H    ARG 170           H        ARG 170 -25.366  -4.554  -2.297
  327    HA   ARG 170           HA       ARG 170 -28.200  -3.995  -2.505
  328    HB2  ARG 170           HB2      ARG 170 -28.401  -6.468  -2.040
  329    HB3  ARG 170           HB1      ARG 170 -27.489  -6.056  -3.486
  330    HG2  ARG 170           HG2      ARG 170 -25.401  -6.404  -2.263
  331    HG3  ARG 170           HG1      ARG 170 -26.322  -6.827  -0.819
  332    HD2  ARG 170           HD2      ARG 170 -26.549  -8.288  -3.443
  333    HD3  ARG 170           HD1      ARG 170 -25.464  -8.775  -2.143
  334    HE   ARG 170           HE       ARG 170 -27.826  -8.673  -0.882
  335   HH11  ARG 170          1HH1      ARG 170 -26.929 -10.126  -3.947
  336   HH12  ARG 170          2HH1      ARG 170 -28.053 -11.449  -3.782
  337   HH21  ARG 170          1HH2      ARG 170 -29.275 -10.407  -0.669
  338   HH22  ARG 170          2HH2      ARG 170 -29.367 -11.615  -1.917
  339    HA   PRO 171           HA       PRO 171 -29.034  -3.516   1.832
  340    HB2  PRO 171           HB2      PRO 171 -31.391  -5.264   1.504
  341    HB3  PRO 171           HB1      PRO 171 -31.311  -3.571   1.998
  342    HG2  PRO 171           HG2      PRO 171 -32.241  -4.281  -0.410
  343    HG3  PRO 171           HG1      PRO 171 -31.295  -2.797  -0.179
  344    HD2  PRO 171           HD2      PRO 171 -30.435  -5.445  -1.287
  345    HD3  PRO 171           HD1      PRO 171 -30.022  -3.806  -1.834
  346    H    GLY 172           H        GLY 172 -28.405  -4.547   3.639
  347    HA2  GLY 172           HA2      GLY 172 -28.384  -6.425   5.118
  348    HA3  GLY 172           HA1      GLY 172 -28.534  -7.486   3.722
  349    H    LEU 173           H        LEU 173 -26.314  -4.770   4.182
  350    HA   LEU 173           HA       LEU 173 -24.122  -6.345   3.235
  351    HB2  LEU 173           HB2      LEU 173 -24.239  -3.570   4.393
  352    HB3  LEU 173           HB1      LEU 173 -22.764  -4.312   3.801
  353    HG   LEU 173           HG       LEU 173 -25.221  -3.720   2.145
  354   HD11  LEU 173          1HD1      LEU 173 -23.824  -2.023   1.089
  355   HD12  LEU 173          2HD1      LEU 173 -22.510  -2.400   2.204
  356   HD13  LEU 173          3HD1      LEU 173 -24.014  -1.708   2.814
  357   HD21  LEU 173          3HD2      LEU 173 -24.039  -5.701   1.348
  358   HD22  LEU 173          1HD2      LEU 173 -22.520  -4.804   1.337
  359   HD23  LEU 173          2HD2      LEU 173 -23.822  -4.351   0.236
  360    H    ASN 174           H        ASN 174 -22.382  -7.086   4.274
  361    HA   ASN 174           HA       ASN 174 -22.242  -6.922   7.192
  362    HB2  ASN 174           HB2      ASN 174 -23.323  -9.019   6.871
  363    HB3  ASN 174           HB1      ASN 174 -22.324  -9.409   5.476
  364   HD21  ASN 174          1HD2      ASN 174 -22.456  -9.250   8.954
  365   HD22  ASN 174          2HD2      ASN 174 -21.062 -10.239   9.239
  366    H    LYS 175           H        LYS 175 -20.035  -7.500   7.982
  367    HA   LYS 175           HA       LYS 175 -18.019  -6.134   6.722
  368    HB2  LYS 175           HB2      LYS 175 -17.807  -6.796   9.026
  369    HB3  LYS 175           HB1      LYS 175 -17.817  -8.498   8.589
  370    HG2  LYS 175           HG2      LYS 175 -15.578  -7.686   9.179
  371    HG3  LYS 175           HG1      LYS 175 -15.662  -8.283   7.522
  372    HD2  LYS 175           HD2      LYS 175 -15.800  -6.008   6.685
  373    HD3  LYS 175           HD1      LYS 175 -15.801  -5.377   8.336
  374    HE2  LYS 175           HE2      LYS 175 -13.573  -6.978   7.080
  375    HE3  LYS 175           HE1      LYS 175 -13.593  -5.223   7.229
  376    HZ1  LYS 175           HZ1      LYS 175 -13.716  -7.102   9.532
  377    HZ2  LYS 175           HZ2      LYS 175 -13.561  -5.413   9.604
  378    HZ3  LYS 175           HZ3      LYS 175 -12.301  -6.353   8.976
  379    H    ALA 176           H        ALA 176 -18.489  -9.674   6.597
  380    HA   ALA 176           HA       ALA 176 -16.351 -10.188   4.849
  381    HB1  ALA 176           HB1      ALA 176 -18.893 -11.774   5.191
  382    HB2  ALA 176           HB2      ALA 176 -17.445 -11.926   6.185
  383    HB3  ALA 176           HB3      ALA 176 -17.389 -12.357   4.476
  384    H    GLN 177           H        GLN 177 -19.713  -9.332   4.252
  385    HA   GLN 177           HA       GLN 177 -19.765  -9.904   1.482
  386    HB2  GLN 177           HB2      GLN 177 -21.383  -7.914   3.093
  387    HB3  GLN 177           HB1      GLN 177 -21.719  -8.351   1.423
  388    HG2  GLN 177           HG2      GLN 177 -21.780 -10.215   3.781
  389    HG3  GLN 177           HG1      GLN 177 -23.182  -9.527   2.968
  390   HE21  GLN 177          1HE2      GLN 177 -21.935  -9.820   0.320
  391   HE22  GLN 177          2HE2      GLN 177 -22.008 -11.502  -0.062
  392    H    LEU 178           H        LEU 178 -18.983  -7.032   3.348
  393    HA   LEU 178           HA       LEU 178 -18.587  -5.259   1.211
  394    HB2  LEU 178           HB2      LEU 178 -17.183  -5.315   3.887
  395    HB3  LEU 178           HB1      LEU 178 -17.225  -3.954   2.782
  396    HG   LEU 178           HG       LEU 178 -19.615  -5.124   4.209
  397   HD11  LEU 178          1HD1      LEU 178 -18.161  -2.517   4.615
  398   HD12  LEU 178          2HD1      LEU 178 -18.084  -3.921   5.683
  399   HD13  LEU 178          3HD1      LEU 178 -19.606  -3.055   5.473
  400   HD21  LEU 178          3HD2      LEU 178 -20.803  -3.162   3.323
  401   HD22  LEU 178          1HD2      LEU 178 -20.240  -4.237   2.043
  402   HD23  LEU 178          2HD2      LEU 178 -19.372  -2.737   2.380
  403    H    VAL 179           H        VAL 179 -16.321  -7.341   2.965
  404    HA   VAL 179           HA       VAL 179 -13.989  -6.613   1.625
  405    HB   VAL 179           HB       VAL 179 -14.589  -9.393   2.639
  406   HG11  VAL 179          1HG1      VAL 179 -12.527  -9.139   1.350
  407   HG12  VAL 179          2HG1      VAL 179 -12.197  -9.484   3.049
  408   HG13  VAL 179          3HG1      VAL 179 -12.020  -7.840   2.432
  409   HG21  VAL 179          3HG2      VAL 179 -13.621  -6.991   4.185
  410   HG22  VAL 179          1HG2      VAL 179 -13.684  -8.644   4.798
  411   HG23  VAL 179          2HG2      VAL 179 -15.174  -7.803   4.376
  412    H    GLU 180           H        GLU 180 -16.300  -9.214   0.889
  413    HA   GLU 180           HA       GLU 180 -14.942 -10.323  -1.281
  414    HB2  GLU 180           HB2      GLU 180 -17.911 -10.185  -0.765
  415    HB3  GLU 180           HB1      GLU 180 -17.156 -11.211  -1.975
  416    HG2  GLU 180           HG2      GLU 180 -15.900 -12.341  -0.175
  417    HG3  GLU 180           HG1      GLU 180 -16.771 -11.362   1.004
  418    H    ILE 181           H        ILE 181 -17.507  -7.835  -1.303
  419    HA   ILE 181           HA       ILE 181 -17.517  -7.464  -4.094
  420    HB   ILE 181           HB       ILE 181 -18.197  -5.441  -1.951
  421   HG12  ILE 181          2HG1      ILE 181 -19.968  -7.353  -3.492
  422   HG13  ILE 181          1HG1      ILE 181 -19.514  -7.525  -1.801
  423   HG21  ILE 181          1HG2      ILE 181 -17.805  -4.398  -4.131
  424   HG22  ILE 181          2HG2      ILE 181 -19.509  -4.326  -3.682
  425   HG23  ILE 181          3HG2      ILE 181 -18.959  -5.508  -4.870
  426   HD11  ILE 181          3HD1      ILE 181 -21.148  -5.279  -2.966
  427   HD12  ILE 181          1HD1      ILE 181 -20.704  -5.459  -1.269
  428   HD13  ILE 181          2HD1      ILE 181 -21.768  -6.641  -2.033
  429    H    VAL 182           H        VAL 182 -15.557  -5.997  -1.539
  430    HA   VAL 182           HA       VAL 182 -14.412  -3.965  -3.136
  431    HB   VAL 182           HB       VAL 182 -13.378  -5.262  -0.609
  432   HG11  VAL 182          1HG1      VAL 182 -11.490  -4.374  -1.874
  433   HG12  VAL 182          2HG1      VAL 182 -11.811  -3.373  -0.457
  434   HG13  VAL 182          3HG1      VAL 182 -12.322  -2.830  -2.056
  435   HG21  VAL 182          3HG2      VAL 182 -14.680  -2.594  -1.136
  436   HG22  VAL 182          1HG2      VAL 182 -14.075  -3.152   0.423
  437   HG23  VAL 182          2HG2      VAL 182 -15.430  -3.980  -0.345
  438    H    GLY 183           H        GLY 183 -13.215  -7.210  -2.255
  439    HA2  GLY 183           HA2      GLY 183 -10.804  -7.010  -3.710
  440    HA3  GLY 183           HA1      GLY 183 -11.552  -8.499  -3.150
  441    H    CYS 184           H        CYS 184 -14.022  -8.107  -4.564
  442    HA   CYS 184           HA       CYS 184 -13.459  -9.323  -7.010
  443    HB2  CYS 184           HB2      CYS 184 -15.644  -9.478  -5.909
  444    HB3  CYS 184           HB1      CYS 184 -15.915  -7.761  -6.175
  445    HG   CYS 184           HG       CYS 184 -15.605 -10.071  -8.686
  446    H    HIS 185           H        HIS 185 -14.302  -5.935  -6.287
  447    HA   HIS 185           HA       HIS 185 -13.839  -5.171  -9.041
  448    HB2  HIS 185           HB2      HIS 185 -15.614  -4.096  -7.676
  449    HB3  HIS 185           HB1      HIS 185 -14.367  -3.408  -6.637
  450    HD1  HIS 185           HD1      HIS 185 -13.101  -1.368  -7.496
  451    HD2  HIS 185           HD2      HIS 185 -15.788  -2.933 -10.258
  452    HE1  HIS 185           HE1      HIS 185 -13.284   0.355  -9.320
  453    HE2  HIS 185           HE2      HIS 185 -14.773  -0.695 -11.064
  454    H    PHE 186           H        PHE 186 -12.038  -5.309  -6.114
  455    HA   PHE 186           HA       PHE 186 -10.150  -3.299  -6.461
  456    HB2  PHE 186           HB2      PHE 186 -10.571  -4.816  -4.441
  457    HB3  PHE 186           HB1      PHE 186  -9.549  -5.995  -5.250
  458    HD1  PHE 186           HD1      PHE 186  -9.442  -2.358  -4.431
  459    HD2  PHE 186           HD2      PHE 186  -7.389  -6.081  -4.531
  460    HE1  PHE 186           HE1      PHE 186  -7.473  -1.293  -3.427
  461    HE2  PHE 186           HE2      PHE 186  -5.412  -5.021  -3.529
  462    HZ   PHE 186           HZ       PHE 186  -5.447  -2.622  -2.975
  463    H    LYS 187           H        LYS 187 -10.211  -6.622  -7.646
  464    HA   LYS 187           HA       LYS 187  -7.627  -6.392  -8.902
  465    HB2  LYS 187           HB2      LYS 187  -9.785  -8.489  -9.095
  466    HB3  LYS 187           HB1      LYS 187  -8.242  -8.603  -9.932
  467    HG2  LYS 187           HG2      LYS 187  -7.082  -8.516  -7.770
  468    HG3  LYS 187           HG1      LYS 187  -8.646  -8.468  -6.951
  469    HD2  LYS 187           HD2      LYS 187  -9.217 -10.643  -7.823
  470    HD3  LYS 187           HD1      LYS 187  -7.747 -10.675  -8.799
  471    HE2  LYS 187           HE2      LYS 187  -6.403 -10.627  -6.746
  472    HE3  LYS 187           HE1      LYS 187  -7.880 -10.639  -5.785
  473    HZ1  LYS 187           HZ1      LYS 187  -6.868 -12.848  -6.004
  474    HZ2  LYS 187           HZ2      LYS 187  -7.075 -12.778  -7.688
  475    HZ3  LYS 187           HZ3      LYS 187  -8.430 -12.797  -6.665
  476    H    SER 188           H        SER 188 -10.463  -4.985  -9.694
  477    HA   SER 188           HA       SER 188 -10.081  -5.291 -12.595
  478    HB2  SER 188           HB2      SER 188 -12.471  -4.191 -11.092
  479    HB3  SER 188           HB1      SER 188 -12.371  -4.474 -12.830
  480    HG   SER 188           HG       SER 188 -11.831  -6.755 -12.079
  481    H    ILE 189           H        ILE 189  -8.762  -3.442 -10.451
  482    HA   ILE 189           HA       ILE 189  -9.461  -0.823 -11.523
  483    HB   ILE 189           HB       ILE 189  -7.465  -1.565  -9.377
  484   HG12  ILE 189          2HG1      ILE 189 -10.223  -0.352  -9.118
  485   HG13  ILE 189          1HG1      ILE 189  -9.831  -2.036  -8.785
  486   HG21  ILE 189          1HG2      ILE 189  -6.897   0.529 -10.490
  487   HG22  ILE 189          2HG2      ILE 189  -7.437   0.812  -8.835
  488   HG23  ILE 189          3HG2      ILE 189  -8.523   1.140 -10.186
  489   HD11  ILE 189          3HD1      ILE 189  -9.980  -0.729  -6.741
  490   HD12  ILE 189          1HD1      ILE 189  -8.719   0.353  -7.330
  491   HD13  ILE 189          2HD1      ILE 189  -8.342  -1.336  -6.989
  492    HA   PRO 190           HA       PRO 190  -5.982  -1.166 -14.376
  493    HB2  PRO 190           HB2      PRO 190  -6.538   1.119 -15.728
  494    HB3  PRO 190           HB1      PRO 190  -7.390  -0.400 -16.029
  495    HG2  PRO 190           HG2      PRO 190  -8.252   1.979 -14.446
  496    HG3  PRO 190           HG1      PRO 190  -9.204   0.944 -15.522
  497    HD2  PRO 190           HD2      PRO 190  -9.237   0.745 -12.793
  498    HD3  PRO 190           HD1      PRO 190  -9.586  -0.609 -13.885
  499    H    VAL 191           H        VAL 191  -4.088  -0.703 -13.429
  500    HA   VAL 191           HA       VAL 191  -3.705   2.007 -12.347
  501    HB   VAL 191           HB       VAL 191  -3.855   0.348 -10.554
  502   HG11  VAL 191          1HG1      VAL 191  -2.161  -1.394 -10.295
  503   HG12  VAL 191          2HG1      VAL 191  -1.477  -0.958 -11.861
  504   HG13  VAL 191          3HG1      VAL 191  -3.109  -1.621 -11.766
  505   HG21  VAL 191          3HG2      VAL 191  -1.745   0.840  -9.413
  506   HG22  VAL 191          1HG2      VAL 191  -2.416   2.266 -10.208
  507   HG23  VAL 191          2HG2      VAL 191  -1.063   1.402 -10.939
  508    H    ASN 192           H        ASN 192  -1.908   3.101 -12.921
  509    HA   ASN 192           HA       ASN 192  -0.076   1.774 -14.814
  510    HB2  ASN 192           HB2      ASN 192  -0.764   4.702 -14.460
  511    HB3  ASN 192           HB1      ASN 192   0.468   4.101 -15.563
  512   HD21  ASN 192          1HD2      ASN 192  -2.060   5.574 -15.992
  513   HD22  ASN 192          2HD2      ASN 192  -2.944   4.636 -17.143
  514    H    GLU 193           H        GLU 193   2.098   1.759 -14.421
  515    HA   GLU 193           HA       GLU 193   2.985   1.908 -11.775
  516    HB2  GLU 193           HB2      GLU 193   4.107   0.518 -13.397
  517    HB3  GLU 193           HB1      GLU 193   4.546   1.921 -14.358
  518    HG2  GLU 193           HG2      GLU 193   5.946   2.716 -12.485
  519    HG3  GLU 193           HG1      GLU 193   5.565   1.233 -11.613
  520    H    LYS 194           H        LYS 194   3.925   4.065 -14.461
  521    HA   LYS 194           HA       LYS 194   5.449   5.843 -12.957
  522    HB2  LYS 194           HB2      LYS 194   5.599   5.808 -15.349
  523    HB3  LYS 194           HB1      LYS 194   3.906   6.243 -15.519
  524    HG2  LYS 194           HG2      LYS 194   5.264   8.146 -16.020
  525    HG3  LYS 194           HG1      LYS 194   4.405   8.434 -14.507
  526    HD2  LYS 194           HD2      LYS 194   6.389   7.941 -13.235
  527    HD3  LYS 194           HD1      LYS 194   7.256   7.475 -14.699
  528    HE2  LYS 194           HE2      LYS 194   6.153  10.223 -14.134
  529    HE3  LYS 194           HE1      LYS 194   7.837   9.747 -13.921
  530    HZ1  LYS 194           HZ1      LYS 194   7.977   9.284 -16.285
  531    HZ2  LYS 194           HZ2      LYS 194   7.473  10.886 -16.032
  532    HZ3  LYS 194           HZ3      LYS 194   6.348   9.709 -16.496
  533    H    ASP 195           H        ASP 195   2.089   6.285 -14.059
  534    HA   ASP 195           HA       ASP 195   1.566   8.714 -12.840
  535    HB2  ASP 195           HB2      ASP 195   0.020   7.845 -14.431
  536    HB3  ASP 195           HB1      ASP 195  -0.249   6.391 -13.477
  537    H    THR 196           H        THR 196   1.081   5.469 -11.485
  538    HA   THR 196           HA       THR 196  -0.184   6.406  -9.129
  539    HB   THR 196           HB       THR 196   1.143   3.744  -9.617
  540    HG1  THR 196           HG1      THR 196  -0.406   3.771 -11.099
  541   HG21  THR 196          3HG2      THR 196   0.670   4.190  -7.253
  542   HG22  THR 196          1HG2      THR 196  -0.388   2.934  -7.894
  543   HG23  THR 196          2HG2      THR 196  -1.003   4.570  -7.662
  544    H    LEU 197           H        LEU 197   3.149   5.307  -9.795
  545    HA   LEU 197           HA       LEU 197   4.081   5.533  -7.155
  546    HB2  LEU 197           HB2      LEU 197   5.554   5.847  -9.767
  547    HB3  LEU 197           HB1      LEU 197   6.346   5.799  -8.204
  548    HG   LEU 197           HG       LEU 197   4.774   3.575  -9.505
  549   HD11  LEU 197          1HD1      LEU 197   7.015   3.898 -10.399
  550   HD12  LEU 197          2HD1      LEU 197   6.914   2.398  -9.470
  551   HD13  LEU 197          3HD1      LEU 197   7.686   3.826  -8.768
  552   HD21  LEU 197          3HD2      LEU 197   5.347   2.235  -7.554
  553   HD22  LEU 197          1HD2      LEU 197   4.358   3.621  -7.096
  554   HD23  LEU 197          2HD2      LEU 197   6.096   3.640  -6.794
  555    H    THR 198           H        THR 198   3.932   7.864  -9.793
  556    HA   THR 198           HA       THR 198   5.174  10.021  -8.517
  557    HB   THR 198           HB       THR 198   2.887  10.144 -10.498
  558    HG1  THR 198           HG1      THR 198   4.475   9.062 -11.536
  559   HG21  THR 198          3HG2      THR 198   3.804  12.348 -11.078
  560   HG22  THR 198          1HG2      THR 198   5.015  12.181  -9.808
  561   HG23  THR 198          2HG2      THR 198   3.306  12.292  -9.386
  562    H    CYS 199           H        CYS 199   1.735   9.076  -8.569
  563    HA   CYS 199           HA       CYS 199   0.756  11.206  -7.026
  564    HB2  CYS 199           HB2      CYS 199  -0.304   8.378  -7.239
  565    HB3  CYS 199           HB1      CYS 199  -1.198   9.761  -6.613
  566    HG   CYS 199           HG       CYS 199  -0.178   9.281  -9.849
  567    H    PHE 200           H        PHE 200   1.881   7.979  -6.067
  568    HA   PHE 200           HA       PHE 200   1.243   8.188  -3.342
  569    HB2  PHE 200           HB2      PHE 200   1.737   6.035  -4.319
  570    HB3  PHE 200           HB1      PHE 200   3.370   6.555  -4.740
  571    HD1  PHE 200           HD2      PHE 200   1.174   6.225  -1.733
  572    HD2  PHE 200           HD1      PHE 200   5.091   5.936  -3.368
  573    HE1  PHE 200           HE2      PHE 200   2.008   5.386   0.423
  574    HE2  PHE 200           HE1      PHE 200   5.934   5.097  -1.214
  575    HZ   PHE 200           HZ       PHE 200   4.394   4.819   0.683
  576    H    ILE 201           H        ILE 201   4.422   8.607  -4.922
  577    HA   ILE 201           HA       ILE 201   5.833   9.279  -2.616
  578    HB   ILE 201           HB       ILE 201   6.391  10.249  -5.429
  579   HG12  ILE 201          2HG1      ILE 201   7.438   7.795  -3.998
  580   HG13  ILE 201          1HG1      ILE 201   6.180   7.778  -5.230
  581   HG21  ILE 201          1HG2      ILE 201   7.654  11.497  -3.768
  582   HG22  ILE 201          2HG2      ILE 201   8.722  10.431  -4.682
  583   HG23  ILE 201          3HG2      ILE 201   8.225   9.994  -3.047
  584   HD11  ILE 201          3HD1      ILE 201   7.808   8.731  -6.832
  585   HD12  ILE 201          1HD1      ILE 201   8.256   7.137  -6.225
  586   HD13  ILE 201          2HD1      ILE 201   9.055   8.579  -5.594
  587    H    TYR 202           H        TYR 202   4.112  11.331  -4.921
  588    HA   TYR 202           HA       TYR 202   4.937  13.826  -3.927
  589    HB2  TYR 202           HB2      TYR 202   3.798  13.293  -6.142
  590    HB3  TYR 202           HB1      TYR 202   2.285  13.250  -5.247
  591    HD1  TYR 202           HD1      TYR 202   4.991  15.389  -6.481
  592    HD2  TYR 202           HD2      TYR 202   1.263  15.285  -4.437
  593    HE1  TYR 202           HE1      TYR 202   4.760  17.813  -6.794
  594    HE2  TYR 202           HE2      TYR 202   1.022  17.713  -4.744
  595    HH   TYR 202           HH       TYR 202   3.005  19.496  -6.876
  596    H    SER 203           H        SER 203   2.081  11.851  -3.186
  597    HA   SER 203           HA       SER 203   0.870  13.799  -1.524
  598    HB2  SER 203           HB2      SER 203   0.404  10.809  -1.576
  599    HB3  SER 203           HB1      SER 203  -0.678  12.027  -0.902
  600    HG   SER 203           HG       SER 203  -0.088  11.445  -3.584
  601    H    VAL 204           H        VAL 204   3.006  11.048  -0.850
  602    HA   VAL 204           HA       VAL 204   2.623  11.249   1.984
  603    HB   VAL 204           HB       VAL 204   4.840   9.789   0.529
  604   HG11  VAL 204          1HG1      VAL 204   5.247  10.013   2.911
  605   HG12  VAL 204          2HG1      VAL 204   4.838   8.341   2.520
  606   HG13  VAL 204          3HG1      VAL 204   3.634   9.391   3.266
  607   HG21  VAL 204          3HG2      VAL 204   3.385   7.810   0.665
  608   HG22  VAL 204          1HG2      VAL 204   2.707   9.076  -0.359
  609   HG23  VAL 204          2HG2      VAL 204   2.081   8.831   1.273
  610    H    ARG 205           H        ARG 205   4.852  12.631  -0.323
  611    HA   ARG 205           HA       ARG 205   6.647  13.661   1.671
  612    HB2  ARG 205           HB2      ARG 205   6.241  14.225  -1.252
  613    HB3  ARG 205           HB1      ARG 205   7.302  15.234  -0.278
  614    HG2  ARG 205           HG2      ARG 205   8.656  13.298   0.287
  615    HG3  ARG 205           HG1      ARG 205   7.574  12.258  -0.642
  616    HD2  ARG 205           HD2      ARG 205   9.684  12.932  -1.824
  617    HD3  ARG 205           HD1      ARG 205   8.189  13.298  -2.685
  618    HE   ARG 205           HE       ARG 205   8.479  15.629  -1.759
  619   HH11  ARG 205          1HH1      ARG 205  11.262  13.541  -2.194
  620   HH12  ARG 205          2HH1      ARG 205  12.345  14.861  -2.533
  621   HH21  ARG 205          1HH2      ARG 205   9.886  17.343  -2.175
  622   HH22  ARG 205          2HH2      ARG 205  11.560  17.033  -2.524
  623    H    ASN 206           H        ASN 206   3.535  14.418   0.749
  624    HA   ASN 206           HA       ASN 206   3.728  17.068   2.023
  625    HB2  ASN 206           HB2      ASN 206   1.926  16.131  -0.223
  626    HB3  ASN 206           HB1      ASN 206   1.624  17.600   0.692
  627   HD21  ASN 206          1HD2      ASN 206   4.535  18.123   0.927
  628   HD22  ASN 206          2HD2      ASN 206   5.013  18.731  -0.620
  629    H    ASP 207           H        ASP 207   0.734  17.172   2.019
  630    HA   ASP 207           HA       ASP 207   0.158  15.761   4.384
  631    HB2  ASP 207           HB2      ASP 207  -2.233  16.367   3.873
  632    HB3  ASP 207           HB1      ASP 207  -1.126  17.728   3.972
  633    H    LYS 208           H        LYS 208  -0.098  13.761   4.582
  634    HA   LYS 208           HA       LYS 208  -0.118  11.986   2.352
  635    HB2  LYS 208           HB2      LYS 208  -0.322  11.443   5.315
  636    HB3  LYS 208           HB1      LYS 208  -0.090  10.204   4.087
  637    HG2  LYS 208           HG2      LYS 208   2.056  11.013   3.535
  638    HG3  LYS 208           HG1      LYS 208   1.803  12.512   4.430
  639    HD2  LYS 208           HD2      LYS 208   1.738  11.243   6.524
  640    HD3  LYS 208           HD1      LYS 208   2.004   9.748   5.622
  641    HE2  LYS 208           HE2      LYS 208   4.176  10.444   4.950
  642    HE3  LYS 208           HE1      LYS 208   3.902  12.083   5.537
  643    HZ1  LYS 208           HZ1      LYS 208   3.965   9.687   7.283
  644    HZ2  LYS 208           HZ2      LYS 208   3.910  11.310   7.776
  645    HZ3  LYS 208           HZ3      LYS 208   5.299  10.695   7.018
  646    H    ASN 209           H        ASN 209  -2.618  13.629   3.598
  647    HA   ASN 209           HA       ASN 209  -4.504  12.066   2.212
  648    HB2  ASN 209           HB2      ASN 209  -6.034  11.651   4.226
  649    HB3  ASN 209           HB1      ASN 209  -4.671  10.570   4.011
  650   HD21  ASN 209          1HD2      ASN 209  -3.027  10.567   5.493
  651   HD22  ASN 209          2HD2      ASN 209  -3.134  11.379   7.021
  652    H    LYS 210           H        LYS 210  -4.890  14.085   5.135
  653    HA   LYS 210           HA       LYS 210  -5.243  16.517   3.824
  654    HB2  LYS 210           HB2      LYS 210  -7.629  16.860   3.811
  655    HB3  LYS 210           HB1      LYS 210  -7.272  15.420   2.870
  656    HG2  LYS 210           HG2      LYS 210  -7.933  14.016   4.754
  657    HG3  LYS 210           HG1      LYS 210  -8.292  15.462   5.702
  658    HD2  LYS 210           HD2      LYS 210  -9.945  16.112   3.956
  659    HD3  LYS 210           HD1      LYS 210  -9.653  14.561   3.166
  660    HE2  LYS 210           HE2      LYS 210 -10.683  14.949   5.974
  661    HE3  LYS 210           HE1      LYS 210 -11.658  14.510   4.573
  662    HZ1  LYS 210           HZ1      LYS 210  -9.369  12.867   5.491
  663    HZ2  LYS 210           HZ2      LYS 210 -10.617  12.423   4.423
  664    HZ3  LYS 210           HZ3      LYS 210 -10.943  12.645   6.076
  665    H    SER 211           H        SER 211  -5.586  14.455   6.519
  666    HA   SER 211           HA       SER 211  -5.517  14.760   8.751
  667    HB2  SER 211           HB2      SER 211  -4.918  17.647   8.062
  668    HB3  SER 211           HB1      SER 211  -4.783  16.941   9.674
  669    HG   SER 211           HG       SER 211  -2.811  17.062   8.248
  670    H    ASP 212           H        ASP 212  -7.457  14.318   9.506
  671    HA   ASP 212           HA       ASP 212  -9.720  16.046   9.004
  672    HB2  ASP 212           HB2      ASP 212  -9.514  13.529  10.673
  673    HB3  ASP 212           HB1      ASP 212 -11.009  14.369  10.282
  674    H    LEU 213           H        LEU 213  -9.048  17.943  10.084
  675    HA   LEU 213           HA       LEU 213  -9.014  17.730  13.021
  676    HB2  LEU 213           HB2      LEU 213  -7.996  19.981  11.281
  677    HB3  LEU 213           HB1      LEU 213  -7.872  19.892  13.028
  678    HG   LEU 213           HG       LEU 213  -6.501  18.047  11.070
  679   HD11  LEU 213          1HD1      LEU 213  -5.411  20.235  12.831
  680   HD12  LEU 213          2HD1      LEU 213  -5.532  20.269  11.071
  681   HD13  LEU 213          3HD1      LEU 213  -4.448  19.123  11.858
  682   HD21  LEU 213          3HD2      LEU 213  -6.299  18.185  14.077
  683   HD22  LEU 213          1HD2      LEU 213  -5.357  17.135  13.018
  684   HD23  LEU 213          2HD2      LEU 213  -7.102  16.913  13.157
  685    H    LYS 214           H        LYS 214 -10.058  19.885  10.408
  686    HA   LYS 214           HA       LYS 214 -12.518  20.472  11.902
  687    HB2  LYS 214           HB2      LYS 214 -10.710  22.551  10.637
  688    HB3  LYS 214           HB1      LYS 214 -12.290  22.872  11.341
  689    HG2  LYS 214           HG2      LYS 214 -11.513  22.363  13.526
  690    HG3  LYS 214           HG1      LYS 214  -9.994  21.720  12.901
  691    HD2  LYS 214           HD2      LYS 214  -9.400  23.957  12.078
  692    HD3  LYS 214           HD1      LYS 214 -10.908  24.590  12.738
  693    HE2  LYS 214           HE2      LYS 214 -10.216  24.041  14.978
  694    HE3  LYS 214           HE1      LYS 214  -8.769  23.236  14.371
  695    HZ1  LYS 214           HZ1      LYS 214  -9.369  26.129  14.052
  696    HZ2  LYS 214           HZ2      LYS 214  -7.951  25.337  13.562
  697    HZ3  LYS 214           HZ3      LYS 214  -8.317  25.476  15.212
  698    H    ALA 215           H        ALA 215 -14.018  21.810  10.374
  699    HA   ALA 215           HA       ALA 215 -13.938  20.534   7.727
  700    HB1  ALA 215           HB1      ALA 215 -15.990  20.218   9.024
  701    HB2  ALA 215           HB2      ALA 215 -16.299  21.150   7.559
  702    HB3  ALA 215           HB3      ALA 215 -16.204  21.968   9.118
  703    H    ASP 216           H        ASP 216 -14.595  23.677   9.239
  704    HA   ASP 216           HA       ASP 216 -14.135  25.047   6.728
  705    HB2  ASP 216           HB2      ASP 216 -14.674  27.100   8.050
  706    HB3  ASP 216           HB1      ASP 216 -15.949  25.889   8.066
  707    H    SER 217           H        SER 217 -11.973  24.620   6.345
  708    HA   SER 217           HA       SER 217 -10.014  25.564   8.278
  709    HB2  SER 217           HB2      SER 217  -8.399  24.676   6.483
  710    HB3  SER 217           HB1      SER 217  -9.409  23.490   7.315
  711    HG   SER 217           HG       SER 217  -9.222  23.758   4.760
  712    H    GLY 218           H        GLY 218  -9.923  25.861   4.756
  713    HA2  GLY 218           HA2      GLY 218  -9.922  28.776   4.948
  714    HA3  GLY 218           HA1      GLY 218  -8.460  28.011   4.336
  715    H    VAL 219           H        VAL 219 -11.709  28.915   3.662
  716    HA   VAL 219           HA       VAL 219 -11.619  27.620   1.029
  717    HB   VAL 219           HB       VAL 219 -13.985  28.222   0.813
  718   HG11  VAL 219          1HG1      VAL 219 -13.345  26.850   3.420
  719   HG12  VAL 219          2HG1      VAL 219 -13.417  26.091   1.829
  720   HG13  VAL 219          3HG1      VAL 219 -14.880  26.754   2.557
  721   HG21  VAL 219          3HG2      VAL 219 -13.748  29.361   3.597
  722   HG22  VAL 219          1HG2      VAL 219 -15.227  29.215   2.649
  723   HG23  VAL 219          2HG2      VAL 219 -13.943  30.303   2.120
  724    H    HIS 220           H        HIS 220 -12.255  28.907  -0.863
  725    HA   HIS 220           HA       HIS 220 -11.886  31.783  -0.613
  726    HB2  HIS 220           HB2      HIS 220  -9.596  30.810  -0.916
  727    HB3  HIS 220           HB1      HIS 220 -10.129  30.137  -2.452
  728    HD1  HIS 220           HD1      HIS 220  -9.693  31.562  -4.428
  729    HD2  HIS 220           HD2      HIS 220  -9.809  33.782  -0.917
  730    HE1  HIS 220           HE1      HIS 220  -9.068  33.905  -5.090
  731    HE2  HIS 220           HE2      HIS 220  -9.004  35.202  -2.926
  732    H1   SER 454           HT1      SER 454  11.704   8.330 -26.202
  733    H2   SER 454           HT2      SER 454  12.415   7.119 -27.155
  734    H3   SER 454           HT3      SER 454  13.384   8.117 -26.188
  735    HA   SER 454           HA       SER 454  11.347   6.249 -25.158
  736    HB2  SER 454           HB2      SER 454  13.469   5.018 -24.346
  737    HB3  SER 454           HB1      SER 454  13.028   4.855 -26.045
  738    HG   SER 454           HG       SER 454  15.316   5.696 -25.061
  739    H    ASN 455           H        ASN 455  10.539   7.522 -23.557
  740    HA   ASN 455           HA       ASN 455  12.375   9.122 -21.959
  741    HB2  ASN 455           HB2      ASN 455  10.255  10.138 -22.700
  742    HB3  ASN 455           HB1      ASN 455   9.360   8.911 -21.808
  743   HD21  ASN 455          1HD2      ASN 455  11.309  11.776 -21.583
  744   HD22  ASN 455          2HD2      ASN 455  11.005  12.100 -19.908
  745    H    ALA 456           H        ALA 456  13.091   8.574 -20.034
  746    HA   ALA 456           HA       ALA 456  11.631   6.574 -18.459
  747    HB1  ALA 456           HB1      ALA 456  13.565   5.472 -19.487
  748    HB2  ALA 456           HB2      ALA 456  13.750   5.591 -17.736
  749    HB3  ALA 456           HB3      ALA 456  14.629   6.695 -18.794
  750    H    SER 457           H        SER 457  10.764   8.042 -17.059
  751    HA   SER 457           HA       SER 457  12.687   9.535 -15.418
  752    HB2  SER 457           HB2      SER 457  10.986  11.412 -15.345
  753    HB3  SER 457           HB1      SER 457  11.783  11.187 -16.903
  754    HG   SER 457           HG       SER 457   9.959  10.377 -17.753
  755    H    LYS 458           H        LYS 458  12.409   9.241 -13.299
  756    HA   LYS 458           HA       LYS 458   9.724   8.600 -12.315
  757    HB2  LYS 458           HB2      LYS 458  12.270   7.154 -11.537
  758    HB3  LYS 458           HB1      LYS 458  10.752   7.012 -10.660
  759    HG2  LYS 458           HG2      LYS 458   9.687   6.164 -12.725
  760    HG3  LYS 458           HG1      LYS 458  11.257   6.211 -13.521
  761    HD2  LYS 458           HD2      LYS 458  12.125   4.601 -11.879
  762    HD3  LYS 458           HD1      LYS 458  10.540   4.553 -11.102
  763    HE2  LYS 458           HE2      LYS 458   9.559   3.764 -13.224
  764    HE3  LYS 458           HE1      LYS 458  11.168   3.744 -13.940
  765    HZ1  LYS 458           HZ1      LYS 458  10.278   2.099 -11.629
  766    HZ2  LYS 458           HZ2      LYS 458  11.828   2.073 -12.313
  767    HZ3  LYS 458           HZ3      LYS 458  10.491   1.551 -13.218
  768    H    HIS 459           H        HIS 459   9.203   9.550 -10.375
  769    HA   HIS 459           HA       HIS 459  10.802  11.883  -9.787
  770    HB2  HIS 459           HB2      HIS 459   8.132  10.960  -8.706
  771    HB3  HIS 459           HB1      HIS 459   8.902  12.481  -8.269
  772    HD1  HIS 459           HD1      HIS 459   8.542  14.445  -9.831
  773    HD2  HIS 459           HD2      HIS 459   7.309  10.816 -11.459
  774    HE1  HIS 459           HE1      HIS 459   7.309  15.027 -11.949
  775    HE2  HIS 459           HE2      HIS 459   6.381  12.834 -12.784
  776    H    GLY 460           H        GLY 460  11.460  12.491  -7.663
  777    HA2  GLY 460           HA2      GLY 460  11.600  11.778  -5.290
  778    HA3  GLY 460           HA1      GLY 460  11.930  10.163  -5.903
  779    H    VAL 461           H        VAL 461  13.690  11.089  -4.146
  780    HA   VAL 461           HA       VAL 461  15.852  12.484  -5.498
  781    HB   VAL 461           HB       VAL 461  17.082  12.316  -3.385
  782   HG11  VAL 461          1HG1      VAL 461  15.587  13.676  -2.002
  783   HG12  VAL 461          2HG1      VAL 461  14.225  13.209  -3.020
  784   HG13  VAL 461          3HG1      VAL 461  15.540  14.171  -3.695
  785   HG21  VAL 461          3HG2      VAL 461  14.695  10.756  -2.392
  786   HG22  VAL 461          1HG2      VAL 461  16.030  11.335  -1.396
  787   HG23  VAL 461          2HG2      VAL 461  16.322  10.124  -2.645
  788    H    GLY 462           H        GLY 462  14.882   9.239  -4.894
  789    HA2  GLY 462           HA2      GLY 462  16.194   7.900  -6.710
  790    HA3  GLY 462           HA1      GLY 462  17.546   8.244  -5.645
  791    H    THR 463           H        THR 463  16.166   7.947  -3.178
  792    HA   THR 463           HA       THR 463  16.488   5.134  -2.895
  793    HB   THR 463           HB       THR 463  17.123   6.707  -1.116
  794    HG1  THR 463           HG1      THR 463  16.851   4.793  -0.185
  795   HG21  THR 463          3HG2      THR 463  14.152   7.122  -0.772
  796   HG22  THR 463          1HG2      THR 463  15.313   8.323  -1.336
  797   HG23  THR 463          2HG2      THR 463  15.404   7.718   0.318
  798    H    GLU 464           H        GLU 464  13.761   7.235  -3.364
  799    HA   GLU 464           HA       GLU 464  11.721   5.475  -2.489
  800    HB2  GLU 464           HB2      GLU 464  11.455   7.541  -4.679
  801    HB3  GLU 464           HB1      GLU 464  10.191   6.928  -3.624
  802    HG2  GLU 464           HG2      GLU 464  10.566   8.919  -2.616
  803    HG3  GLU 464           HG1      GLU 464  11.763   7.951  -1.757
  804    H    SER 465           H        SER 465  12.990   6.221  -5.721
  805    HA   SER 465           HA       SER 465  11.529   4.249  -7.098
  806    HB2  SER 465           HB2      SER 465  12.711   6.209  -8.146
  807    HB3  SER 465           HB1      SER 465  14.236   5.374  -7.863
  808    HG   SER 465           HG       SER 465  12.382   3.809  -9.134
  809    H    LEU 466           H        LEU 466  14.622   4.210  -5.432
  810    HA   LEU 466           HA       LEU 466  15.536   1.672  -6.159
  811    HB2  LEU 466           HB2      LEU 466  16.830   3.362  -4.884
  812    HB3  LEU 466           HB1      LEU 466  15.813   3.064  -3.491
  813    HG   LEU 466           HG       LEU 466  16.630   0.694  -3.489
  814   HD11  LEU 466          1HD1      LEU 466  18.670   0.187  -4.732
  815   HD12  LEU 466          2HD1      LEU 466  18.589   1.769  -5.511
  816   HD13  LEU 466          3HD1      LEU 466  17.335   0.567  -5.819
  817   HD21  LEU 466          3HD2      LEU 466  18.727   2.841  -3.210
  818   HD22  LEU 466          1HD2      LEU 466  18.789   1.233  -2.490
  819   HD23  LEU 466          2HD2      LEU 466  17.550   2.380  -1.979
  820    H    PHE 467           H        PHE 467  13.578   2.661  -3.352
  821    HA   PHE 467           HA       PHE 467  12.958   0.192  -2.293
  822    HB2  PHE 467           HB2      PHE 467  12.321   2.175  -1.137
  823    HB3  PHE 467           HB1      PHE 467  11.334   2.726  -2.484
  824    HD1  PHE 467           HD1      PHE 467  11.579   0.041   0.074
  825    HD2  PHE 467           HD2      PHE 467   9.064   2.272  -2.531
  826    HE1  PHE 467           HE1      PHE 467   9.598  -0.970   1.124
  827    HE2  PHE 467           HE2      PHE 467   7.078   1.261  -1.492
  828    HZ   PHE 467           HZ       PHE 467   7.344  -0.362   0.339
  829    H    PHE 468           H        PHE 468  11.126   1.944  -4.809
  830    HA   PHE 468           HA       PHE 468   9.104   0.002  -5.052
  831    HB2  PHE 468           HB2      PHE 468  10.038   2.089  -7.025
  832    HB3  PHE 468           HB1      PHE 468   8.582   1.119  -7.224
  833    HD1  PHE 468           HD2      PHE 468   7.248   1.086  -4.765
  834    HD2  PHE 468           HD1      PHE 468   9.543   4.245  -6.448
  835    HE1  PHE 468           HE2      PHE 468   5.989   2.717  -3.419
  836    HE2  PHE 468           HE1      PHE 468   8.291   5.876  -5.105
  837    HZ   PHE 468           HZ       PHE 468   6.513   5.114  -3.589
  838    H    ASP 469           H        ASP 469  12.199   0.355  -6.714
  839    HA   ASP 469           HA       ASP 469  11.702  -1.662  -8.656
  840    HB2  ASP 469           HB2      ASP 469  13.594   0.143  -8.558
  841    HB3  ASP 469           HB1      ASP 469  14.463  -1.072  -7.624
  842    H    LYS 470           H        LYS 470  13.129  -1.664  -5.433
  843    HA   LYS 470           HA       LYS 470  13.833  -4.371  -5.248
  844    HB2  LYS 470           HB2      LYS 470  12.869  -2.445  -3.127
  845    HB3  LYS 470           HB1      LYS 470  13.483  -4.052  -2.773
  846    HG2  LYS 470           HG2      LYS 470  15.652  -3.477  -3.596
  847    HG3  LYS 470           HG1      LYS 470  15.064  -1.921  -4.193
  848    HD2  LYS 470           HD2      LYS 470  14.616  -1.180  -1.938
  849    HD3  LYS 470           HD1      LYS 470  15.055  -2.763  -1.293
  850    HE2  LYS 470           HE2      LYS 470  16.944  -0.998  -2.836
  851    HE3  LYS 470           HE1      LYS 470  16.816  -0.991  -1.078
  852    HZ1  LYS 470           HZ1      LYS 470  17.525  -3.255  -0.996
  853    HZ2  LYS 470           HZ2      LYS 470  18.628  -2.402  -1.962
  854    HZ3  LYS 470           HZ3      LYS 470  17.467  -3.404  -2.684
  855    H    VAL 471           H        VAL 471  10.817  -2.726  -4.333
  856    HA   VAL 471           HA       VAL 471   9.335  -4.932  -3.503
  857    HB   VAL 471           HB       VAL 471   8.311  -2.497  -4.985
  858   HG11  VAL 471          1HG1      VAL 471   6.658  -4.269  -4.936
  859   HG12  VAL 471          2HG1      VAL 471   6.183  -2.960  -3.854
  860   HG13  VAL 471          3HG1      VAL 471   6.868  -4.446  -3.194
  861   HG21  VAL 471          3HG2      VAL 471   8.612  -2.965  -2.023
  862   HG22  VAL 471          1HG2      VAL 471   7.881  -1.548  -2.780
  863   HG23  VAL 471          2HG2      VAL 471   9.597  -1.884  -3.008
  864    H    ARG 472           H        ARG 472   9.658  -3.492  -6.701
  865    HA   ARG 472           HA       ARG 472   7.874  -5.119  -8.097
  866    HB2  ARG 472           HB2      ARG 472   9.117  -2.943  -8.768
  867    HB3  ARG 472           HB1      ARG 472  10.382  -4.017  -9.328
  868    HG2  ARG 472           HG2      ARG 472   8.762  -5.097 -10.800
  869    HG3  ARG 472           HG1      ARG 472   7.529  -3.960 -10.256
  870    HD2  ARG 472           HD2      ARG 472   8.520  -3.309 -12.406
  871    HD3  ARG 472           HD1      ARG 472   8.782  -2.109 -11.142
  872    HE   ARG 472           HE       ARG 472  11.045  -3.587 -11.049
  873   HH11  ARG 472          1HH1      ARG 472   9.322  -2.078 -13.700
  874   HH12  ARG 472          2HH1      ARG 472  10.772  -1.716 -14.594
  875   HH21  ARG 472          1HH2      ARG 472  12.942  -3.106 -12.229
  876   HH22  ARG 472          2HH2      ARG 472  12.818  -2.319 -13.770
  877    H    LYS 473           H        LYS 473  11.222  -5.617  -7.189
  878    HA   LYS 473           HA       LYS 473  11.518  -7.949  -8.892
  879    HB2  LYS 473           HB2      LYS 473  13.373  -6.327  -8.455
  880    HB3  LYS 473           HB1      LYS 473  13.398  -6.872  -6.785
  881    HG2  LYS 473           HG2      LYS 473  13.906  -9.172  -7.624
  882    HG3  LYS 473           HG1      LYS 473  14.075  -8.480  -9.240
  883    HD2  LYS 473           HD2      LYS 473  15.789  -6.913  -8.274
  884    HD3  LYS 473           HD1      LYS 473  15.713  -7.859  -6.788
  885    HE2  LYS 473           HE2      LYS 473  16.545  -8.839  -9.517
  886    HE3  LYS 473           HE1      LYS 473  17.594  -8.575  -8.127
  887    HZ1  LYS 473           HZ1      LYS 473  16.273 -10.314  -6.953
  888    HZ2  LYS 473           HZ2      LYS 473  17.150 -10.886  -8.287
  889    HZ3  LYS 473           HZ3      LYS 473  15.482 -10.636  -8.417
  890    H    ALA 474           H        ALA 474  11.413  -7.264  -5.401
  891    HA   ALA 474           HA       ALA 474  12.004  -9.918  -4.605
  892    HB1  ALA 474           HB1      ALA 474  12.461  -7.945  -3.218
  893    HB2  ALA 474           HB2      ALA 474  11.523  -9.166  -2.359
  894    HB3  ALA 474           HB3      ALA 474  10.727  -7.722  -2.986
  895    H    LEU 475           H        LEU 475   8.968  -8.236  -5.178
  896    HA   LEU 475           HA       LEU 475   7.308 -10.107  -3.855
  897    HB2  LEU 475           HB2      LEU 475   6.917  -7.857  -5.721
  898    HB3  LEU 475           HB1      LEU 475   5.658  -9.076  -5.743
  899    HG   LEU 475           HG       LEU 475   5.185  -8.733  -3.406
  900   HD11  LEU 475          1HD1      LEU 475   7.449  -8.345  -2.605
  901   HD12  LEU 475          2HD1      LEU 475   6.368  -7.058  -2.074
  902   HD13  LEU 475          3HD1      LEU 475   7.482  -6.779  -3.414
  903   HD21  LEU 475          3HD2      LEU 475   5.472  -6.094  -4.839
  904   HD22  LEU 475          1HD2      LEU 475   4.443  -6.405  -3.441
  905   HD23  LEU 475          2HD2      LEU 475   4.112  -7.209  -4.975
  906    H    ARG 476           H        ARG 476   8.917 -10.191  -6.886
  907    HA   ARG 476           HA       ARG 476   9.180 -11.817  -8.445
  908    HB2  ARG 476           HB2      ARG 476   7.705 -13.500  -6.429
  909    HB3  ARG 476           HB1      ARG 476   8.454 -14.134  -7.887
  910    HG2  ARG 476           HG2      ARG 476  10.636 -13.253  -7.059
  911    HG3  ARG 476           HG1      ARG 476   9.830 -12.844  -5.542
  912    HD2  ARG 476           HD2      ARG 476  10.951 -14.994  -5.358
  913    HD3  ARG 476           HD1      ARG 476   9.203 -15.198  -5.252
  914    HE   ARG 476           HE       ARG 476  10.222 -15.527  -7.916
  915   HH11  ARG 476          1HH1      ARG 476   9.636 -17.172  -4.870
  916   HH12  ARG 476          2HH1      ARG 476   9.559 -18.748  -5.611
  917   HH21  ARG 476          1HH2      ARG 476  10.120 -17.589  -8.865
  918   HH22  ARG 476          2HH2      ARG 476   9.817 -18.981  -7.868
  919    H    SER 477           H        SER 477   6.294 -10.490  -7.800
  920    HA   SER 477           HA       SER 477   5.040 -11.790 -10.107
  921    HB2  SER 477           HB2      SER 477   4.004 -12.767  -8.140
  922    HB3  SER 477           HB1      SER 477   3.710 -11.170  -7.459
  923    HG   SER 477           HG       SER 477   2.236 -12.584  -9.230
  924    H    ALA 478           H        ALA 478   4.319 -10.410 -11.576
  925    HA   ALA 478           HA       ALA 478   4.571  -7.605 -11.295
  926    HB1  ALA 478           HB1      ALA 478   3.448  -7.487 -13.474
  927    HB2  ALA 478           HB2      ALA 478   3.036  -9.198 -13.347
  928    HB3  ALA 478           HB3      ALA 478   4.725  -8.705 -13.463
  929    H    GLU 479           H        GLU 479   1.814  -9.825 -11.078
  930    HA   GLU 479           HA       GLU 479  -0.165  -7.827 -10.747
  931    HB2  GLU 479           HB2      GLU 479  -0.097 -10.726  -9.919
  932    HB3  GLU 479           HB1      GLU 479  -1.500  -9.694  -9.679
  933    HG2  GLU 479           HG2      GLU 479  -1.504  -9.268 -12.138
  934    HG3  GLU 479           HG1      GLU 479  -0.246 -10.497 -12.286
  935    H    ALA 480           H        ALA 480   2.021  -9.405  -8.512
  936    HA   ALA 480           HA       ALA 480   0.833  -8.504  -6.116
  937    HB1  ALA 480           HB1      ALA 480   2.554 -10.267  -6.215
  938    HB2  ALA 480           HB2      ALA 480   2.960  -8.993  -5.066
  939    HB3  ALA 480           HB3      ALA 480   3.754  -9.046  -6.640
  940    H    TYR 481           H        TYR 481   3.417  -7.141  -8.130
  941    HA   TYR 481           HA       TYR 481   3.745  -4.761  -6.638
  942    HB2  TYR 481           HB2      TYR 481   5.411  -5.602  -8.254
  943    HB3  TYR 481           HB1      TYR 481   4.293  -5.281  -9.573
  944    HD1  TYR 481           HD1      TYR 481   6.006  -3.521  -6.756
  945    HD2  TYR 481           HD2      TYR 481   4.475  -3.269 -10.719
  946    HE1  TYR 481           HE1      TYR 481   6.944  -1.258  -6.970
  947    HE2  TYR 481           HE2      TYR 481   5.410  -1.007 -10.943
  948    HH   TYR 481           HH       TYR 481   6.109   0.847  -9.508
  949    H    GLU 482           H        GLU 482   1.661  -5.682  -9.307
  950    HA   GLU 482           HA       GLU 482   0.508  -3.176  -9.848
  951    HB2  GLU 482           HB2      GLU 482   0.275  -5.157 -11.300
  952    HB3  GLU 482           HB1      GLU 482  -0.715  -5.934 -10.073
  953    HG2  GLU 482           HG2      GLU 482  -2.322  -4.024 -10.309
  954    HG3  GLU 482           HG1      GLU 482  -1.379  -3.503 -11.706
  955    H    ASN 483           H        ASN 483  -0.262  -5.680  -7.480
  956    HA   ASN 483           HA       ASN 483  -2.663  -4.453  -6.572
  957    HB2  ASN 483           HB2      ASN 483  -2.089  -6.895  -6.345
  958    HB3  ASN 483           HB1      ASN 483  -0.932  -6.446  -5.094
  959   HD21  ASN 483          1HD2      ASN 483  -1.671  -5.739  -3.114
  960   HD22  ASN 483          2HD2      ASN 483  -3.309  -5.933  -2.622
  961    H    PHE 484           H        PHE 484   0.717  -4.288  -5.654
  962    HA   PHE 484           HA       PHE 484   0.475  -2.717  -3.342
  963    HB2  PHE 484           HB2      PHE 484   2.612  -3.650  -3.955
  964    HB3  PHE 484           HB1      PHE 484   2.603  -2.798  -5.494
  965    HD1  PHE 484           HD2      PHE 484   2.552  -2.143  -1.827
  966    HD2  PHE 484           HD1      PHE 484   3.758  -0.815  -5.689
  967    HE1  PHE 484           HE2      PHE 484   3.804  -0.294  -0.795
  968    HE2  PHE 484           HE1      PHE 484   5.011   1.038  -4.662
  969    HZ   PHE 484           HZ       PHE 484   5.036   1.300  -2.212
  970    H    LEU 485           H        LEU 485   0.839  -1.772  -6.741
  971    HA   LEU 485           HA       LEU 485   0.512   1.003  -6.349
  972    HB2  LEU 485           HB2      LEU 485  -0.139  -0.632  -8.801
  973    HB3  LEU 485           HB1      LEU 485   0.129   1.100  -8.753
  974    HG   LEU 485           HG       LEU 485   2.199  -1.017  -8.170
  975   HD11  LEU 485          1HD1      LEU 485   1.616  -0.897 -10.526
  976   HD12  LEU 485          2HD1      LEU 485   3.235  -0.257 -10.238
  977   HD13  LEU 485          3HD1      LEU 485   1.887   0.846 -10.513
  978   HD21  LEU 485          3HD2      LEU 485   3.783   0.841  -8.126
  979   HD22  LEU 485          1HD2      LEU 485   2.576   0.989  -6.849
  980   HD23  LEU 485          2HD2      LEU 485   2.452   1.984  -8.301
  981    H    ARG 486           H        ARG 486  -1.722  -1.627  -6.730
  982    HA   ARG 486           HA       ARG 486  -4.108  -0.257  -7.227
  983    HB2  ARG 486           HB2      ARG 486  -3.494  -2.821  -7.048
  984    HB3  ARG 486           HB1      ARG 486  -4.015  -2.616  -5.384
  985    HG2  ARG 486           HG2      ARG 486  -5.962  -3.299  -6.318
  986    HG3  ARG 486           HG1      ARG 486  -6.131  -1.558  -6.536
  987    HD2  ARG 486           HD2      ARG 486  -6.729  -2.781  -8.569
  988    HD3  ARG 486           HD1      ARG 486  -5.334  -1.738  -8.823
  989    HE   ARG 486           HE       ARG 486  -4.307  -3.608  -9.580
  990   HH11  ARG 486          1HH1      ARG 486  -6.366  -4.634  -6.921
  991   HH12  ARG 486          2HH1      ARG 486  -5.868  -6.289  -7.018
  992   HH21  ARG 486          1HH2      ARG 486  -3.740  -5.811  -9.765
  993   HH22  ARG 486          2HH2      ARG 486  -4.386  -6.956  -8.629
  994    H    CYS 487           H        CYS 487  -2.637  -1.257  -4.137
  995    HA   CYS 487           HA       CYS 487  -4.452   0.057  -2.452
  996    HB2  CYS 487           HB2      CYS 487  -1.525  -0.484  -1.921
  997    HB3  CYS 487           HB1      CYS 487  -2.791  -0.252  -0.718
  998    HG   CYS 487           HG       CYS 487  -2.464  -2.919  -2.839
  999    H    LEU 488           H        LEU 488  -1.637   1.199  -4.213
 1000    HA   LEU 488           HA       LEU 488  -1.350   3.640  -2.808
 1001    HB2  LEU 488           HB2      LEU 488  -0.523   2.906  -5.611
 1002    HB3  LEU 488           HB1      LEU 488  -0.045   4.366  -4.778
 1003    HG   LEU 488           HG       LEU 488   0.758   1.540  -4.138
 1004   HD11  LEU 488          1HD1      LEU 488   3.003   2.399  -4.480
 1005   HD12  LEU 488          2HD1      LEU 488   2.362   4.015  -4.779
 1006   HD13  LEU 488          3HD1      LEU 488   2.007   2.701  -5.905
 1007   HD21  LEU 488          3HD2      LEU 488   1.972   2.448  -2.216
 1008   HD22  LEU 488          1HD2      LEU 488   0.229   2.662  -2.045
 1009   HD23  LEU 488          2HD2      LEU 488   1.243   4.028  -2.509
 1010    H    VAL 489           H        VAL 489  -3.088   2.803  -5.822
 1011    HA   VAL 489           HA       VAL 489  -3.863   5.473  -6.345
 1012    HB   VAL 489           HB       VAL 489  -5.633   4.522  -7.826
 1013   HG11  VAL 489          1HG1      VAL 489  -2.834   3.469  -8.199
 1014   HG12  VAL 489          2HG1      VAL 489  -3.433   5.053  -8.691
 1015   HG13  VAL 489          3HG1      VAL 489  -4.054   3.594  -9.465
 1016   HG21  VAL 489          3HG2      VAL 489  -4.474   1.889  -6.934
 1017   HG22  VAL 489          1HG2      VAL 489  -5.545   2.106  -8.319
 1018   HG23  VAL 489          2HG2      VAL 489  -6.128   2.461  -6.693
 1019    H    ILE 490           H        ILE 490  -5.509   2.838  -4.583
 1020    HA   ILE 490           HA       ILE 490  -7.839   4.400  -4.110
 1021    HB   ILE 490           HB       ILE 490  -8.407   2.826  -2.315
 1022   HG12  ILE 490          2HG1      ILE 490  -5.750   1.521  -2.927
 1023   HG13  ILE 490          1HG1      ILE 490  -6.111   2.439  -1.467
 1024   HG21  ILE 490          1HG2      ILE 490  -8.580   0.824  -3.696
 1025   HG22  ILE 490          2HG2      ILE 490  -7.396   1.499  -4.818
 1026   HG23  ILE 490          3HG2      ILE 490  -8.961   2.283  -4.613
 1027   HD11  ILE 490          3HD1      ILE 490  -7.849   0.810  -0.892
 1028   HD12  ILE 490          1HD1      ILE 490  -6.254   0.069  -1.041
 1029   HD13  ILE 490          2HD1      ILE 490  -7.435  -0.116  -2.336
 1030    H    PHE 491           H        PHE 491  -4.764   4.114  -2.441
 1031    HA   PHE 491           HA       PHE 491  -5.431   5.580  -0.126
 1032    HB2  PHE 491           HB2      PHE 491  -3.364   4.288  -0.280
 1033    HB3  PHE 491           HB1      PHE 491  -2.788   5.319  -1.582
 1034    HD1  PHE 491           HD1      PHE 491  -3.698   5.314   2.009
 1035    HD2  PHE 491           HD2      PHE 491  -1.588   7.272  -1.126
 1036    HE1  PHE 491           HE1      PHE 491  -2.624   6.788   3.657
 1037    HE2  PHE 491           HE2      PHE 491  -0.508   8.751   0.519
 1038    HZ   PHE 491           HZ       PHE 491  -1.030   8.513   2.912
 1039    H    ASN 492           H        ASN 492  -4.240   6.552  -3.296
 1040    HA   ASN 492           HA       ASN 492  -3.859   9.289  -2.750
 1041    HB2  ASN 492           HB2      ASN 492  -2.931   8.090  -4.717
 1042    HB3  ASN 492           HB1      ASN 492  -4.552   7.981  -5.393
 1043   HD21  ASN 492          1HD2      ASN 492  -4.076   9.163  -7.221
 1044   HD22  ASN 492          2HD2      ASN 492  -3.740  10.860  -7.175
 1045    H    GLN 493           H        GLN 493  -6.706   7.444  -3.533
 1046    HA   GLN 493           HA       GLN 493  -8.269   9.858  -4.040
 1047    HB2  GLN 493           HB2      GLN 493  -9.147   6.969  -4.157
 1048    HB3  GLN 493           HB1      GLN 493 -10.029   8.362  -4.770
 1049    HG2  GLN 493           HG2      GLN 493  -8.293   8.754  -6.427
 1050    HG3  GLN 493           HG1      GLN 493  -7.368   7.393  -5.796
 1051   HE21  GLN 493          1HE2      GLN 493  -8.342   7.782  -8.462
 1052   HE22  GLN 493          2HE2      GLN 493  -9.396   6.457  -8.811
 1053    H    GLU 494           H        GLU 494  -7.179   8.813  -1.373
 1054    HA   GLU 494           HA       GLU 494  -7.751   8.842   0.799
 1055    HB2  GLU 494           HB2      GLU 494  -8.941  10.981  -0.214
 1056    HB3  GLU 494           HB1      GLU 494 -10.393  10.092   0.234
 1057    HG2  GLU 494           HG2      GLU 494  -9.338   9.831   2.524
 1058    HG3  GLU 494           HG1      GLU 494  -8.179  11.051   2.003
 1059    H    VAL 495           H        VAL 495  -8.676   6.582  -0.904
 1060    HA   VAL 495           HA       VAL 495 -11.154   5.718   0.290
 1061    HB   VAL 495           HB       VAL 495  -9.118   4.153  -1.316
 1062   HG11  VAL 495          1HG1      VAL 495 -10.916   2.509  -1.615
 1063   HG12  VAL 495          2HG1      VAL 495 -11.932   3.431  -0.506
 1064   HG13  VAL 495          3HG1      VAL 495 -10.446   2.679   0.077
 1065   HG21  VAL 495          3HG2      VAL 495 -10.732   4.395  -3.164
 1066   HG22  VAL 495          1HG2      VAL 495 -10.112   5.951  -2.617
 1067   HG23  VAL 495          2HG2      VAL 495 -11.729   5.429  -2.143
 1068    H    ILE 496           H        ILE 496  -7.714   5.040   0.686
 1069    HA   ILE 496           HA       ILE 496  -8.337   3.858   3.309
 1070    HB   ILE 496           HB       ILE 496  -6.379   2.414   3.129
 1071   HG12  ILE 496          2HG1      ILE 496  -6.148   3.329   0.257
 1072   HG13  ILE 496          1HG1      ILE 496  -5.120   3.927   1.556
 1073   HG21  ILE 496          1HG2      ILE 496  -7.233   0.822   1.510
 1074   HG22  ILE 496          2HG2      ILE 496  -8.201   2.085   0.748
 1075   HG23  ILE 496          3HG2      ILE 496  -8.560   1.569   2.398
 1076   HD11  ILE 496          3HD1      ILE 496  -4.297   1.662   1.939
 1077   HD12  ILE 496          1HD1      ILE 496  -4.004   2.197   0.284
 1078   HD13  ILE 496          2HD1      ILE 496  -5.321   1.074   0.629
 1079    H    SER 497           H        SER 497  -6.779   4.277   4.967
 1080    HA   SER 497           HA       SER 497  -5.243   6.726   4.464
 1081    HB2  SER 497           HB2      SER 497  -6.978   6.700   6.290
 1082    HB3  SER 497           HB1      SER 497  -5.995   5.502   7.130
 1083    HG   SER 497           HG       SER 497  -5.633   7.688   7.824
 1084    H    ARG 498           H        ARG 498  -3.452   6.614   6.535
 1085    HA   ARG 498           HA       ARG 498  -1.291   5.290   5.390
 1086    HB2  ARG 498           HB2      ARG 498  -1.052   7.169   6.956
 1087    HB3  ARG 498           HB1      ARG 498  -1.635   6.155   8.268
 1088    HG2  ARG 498           HG2      ARG 498   0.390   4.629   7.509
 1089    HG3  ARG 498           HG1      ARG 498   0.998   6.175   6.908
 1090    HD2  ARG 498           HD2      ARG 498   0.143   5.560   9.732
 1091    HD3  ARG 498           HD1      ARG 498   1.797   5.752   9.163
 1092    HE   ARG 498           HE       ARG 498   0.661   8.112   8.507
 1093   HH11  ARG 498          1HH1      ARG 498   0.692   6.259  11.474
 1094   HH12  ARG 498          2HH1      ARG 498   0.691   7.658  12.506
 1095   HH21  ARG 498          1HH2      ARG 498   0.637   9.963   9.852
 1096   HH22  ARG 498          2HH2      ARG 498   0.638   9.769  11.586
 1097    H    ALA 499           H        ALA 499  -3.078   4.401   8.340
 1098    HA   ALA 499           HA       ALA 499  -1.656   2.117   8.994
 1099    HB1  ALA 499           HB1      ALA 499  -3.609   1.445  10.298
 1100    HB2  ALA 499           HB2      ALA 499  -4.589   2.642   9.454
 1101    HB3  ALA 499           HB3      ALA 499  -3.264   3.164  10.495
 1102    H    GLU 500           H        GLU 500  -4.642   2.334   7.053
 1103    HA   GLU 500           HA       GLU 500  -4.869  -0.398   6.509
 1104    HB2  GLU 500           HB2      GLU 500  -5.734   1.901   4.752
 1105    HB3  GLU 500           HB1      GLU 500  -6.302   0.243   4.626
 1106    HG2  GLU 500           HG2      GLU 500  -8.013   1.070   5.831
 1107    HG3  GLU 500           HG1      GLU 500  -6.931   0.705   7.174
 1108    H    LEU 501           H        LEU 501  -3.236   2.160   4.660
 1109    HA   LEU 501           HA       LEU 501  -2.488   0.632   2.447
 1110    HB2  LEU 501           HB2      LEU 501  -2.323   3.061   2.513
 1111    HB3  LEU 501           HB1      LEU 501  -1.069   2.963   3.732
 1112    HG   LEU 501           HG       LEU 501   0.409   1.846   2.080
 1113   HD11  LEU 501          1HD1      LEU 501  -0.203   1.875  -0.279
 1114   HD12  LEU 501          2HD1      LEU 501  -1.804   2.487   0.137
 1115   HD13  LEU 501          3HD1      LEU 501  -1.315   0.872   0.654
 1116   HD21  LEU 501          3HD2      LEU 501   0.841   3.854   0.736
 1117   HD22  LEU 501          1HD2      LEU 501   0.570   4.238   2.436
 1118   HD23  LEU 501          2HD2      LEU 501  -0.708   4.520   1.253
 1119    H    VAL 502           H        VAL 502  -0.791   1.179   5.502
 1120    HA   VAL 502           HA       VAL 502   1.539  -0.289   4.818
 1121    HB   VAL 502           HB       VAL 502   0.427   0.316   7.566
 1122   HG11  VAL 502          1HG1      VAL 502   2.110  -1.419   7.673
 1123   HG12  VAL 502          2HG1      VAL 502   2.764   0.090   8.311
 1124   HG13  VAL 502          3HG1      VAL 502   3.209  -0.449   6.692
 1125   HG21  VAL 502          3HG2      VAL 502   1.968   2.230   7.542
 1126   HG22  VAL 502          1HG2      VAL 502   0.738   2.351   6.283
 1127   HG23  VAL 502          2HG2      VAL 502   2.380   1.861   5.867
 1128    H    GLN 503           H        GLN 503  -1.521  -1.143   6.296
 1129    HA   GLN 503           HA       GLN 503  -0.673  -3.747   7.136
 1130    HB2  GLN 503           HB2      GLN 503  -3.310  -2.323   7.043
 1131    HB3  GLN 503           HB1      GLN 503  -3.217  -4.029   7.456
 1132    HG2  GLN 503           HG2      GLN 503  -1.866  -3.556   9.368
 1133    HG3  GLN 503           HG1      GLN 503  -1.731  -1.856   8.911
 1134   HE21  GLN 503          1HE2      GLN 503  -4.698  -3.608   8.517
 1135   HE22  GLN 503          2HE2      GLN 503  -5.567  -2.825   9.789
 1136    H    LEU 504           H        LEU 504  -2.384  -2.462   4.333
 1137    HA   LEU 504           HA       LEU 504  -3.339  -4.929   3.344
 1138    HB2  LEU 504           HB2      LEU 504  -2.718  -2.342   1.932
 1139    HB3  LEU 504           HB1      LEU 504  -3.461  -3.719   1.145
 1140    HG   LEU 504           HG       LEU 504  -4.651  -2.252   3.496
 1141   HD11  LEU 504          1HD1      LEU 504  -6.225  -1.336   1.886
 1142   HD12  LEU 504          2HD1      LEU 504  -5.371  -2.147   0.571
 1143   HD13  LEU 504          3HD1      LEU 504  -4.575  -0.863   1.481
 1144   HD21  LEU 504          3HD2      LEU 504  -5.760  -4.373   1.670
 1145   HD22  LEU 504          1HD2      LEU 504  -6.653  -3.536   2.943
 1146   HD23  LEU 504          2HD2      LEU 504  -5.304  -4.595   3.362
 1147    H    VAL 505           H        VAL 505  -0.317  -3.209   2.882
 1148    HA   VAL 505           HA       VAL 505   0.569  -5.120   0.887
 1149    HB   VAL 505           HB       VAL 505   1.074  -2.629   0.838
 1150   HG11  VAL 505          1HG1      VAL 505   3.087  -1.892   2.049
 1151   HG12  VAL 505          2HG1      VAL 505   3.090  -3.420   2.932
 1152   HG13  VAL 505          3HG1      VAL 505   1.748  -2.291   3.123
 1153   HG21  VAL 505          3HG2      VAL 505   2.160  -4.213  -0.647
 1154   HG22  VAL 505          1HG2      VAL 505   3.379  -4.552   0.584
 1155   HG23  VAL 505          2HG2      VAL 505   3.287  -2.951  -0.150
 1156    H    SER 506           H        SER 506   0.227  -5.416   4.052
 1157    HA   SER 506           HA       SER 506   2.706  -6.176   5.087
 1158    HB2  SER 506           HB2      SER 506   0.647  -5.799   6.440
 1159    HB3  SER 506           HB1      SER 506   0.014  -7.333   5.846
 1160    HG   SER 506           HG       SER 506   0.967  -7.769   7.784
 1161    HA   PRO 507           HA       PRO 507   1.690 -10.758   3.654
 1162    HB2  PRO 507           HB2      PRO 507  -0.032 -10.213   1.310
 1163    HB3  PRO 507           HB1      PRO 507  -0.155 -11.486   2.527
 1164    HG2  PRO 507           HG2      PRO 507  -1.864  -9.441   2.515
 1165    HG3  PRO 507           HG1      PRO 507  -1.256 -10.114   4.040
 1166    HD2  PRO 507           HD2      PRO 507  -0.421  -7.621   2.605
 1167    HD3  PRO 507           HD1      PRO 507  -0.670  -7.891   4.344
 1168    H    PHE 508           H        PHE 508   2.474  -7.965   1.946
 1169    HA   PHE 508           HA       PHE 508   3.882  -9.459  -0.161
 1170    HB2  PHE 508           HB2      PHE 508   3.116  -6.530  -0.060
 1171    HB3  PHE 508           HB1      PHE 508   3.975  -7.309  -1.382
 1172    HD1  PHE 508           HD2      PHE 508   0.759  -7.211   0.438
 1173    HD2  PHE 508           HD1      PHE 508   2.815  -8.466  -3.070
 1174    HE1  PHE 508           HE2      PHE 508  -1.393  -7.776  -0.612
 1175    HE2  PHE 508           HE1      PHE 508   0.666  -9.030  -4.130
 1176    HZ   PHE 508           HZ       PHE 508  -1.442  -8.686  -2.901
 1177    H    LEU 509           H        LEU 509   4.340  -6.428   1.681
 1178    HA   LEU 509           HA       LEU 509   7.222  -6.740   1.368
 1179    HB2  LEU 509           HB2      LEU 509   5.591  -4.458   2.481
 1180    HB3  LEU 509           HB1      LEU 509   7.333  -4.442   2.278
 1181    HG   LEU 509           HG       LEU 509   5.273  -4.607   0.076
 1182   HD11  LEU 509          1HD1      LEU 509   7.217  -2.432   0.845
 1183   HD12  LEU 509          2HD1      LEU 509   5.465  -2.390   1.051
 1184   HD13  LEU 509          3HD1      LEU 509   6.162  -2.418  -0.568
 1185   HD21  LEU 509          3HD2      LEU 509   7.151  -4.493  -1.468
 1186   HD22  LEU 509          1HD2      LEU 509   7.251  -5.939  -0.464
 1187   HD23  LEU 509          2HD2      LEU 509   8.284  -4.551  -0.117
 1188    H    GLY 510           H        GLY 510   4.860  -7.424   3.685
 1189    HA2  GLY 510           HA2      GLY 510   6.339  -6.875   6.057
 1190    HA3  GLY 510           HA1      GLY 510   4.942  -7.937   5.930
 1191    H    LYS 511           H        LYS 511   6.675  -9.239   3.672
 1192    HA   LYS 511           HA       LYS 511   7.833 -11.280   5.346
 1193    HB2  LYS 511           HB2      LYS 511   8.004 -10.940   2.344
 1194    HB3  LYS 511           HB1      LYS 511   8.377 -12.398   3.251
 1195    HG2  LYS 511           HG2      LYS 511   6.045 -12.606   3.910
 1196    HG3  LYS 511           HG1      LYS 511   5.658 -11.117   3.043
 1197    HD2  LYS 511           HD2      LYS 511   5.051 -12.970   1.650
 1198    HD3  LYS 511           HD1      LYS 511   6.482 -12.205   0.955
 1199    HE2  LYS 511           HE2      LYS 511   6.790 -14.575   0.862
 1200    HE3  LYS 511           HE1      LYS 511   7.873 -13.930   2.095
 1201    HZ1  LYS 511           HZ1      LYS 511   5.286 -15.325   2.546
 1202    HZ2  LYS 511           HZ2      LYS 511   6.190 -14.583   3.776
 1203    HZ3  LYS 511           HZ3      LYS 511   6.836 -15.900   2.927
 1204    H    PHE 512           H        PHE 512   8.809  -8.330   4.070
 1205    HA   PHE 512           HA       PHE 512  11.651  -9.020   4.406
 1206    HB2  PHE 512           HB2      PHE 512  10.526  -6.903   2.553
 1207    HB3  PHE 512           HB1      PHE 512  12.215  -7.370   2.712
 1208    HD1  PHE 512           HD2      PHE 512  13.001  -9.507   1.824
 1209    HD2  PHE 512           HD1      PHE 512   8.991  -8.206   1.258
 1210    HE1  PHE 512           HE2      PHE 512  12.717 -11.177   0.043
 1211    HE2  PHE 512           HE1      PHE 512   8.695  -9.879  -0.521
 1212    HZ   PHE 512           HZ       PHE 512  10.558 -11.368  -1.130
 1213    HA   PRO 513           HA       PRO 513  10.489  -6.228   7.873
 1214    HB2  PRO 513           HB2      PRO 513  13.271  -7.049   8.573
 1215    HB3  PRO 513           HB1      PRO 513  11.831  -6.961   9.595
 1216    HG2  PRO 513           HG2      PRO 513  12.719  -9.307   8.734
 1217    HG3  PRO 513           HG1      PRO 513  10.978  -8.966   8.787
 1218    HD2  PRO 513           HD2      PRO 513  12.827  -9.034   6.443
 1219    HD3  PRO 513           HD1      PRO 513  11.132  -9.552   6.559
 1220    H    GLU 514           H        GLU 514  13.518  -6.253   6.030
 1221    HA   GLU 514           HA       GLU 514  14.343  -3.648   6.859
 1222    HB2  GLU 514           HB2      GLU 514  15.877  -5.425   5.981
 1223    HB3  GLU 514           HB1      GLU 514  15.181  -5.180   4.387
 1224    HG2  GLU 514           HG2      GLU 514  17.246  -4.002   4.493
 1225    HG3  GLU 514           HG1      GLU 514  15.939  -2.820   4.477
 1226    H    LEU 515           H        LEU 515  12.813  -4.920   3.922
 1227    HA   LEU 515           HA       LEU 515  12.662  -2.427   2.588
 1228    HB2  LEU 515           HB2      LEU 515  12.521  -4.780   1.608
 1229    HB3  LEU 515           HB1      LEU 515  10.853  -4.797   2.146
 1230    HG   LEU 515           HG       LEU 515  10.372  -2.862   0.706
 1231   HD11  LEU 515          1HD1      LEU 515  12.602  -1.858   0.735
 1232   HD12  LEU 515          2HD1      LEU 515  12.022  -2.105  -0.911
 1233   HD13  LEU 515          3HD1      LEU 515  13.218  -3.204  -0.225
 1234   HD21  LEU 515          3HD2      LEU 515  10.544  -4.032  -1.433
 1235   HD22  LEU 515          1HD2      LEU 515  10.033  -5.124  -0.147
 1236   HD23  LEU 515          2HD2      LEU 515  11.700  -5.162  -0.726
 1237    H    PHE 516           H        PHE 516  10.471  -4.238   4.655
 1238    HA   PHE 516           HA       PHE 516   8.236  -2.513   4.420
 1239    HB2  PHE 516           HB2      PHE 516   8.417  -4.931   5.363
 1240    HB3  PHE 516           HB1      PHE 516   8.847  -4.139   6.874
 1241    HD1  PHE 516           HD2      PHE 516   6.358  -3.109   4.315
 1242    HD2  PHE 516           HD1      PHE 516   7.045  -4.534   8.264
 1243    HE1  PHE 516           HE2      PHE 516   3.968  -2.834   4.826
 1244    HE2  PHE 516           HE1      PHE 516   4.656  -4.264   8.782
 1245    HZ   PHE 516           HZ       PHE 516   3.112  -3.415   7.061
 1246    H    ASN 517           H        ASN 517  11.089  -2.540   6.456
 1247    HA   ASN 517           HA       ASN 517  10.312  -0.538   8.292
 1248    HB2  ASN 517           HB2      ASN 517  12.337  -2.138   8.382
 1249    HB3  ASN 517           HB1      ASN 517  13.144  -0.980   7.339
 1250   HD21  ASN 517          1HD2      ASN 517  11.848   1.334   8.665
 1251   HD22  ASN 517          2HD2      ASN 517  12.665   1.496  10.182
 1252    H    TRP 518           H        TRP 518  11.932  -0.413   5.129
 1253    HA   TRP 518           HA       TRP 518  12.414   2.345   4.996
 1254    HB2  TRP 518           HB2      TRP 518  13.209   0.597   3.350
 1255    HB3  TRP 518           HB1      TRP 518  11.585   0.565   2.683
 1256    HD1  TRP 518           HD1      TRP 518  14.848   2.229   2.277
 1257    HE1  TRP 518           HE1      TRP 518  14.680   4.191   0.615
 1258    HE3  TRP 518           HE3      TRP 518   9.746   2.657   2.002
 1259    HZ2  TRP 518           HZ2      TRP 518  12.675   5.727  -0.609
 1260    HZ3  TRP 518           HZ3      TRP 518   8.793   4.406   0.560
 1261    HH2  TRP 518           HH2      TRP 518  10.229   5.910  -0.718
 1262    H    PHE 519           H        PHE 519   9.599   0.445   3.958
 1263    HA   PHE 519           HA       PHE 519   8.040   2.505   2.957
 1264    HB2  PHE 519           HB2      PHE 519   7.620   0.061   2.708
 1265    HB3  PHE 519           HB1      PHE 519   7.071   0.020   4.378
 1266    HD1  PHE 519           HD1      PHE 519   6.405   2.431   1.608
 1267    HD2  PHE 519           HD2      PHE 519   4.826  -0.387   4.380
 1268    HE1  PHE 519           HE1      PHE 519   4.137   2.960   0.849
 1269    HE2  PHE 519           HE2      PHE 519   2.551   0.146   3.628
 1270    HZ   PHE 519           HZ       PHE 519   2.198   1.822   1.858
 1271    H    LYS 520           H        LYS 520   8.164   1.186   6.258
 1272    HA   LYS 520           HA       LYS 520   6.202   2.886   7.350
 1273    HB2  LYS 520           HB2      LYS 520   8.558   1.530   8.664
 1274    HB3  LYS 520           HB1      LYS 520   7.284   2.363   9.542
 1275    HG2  LYS 520           HG2      LYS 520   5.642   0.795   8.586
 1276    HG3  LYS 520           HG1      LYS 520   6.968  -0.073   7.805
 1277    HD2  LYS 520           HD2      LYS 520   7.963  -0.528   9.986
 1278    HD3  LYS 520           HD1      LYS 520   6.661   0.363  10.773
 1279    HE2  LYS 520           HE2      LYS 520   5.045  -1.246   9.832
 1280    HE3  LYS 520           HE1      LYS 520   6.389  -2.162   9.155
 1281    HZ1  LYS 520           HZ1      LYS 520   5.955  -1.620  12.044
 1282    HZ2  LYS 520           HZ2      LYS 520   7.226  -2.531  11.384
 1283    HZ3  LYS 520           HZ3      LYS 520   5.626  -3.093  11.260
 1284    H    ASN 521           H        ASN 521   9.651   3.269   6.879
 1285    HA   ASN 521           HA       ASN 521  10.010   5.548   8.499
 1286    HB2  ASN 521           HB2      ASN 521  11.897   4.184   7.806
 1287    HB3  ASN 521           HB1      ASN 521  11.592   4.567   6.115
 1288   HD21  ASN 521          1HD2      ASN 521  12.777   5.759   9.158
 1289   HD22  ASN 521          2HD2      ASN 521  13.567   7.168   8.525
 1290    H    PHE 522           H        PHE 522   9.080   5.163   5.116
 1291    HA   PHE 522           HA       PHE 522   9.391   8.001   4.583
 1292    HB2  PHE 522           HB2      PHE 522   9.901   6.333   2.837
 1293    HB3  PHE 522           HB1      PHE 522   8.233   5.780   2.874
 1294    HD1  PHE 522           HD2      PHE 522  10.147   8.951   2.419
 1295    HD2  PHE 522           HD1      PHE 522   6.820   6.570   1.245
 1296    HE1  PHE 522           HE2      PHE 522   9.577  10.607   0.692
 1297    HE2  PHE 522           HE1      PHE 522   6.246   8.220  -0.483
 1298    HZ   PHE 522           HZ       PHE 522   7.622  10.241  -0.762
 1299    H    LEU 523           H        LEU 523   6.913   5.701   5.307
 1300    HA   LEU 523           HA       LEU 523   4.746   7.459   4.570
 1301    HB2  LEU 523           HB2      LEU 523   4.944   4.893   4.344
 1302    HB3  LEU 523           HB1      LEU 523   4.510   4.865   6.040
 1303    HG   LEU 523           HG       LEU 523   2.361   5.831   5.576
 1304   HD11  LEU 523          1HD1      LEU 523   3.294   6.006   2.714
 1305   HD12  LEU 523          2HD1      LEU 523   3.045   7.377   3.796
 1306   HD13  LEU 523          3HD1      LEU 523   1.671   6.384   3.300
 1307   HD21  LEU 523          3HD2      LEU 523   1.453   4.089   4.126
 1308   HD22  LEU 523          1HD2      LEU 523   2.631   3.438   5.271
 1309   HD23  LEU 523          2HD2      LEU 523   3.090   3.702   3.590
 1310    H    GLY 524           H        GLY 524   6.476   6.550   7.435
 1311    HA2  GLY 524           HA2      GLY 524   6.475   7.769   9.433
 1312    HA3  GLY 524           HA1      GLY 524   4.981   8.547   8.936
 1313    H    TYR 525           H        TYR 525   5.337   5.083   8.830
 1314    HA   TYR 525           HA       TYR 525   3.157   4.848  10.735
 1315    HB2  TYR 525           HB2      TYR 525   3.156   3.517   8.621
 1316    HB3  TYR 525           HB1      TYR 525   4.569   2.647   9.209
 1317    HD1  TYR 525           HD2      TYR 525   4.363   1.030  11.045
 1318    HD2  TYR 525           HD1      TYR 525   0.958   3.112   9.562
 1319    HE1  TYR 525           HE2      TYR 525   2.892  -0.559  12.206
 1320    HE2  TYR 525           HE1      TYR 525  -0.519   1.525  10.721
 1321    HH   TYR 525           HH       TYR 525   0.581  -0.618  13.097
 1322    H    LYS 526           H        LYS 526   3.439   4.468  12.795
 1323    HA   LYS 526           HA       LYS 526   5.946   3.205  13.676
 1324    HB2  LYS 526           HB2      LYS 526   4.260   5.192  15.215
 1325    HB3  LYS 526           HB1      LYS 526   5.764   4.466  15.760
 1326    HG2  LYS 526           HG2      LYS 526   6.956   5.598  13.941
 1327    HG3  LYS 526           HG1      LYS 526   5.441   6.348  13.437
 1328    HD2  LYS 526           HD2      LYS 526   5.262   7.391  15.681
 1329    HD3  LYS 526           HD1      LYS 526   6.847   6.723  16.080
 1330    HE2  LYS 526           HE2      LYS 526   7.013   9.057  15.388
 1331    HE3  LYS 526           HE1      LYS 526   7.847   7.992  14.256
 1332    HZ1  LYS 526           HZ1      LYS 526   6.117   8.212  12.697
 1333    HZ2  LYS 526           HZ2      LYS 526   6.427   9.782  13.247
 1334    HZ3  LYS 526           HZ3      LYS 526   5.072   8.936  13.816
 1335    H    GLU 527           H        GLU 527   5.788   1.712  15.389
 1336    HA   GLU 527           HA       GLU 527   3.327   0.247  15.494
 1337    HB2  GLU 527           HB2      GLU 527   5.992  -0.068  16.840
 1338    HB3  GLU 527           HB1      GLU 527   4.621  -1.053  17.323
 1339    HG2  GLU 527           HG2      GLU 527   5.917  -2.309  15.790
 1340    HG3  GLU 527           HG1      GLU 527   4.437  -1.823  14.965
 1341    H    SER 528           H        SER 528   2.429   2.514  16.285
 1342    HA   SER 528           HA       SER 528   2.061   2.239  19.182
 1343    HB2  SER 528           HB2      SER 528   2.368   4.895  17.755
 1344    HB3  SER 528           HB1      SER 528   2.183   4.639  19.490
 1345    HG   SER 528           HG       SER 528   4.233   4.155  19.653
  Start of MODEL   17
    1    H1   SER 127           HT1      SER 127  -5.459 -10.960  28.135
    2    H2   SER 127           HT2      SER 127  -6.796 -11.976  27.929
    3    H3   SER 127           HT3      SER 127  -5.596 -11.906  26.733
    4    HA   SER 127           HA       SER 127  -3.992 -12.872  28.214
    5    HB2  SER 127           HB2      SER 127  -4.947 -11.881  30.284
    6    HB3  SER 127           HB1      SER 127  -6.279 -13.032  30.196
    7    HG   SER 127           HG       SER 127  -3.583 -13.900  30.241
    8    H    ASN 128           H        ASN 128  -7.252 -13.590  27.284
    9    HA   ASN 128           HA       ASN 128  -7.186 -16.394  27.686
   10    HB2  ASN 128           HB2      ASN 128  -9.270 -15.067  27.300
   11    HB3  ASN 128           HB1      ASN 128  -8.795 -14.876  25.616
   12   HD21  ASN 128          1HD2      ASN 128 -10.560 -15.956  24.808
   13   HD22  ASN 128          2HD2      ASN 128 -10.787 -17.665  25.001
   14    H    ALA 129           H        ALA 129  -6.907 -14.551  24.639
   15    HA   ALA 129           HA       ALA 129  -4.896 -16.502  23.752
   16    HB1  ALA 129           HB1      ALA 129  -7.180 -15.487  22.061
   17    HB2  ALA 129           HB2      ALA 129  -7.007 -17.124  22.693
   18    HB3  ALA 129           HB3      ALA 129  -5.859 -16.515  21.502
   19    H    GLY 130           H        GLY 130  -3.333 -15.667  22.293
   20    HA2  GLY 130           HA2      GLY 130  -3.416 -12.747  21.898
   21    HA3  GLY 130           HA1      GLY 130  -2.011 -13.486  22.652
   22    H    SER 131           H        SER 131  -3.897 -13.279  19.697
   23    HA   SER 131           HA       SER 131  -1.471 -14.026  18.210
   24    HB2  SER 131           HB2      SER 131  -3.097 -15.004  16.476
   25    HB3  SER 131           HB1      SER 131  -2.848 -15.932  17.954
   26    HG   SER 131           HG       SER 131  -4.874 -14.147  18.247
   27    H    ASP 132           H        ASP 132  -3.086 -11.498  19.019
   28    HA   ASP 132           HA       ASP 132  -3.905 -10.309  16.565
   29    HB2  ASP 132           HB2      ASP 132  -3.298  -9.170  19.291
   30    HB3  ASP 132           HB1      ASP 132  -3.746  -8.146  17.933
   31    H    ASP 133           H        ASP 133  -2.893  -8.220  15.819
   32    HA   ASP 133           HA       ASP 133  -1.196  -7.038  14.900
   33    HB2  ASP 133           HB2      ASP 133  -0.128  -6.983  17.117
   34    HB3  ASP 133           HB1      ASP 133   0.631  -8.538  16.791
   35    H    ASP 134           H        ASP 134   0.477 -10.136  15.531
   36    HA   ASP 134           HA       ASP 134   0.223 -10.841  12.723
   37    HB2  ASP 134           HB2      ASP 134   2.274  -9.500  12.718
   38    HB3  ASP 134           HB1      ASP 134   2.942 -10.492  14.012
   39    H    GLY 135           H        GLY 135  -0.615 -12.807  12.919
   40    HA2  GLY 135           HA2      GLY 135   0.106 -14.614  15.023
   41    HA3  GLY 135           HA1      GLY 135  -0.884 -14.990  13.618
   42    H    GLY 136           H        GLY 136   0.801 -14.432  11.553
   43    HA2  GLY 136           HA2      GLY 136   2.941 -14.956  10.648
   44    HA3  GLY 136           HA1      GLY 136   3.237 -16.000  12.031
   45    H    ASP 137           H        ASP 137   0.542 -15.820   9.706
   46    HA   ASP 137           HA       ASP 137   0.527 -18.700   9.509
   47    HB2  ASP 137           HB2      ASP 137  -1.172 -16.609   8.136
   48    HB3  ASP 137           HB1      ASP 137  -1.406 -18.346   7.975
   49    H    SER 138           H        SER 138   0.953 -16.023   7.191
   50    HA   SER 138           HA       SER 138   1.657 -17.820   5.070
   51    HB2  SER 138           HB2      SER 138   1.953 -14.812   5.199
   52    HB3  SER 138           HB1      SER 138   1.965 -15.810   3.745
   53    HG   SER 138           HG       SER 138  -0.221 -16.502   4.545
   54    HA   PRO 139           HA       PRO 139   5.981 -17.888   6.279
   55    HB2  PRO 139           HB2      PRO 139   6.740 -19.868   4.640
   56    HB3  PRO 139           HB1      PRO 139   5.749 -20.187   6.070
   57    HG2  PRO 139           HG2      PRO 139   4.932 -19.974   3.204
   58    HG3  PRO 139           HG1      PRO 139   4.385 -21.118   4.441
   59    HD2  PRO 139           HD2      PRO 139   2.993 -18.863   3.677
   60    HD3  PRO 139           HD1      PRO 139   2.811 -19.671   5.247
   61    H    VAL 140           H        VAL 140   8.030 -17.472   5.233
   62    HA   VAL 140           HA       VAL 140   7.697 -16.009   2.697
   63    HB   VAL 140           HB       VAL 140   9.927 -15.704   4.718
   64   HG11  VAL 140          1HG1      VAL 140  10.446 -13.655   3.471
   65   HG12  VAL 140          2HG1      VAL 140   9.171 -14.042   2.315
   66   HG13  VAL 140          3HG1      VAL 140  10.582 -15.090   2.457
   67   HG21  VAL 140          3HG2      VAL 140   7.522 -13.937   4.263
   68   HG22  VAL 140          1HG2      VAL 140   8.848 -13.618   5.381
   69   HG23  VAL 140          2HG2      VAL 140   7.775 -14.991   5.654
   70    H    GLN 141           H        GLN 141   7.960 -17.774   1.304
   71    HA   GLN 141           HA       GLN 141  10.694 -18.441   0.765
   72    HB2  GLN 141           HB2      GLN 141  10.196 -20.095   2.504
   73    HB3  GLN 141           HB1      GLN 141   8.807 -20.657   1.582
   74    HG2  GLN 141           HG2      GLN 141  10.281 -21.373  -0.217
   75    HG3  GLN 141           HG1      GLN 141  11.678 -20.800   0.695
   76   HE21  GLN 141          1HE2      GLN 141  12.635 -22.807   0.810
   77   HE22  GLN 141          2HE2      GLN 141  12.003 -24.088   1.791
   78    H    ASP 142           H        ASP 142  10.195 -17.411  -1.164
   79    HA   ASP 142           HA       ASP 142   9.851 -17.394  -3.398
   80    HB2  ASP 142           HB2      ASP 142  10.735 -19.815  -3.033
   81    HB3  ASP 142           HB1      ASP 142   9.073 -20.284  -3.388
   82    H    ILE 143           H        ILE 143   8.190 -16.342  -4.206
   83    HA   ILE 143           HA       ILE 143   5.503 -17.427  -3.718
   84    HB   ILE 143           HB       ILE 143   4.929 -14.850  -4.165
   85   HG12  ILE 143          2HG1      ILE 143   6.512 -13.508  -2.731
   86   HG13  ILE 143          1HG1      ILE 143   7.640 -14.853  -2.821
   87   HG21  ILE 143          1HG2      ILE 143   5.699 -16.054  -1.522
   88   HG22  ILE 143          2HG2      ILE 143   4.144 -16.220  -2.338
   89   HG23  ILE 143          3HG2      ILE 143   4.669 -14.641  -1.759
   90   HD11  ILE 143          3HD1      ILE 143   7.713 -14.593  -5.261
   91   HD12  ILE 143          1HD1      ILE 143   8.233 -13.139  -4.407
   92   HD13  ILE 143          2HD1      ILE 143   6.625 -13.211  -5.128
   93    H    ASP 144           H        ASP 144   4.031 -17.462  -5.318
   94    HA   ASP 144           HA       ASP 144   4.961 -16.716  -8.002
   95    HB2  ASP 144           HB2      ASP 144   4.217 -18.991  -7.951
   96    HB3  ASP 144           HB1      ASP 144   2.759 -18.560  -7.060
   97    H    THR 145           H        THR 145   2.228 -16.440  -5.779
   98    HA   THR 145           HA       THR 145   1.622 -13.796  -6.783
   99    HB   THR 145           HB       THR 145  -0.528 -15.930  -6.897
  100    HG1  THR 145           HG1      THR 145   0.786 -16.257  -8.669
  101   HG21  THR 145          3HG2      THR 145  -1.872 -14.185  -7.969
  102   HG22  THR 145          1HG2      THR 145  -0.551 -13.034  -7.765
  103   HG23  THR 145          2HG2      THR 145  -1.370 -13.697  -6.350
  104    HA   PRO 146           HA       PRO 146   0.746 -14.043  -2.287
  105    HB2  PRO 146           HB2      PRO 146   1.468 -11.220  -2.304
  106    HB3  PRO 146           HB1      PRO 146   2.213 -12.553  -1.420
  107    HG2  PRO 146           HG2      PRO 146   3.433 -11.272  -3.492
  108    HG3  PRO 146           HG1      PRO 146   3.757 -12.958  -3.051
  109    HD2  PRO 146           HD2      PRO 146   2.078 -11.865  -5.269
  110    HD3  PRO 146           HD1      PRO 146   3.126 -13.297  -5.248
  111    H    GLU 147           H        GLU 147  -1.036 -13.228  -1.208
  112    HA   GLU 147           HA       GLU 147  -2.921 -11.771  -2.926
  113    HB2  GLU 147           HB2      GLU 147  -4.672 -12.828  -1.482
  114    HB3  GLU 147           HB1      GLU 147  -3.709 -13.973  -2.408
  115    HG2  GLU 147           HG2      GLU 147  -2.267 -14.102  -0.257
  116    HG3  GLU 147           HG1      GLU 147  -3.699 -13.431   0.523
  117    H    VAL 148           H        VAL 148  -4.258 -10.170  -2.007
  118    HA   VAL 148           HA       VAL 148  -3.088  -8.905   0.356
  119    HB   VAL 148           HB       VAL 148  -3.209  -7.426  -1.542
  120   HG11  VAL 148          1HG1      VAL 148  -6.160  -8.040  -1.618
  121   HG12  VAL 148          2HG1      VAL 148  -4.956  -8.497  -2.824
  122   HG13  VAL 148          3HG1      VAL 148  -5.351  -6.797  -2.572
  123   HG21  VAL 148          3HG2      VAL 148  -5.365  -6.728   0.452
  124   HG22  VAL 148          1HG2      VAL 148  -4.518  -5.594  -0.602
  125   HG23  VAL 148          2HG2      VAL 148  -3.635  -6.453   0.661
  126    H    ASP 149           H        ASP 149  -4.047  -9.155   2.234
  127    HA   ASP 149           HA       ASP 149  -6.691 -10.251   2.444
  128    HB2  ASP 149           HB2      ASP 149  -4.874 -10.776   4.075
  129    HB3  ASP 149           HB1      ASP 149  -4.932  -9.106   4.628
  130    H    LEU 150           H        LEU 150  -8.502  -9.097   2.369
  131    HA   LEU 150           HA       LEU 150  -8.338  -6.211   2.905
  132    HB2  LEU 150           HB2      LEU 150 -10.295  -7.776   1.223
  133    HB3  LEU 150           HB1      LEU 150 -10.410  -6.053   1.535
  134    HG   LEU 150           HG       LEU 150  -8.061  -7.350   0.152
  135   HD11  LEU 150          1HD1      LEU 150 -10.100  -7.635  -1.164
  136   HD12  LEU 150          2HD1      LEU 150  -8.987  -6.494  -1.919
  137   HD13  LEU 150          3HD1      LEU 150 -10.408  -5.902  -1.058
  138   HD21  LEU 150          3HD2      LEU 150  -7.557  -5.218   1.226
  139   HD22  LEU 150          1HD2      LEU 150  -8.921  -4.469   0.394
  140   HD23  LEU 150          2HD2      LEU 150  -7.540  -5.062  -0.532
  141    H    TYR 151           H        TYR 151  -8.992  -8.821   4.546
  142    HA   TYR 151           HA       TYR 151 -11.573  -8.046   5.666
  143    HB2  TYR 151           HB2      TYR 151 -11.205 -10.423   5.276
  144    HB3  TYR 151           HB1      TYR 151  -9.731 -10.385   6.233
  145    HD1  TYR 151           HD1      TYR 151 -13.404  -9.776   6.525
  146    HD2  TYR 151           HD2      TYR 151  -9.815 -10.982   8.472
  147    HE1  TYR 151           HE1      TYR 151 -14.694 -10.376   8.533
  148    HE2  TYR 151           HE2      TYR 151 -11.098 -11.582  10.480
  149    HH   TYR 151           HH       TYR 151 -14.510 -11.804  10.491
  150    H    GLN 152           H        GLN 152  -8.183  -7.941   6.300
  151    HA   GLN 152           HA       GLN 152  -8.197  -7.278   9.030
  152    HB2  GLN 152           HB2      GLN 152  -5.980  -6.238   8.528
  153    HB3  GLN 152           HB1      GLN 152  -6.147  -7.887   7.944
  154    HG2  GLN 152           HG2      GLN 152  -6.584  -7.025   5.700
  155    HG3  GLN 152           HG1      GLN 152  -6.400  -5.379   6.306
  156   HE21  GLN 152          1HE2      GLN 152  -4.890  -6.731   4.256
  157   HE22  GLN 152          2HE2      GLN 152  -3.236  -6.691   4.782
  158    H    LEU 153           H        LEU 153  -9.006  -5.426   6.226
  159    HA   LEU 153           HA       LEU 153  -8.537  -2.834   7.247
  160    HB2  LEU 153           HB2      LEU 153 -10.460  -3.771   5.121
  161    HB3  LEU 153           HB1      LEU 153 -10.088  -2.091   5.453
  162    HG   LEU 153           HG       LEU 153  -8.200  -4.183   4.389
  163   HD11  LEU 153          1HD1      LEU 153  -9.771  -3.296   2.750
  164   HD12  LEU 153          2HD1      LEU 153  -8.131  -2.731   2.427
  165   HD13  LEU 153          3HD1      LEU 153  -9.303  -1.650   3.182
  166   HD21  LEU 153          3HD2      LEU 153  -7.661  -1.306   5.114
  167   HD22  LEU 153          1HD2      LEU 153  -6.538  -2.391   4.292
  168   HD23  LEU 153          2HD2      LEU 153  -7.031  -2.724   5.953
  169    H    GLN 154           H        GLN 154 -10.157  -1.229   7.756
  170    HA   GLN 154           HA       GLN 154 -12.147  -2.233   9.586
  171    HB2  GLN 154           HB2      GLN 154 -11.870   0.618   8.638
  172    HB3  GLN 154           HB1      GLN 154 -12.552   0.041  10.152
  173    HG2  GLN 154           HG2      GLN 154  -9.658   0.015   9.338
  174    HG3  GLN 154           HG1      GLN 154 -10.412   1.023  10.571
  175   HE21  GLN 154          1HE2      GLN 154  -8.203  -0.914  10.701
  176   HE22  GLN 154          2HE2      GLN 154  -8.645  -2.033  11.947
  177    H    VAL 155           H        VAL 155 -14.439  -1.789   9.407
  178    HA   VAL 155           HA       VAL 155 -15.503  -2.411   6.881
  179    HB   VAL 155           HB       VAL 155 -16.805  -1.408   9.410
  180   HG11  VAL 155          1HG1      VAL 155 -18.207  -2.214   6.866
  181   HG12  VAL 155          2HG1      VAL 155 -18.120  -0.570   7.506
  182   HG13  VAL 155          3HG1      VAL 155 -18.977  -1.825   8.404
  183   HG21  VAL 155          3HG2      VAL 155 -16.975  -4.033   7.933
  184   HG22  VAL 155          1HG2      VAL 155 -17.724  -3.653   9.483
  185   HG23  VAL 155          2HG2      VAL 155 -15.964  -3.720   9.350
  186    H    ASN 156           H        ASN 156 -15.122   0.684   8.566
  187    HA   ASN 156           HA       ASN 156 -16.584   2.228   6.706
  188    HB2  ASN 156           HB2      ASN 156 -15.767   4.140   7.790
  189    HB3  ASN 156           HB1      ASN 156 -15.763   2.919   9.057
  190   HD21  ASN 156          1HD2      ASN 156 -13.802   2.127   9.816
  191   HD22  ASN 156          2HD2      ASN 156 -12.300   2.936   9.496
  192    H    THR 157           H        THR 157 -13.300   1.035   6.715
  193    HA   THR 157           HA       THR 157 -12.301   2.669   4.628
  194    HB   THR 157           HB       THR 157 -11.376  -0.126   5.329
  195    HG1  THR 157           HG1      THR 157 -10.040   0.886   6.869
  196   HG21  THR 157          3HG2      THR 157  -9.947   2.265   4.158
  197   HG22  THR 157          1HG2      THR 157 -10.401   0.800   3.290
  198   HG23  THR 157          2HG2      THR 157  -9.192   0.726   4.572
  199    H    LEU 158           H        LEU 158 -13.700  -0.582   4.715
  200    HA   LEU 158           HA       LEU 158 -13.507  -1.109   1.950
  201    HB2  LEU 158           HB2      LEU 158 -15.434  -2.211   3.996
  202    HB3  LEU 158           HB1      LEU 158 -15.196  -2.865   2.387
  203    HG   LEU 158           HG       LEU 158 -13.056  -2.743   4.512
  204   HD11  LEU 158          1HD1      LEU 158 -13.392  -5.154   4.697
  205   HD12  LEU 158          2HD1      LEU 158 -14.756  -5.047   3.584
  206   HD13  LEU 158          3HD1      LEU 158 -14.836  -4.256   5.159
  207   HD21  LEU 158          3HD2      LEU 158 -13.139  -4.132   1.837
  208   HD22  LEU 158          1HD2      LEU 158 -11.833  -4.238   3.017
  209   HD23  LEU 158          2HD2      LEU 158 -12.187  -2.700   2.229
  210    H    ARG 159           H        ARG 159 -16.075   0.272   3.948
  211    HA   ARG 159           HA       ARG 159 -17.981   0.534   1.870
  212    HB2  ARG 159           HB2      ARG 159 -17.669   2.067   4.459
  213    HB3  ARG 159           HB1      ARG 159 -19.056   2.210   3.387
  214    HG2  ARG 159           HG2      ARG 159 -19.592  -0.132   3.729
  215    HG3  ARG 159           HG1      ARG 159 -18.168  -0.321   4.755
  216    HD2  ARG 159           HD2      ARG 159 -20.151  -0.068   6.121
  217    HD3  ARG 159           HD1      ARG 159 -19.094   1.329   6.318
  218    HE   ARG 159           HE       ARG 159 -21.136   1.689   4.315
  219   HH11  ARG 159          1HH1      ARG 159 -20.341   1.985   7.719
  220   HH12  ARG 159          2HH1      ARG 159 -21.601   3.147   8.027
  221   HH21  ARG 159          1HH2      ARG 159 -22.764   3.221   4.722
  222   HH22  ARG 159          2HH2      ARG 159 -22.969   3.850   6.333
  223    H    ARG 160           H        ARG 160 -15.305   2.519   2.951
  224    HA   ARG 160           HA       ARG 160 -16.035   4.898   1.610
  225    HB2  ARG 160           HB2      ARG 160 -14.201   4.431   3.432
  226    HB3  ARG 160           HB1      ARG 160 -13.172   4.115   2.041
  227    HG2  ARG 160           HG2      ARG 160 -13.715   6.365   1.178
  228    HG3  ARG 160           HG1      ARG 160 -14.634   6.674   2.649
  229    HD2  ARG 160           HD2      ARG 160 -11.679   6.196   2.375
  230    HD3  ARG 160           HD1      ARG 160 -12.494   7.648   2.951
  231    HE   ARG 160           HE       ARG 160 -13.245   5.670   4.702
  232   HH11  ARG 160          1HH1      ARG 160 -10.210   7.016   3.598
  233   HH12  ARG 160          2HH1      ARG 160  -9.368   6.680   5.076
  234   HH21  ARG 160          1HH2      ARG 160 -12.136   5.215   6.667
  235   HH22  ARG 160          2HH2      ARG 160 -10.466   5.674   6.831
  236    H    TYR 161           H        TYR 161 -13.915   2.188   0.741
  237    HA   TYR 161           HA       TYR 161 -13.222   2.939  -1.833
  238    HB2  TYR 161           HB2      TYR 161 -12.284   0.973  -0.682
  239    HB3  TYR 161           HB1      TYR 161 -13.839   0.156  -0.801
  240    HD1  TYR 161           HD2      TYR 161 -10.863   1.240  -2.644
  241    HD2  TYR 161           HD1      TYR 161 -14.592  -0.784  -2.912
  242    HE1  TYR 161           HE2      TYR 161 -10.206   0.333  -4.832
  243    HE2  TYR 161           HE1      TYR 161 -13.946  -1.697  -5.100
  244    HH   TYR 161           HH       TYR 161 -10.762  -1.538  -6.290
  245    H    LYS 162           H        LYS 162 -16.053   1.115  -0.741
  246    HA   LYS 162           HA       LYS 162 -17.116   0.670  -3.308
  247    HB2  LYS 162           HB2      LYS 162 -18.324   0.590  -0.560
  248    HB3  LYS 162           HB1      LYS 162 -19.262   0.225  -2.003
  249    HG2  LYS 162           HG2      LYS 162 -17.710  -1.584  -2.556
  250    HG3  LYS 162           HG1      LYS 162 -16.774  -1.216  -1.105
  251    HD2  LYS 162           HD2      LYS 162 -18.345  -3.133  -0.846
  252    HD3  LYS 162           HD1      LYS 162 -18.604  -1.826   0.311
  253    HE2  LYS 162           HE2      LYS 162 -20.693  -2.775  -0.669
  254    HE3  LYS 162           HE1      LYS 162 -20.506  -1.035  -0.889
  255    HZ1  LYS 162           HZ1      LYS 162 -19.708  -1.486  -3.154
  256    HZ2  LYS 162           HZ2      LYS 162 -21.285  -2.037  -2.917
  257    HZ3  LYS 162           HZ3      LYS 162 -20.000  -3.136  -2.929
  258    H    ARG 163           H        ARG 163 -17.676   3.276  -0.983
  259    HA   ARG 163           HA       ARG 163 -19.835   4.385  -2.522
  260    HB2  ARG 163           HB2      ARG 163 -18.219   5.583  -0.269
  261    HB3  ARG 163           HB1      ARG 163 -19.673   6.288  -0.960
  262    HG2  ARG 163           HG2      ARG 163 -20.989   4.406  -0.209
  263    HG3  ARG 163           HG1      ARG 163 -19.539   3.608   0.404
  264    HD2  ARG 163           HD2      ARG 163 -20.667   4.616   2.252
  265    HD3  ARG 163           HD1      ARG 163 -19.208   5.550   1.934
  266    HE   ARG 163           HE       ARG 163 -21.385   6.686   0.540
  267   HH11  ARG 163          1HH1      ARG 163 -20.083   6.337   3.776
  268   HH12  ARG 163          2HH1      ARG 163 -20.891   7.750   4.397
  269   HH21  ARG 163          1HH2      ARG 163 -22.438   8.548   1.333
  270   HH22  ARG 163          2HH2      ARG 163 -22.221   9.023   2.995
  271    H    HIS 164           H        HIS 164 -16.373   4.936  -2.249
  272    HA   HIS 164           HA       HIS 164 -16.339   7.357  -3.741
  273    HB2  HIS 164           HB2      HIS 164 -14.504   6.528  -2.207
  274    HB3  HIS 164           HB1      HIS 164 -14.063   5.386  -3.471
  275    HD1  HIS 164           HD1      HIS 164 -13.497   8.795  -2.335
  276    HD2  HIS 164           HD2      HIS 164 -13.159   6.716  -5.921
  277    HE1  HIS 164           HE1      HIS 164 -12.044  10.224  -3.816
  278    HE2  HIS 164           HE2      HIS 164 -11.976   9.014  -6.030
  279    H    PHE 165           H        PHE 165 -15.729   3.964  -4.612
  280    HA   PHE 165           HA       PHE 165 -15.367   4.684  -7.392
  281    HB2  PHE 165           HB2      PHE 165 -15.231   2.091  -5.878
  282    HB3  PHE 165           HB1      PHE 165 -15.233   2.118  -7.638
  283    HD1  PHE 165           HD2      PHE 165 -13.357   3.078  -4.622
  284    HD2  PHE 165           HD1      PHE 165 -13.330   2.829  -8.870
  285    HE1  PHE 165           HE2      PHE 165 -10.930   3.471  -4.628
  286    HE2  PHE 165           HE1      PHE 165 -10.903   3.223  -8.883
  287    HZ   PHE 165           HZ       PHE 165  -9.700   3.544  -6.759
  288    H    LYS 166           H        LYS 166 -17.999   4.321  -5.498
  289    HA   LYS 166           HA       LYS 166 -20.207   3.955  -5.800
  290    HB2  LYS 166           HB2      LYS 166 -19.480   4.414  -8.695
  291    HB3  LYS 166           HB1      LYS 166 -21.129   4.309  -8.094
  292    HG2  LYS 166           HG2      LYS 166 -19.085   6.363  -7.277
  293    HG3  LYS 166           HG1      LYS 166 -20.429   6.619  -8.390
  294    HD2  LYS 166           HD2      LYS 166 -22.024   6.195  -6.625
  295    HD3  LYS 166           HD1      LYS 166 -20.722   5.786  -5.506
  296    HE2  LYS 166           HE2      LYS 166 -21.193   8.478  -6.782
  297    HE3  LYS 166           HE1      LYS 166 -21.542   8.046  -5.109
  298    HZ1  LYS 166           HZ1      LYS 166 -19.132   7.552  -4.861
  299    HZ2  LYS 166           HZ2      LYS 166 -19.480   9.185  -5.149
  300    HZ3  LYS 166           HZ3      LYS 166 -18.875   8.215  -6.404
  301    H    LEU 167           H        LEU 167 -19.988   1.811  -5.048
  302    HA   LEU 167           HA       LEU 167 -20.212  -0.200  -7.192
  303    HB2  LEU 167           HB2      LEU 167 -19.162  -0.578  -4.389
  304    HB3  LEU 167           HB1      LEU 167 -19.351  -1.846  -5.584
  305    HG   LEU 167           HG       LEU 167 -17.458   0.497  -5.761
  306   HD11  LEU 167          1HD1      LEU 167 -16.730  -1.175  -4.171
  307   HD12  LEU 167          2HD1      LEU 167 -15.726  -1.239  -5.620
  308   HD13  LEU 167          3HD1      LEU 167 -16.981  -2.451  -5.363
  309   HD21  LEU 167          3HD2      LEU 167 -17.886  -1.795  -7.672
  310   HD22  LEU 167          1HD2      LEU 167 -16.628  -0.566  -7.796
  311   HD23  LEU 167          2HD2      LEU 167 -18.324  -0.112  -7.961
  312    HA   PRO 168           HA       PRO 168 -24.423  -0.097  -5.578
  313    HB2  PRO 168           HB2      PRO 168 -24.693  -2.146  -7.705
  314    HB3  PRO 168           HB1      PRO 168 -25.654  -0.693  -7.415
  315    HG2  PRO 168           HG2      PRO 168 -23.904  -0.794  -9.423
  316    HG3  PRO 168           HG1      PRO 168 -24.128   0.691  -8.477
  317    HD2  PRO 168           HD2      PRO 168 -21.927  -1.329  -8.349
  318    HD3  PRO 168           HD1      PRO 168 -21.848   0.438  -8.200
  319    H    THR 169           H        THR 169 -25.478  -1.389  -4.182
  320    HA   THR 169           HA       THR 169 -25.151  -4.207  -4.063
  321    HB   THR 169           HB       THR 169 -22.993  -3.763  -3.144
  322    HG1  THR 169           HG1      THR 169 -24.859  -4.361  -1.071
  323   HG21  THR 169          3HG2      THR 169 -24.346  -1.884  -1.208
  324   HG22  THR 169          1HG2      THR 169 -23.273  -1.427  -2.535
  325   HG23  THR 169          2HG2      THR 169 -22.645  -2.354  -1.169
  326    H    ARG 170           H        ARG 170 -26.582  -5.172  -2.654
  327    HA   ARG 170           HA       ARG 170 -28.835  -3.580  -1.900
  328    HB2  ARG 170           HB2      ARG 170 -28.238  -6.474  -1.266
  329    HB3  ARG 170           HB1      ARG 170 -29.808  -5.690  -1.175
  330    HG2  ARG 170           HG2      ARG 170 -29.813  -5.372  -3.582
  331    HG3  ARG 170           HG1      ARG 170 -28.207  -6.097  -3.692
  332    HD2  ARG 170           HD2      ARG 170 -29.159  -8.168  -2.680
  333    HD3  ARG 170           HD1      ARG 170 -30.756  -7.433  -2.802
  334    HE   ARG 170           HE       ARG 170 -29.977  -7.266  -5.324
  335   HH11  ARG 170          1HH1      ARG 170 -29.668  -9.912  -3.051
  336   HH12  ARG 170          2HH1      ARG 170 -29.699 -11.150  -4.273
  337   HH21  ARG 170          1HH2      ARG 170 -30.048  -8.892  -6.952
  338   HH22  ARG 170          2HH2      ARG 170 -29.918 -10.569  -6.493
  339    HA   PRO 171           HA       PRO 171 -27.834  -2.782   2.354
  340    HB2  PRO 171           HB2      PRO 171 -30.253  -3.075   3.568
  341    HB3  PRO 171           HB1      PRO 171 -29.835  -1.675   2.573
  342    HG2  PRO 171           HG2      PRO 171 -31.414  -4.111   1.851
  343    HG3  PRO 171           HG1      PRO 171 -31.735  -2.412   1.456
  344    HD2  PRO 171           HD2      PRO 171 -30.631  -4.128  -0.317
  345    HD3  PRO 171           HD1      PRO 171 -30.219  -2.402  -0.285
  346    H    GLY 172           H        GLY 172 -28.056  -3.731   4.598
  347    HA2  GLY 172           HA2      GLY 172 -28.016  -5.540   6.053
  348    HA3  GLY 172           HA1      GLY 172 -28.602  -6.565   4.749
  349    H    LEU 173           H        LEU 173 -25.789  -4.484   4.549
  350    HA   LEU 173           HA       LEU 173 -24.184  -6.751   3.755
  351    HB2  LEU 173           HB2      LEU 173 -23.600  -3.803   3.960
  352    HB3  LEU 173           HB1      LEU 173 -22.408  -4.990   3.459
  353    HG   LEU 173           HG       LEU 173 -25.007  -4.409   2.039
  354   HD11  LEU 173          1HD1      LEU 173 -22.155  -3.700   1.366
  355   HD12  LEU 173          2HD1      LEU 173 -23.450  -2.580   1.791
  356   HD13  LEU 173          3HD1      LEU 173 -23.535  -3.495   0.282
  357   HD21  LEU 173          3HD2      LEU 173 -22.715  -6.227   1.306
  358   HD22  LEU 173          1HD2      LEU 173 -24.110  -5.865   0.289
  359   HD23  LEU 173          2HD2      LEU 173 -24.328  -6.737   1.806
  360    H    ASN 174           H        ASN 174 -22.369  -7.496   4.746
  361    HA   ASN 174           HA       ASN 174 -21.888  -6.585   7.505
  362    HB2  ASN 174           HB2      ASN 174 -22.055  -9.337   6.354
  363    HB3  ASN 174           HB1      ASN 174 -20.903  -9.050   7.651
  364   HD21  ASN 174          1HD2      ASN 174 -23.986  -7.391   7.375
  365   HD22  ASN 174          2HD2      ASN 174 -24.716  -8.139   8.758
  366    H    LYS 175           H        LYS 175 -19.558  -7.729   8.098
  367    HA   LYS 175           HA       LYS 175 -17.678  -6.129   6.794
  368    HB2  LYS 175           HB2      LYS 175 -17.327  -6.925   9.051
  369    HB3  LYS 175           HB1      LYS 175 -17.287  -8.593   8.500
  370    HG2  LYS 175           HG2      LYS 175 -15.061  -7.624   9.035
  371    HG3  LYS 175           HG1      LYS 175 -15.198  -8.254   7.393
  372    HD2  LYS 175           HD2      LYS 175 -15.414  -6.060   6.488
  373    HD3  LYS 175           HD1      LYS 175 -15.583  -5.345   8.095
  374    HE2  LYS 175           HE2      LYS 175 -13.124  -6.743   7.044
  375    HE3  LYS 175           HE1      LYS 175 -13.348  -4.997   7.116
  376    HZ1  LYS 175           HZ1      LYS 175 -12.116  -5.546   9.000
  377    HZ2  LYS 175           HZ2      LYS 175 -13.059  -6.902   9.367
  378    HZ3  LYS 175           HZ3      LYS 175 -13.691  -5.346   9.593
  379    H    ALA 176           H        ALA 176 -18.023  -9.684   6.597
  380    HA   ALA 176           HA       ALA 176 -16.064 -10.080   4.636
  381    HB1  ALA 176           HB1      ALA 176 -18.530 -11.735   5.171
  382    HB2  ALA 176           HB2      ALA 176 -16.979 -11.882   5.999
  383    HB3  ALA 176           HB3      ALA 176 -17.100 -12.264   4.282
  384    H    GLN 177           H        GLN 177 -19.435  -9.209   4.347
  385    HA   GLN 177           HA       GLN 177 -19.830  -9.692   1.619
  386    HB2  GLN 177           HB2      GLN 177 -21.021  -7.578   3.426
  387    HB3  GLN 177           HB1      GLN 177 -21.612  -7.947   1.804
  388    HG2  GLN 177           HG2      GLN 177 -21.608  -9.777   4.195
  389    HG3  GLN 177           HG1      GLN 177 -23.009  -9.037   3.423
  390   HE21  GLN 177          1HE2      GLN 177 -21.985  -9.517   0.729
  391   HE22  GLN 177          2HE2      GLN 177 -22.157 -11.215   0.432
  392    H    LEU 178           H        LEU 178 -18.830  -6.741   3.301
  393    HA   LEU 178           HA       LEU 178 -18.456  -5.139   1.033
  394    HB2  LEU 178           HB2      LEU 178 -16.979  -5.045   3.669
  395    HB3  LEU 178           HB1      LEU 178 -17.062  -3.751   2.489
  396    HG   LEU 178           HG       LEU 178 -19.461  -4.854   3.945
  397   HD11  LEU 178          1HD1      LEU 178 -19.365  -2.817   5.279
  398   HD12  LEU 178          2HD1      LEU 178 -17.859  -2.362   4.483
  399   HD13  LEU 178          3HD1      LEU 178 -17.918  -3.800   5.502
  400   HD21  LEU 178          3HD2      LEU 178 -19.079  -2.401   2.235
  401   HD22  LEU 178          1HD2      LEU 178 -20.543  -2.807   3.131
  402   HD23  LEU 178          2HD2      LEU 178 -20.004  -3.842   1.808
  403    H    VAL 179           H        VAL 179 -16.265  -7.274   2.798
  404    HA   VAL 179           HA       VAL 179 -13.891  -6.649   1.482
  405    HB   VAL 179           HB       VAL 179 -14.628  -9.389   2.518
  406   HG11  VAL 179          1HG1      VAL 179 -12.251  -9.641   2.879
  407   HG12  VAL 179          2HG1      VAL 179 -11.967  -8.006   2.284
  408   HG13  VAL 179          3HG1      VAL 179 -12.568  -9.253   1.187
  409   HG21  VAL 179          3HG2      VAL 179 -13.645  -8.676   4.653
  410   HG22  VAL 179          1HG2      VAL 179 -15.088  -7.747   4.247
  411   HG23  VAL 179          2HG2      VAL 179 -13.490  -7.036   4.023
  412    H    GLU 180           H        GLU 180 -16.328  -9.130   0.712
  413    HA   GLU 180           HA       GLU 180 -15.015 -10.235  -1.504
  414    HB2  GLU 180           HB2      GLU 180 -17.958 -10.032  -0.875
  415    HB3  GLU 180           HB1      GLU 180 -17.318 -10.947  -2.233
  416    HG2  GLU 180           HG2      GLU 180 -15.966 -12.261  -0.570
  417    HG3  GLU 180           HG1      GLU 180 -16.892 -11.454   0.697
  418    H    ILE 181           H        ILE 181 -17.395  -7.593  -1.324
  419    HA   ILE 181           HA       ILE 181 -17.518  -7.159  -4.119
  420    HB   ILE 181           HB       ILE 181 -18.047  -5.134  -1.932
  421   HG12  ILE 181          2HG1      ILE 181 -19.973  -7.001  -3.338
  422   HG13  ILE 181          1HG1      ILE 181 -19.369  -7.239  -1.701
  423   HG21  ILE 181          1HG2      ILE 181 -19.456  -4.047  -3.615
  424   HG22  ILE 181          2HG2      ILE 181 -18.970  -5.254  -4.805
  425   HG23  ILE 181          3HG2      ILE 181 -17.777  -4.137  -4.145
  426   HD11  ILE 181          3HD1      ILE 181 -21.604  -6.287  -1.689
  427   HD12  ILE 181          1HD1      ILE 181 -21.041  -4.917  -2.647
  428   HD13  ILE 181          2HD1      ILE 181 -20.439  -5.154  -1.007
  429    H    VAL 182           H        VAL 182 -15.592  -5.629  -1.561
  430    HA   VAL 182           HA       VAL 182 -14.344  -3.697  -3.167
  431    HB   VAL 182           HB       VAL 182 -13.402  -5.011  -0.615
  432   HG11  VAL 182          1HG1      VAL 182 -11.475  -4.162  -1.885
  433   HG12  VAL 182          2HG1      VAL 182 -11.766  -3.224  -0.420
  434   HG13  VAL 182          3HG1      VAL 182 -12.254  -2.581  -1.988
  435   HG21  VAL 182          3HG2      VAL 182 -15.421  -3.693  -0.372
  436   HG22  VAL 182          1HG2      VAL 182 -14.657  -2.329  -1.189
  437   HG23  VAL 182          2HG2      VAL 182 -14.063  -2.860   0.384
  438    H    GLY 183           H        GLY 183 -13.244  -6.954  -2.224
  439    HA2  GLY 183           HA2      GLY 183 -10.785  -6.876  -3.565
  440    HA3  GLY 183           HA1      GLY 183 -11.662  -8.336  -3.132
  441    H    CYS 184           H        CYS 184 -13.990  -7.845  -4.652
  442    HA   CYS 184           HA       CYS 184 -13.293  -8.944  -7.117
  443    HB2  CYS 184           HB2      CYS 184 -15.544  -9.118  -6.137
  444    HB3  CYS 184           HB1      CYS 184 -15.793  -7.396  -6.392
  445    HG   CYS 184           HG       CYS 184 -15.156  -8.114  -9.319
  446    H    HIS 185           H        HIS 185 -14.215  -5.583  -6.336
  447    HA   HIS 185           HA       HIS 185 -13.678  -4.746  -9.048
  448    HB2  HIS 185           HB2      HIS 185 -15.481  -3.725  -7.661
  449    HB3  HIS 185           HB1      HIS 185 -14.242  -3.028  -6.622
  450    HD1  HIS 185           HD1      HIS 185 -12.960  -0.985  -7.501
  451    HD2  HIS 185           HD2      HIS 185 -15.728  -2.522 -10.200
  452    HE1  HIS 185           HE1      HIS 185 -13.198   0.760  -9.302
  453    HE2  HIS 185           HE2      HIS 185 -14.744  -0.269 -11.007
  454    H    PHE 186           H        PHE 186 -11.918  -4.908  -6.075
  455    HA   PHE 186           HA       PHE 186 -10.034  -2.890  -6.489
  456    HB2  PHE 186           HB2      PHE 186 -10.417  -4.149  -4.352
  457    HB3  PHE 186           HB1      PHE 186  -9.575  -5.518  -5.072
  458    HD1  PHE 186           HD2      PHE 186  -8.872  -1.872  -5.128
  459    HD2  PHE 186           HD1      PHE 186  -7.554  -5.753  -4.002
  460    HE1  PHE 186           HE2      PHE 186  -6.732  -0.927  -4.397
  461    HE2  PHE 186           HE1      PHE 186  -5.410  -4.814  -3.265
  462    HZ   PHE 186           HZ       PHE 186  -4.991  -2.394  -3.461
  463    H    LYS 187           H        LYS 187 -10.010  -6.323  -7.392
  464    HA   LYS 187           HA       LYS 187  -7.479  -6.018  -8.760
  465    HB2  LYS 187           HB2      LYS 187  -9.413  -8.326  -8.594
  466    HB3  LYS 187           HB1      LYS 187  -7.909  -8.381  -9.506
  467    HG2  LYS 187           HG2      LYS 187  -6.780  -7.725  -7.296
  468    HG3  LYS 187           HG1      LYS 187  -8.304  -8.204  -6.546
  469    HD2  LYS 187           HD2      LYS 187  -8.115 -10.420  -7.496
  470    HD3  LYS 187           HD1      LYS 187  -6.655  -9.949  -8.366
  471    HE2  LYS 187           HE2      LYS 187  -5.640  -9.442  -6.096
  472    HE3  LYS 187           HE1      LYS 187  -7.032 -10.273  -5.400
  473    HZ1  LYS 187           HZ1      LYS 187  -6.400 -12.198  -6.862
  474    HZ2  LYS 187           HZ2      LYS 187  -5.333 -11.873  -5.592
  475    HZ3  LYS 187           HZ3      LYS 187  -4.936 -11.396  -7.173
  476    H    SER 188           H        SER 188  -9.958  -4.503  -9.596
  477    HA   SER 188           HA       SER 188  -9.749  -5.176 -12.454
  478    HB2  SER 188           HB2      SER 188 -12.204  -4.103 -11.035
  479    HB3  SER 188           HB1      SER 188 -12.080  -4.490 -12.751
  480    HG   SER 188           HG       SER 188 -11.295  -6.622 -11.401
  481    H    ILE 189           H        ILE 189  -8.332  -3.266 -10.607
  482    HA   ILE 189           HA       ILE 189  -9.149  -0.687 -11.716
  483    HB   ILE 189           HB       ILE 189  -7.202  -1.395  -9.522
  484   HG12  ILE 189          2HG1      ILE 189  -9.875   0.023  -9.452
  485   HG13  ILE 189          1HG1      ILE 189  -9.578  -1.629  -8.924
  486   HG21  ILE 189          1HG2      ILE 189  -6.394   0.557 -10.724
  487   HG22  ILE 189          2HG2      ILE 189  -6.984   1.012  -9.125
  488   HG23  ILE 189          3HG2      ILE 189  -7.968   1.335 -10.551
  489   HD11  ILE 189          3HD1      ILE 189  -9.724  -0.110  -7.039
  490   HD12  ILE 189          1HD1      ILE 189  -8.403   0.857  -7.698
  491   HD13  ILE 189          2HD1      ILE 189  -8.105  -0.798  -7.166
  492    HA   PRO 190           HA       PRO 190  -5.710  -1.025 -14.617
  493    HB2  PRO 190           HB2      PRO 190  -6.654   1.554 -15.588
  494    HB3  PRO 190           HB1      PRO 190  -6.626   0.000 -16.425
  495    HG2  PRO 190           HG2      PRO 190  -8.925   1.216 -15.640
  496    HG3  PRO 190           HG1      PRO 190  -8.750  -0.543 -15.761
  497    HD2  PRO 190           HD2      PRO 190  -8.661   1.207 -13.335
  498    HD3  PRO 190           HD1      PRO 190  -9.410  -0.390 -13.550
  499    H    VAL 191           H        VAL 191  -3.770  -0.507 -13.772
  500    HA   VAL 191           HA       VAL 191  -3.491   2.129 -12.492
  501    HB   VAL 191           HB       VAL 191  -3.546   0.116 -10.954
  502   HG11  VAL 191          1HG1      VAL 191  -0.842  -0.399 -12.175
  503   HG12  VAL 191          2HG1      VAL 191  -2.265  -1.437 -12.290
  504   HG13  VAL 191          3HG1      VAL 191  -1.483  -1.180 -10.730
  505   HG21  VAL 191          3HG2      VAL 191  -1.087   1.849 -10.897
  506   HG22  VAL 191          1HG2      VAL 191  -1.740   0.937  -9.538
  507   HG23  VAL 191          2HG2      VAL 191  -2.672   2.262 -10.239
  508    H    ASN 192           H        ASN 192  -1.356   3.060 -12.513
  509    HA   ASN 192           HA       ASN 192   0.191   2.271 -14.896
  510    HB2  ASN 192           HB2      ASN 192  -0.100   4.940 -13.498
  511    HB3  ASN 192           HB1      ASN 192   1.089   4.634 -14.758
  512   HD21  ASN 192          1HD2      ASN 192  -1.238   6.456 -14.595
  513   HD22  ASN 192          2HD2      ASN 192  -2.163   6.118 -16.015
  514    H    GLU 193           H        GLU 193   2.465   2.124 -14.742
  515    HA   GLU 193           HA       GLU 193   3.460   1.384 -12.172
  516    HB2  GLU 193           HB2      GLU 193   4.280   0.322 -14.221
  517    HB3  GLU 193           HB1      GLU 193   4.931   1.861 -14.770
  518    HG2  GLU 193           HG2      GLU 193   6.481   1.888 -12.894
  519    HG3  GLU 193           HG1      GLU 193   5.822   0.359 -12.317
  520    H    LYS 194           H        LYS 194   4.550   3.930 -14.422
  521    HA   LYS 194           HA       LYS 194   6.188   5.132 -12.412
  522    HB2  LYS 194           HB2      LYS 194   6.740   5.130 -14.817
  523    HB3  LYS 194           HB1      LYS 194   5.399   6.232 -15.101
  524    HG2  LYS 194           HG2      LYS 194   6.450   7.923 -13.741
  525    HG3  LYS 194           HG1      LYS 194   7.756   6.810 -13.323
  526    HD2  LYS 194           HD2      LYS 194   8.566   8.238 -15.040
  527    HD3  LYS 194           HD1      LYS 194   8.279   6.653 -15.758
  528    HE2  LYS 194           HE2      LYS 194   6.099   7.462 -16.593
  529    HE3  LYS 194           HE1      LYS 194   6.461   9.055 -15.935
  530    HZ1  LYS 194           HZ1      LYS 194   7.897   7.645 -18.116
  531    HZ2  LYS 194           HZ2      LYS 194   8.470   9.062 -17.382
  532    HZ3  LYS 194           HZ3      LYS 194   6.998   9.083 -18.228
  533    H    ASP 195           H        ASP 195   3.142   6.023 -13.975
  534    HA   ASP 195           HA       ASP 195   2.938   8.585 -12.843
  535    HB2  ASP 195           HB2      ASP 195   1.625   7.879 -14.793
  536    HB3  ASP 195           HB1      ASP 195   0.720   6.755 -13.783
  537    H    THR 196           H        THR 196   1.727   5.450 -11.752
  538    HA   THR 196           HA       THR 196   0.275   6.532  -9.559
  539    HB   THR 196           HB       THR 196   1.146   3.701 -10.141
  540    HG1  THR 196           HG1      THR 196  -1.342   5.065 -10.489
  541   HG21  THR 196          3HG2      THR 196  -0.523   3.022  -8.493
  542   HG22  THR 196          1HG2      THR 196  -0.867   4.713  -8.126
  543   HG23  THR 196          2HG2      THR 196   0.714   4.030  -7.744
  544    H    LEU 197           H        LEU 197   3.504   5.049  -9.908
  545    HA   LEU 197           HA       LEU 197   4.218   5.069  -7.205
  546    HB2  LEU 197           HB2      LEU 197   5.920   5.569  -9.645
  547    HB3  LEU 197           HB1      LEU 197   6.575   5.395  -8.030
  548    HG   LEU 197           HG       LEU 197   5.163   3.293  -9.664
  549   HD11  LEU 197          1HD1      LEU 197   7.963   3.565  -8.587
  550   HD12  LEU 197          2HD1      LEU 197   7.463   3.613 -10.281
  551   HD13  LEU 197          3HD1      LEU 197   7.322   2.111  -9.364
  552   HD21  LEU 197          3HD2      LEU 197   4.433   3.107  -7.354
  553   HD22  LEU 197          1HD2      LEU 197   6.106   3.164  -6.803
  554   HD23  LEU 197          2HD2      LEU 197   5.539   1.794  -7.758
  555    H    THR 198           H        THR 198   4.629   7.586  -9.664
  556    HA   THR 198           HA       THR 198   5.773   9.544  -8.031
  557    HB   THR 198           HB       THR 198   3.929  10.055 -10.375
  558    HG1  THR 198           HG1      THR 198   5.419   8.747 -11.263
  559   HG21  THR 198          3HG2      THR 198   4.563  12.059  -9.123
  560   HG22  THR 198          1HG2      THR 198   5.345  12.036 -10.704
  561   HG23  THR 198          2HG2      THR 198   6.264  11.615  -9.259
  562    H    CYS 199           H        CYS 199   2.376   8.898  -8.815
  563    HA   CYS 199           HA       CYS 199   1.152  10.980  -7.457
  564    HB2  CYS 199           HB2      CYS 199   0.243   8.917  -8.902
  565    HB3  CYS 199           HB1      CYS 199  -0.091   8.279  -7.293
  566    HG   CYS 199           HG       CYS 199  -1.783  10.475  -9.064
  567    H    PHE 200           H        PHE 200   1.868   7.706  -6.271
  568    HA   PHE 200           HA       PHE 200   0.895   8.026  -3.677
  569    HB2  PHE 200           HB2      PHE 200   1.355   5.834  -4.548
  570    HB3  PHE 200           HB1      PHE 200   3.061   6.221  -4.768
  571    HD1  PHE 200           HD2      PHE 200   0.474   6.005  -2.090
  572    HD2  PHE 200           HD1      PHE 200   4.569   5.574  -3.164
  573    HE1  PHE 200           HE2      PHE 200   0.965   5.116   0.149
  574    HE2  PHE 200           HE1      PHE 200   5.067   4.685  -0.927
  575    HZ   PHE 200           HZ       PHE 200   3.264   4.454   0.732
  576    H    ILE 201           H        ILE 201   4.207   8.441  -4.900
  577    HA   ILE 201           HA       ILE 201   5.483   8.932  -2.486
  578    HB   ILE 201           HB       ILE 201   6.125  10.086  -5.207
  579   HG12  ILE 201          2HG1      ILE 201   7.286   7.682  -3.779
  580   HG13  ILE 201          1HG1      ILE 201   6.044   7.585  -5.020
  581   HG21  ILE 201          1HG2      ILE 201   7.877   9.863  -2.761
  582   HG22  ILE 201          2HG2      ILE 201   7.211  11.357  -3.422
  583   HG23  ILE 201          3HG2      ILE 201   8.387  10.430  -4.354
  584   HD11  ILE 201          3HD1      ILE 201   7.641   8.664  -6.595
  585   HD12  ILE 201          1HD1      ILE 201   8.145   7.074  -6.014
  586   HD13  ILE 201          2HD1      ILE 201   8.876   8.535  -5.342
  587    H    TYR 202           H        TYR 202   4.083  11.313  -4.749
  588    HA   TYR 202           HA       TYR 202   4.639  13.541  -3.084
  589    HB2  TYR 202           HB2      TYR 202   2.872  13.125  -5.471
  590    HB3  TYR 202           HB1      TYR 202   2.815  14.638  -4.570
  591    HD1  TYR 202           HD2      TYR 202   5.020  12.425  -6.557
  592    HD2  TYR 202           HD1      TYR 202   4.517  16.272  -4.809
  593    HE1  TYR 202           HE2      TYR 202   6.984  13.240  -7.793
  594    HE2  TYR 202           HE1      TYR 202   6.478  17.093  -6.039
  595    HH   TYR 202           HH       TYR 202   8.470  16.248  -7.095
  596    H    SER 203           H        SER 203   1.938  11.321  -3.254
  597    HA   SER 203           HA       SER 203   0.068  12.843  -1.790
  598    HB2  SER 203           HB2      SER 203   0.368   9.830  -1.934
  599    HB3  SER 203           HB1      SER 203  -1.059  10.693  -1.358
  600    HG   SER 203           HG       SER 203   0.048  10.791  -3.977
  601    H    VAL 204           H        VAL 204   2.349  10.327  -0.723
  602    HA   VAL 204           HA       VAL 204   1.675  10.568   2.028
  603    HB   VAL 204           HB       VAL 204   4.274   9.488   0.933
  604   HG11  VAL 204          1HG1      VAL 204   4.204   8.041   2.899
  605   HG12  VAL 204          2HG1      VAL 204   2.700   8.804   3.413
  606   HG13  VAL 204          3HG1      VAL 204   4.191   9.745   3.355
  607   HG21  VAL 204          3HG2      VAL 204   3.175   7.304   0.803
  608   HG22  VAL 204          1HG2      VAL 204   2.441   8.473  -0.295
  609   HG23  VAL 204          2HG2      VAL 204   1.634   8.059   1.218
  610    H    ARG 205           H        ARG 205   3.914  12.182  -0.085
  611    HA   ARG 205           HA       ARG 205   5.249  13.557   2.093
  612    HB2  ARG 205           HB2      ARG 205   5.501  13.673  -0.905
  613    HB3  ARG 205           HB1      ARG 205   6.360  14.785   0.155
  614    HG2  ARG 205           HG2      ARG 205   7.600  13.030   1.146
  615    HG3  ARG 205           HG1      ARG 205   6.579  11.798   0.404
  616    HD2  ARG 205           HD2      ARG 205   8.768  12.042  -0.714
  617    HD3  ARG 205           HD1      ARG 205   7.405  12.366  -1.783
  618    HE   ARG 205           HE       ARG 205   8.239  14.798  -0.686
  619   HH11  ARG 205          1HH1      ARG 205   9.461  12.315  -2.825
  620   HH12  ARG 205          2HH1      ARG 205  10.432  13.404  -3.762
  621   HH21  ARG 205          1HH2      ARG 205   9.507  16.242  -1.898
  622   HH22  ARG 205          2HH2      ARG 205  10.441  15.656  -3.248
  623    H    ASN 206           H        ASN 206   2.274  13.861   1.219
  624    HA   ASN 206           HA       ASN 206   2.314  16.803   1.366
  625    HB2  ASN 206           HB2      ASN 206   0.704  14.997  -0.318
  626    HB3  ASN 206           HB1      ASN 206  -0.214  16.264   0.487
  627   HD21  ASN 206          1HD2      ASN 206   1.944  18.179   0.488
  628   HD22  ASN 206          2HD2      ASN 206   2.107  18.728  -1.150
  629    H    ASP 207           H        ASP 207  -0.370  14.540   1.790
  630    HA   ASP 207           HA       ASP 207  -0.400  15.089   4.639
  631    HB2  ASP 207           HB2      ASP 207  -2.862  15.638   4.540
  632    HB3  ASP 207           HB1      ASP 207  -1.792  16.878   3.898
  633    H    LYS 208           H        LYS 208  -3.192  13.915   2.947
  634    HA   LYS 208           HA       LYS 208  -4.263  11.936   2.934
  635    HB2  LYS 208           HB2      LYS 208  -1.487  10.751   3.073
  636    HB3  LYS 208           HB1      LYS 208  -2.951   9.907   2.602
  637    HG2  LYS 208           HG2      LYS 208  -1.550  12.116   1.130
  638    HG3  LYS 208           HG1      LYS 208  -1.787  10.445   0.614
  639    HD2  LYS 208           HD2      LYS 208  -4.169  10.798   0.422
  640    HD3  LYS 208           HD1      LYS 208  -4.006  12.434   1.067
  641    HE2  LYS 208           HE2      LYS 208  -2.568  12.992  -0.877
  642    HE3  LYS 208           HE1      LYS 208  -2.905  11.393  -1.539
  643    HZ1  LYS 208           HZ1      LYS 208  -4.336  13.128  -2.474
  644    HZ2  LYS 208           HZ2      LYS 208  -4.962  13.450  -0.928
  645    HZ3  LYS 208           HZ3      LYS 208  -5.232  11.943  -1.659
  646    H    ASN 209           H        ASN 209  -5.136  12.488   4.955
  647    HA   ASN 209           HA       ASN 209  -5.904  11.889   7.015
  648    HB2  ASN 209           HB2      ASN 209  -5.401   9.528   6.354
  649    HB3  ASN 209           HB1      ASN 209  -3.788   9.721   7.028
  650   HD21  ASN 209          1HD2      ASN 209  -4.058   8.126   8.549
  651   HD22  ASN 209          2HD2      ASN 209  -5.111   8.290   9.909
  652    H    LYS 210           H        LYS 210  -5.113  11.791   9.361
  653    HA   LYS 210           HA       LYS 210  -3.946  12.674  11.094
  654    HB2  LYS 210           HB2      LYS 210  -1.941  11.614  10.085
  655    HB3  LYS 210           HB1      LYS 210  -1.677  13.061   9.126
  656    HG2  LYS 210           HG2      LYS 210  -1.366  14.353  11.194
  657    HG3  LYS 210           HG1      LYS 210  -1.573  12.872  12.131
  658    HD2  LYS 210           HD2      LYS 210   0.373  11.896  10.976
  659    HD3  LYS 210           HD1      LYS 210   0.589  13.407  10.092
  660    HE2  LYS 210           HE2      LYS 210   2.127  13.397  11.921
  661    HE3  LYS 210           HE1      LYS 210   0.860  14.566  12.284
  662    HZ1  LYS 210           HZ1      LYS 210   1.038  11.802  13.368
  663    HZ2  LYS 210           HZ2      LYS 210  -0.194  12.911  13.712
  664    HZ3  LYS 210           HZ3      LYS 210   1.390  13.227  14.213
  665    H    SER 211           H        SER 211  -4.670  14.531  11.834
  666    HA   SER 211           HA       SER 211  -5.170  16.771  10.157
  667    HB2  SER 211           HB2      SER 211  -5.152  16.621  13.178
  668    HB3  SER 211           HB1      SER 211  -5.900  17.887  12.204
  669    HG   SER 211           HG       SER 211  -7.571  16.650  11.914
  670    H    ASP 212           H        ASP 212  -2.581  15.812  12.259
  671    HA   ASP 212           HA       ASP 212  -0.530  16.658  12.711
  672    HB2  ASP 212           HB2      ASP 212  -0.340  16.736  10.237
  673    HB3  ASP 212           HB1      ASP 212  -0.979  18.377  10.259
  674    H    LEU 213           H        LEU 213  -1.129  17.551  14.618
  675    HA   LEU 213           HA       LEU 213  -1.384  19.112  16.217
  676    HB2  LEU 213           HB2      LEU 213  -0.521  20.834  13.946
  677    HB3  LEU 213           HB1      LEU 213  -1.121  21.589  15.409
  678    HG   LEU 213           HG       LEU 213   0.642  20.312  16.677
  679   HD11  LEU 213          1HD1      LEU 213   2.562  19.479  15.405
  680   HD12  LEU 213          2HD1      LEU 213   1.682  19.762  13.904
  681   HD13  LEU 213          3HD1      LEU 213   1.096  18.563  15.057
  682   HD21  LEU 213          3HD2      LEU 213   0.878  22.674  16.110
  683   HD22  LEU 213          1HD2      LEU 213   1.595  22.232  14.561
  684   HD23  LEU 213          2HD2      LEU 213   2.432  21.840  16.063
  685    H    LYS 214           H        LYS 214  -3.381  19.025  16.910
  686    HA   LYS 214           HA       LYS 214  -5.606  19.938  15.291
  687    HB2  LYS 214           HB2      LYS 214  -5.806  17.929  16.703
  688    HB3  LYS 214           HB1      LYS 214  -5.511  18.903  18.133
  689    HG2  LYS 214           HG2      LYS 214  -7.584  20.156  17.678
  690    HG3  LYS 214           HG1      LYS 214  -7.885  19.104  16.294
  691    HD2  LYS 214           HD2      LYS 214  -7.597  18.162  19.146
  692    HD3  LYS 214           HD1      LYS 214  -9.136  18.427  18.327
  693    HE2  LYS 214           HE2      LYS 214  -7.005  16.501  17.407
  694    HE3  LYS 214           HE1      LYS 214  -8.416  16.053  18.362
  695    HZ1  LYS 214           HZ1      LYS 214  -8.626  17.386  15.722
  696    HZ2  LYS 214           HZ2      LYS 214  -9.851  16.611  16.598
  697    HZ3  LYS 214           HZ3      LYS 214  -8.601  15.703  15.903
  698    H    ALA 215           H        ALA 215  -3.642  21.047  17.922
  699    HA   ALA 215           HA       ALA 215  -4.827  23.695  17.712
  700    HB1  ALA 215           HB1      ALA 215  -5.048  23.948  20.139
  701    HB2  ALA 215           HB2      ALA 215  -4.590  22.259  20.360
  702    HB3  ALA 215           HB3      ALA 215  -6.094  22.664  19.532
  703    H    ASP 216           H        ASP 216  -3.384  25.334  18.209
  704    HA   ASP 216           HA       ASP 216  -0.634  24.684  17.949
  705    HB2  ASP 216           HB2      ASP 216  -0.227  27.090  18.161
  706    HB3  ASP 216           HB1      ASP 216  -1.573  26.783  17.069
  707    H    SER 217           H        SER 217  -2.641  25.654  20.686
  708    HA   SER 217           HA       SER 217  -0.741  24.524  22.525
  709    HB2  SER 217           HB2      SER 217   0.044  26.918  22.005
  710    HB3  SER 217           HB1      SER 217  -1.396  27.452  22.870
  711    HG   SER 217           HG       SER 217  -0.612  26.626  24.733
  712    H    GLY 218           H        GLY 218  -1.660  24.159  24.588
  713    HA2  GLY 218           HA2      GLY 218  -4.226  25.246  25.286
  714    HA3  GLY 218           HA1      GLY 218  -4.334  23.576  24.747
  715    H    VAL 219           H        VAL 219  -2.185  25.500  26.846
  716    HA   VAL 219           HA       VAL 219  -1.550  23.323  28.534
  717    HB   VAL 219           HB       VAL 219  -0.076  25.267  28.384
  718   HG11  VAL 219          1HG1      VAL 219  -2.291  26.772  29.771
  719   HG12  VAL 219          2HG1      VAL 219  -1.699  27.042  28.131
  720   HG13  VAL 219          3HG1      VAL 219  -0.656  27.381  29.512
  721   HG21  VAL 219          3HG2      VAL 219  -1.182  24.915  31.166
  722   HG22  VAL 219          1HG2      VAL 219   0.406  25.562  30.752
  723   HG23  VAL 219          2HG2      VAL 219   0.018  23.880  30.391
  724    H    HIS 220           H        HIS 220  -2.647  22.416  30.131
  725    HA   HIS 220           HA       HIS 220  -4.713  23.977  31.512
  726    HB2  HIS 220           HB2      HIS 220  -5.012  21.225  30.317
  727    HB3  HIS 220           HB1      HIS 220  -6.056  21.794  31.617
  728    HD1  HIS 220           HD1      HIS 220  -6.052  21.537  28.085
  729    HD2  HIS 220           HD2      HIS 220  -7.219  24.486  30.781
  730    HE1  HIS 220           HE1      HIS 220  -7.640  23.023  26.823
  731    HE2  HIS 220           HE2      HIS 220  -8.394  24.762  28.491
  732    H1   SER 454           HT1      SER 454  33.072  11.588   7.577
  733    H2   SER 454           HT2      SER 454  32.740  11.485   5.918
  734    H3   SER 454           HT3      SER 454  31.808  12.498   6.905
  735    HA   SER 454           HA       SER 454  33.693  13.894   7.335
  736    HB2  SER 454           HB2      SER 454  35.142  12.079   5.392
  737    HB3  SER 454           HB1      SER 454  35.800  13.531   6.144
  738    HG   SER 454           HG       SER 454  36.453  12.168   7.613
  739    H    ASN 455           H        ASN 455  33.163  12.369   4.137
  740    HA   ASN 455           HA       ASN 455  32.390  15.025   3.123
  741    HB2  ASN 455           HB2      ASN 455  34.445  13.160   2.043
  742    HB3  ASN 455           HB1      ASN 455  33.425  13.995   0.878
  743   HD21  ASN 455          1HD2      ASN 455  34.221  15.488   3.917
  744   HD22  ASN 455          2HD2      ASN 455  35.323  16.659   3.277
  745    H    ALA 456           H        ALA 456  30.511  15.054   2.089
  746    HA   ALA 456           HA       ALA 456  29.498  12.742   0.682
  747    HB1  ALA 456           HB1      ALA 456  27.404  12.607   1.945
  748    HB2  ALA 456           HB2      ALA 456  27.994  13.834   3.067
  749    HB3  ALA 456           HB3      ALA 456  28.788  12.262   2.980
  750    H    SER 457           H        SER 457  28.022  13.312  -0.889
  751    HA   SER 457           HA       SER 457  27.726  16.194  -1.272
  752    HB2  SER 457           HB2      SER 457  28.679  14.672  -3.073
  753    HB3  SER 457           HB1      SER 457  27.050  14.026  -3.264
  754    HG   SER 457           HG       SER 457  27.214  16.781  -3.285
  755    H    LYS 458           H        LYS 458  26.114  16.508   0.266
  756    HA   LYS 458           HA       LYS 458  24.024  16.871   1.007
  757    HB2  LYS 458           HB2      LYS 458  23.867  17.884  -1.268
  758    HB3  LYS 458           HB1      LYS 458  23.158  16.376  -1.837
  759    HG2  LYS 458           HG2      LYS 458  21.287  16.654  -0.323
  760    HG3  LYS 458           HG1      LYS 458  22.006  18.124   0.331
  761    HD2  LYS 458           HD2      LYS 458  20.308  18.749  -1.236
  762    HD3  LYS 458           HD1      LYS 458  21.879  19.122  -1.950
  763    HE2  LYS 458           HE2      LYS 458  21.776  17.123  -3.307
  764    HE3  LYS 458           HE1      LYS 458  20.273  16.637  -2.525
  765    HZ1  LYS 458           HZ1      LYS 458  20.694  18.967  -4.313
  766    HZ2  LYS 458           HZ2      LYS 458  19.291  18.741  -3.395
  767    HZ3  LYS 458           HZ3      LYS 458  19.706  17.616  -4.591
  768    H    HIS 459           H        HIS 459  22.953  14.603  -1.490
  769    HA   HIS 459           HA       HIS 459  21.672  12.740  -1.404
  770    HB2  HIS 459           HB2      HIS 459  22.985  12.384   1.295
  771    HB3  HIS 459           HB1      HIS 459  21.895  11.205   0.580
  772    HD1  HIS 459           HD1      HIS 459  25.189  11.245   1.187
  773    HD2  HIS 459           HD2      HIS 459  23.115  11.045  -2.413
  774    HE1  HIS 459           HE1      HIS 459  26.781  10.201  -0.461
  775    HE2  HIS 459           HE2      HIS 459  25.554  10.232  -2.665
  776    H    GLY 460           H        GLY 460  19.751  13.854  -1.498
  777    HA2  GLY 460           HA2      GLY 460  18.408  14.360   1.083
  778    HA3  GLY 460           HA1      GLY 460  18.004  15.145  -0.436
  779    H    VAL 461           H        VAL 461  16.314  14.399  -1.503
  780    HA   VAL 461           HA       VAL 461  15.164  11.823  -0.681
  781    HB   VAL 461           HB       VAL 461  13.843  14.018  -0.626
  782   HG11  VAL 461          1HG1      VAL 461  14.515  14.941  -2.745
  783   HG12  VAL 461          2HG1      VAL 461  12.768  14.689  -2.730
  784   HG13  VAL 461          3HG1      VAL 461  13.812  13.567  -3.601
  785   HG21  VAL 461          3HG2      VAL 461  12.796  11.815  -0.430
  786   HG22  VAL 461          1HG2      VAL 461  12.657  11.733  -2.187
  787   HG23  VAL 461          2HG2      VAL 461  11.769  12.962  -1.289
  788    H    GLY 462           H        GLY 462  14.205  10.438  -2.443
  789    HA2  GLY 462           HA2      GLY 462  14.228  10.288  -4.990
  790    HA3  GLY 462           HA1      GLY 462  15.955  10.562  -4.828
  791    H    THR 463           H        THR 463  15.275   8.812  -2.204
  792    HA   THR 463           HA       THR 463  16.313   6.404  -3.424
  793    HB   THR 463           HB       THR 463  17.293   7.096  -1.323
  794    HG1  THR 463           HG1      THR 463  15.839   4.694  -1.432
  795   HG21  THR 463          3HG2      THR 463  14.532   6.771  -0.147
  796   HG22  THR 463          1HG2      THR 463  15.406   8.288  -0.358
  797   HG23  THR 463          2HG2      THR 463  16.006   7.072   0.771
  798    H    GLU 464           H        GLU 464  13.297   7.658  -3.008
  799    HA   GLU 464           HA       GLU 464  11.707   5.494  -2.251
  800    HB2  GLU 464           HB2      GLU 464  11.022   7.497  -4.410
  801    HB3  GLU 464           HB1      GLU 464   9.895   6.562  -3.442
  802    HG2  GLU 464           HG2      GLU 464   9.799   8.666  -2.490
  803    HG3  GLU 464           HG1      GLU 464  10.915   7.803  -1.432
  804    H    SER 465           H        SER 465  13.219   6.300  -5.317
  805    HA   SER 465           HA       SER 465  12.003   4.371  -6.941
  806    HB2  SER 465           HB2      SER 465  13.426   6.250  -7.775
  807    HB3  SER 465           HB1      SER 465  14.844   5.409  -7.153
  808    HG   SER 465           HG       SER 465  14.677   3.911  -8.697
  809    H    LEU 466           H        LEU 466  14.817   4.220  -4.824
  810    HA   LEU 466           HA       LEU 466  15.670   1.627  -5.425
  811    HB2  LEU 466           HB2      LEU 466  16.997   3.205  -4.101
  812    HB3  LEU 466           HB1      LEU 466  15.812   3.138  -2.811
  813    HG   LEU 466           HG       LEU 466  16.341   0.721  -2.515
  814   HD11  LEU 466          1HD1      LEU 466  18.414  -0.137  -3.515
  815   HD12  LEU 466          2HD1      LEU 466  18.535   1.331  -4.488
  816   HD13  LEU 466          3HD1      LEU 466  17.182   0.222  -4.724
  817   HD21  LEU 466          3HD2      LEU 466  18.656   2.635  -2.243
  818   HD22  LEU 466          1HD2      LEU 466  18.499   1.087  -1.411
  819   HD23  LEU 466          2HD2      LEU 466  17.359   2.389  -1.074
  820    H    PHE 467           H        PHE 467  13.478   2.797  -2.877
  821    HA   PHE 467           HA       PHE 467  12.698   0.374  -1.799
  822    HB2  PHE 467           HB2      PHE 467  11.999   2.422  -0.772
  823    HB3  PHE 467           HB1      PHE 467  11.123   2.914  -2.218
  824    HD1  PHE 467           HD1      PHE 467  11.178   0.194   0.332
  825    HD2  PHE 467           HD2      PHE 467   8.851   2.568  -2.324
  826    HE1  PHE 467           HE1      PHE 467   9.122  -0.818   1.230
  827    HE2  PHE 467           HE2      PHE 467   6.794   1.560  -1.431
  828    HZ   PHE 467           HZ       PHE 467   6.929  -0.136   0.348
  829    H    PHE 468           H        PHE 468  11.105   2.102  -4.493
  830    HA   PHE 468           HA       PHE 468   9.120   0.127  -4.843
  831    HB2  PHE 468           HB2      PHE 468  10.103   2.300  -6.686
  832    HB3  PHE 468           HB1      PHE 468   8.735   1.256  -7.060
  833    HD1  PHE 468           HD2      PHE 468   7.136   1.049  -4.800
  834    HD2  PHE 468           HD1      PHE 468   9.461   4.396  -6.019
  835    HE1  PHE 468           HE2      PHE 468   5.646   2.539  -3.531
  836    HE2  PHE 468           HE1      PHE 468   7.976   5.891  -4.754
  837    HZ   PHE 468           HZ       PHE 468   6.066   4.964  -3.506
  838    H    ASP 469           H        ASP 469  12.302   0.548  -6.286
  839    HA   ASP 469           HA       ASP 469  12.059  -1.440  -8.272
  840    HB2  ASP 469           HB2      ASP 469  13.914   0.130  -8.300
  841    HB3  ASP 469           HB1      ASP 469  14.497  -0.482  -6.756
  842    H    LYS 470           H        LYS 470  13.140  -1.570  -4.905
  843    HA   LYS 470           HA       LYS 470  13.694  -4.303  -4.728
  844    HB2  LYS 470           HB2      LYS 470  12.580  -2.402  -2.660
  845    HB3  LYS 470           HB1      LYS 470  13.118  -4.035  -2.297
  846    HG2  LYS 470           HG2      LYS 470  15.372  -3.491  -2.914
  847    HG3  LYS 470           HG1      LYS 470  14.870  -1.892  -3.474
  848    HD2  LYS 470           HD2      LYS 470  14.260  -1.243  -1.239
  849    HD3  LYS 470           HD1      LYS 470  14.567  -2.873  -0.638
  850    HE2  LYS 470           HE2      LYS 470  16.649  -1.063  -1.855
  851    HE3  LYS 470           HE1      LYS 470  16.381  -1.261  -0.125
  852    HZ1  LYS 470           HZ1      LYS 470  18.138  -2.690  -0.657
  853    HZ2  LYS 470           HZ2      LYS 470  17.385  -3.263  -2.063
  854    HZ3  LYS 470           HZ3      LYS 470  16.789  -3.710  -0.541
  855    H    VAL 471           H        VAL 471  10.666  -2.562  -4.041
  856    HA   VAL 471           HA       VAL 471   9.042  -4.757  -3.456
  857    HB   VAL 471           HB       VAL 471   8.252  -2.169  -4.811
  858   HG11  VAL 471          1HG1      VAL 471   6.514  -3.841  -5.070
  859   HG12  VAL 471          2HG1      VAL 471   6.009  -2.608  -3.915
  860   HG13  VAL 471          3HG1      VAL 471   6.557  -4.183  -3.339
  861   HG21  VAL 471          3HG2      VAL 471   8.311  -2.935  -1.897
  862   HG22  VAL 471          1HG2      VAL 471   7.626  -1.444  -2.542
  863   HG23  VAL 471          2HG2      VAL 471   9.354  -1.761  -2.700
  864    H    ARG 472           H        ARG 472   9.751  -3.207  -6.543
  865    HA   ARG 472           HA       ARG 472   7.992  -4.613  -8.184
  866    HB2  ARG 472           HB2      ARG 472   9.228  -2.593  -8.853
  867    HB3  ARG 472           HB1      ARG 472  10.724  -3.505  -8.866
  868    HG2  ARG 472           HG2      ARG 472   9.874  -4.865 -10.674
  869    HG3  ARG 472           HG1      ARG 472   8.348  -3.991 -10.642
  870    HD2  ARG 472           HD2      ARG 472   9.823  -3.197 -12.438
  871    HD3  ARG 472           HD1      ARG 472   9.480  -1.937 -11.256
  872    HE   ARG 472           HE       ARG 472  11.789  -2.842 -10.324
  873   HH11  ARG 472          1HH1      ARG 472  10.844  -2.155 -13.629
  874   HH12  ARG 472          2HH1      ARG 472  12.457  -1.703 -14.124
  875   HH21  ARG 472          1HH2      ARG 472  13.897  -2.224 -10.957
  876   HH22  ARG 472          2HH2      ARG 472  14.190  -1.765 -12.616
  877    H    LYS 473           H        LYS 473  11.229  -5.456  -7.066
  878    HA   LYS 473           HA       LYS 473  11.290  -7.853  -8.713
  879    HB2  LYS 473           HB2      LYS 473  13.321  -6.463  -8.244
  880    HB3  LYS 473           HB1      LYS 473  13.230  -6.984  -6.566
  881    HG2  LYS 473           HG2      LYS 473  13.519  -9.307  -7.282
  882    HG3  LYS 473           HG1      LYS 473  13.634  -8.769  -8.958
  883    HD2  LYS 473           HD2      LYS 473  15.596  -7.378  -8.306
  884    HD3  LYS 473           HD1      LYS 473  15.515  -8.099  -6.697
  885    HE2  LYS 473           HE2      LYS 473  17.161  -9.293  -7.938
  886    HE3  LYS 473           HE1      LYS 473  15.752 -10.339  -7.783
  887    HZ1  LYS 473           HZ1      LYS 473  16.645  -8.830 -10.173
  888    HZ2  LYS 473           HZ2      LYS 473  15.094  -9.505 -10.054
  889    HZ3  LYS 473           HZ3      LYS 473  16.459 -10.508 -10.005
  890    H    ALA 474           H        ALA 474  10.823  -6.983  -5.344
  891    HA   ALA 474           HA       ALA 474  11.159  -9.558  -4.246
  892    HB1  ALA 474           HB1      ALA 474   9.581  -7.256  -3.120
  893    HB2  ALA 474           HB2      ALA 474  11.326  -7.458  -2.972
  894    HB3  ALA 474           HB3      ALA 474  10.238  -8.628  -2.226
  895    H    LEU 475           H        LEU 475   8.200  -7.762  -5.093
  896    HA   LEU 475           HA       LEU 475   6.409  -9.718  -4.137
  897    HB2  LEU 475           HB2      LEU 475   6.181  -7.344  -5.924
  898    HB3  LEU 475           HB1      LEU 475   4.863  -8.499  -5.924
  899    HG   LEU 475           HG       LEU 475   4.510  -8.151  -3.539
  900   HD11  LEU 475          1HD1      LEU 475   5.732  -6.430  -2.310
  901   HD12  LEU 475          2HD1      LEU 475   6.786  -6.183  -3.702
  902   HD13  LEU 475          3HD1      LEU 475   6.803  -7.725  -2.846
  903   HD21  LEU 475          3HD2      LEU 475   3.320  -6.691  -5.066
  904   HD22  LEU 475          1HD2      LEU 475   4.681  -5.572  -5.096
  905   HD23  LEU 475          2HD2      LEU 475   3.763  -5.802  -3.609
  906    H    ARG 476           H        ARG 476   8.044  -9.313  -7.179
  907    HA   ARG 476           HA       ARG 476   8.444 -10.719  -8.901
  908    HB2  ARG 476           HB2      ARG 476   8.671 -12.459  -7.121
  909    HB3  ARG 476           HB1      ARG 476   6.966 -12.843  -7.334
  910    HG2  ARG 476           HG2      ARG 476   7.415 -13.430  -9.683
  911    HG3  ARG 476           HG1      ARG 476   9.128 -13.098  -9.418
  912    HD2  ARG 476           HD2      ARG 476   7.491 -15.176  -7.976
  913    HD3  ARG 476           HD1      ARG 476   8.621 -15.493  -9.286
  914    HE   ARG 476           HE       ARG 476   9.971 -14.133  -7.224
  915   HH11  ARG 476          1HH1      ARG 476   8.465 -17.225  -7.858
  916   HH12  ARG 476          2HH1      ARG 476   9.529 -18.111  -6.805
  917   HH21  ARG 476          1HH2      ARG 476  11.381 -15.300  -5.827
  918   HH22  ARG 476          2HH2      ARG 476  11.199 -17.023  -5.673
  919    H    SER 477           H        SER 477   5.197 -11.507  -7.685
  920    HA   SER 477           HA       SER 477   4.106 -12.058 -10.227
  921    HB2  SER 477           HB2      SER 477   2.989 -12.985  -8.347
  922    HB3  SER 477           HB1      SER 477   2.858 -11.416  -7.552
  923    HG   SER 477           HG       SER 477   1.273 -12.560  -9.510
  924    H    ALA 478           H        ALA 478   3.333 -10.780 -11.759
  925    HA   ALA 478           HA       ALA 478   3.554  -7.971 -11.643
  926    HB1  ALA 478           HB1      ALA 478   1.958  -9.653 -13.572
  927    HB2  ALA 478           HB2      ALA 478   3.665  -9.244 -13.741
  928    HB3  ALA 478           HB3      ALA 478   2.442  -7.974 -13.806
  929    H    GLU 479           H        GLU 479   0.921 -10.208 -11.049
  930    HA   GLU 479           HA       GLU 479  -1.157  -8.263 -10.954
  931    HB2  GLU 479           HB2      GLU 479  -1.275 -10.867 -11.212
  932    HB3  GLU 479           HB1      GLU 479  -1.243 -10.874  -9.457
  933    HG2  GLU 479           HG2      GLU 479  -3.241  -9.173 -10.861
  934    HG3  GLU 479           HG1      GLU 479  -3.500 -10.912 -10.781
  935    H    ALA 480           H        ALA 480   0.976  -9.760  -8.583
  936    HA   ALA 480           HA       ALA 480  -0.120  -8.522  -6.290
  937    HB1  ALA 480           HB1      ALA 480   1.939  -9.161  -5.176
  938    HB2  ALA 480           HB2      ALA 480   2.701  -9.489  -6.732
  939    HB3  ALA 480           HB3      ALA 480   1.349 -10.480  -6.187
  940    H    TYR 481           H        TYR 481   2.580  -7.614  -8.424
  941    HA   TYR 481           HA       TYR 481   3.266  -5.249  -7.042
  942    HB2  TYR 481           HB2      TYR 481   4.787  -6.277  -8.659
  943    HB3  TYR 481           HB1      TYR 481   3.643  -5.964  -9.961
  944    HD1  TYR 481           HD2      TYR 481   5.645  -4.173  -7.365
  945    HD2  TYR 481           HD1      TYR 481   3.833  -4.019 -11.210
  946    HE1  TYR 481           HE2      TYR 481   6.670  -1.971  -7.754
  947    HE2  TYR 481           HE1      TYR 481   4.850  -1.818 -11.609
  948    HH   TYR 481           HH       TYR 481   5.724   0.073 -10.281
  949    H    GLU 482           H        GLU 482   1.080  -5.905  -9.742
  950    HA   GLU 482           HA       GLU 482   0.183  -3.297 -10.215
  951    HB2  GLU 482           HB2      GLU 482  -0.293  -5.338 -11.612
  952    HB3  GLU 482           HB1      GLU 482  -1.452  -5.838 -10.391
  953    HG2  GLU 482           HG2      GLU 482  -2.685  -3.715 -10.796
  954    HG3  GLU 482           HG1      GLU 482  -1.582  -3.396 -12.135
  955    H    ASN 483           H        ASN 483  -0.927  -5.793  -7.986
  956    HA   ASN 483           HA       ASN 483  -3.119  -4.483  -6.874
  957    HB2  ASN 483           HB2      ASN 483  -2.531  -6.883  -6.528
  958    HB3  ASN 483           HB1      ASN 483  -1.222  -6.375  -5.467
  959   HD21  ASN 483          1HD2      ASN 483  -1.694  -5.586  -3.434
  960   HD22  ASN 483          2HD2      ASN 483  -3.252  -5.760  -2.715
  961    H    PHE 484           H        PHE 484   0.279  -4.499  -5.836
  962    HA   PHE 484           HA       PHE 484   0.121  -2.784  -3.662
  963    HB2  PHE 484           HB2      PHE 484   2.178  -3.898  -4.152
  964    HB3  PHE 484           HB1      PHE 484   2.265  -3.177  -5.753
  965    HD1  PHE 484           HD1      PHE 484   2.316  -2.283  -2.143
  966    HD2  PHE 484           HD2      PHE 484   3.533  -1.272  -6.095
  967    HE1  PHE 484           HE1      PHE 484   3.734  -0.485  -1.243
  968    HE2  PHE 484           HE2      PHE 484   4.949   0.531  -5.199
  969    HZ   PHE 484           HZ       PHE 484   5.051   0.925  -2.770
  970    H    LEU 485           H        LEU 485   0.566  -1.978  -7.091
  971    HA   LEU 485           HA       LEU 485   0.635   0.816  -6.748
  972    HB2  LEU 485           HB2      LEU 485  -0.228  -0.785  -9.157
  973    HB3  LEU 485           HB1      LEU 485   0.185   0.920  -9.160
  974    HG   LEU 485           HG       LEU 485   2.072  -1.360  -8.565
  975   HD11  LEU 485          1HD1      LEU 485   1.480  -1.186 -10.917
  976   HD12  LEU 485          2HD1      LEU 485   3.148  -0.680 -10.649
  977   HD13  LEU 485          3HD1      LEU 485   1.889   0.530 -10.904
  978   HD21  LEU 485          3HD2      LEU 485   3.813   0.344  -8.508
  979   HD22  LEU 485          1HD2      LEU 485   2.606   0.632  -7.253
  980   HD23  LEU 485          2HD2      LEU 485   2.598   1.605  -8.723
  981    H    ARG 486           H        ARG 486  -2.037  -1.445  -7.220
  982    HA   ARG 486           HA       ARG 486  -4.048   0.517  -7.546
  983    HB2  ARG 486           HB2      ARG 486  -4.319  -2.259  -6.387
  984    HB3  ARG 486           HB1      ARG 486  -5.644  -1.239  -6.927
  985    HG2  ARG 486           HG2      ARG 486  -4.630  -1.272  -9.210
  986    HG3  ARG 486           HG1      ARG 486  -3.486  -2.478  -8.613
  987    HD2  ARG 486           HD2      ARG 486  -5.840  -3.518  -7.770
  988    HD3  ARG 486           HD1      ARG 486  -6.335  -2.727  -9.265
  989    HE   ARG 486           HE       ARG 486  -4.756  -4.109 -10.449
  990   HH11  ARG 486          1HH1      ARG 486  -5.380  -4.994  -7.111
  991   HH12  ARG 486          2HH1      ARG 486  -4.836  -6.634  -7.313
  992   HH21  ARG 486          1HH2      ARG 486  -4.084  -6.285 -10.716
  993   HH22  ARG 486          2HH2      ARG 486  -4.104  -7.375  -9.345
  994    H    CYS 487           H        CYS 487  -2.644  -1.034  -4.684
  995    HA   CYS 487           HA       CYS 487  -4.323   0.154  -2.772
  996    HB2  CYS 487           HB2      CYS 487  -1.378  -0.503  -2.492
  997    HB3  CYS 487           HB1      CYS 487  -2.522  -0.279  -1.174
  998    HG   CYS 487           HG       CYS 487  -2.776  -2.798  -3.482
  999    H    LEU 488           H        LEU 488  -1.546   1.348  -4.545
 1000    HA   LEU 488           HA       LEU 488  -1.120   3.687  -3.014
 1001    HB2  LEU 488           HB2      LEU 488  -0.450   3.210  -5.915
 1002    HB3  LEU 488           HB1      LEU 488   0.240   4.437  -4.875
 1003    HG   LEU 488           HG       LEU 488   0.658   1.460  -4.700
 1004   HD11  LEU 488          1HD1      LEU 488   2.553   3.753  -5.188
 1005   HD12  LEU 488          2HD1      LEU 488   1.967   2.617  -6.405
 1006   HD13  LEU 488          3HD1      LEU 488   2.992   2.049  -5.087
 1007   HD21  LEU 488          3HD2      LEU 488   1.588   3.623  -2.817
 1008   HD22  LEU 488          1HD2      LEU 488   2.134   1.945  -2.793
 1009   HD23  LEU 488          2HD2      LEU 488   0.447   2.329  -2.448
 1010    H    VAL 489           H        VAL 489  -2.994   3.094  -5.996
 1011    HA   VAL 489           HA       VAL 489  -3.667   5.825  -6.352
 1012    HB   VAL 489           HB       VAL 489  -5.495   5.009  -7.860
 1013   HG11  VAL 489          1HG1      VAL 489  -3.956   4.170  -9.584
 1014   HG12  VAL 489          2HG1      VAL 489  -2.714   3.952  -8.351
 1015   HG13  VAL 489          3HG1      VAL 489  -3.307   5.570  -8.731
 1016   HG21  VAL 489          3HG2      VAL 489  -5.387   2.604  -8.521
 1017   HG22  VAL 489          1HG2      VAL 489  -6.036   2.889  -6.905
 1018   HG23  VAL 489          2HG2      VAL 489  -4.378   2.320  -7.100
 1019    H    ILE 490           H        ILE 490  -5.413   3.146  -4.760
 1020    HA   ILE 490           HA       ILE 490  -7.700   4.746  -4.209
 1021    HB   ILE 490           HB       ILE 490  -8.349   3.025  -2.572
 1022   HG12  ILE 490          2HG1      ILE 490  -5.694   1.757  -3.279
 1023   HG13  ILE 490          1HG1      ILE 490  -6.126   2.444  -1.716
 1024   HG21  ILE 490          1HG2      ILE 490  -7.369   1.958  -5.216
 1025   HG22  ILE 490          2HG2      ILE 490  -8.925   2.730  -4.903
 1026   HG23  ILE 490          3HG2      ILE 490  -8.553   1.170  -4.172
 1027   HD11  ILE 490          3HD1      ILE 490  -6.278   0.047  -1.636
 1028   HD12  ILE 490          1HD1      ILE 490  -7.366   0.038  -3.025
 1029   HD13  ILE 490          2HD1      ILE 490  -7.893   0.747  -1.495
 1030    H    PHE 491           H        PHE 491  -4.671   4.194  -2.525
 1031    HA   PHE 491           HA       PHE 491  -5.316   5.535  -0.133
 1032    HB2  PHE 491           HB2      PHE 491  -3.306   4.201  -0.285
 1033    HB3  PHE 491           HB1      PHE 491  -2.683   5.207  -1.587
 1034    HD1  PHE 491           HD2      PHE 491  -3.647   5.297   2.001
 1035    HD2  PHE 491           HD1      PHE 491  -1.322   7.024  -1.117
 1036    HE1  PHE 491           HE2      PHE 491  -2.489   6.709   3.647
 1037    HE2  PHE 491           HE1      PHE 491  -0.163   8.441   0.526
 1038    HZ   PHE 491           HZ       PHE 491  -0.746   8.283   2.910
 1039    H    ASN 492           H        ASN 492  -4.015   6.669  -3.218
 1040    HA   ASN 492           HA       ASN 492  -3.619   9.354  -2.484
 1041    HB2  ASN 492           HB2      ASN 492  -2.575   8.577  -4.474
 1042    HB3  ASN 492           HB1      ASN 492  -4.108   8.049  -5.159
 1043   HD21  ASN 492          1HD2      ASN 492  -2.127  10.820  -4.361
 1044   HD22  ASN 492          2HD2      ASN 492  -2.933  11.934  -5.414
 1045    H    GLN 493           H        GLN 493  -6.449   7.651  -3.675
 1046    HA   GLN 493           HA       GLN 493  -7.968  10.083  -4.049
 1047    HB2  GLN 493           HB2      GLN 493  -8.843   7.193  -4.178
 1048    HB3  GLN 493           HB1      GLN 493  -9.803   8.575  -4.681
 1049    HG2  GLN 493           HG2      GLN 493  -8.211   9.073  -6.438
 1050    HG3  GLN 493           HG1      GLN 493  -7.188   7.736  -5.909
 1051   HE21  GLN 493          1HE2      GLN 493  -8.429   8.137  -8.506
 1052   HE22  GLN 493          2HE2      GLN 493  -9.449   6.764  -8.766
 1053    H    GLU 494           H        GLU 494  -6.986   8.960  -1.306
 1054    HA   GLU 494           HA       GLU 494  -7.667   9.209   0.854
 1055    HB2  GLU 494           HB2      GLU 494 -10.091  10.473  -0.436
 1056    HB3  GLU 494           HB1      GLU 494  -9.811  10.439   1.296
 1057    HG2  GLU 494           HG2      GLU 494  -7.940  11.710  -0.682
 1058    HG3  GLU 494           HG1      GLU 494  -9.218  12.576   0.169
 1059    H    VAL 495           H        VAL 495  -8.682   6.949  -1.063
 1060    HA   VAL 495           HA       VAL 495 -11.200   6.135  -0.013
 1061    HB   VAL 495           HB       VAL 495  -9.168   4.634  -1.668
 1062   HG11  VAL 495          1HG1      VAL 495 -10.456   3.024  -0.425
 1063   HG12  VAL 495          2HG1      VAL 495 -10.995   3.027  -2.105
 1064   HG13  VAL 495          3HG1      VAL 495 -11.960   3.832  -0.865
 1065   HG21  VAL 495          3HG2      VAL 495 -10.761   5.004  -3.496
 1066   HG22  VAL 495          1HG2      VAL 495 -10.200   6.528  -2.810
 1067   HG23  VAL 495          2HG2      VAL 495 -11.802   5.914  -2.402
 1068    H    ILE 496           H        ILE 496  -7.857   5.119   0.608
 1069    HA   ILE 496           HA       ILE 496  -8.898   3.603   2.912
 1070    HB   ILE 496           HB       ILE 496  -6.915   2.170   2.801
 1071   HG12  ILE 496          2HG1      ILE 496  -6.302   3.580   0.195
 1072   HG13  ILE 496          1HG1      ILE 496  -5.419   3.819   1.699
 1073   HG21  ILE 496          1HG2      ILE 496  -7.546   0.879   0.830
 1074   HG22  ILE 496          2HG2      ILE 496  -8.437   2.265   0.202
 1075   HG23  ILE 496          3HG2      ILE 496  -8.970   1.471   1.684
 1076   HD11  ILE 496          3HD1      ILE 496  -5.637   1.218   0.203
 1077   HD12  ILE 496          1HD1      ILE 496  -4.708   1.502   1.676
 1078   HD13  ILE 496          2HD1      ILE 496  -4.253   2.311   0.175
 1079    H    SER 497           H        SER 497  -7.752   3.721   4.859
 1080    HA   SER 497           HA       SER 497  -6.370   6.178   5.333
 1081    HB2  SER 497           HB2      SER 497  -6.610   3.791   7.178
 1082    HB3  SER 497           HB1      SER 497  -6.284   5.463   7.634
 1083    HG   SER 497           HG       SER 497  -8.534   4.602   7.841
 1084    H    ARG 498           H        ARG 498  -4.173   6.224   6.341
 1085    HA   ARG 498           HA       ARG 498  -2.373   4.913   4.588
 1086    HB2  ARG 498           HB2      ARG 498  -1.987   7.168   5.557
 1087    HB3  ARG 498           HB1      ARG 498  -1.728   6.419   7.124
 1088    HG2  ARG 498           HG2      ARG 498   0.325   5.661   6.593
 1089    HG3  ARG 498           HG1      ARG 498  -0.078   5.421   4.891
 1090    HD2  ARG 498           HD2      ARG 498   1.558   7.233   5.250
 1091    HD3  ARG 498           HD1      ARG 498   0.076   7.787   4.475
 1092    HE   ARG 498           HE       ARG 498   0.338   8.099   7.374
 1093   HH11  ARG 498          1HH1      ARG 498   0.289   9.515   4.187
 1094   HH12  ARG 498          2HH1      ARG 498   0.007  11.132   4.750
 1095   HH21  ARG 498          1HH2      ARG 498   0.047  10.241   8.152
 1096   HH22  ARG 498          2HH2      ARG 498  -0.119  11.543   7.015
 1097    H    ALA 499           H        ALA 499  -3.319   4.348   7.946
 1098    HA   ALA 499           HA       ALA 499  -1.432   2.313   8.500
 1099    HB1  ALA 499           HB1      ALA 499  -2.757   3.430  10.242
 1100    HB2  ALA 499           HB2      ALA 499  -2.904   1.675  10.326
 1101    HB3  ALA 499           HB3      ALA 499  -4.209   2.639   9.635
 1102    H    GLU 500           H        GLU 500  -4.730   2.213   7.223
 1103    HA   GLU 500           HA       GLU 500  -5.058  -0.527   6.890
 1104    HB2  GLU 500           HB2      GLU 500  -6.004   1.604   4.960
 1105    HB3  GLU 500           HB1      GLU 500  -6.719   0.021   5.215
 1106    HG2  GLU 500           HG2      GLU 500  -6.620   2.164   7.323
 1107    HG3  GLU 500           HG1      GLU 500  -7.965   1.945   6.209
 1108    H    LEU 501           H        LEU 501  -3.440   1.870   4.900
 1109    HA   LEU 501           HA       LEU 501  -2.907   0.316   2.634
 1110    HB2  LEU 501           HB2      LEU 501  -2.674   2.719   2.608
 1111    HB3  LEU 501           HB1      LEU 501  -1.408   2.650   3.817
 1112    HG   LEU 501           HG       LEU 501   0.025   1.440   2.172
 1113   HD11  LEU 501          1HD1      LEU 501  -2.190   2.144   0.254
 1114   HD12  LEU 501          2HD1      LEU 501  -1.730   0.519   0.764
 1115   HD13  LEU 501          3HD1      LEU 501  -0.609   1.497  -0.185
 1116   HD21  LEU 501          3HD2      LEU 501   0.227   3.843   2.536
 1117   HD22  LEU 501          1HD2      LEU 501  -0.996   4.137   1.300
 1118   HD23  LEU 501          2HD2      LEU 501   0.552   3.416   0.857
 1119    H    VAL 502           H        VAL 502  -0.849   0.958   5.493
 1120    HA   VAL 502           HA       VAL 502   1.345  -0.591   4.667
 1121    HB   VAL 502           HB       VAL 502   0.753  -0.683   7.569
 1122   HG11  VAL 502          1HG1      VAL 502   2.907  -1.364   6.612
 1123   HG12  VAL 502          2HG1      VAL 502   3.076  -0.027   7.748
 1124   HG13  VAL 502          3HG1      VAL 502   3.147   0.279   6.011
 1125   HG21  VAL 502          3HG2      VAL 502  -0.196   1.486   7.045
 1126   HG22  VAL 502          1HG2      VAL 502   1.280   1.937   6.193
 1127   HG23  VAL 502          2HG2      VAL 502   1.320   1.656   7.934
 1128    H    GLN 503           H        GLN 503  -1.589  -1.431   6.409
 1129    HA   GLN 503           HA       GLN 503  -0.902  -4.110   6.984
 1130    HB2  GLN 503           HB2      GLN 503  -3.480  -2.582   6.887
 1131    HB3  GLN 503           HB1      GLN 503  -3.485  -4.322   7.147
 1132    HG2  GLN 503           HG2      GLN 503  -2.114  -4.061   9.120
 1133    HG3  GLN 503           HG1      GLN 503  -2.011  -2.324   8.844
 1134   HE21  GLN 503          1HE2      GLN 503  -4.107  -4.960   9.739
 1135   HE22  GLN 503          2HE2      GLN 503  -5.334  -3.990  10.473
 1136    H    LEU 504           H        LEU 504  -2.639  -2.637   4.255
 1137    HA   LEU 504           HA       LEU 504  -3.480  -5.031   3.059
 1138    HB2  LEU 504           HB2      LEU 504  -2.851  -2.354   1.840
 1139    HB3  LEU 504           HB1      LEU 504  -3.540  -3.685   0.934
 1140    HG   LEU 504           HG       LEU 504  -4.801  -2.257   3.265
 1141   HD11  LEU 504          1HD1      LEU 504  -5.554  -2.432   0.351
 1142   HD12  LEU 504          2HD1      LEU 504  -4.862  -1.028   1.162
 1143   HD13  LEU 504          3HD1      LEU 504  -6.470  -1.601   1.609
 1144   HD21  LEU 504          3HD2      LEU 504  -5.344  -4.594   3.429
 1145   HD22  LEU 504          1HD2      LEU 504  -5.715  -4.666   1.701
 1146   HD23  LEU 504          2HD2      LEU 504  -6.744  -3.730   2.787
 1147    H    VAL 505           H        VAL 505  -0.497  -3.192   2.674
 1148    HA   VAL 505           HA       VAL 505   0.466  -5.082   0.700
 1149    HB   VAL 505           HB       VAL 505   0.889  -2.573   0.646
 1150   HG11  VAL 505          1HG1      VAL 505   2.963  -3.308   2.699
 1151   HG12  VAL 505          2HG1      VAL 505   1.568  -2.257   2.943
 1152   HG13  VAL 505          3HG1      VAL 505   2.862  -1.766   1.849
 1153   HG21  VAL 505          3HG2      VAL 505   1.994  -4.113  -0.860
 1154   HG22  VAL 505          1HG2      VAL 505   3.223  -4.456   0.357
 1155   HG23  VAL 505          2HG2      VAL 505   3.111  -2.845  -0.353
 1156    H    SER 506           H        SER 506   0.156  -5.304   3.900
 1157    HA   SER 506           HA       SER 506   2.665  -6.018   4.896
 1158    HB2  SER 506           HB2      SER 506   0.715  -5.618   6.340
 1159    HB3  SER 506           HB1      SER 506  -0.030  -7.101   5.742
 1160    HG   SER 506           HG       SER 506   1.491  -6.921   7.799
 1161    HA   PRO 507           HA       PRO 507   1.586 -10.666   3.603
 1162    HB2  PRO 507           HB2      PRO 507   0.078 -10.014   1.127
 1163    HB3  PRO 507           HB1      PRO 507  -0.137 -11.351   2.261
 1164    HG2  PRO 507           HG2      PRO 507  -1.836  -9.299   2.239
 1165    HG3  PRO 507           HG1      PRO 507  -1.349 -10.067   3.762
 1166    HD2  PRO 507           HD2      PRO 507  -0.471  -7.471   2.578
 1167    HD3  PRO 507           HD1      PRO 507  -0.749  -7.900   4.277
 1168    H    PHE 508           H        PHE 508   2.265  -7.887   1.667
 1169    HA   PHE 508           HA       PHE 508   3.826  -9.434  -0.258
 1170    HB2  PHE 508           HB2      PHE 508   3.133  -6.489  -0.249
 1171    HB3  PHE 508           HB1      PHE 508   3.919  -7.363  -1.560
 1172    HD1  PHE 508           HD2      PHE 508   2.661  -8.893  -2.965
 1173    HD2  PHE 508           HD1      PHE 508   0.771  -6.715   0.160
 1174    HE1  PHE 508           HE2      PHE 508   0.462  -9.420  -3.930
 1175    HE2  PHE 508           HE1      PHE 508  -1.431  -7.232  -0.802
 1176    HZ   PHE 508           HZ       PHE 508  -1.590  -8.589  -2.849
 1177    H    LEU 509           H        LEU 509   4.263  -6.456   1.676
 1178    HA   LEU 509           HA       LEU 509   7.129  -6.606   1.280
 1179    HB2  LEU 509           HB2      LEU 509   5.531  -4.632   2.908
 1180    HB3  LEU 509           HB1      LEU 509   7.214  -4.478   2.449
 1181    HG   LEU 509           HG       LEU 509   4.825  -4.357   0.613
 1182   HD11  LEU 509          1HD1      LEU 509   5.586  -2.069   0.218
 1183   HD12  LEU 509          2HD1      LEU 509   6.890  -2.299   1.384
 1184   HD13  LEU 509          3HD1      LEU 509   5.211  -2.338   1.921
 1185   HD21  LEU 509          3HD2      LEU 509   7.763  -4.239  -0.053
 1186   HD22  LEU 509          1HD2      LEU 509   6.440  -3.917  -1.175
 1187   HD23  LEU 509          2HD2      LEU 509   6.644  -5.529  -0.490
 1188    H    GLY 510           H        GLY 510   4.842  -7.572   3.628
 1189    HA2  GLY 510           HA2      GLY 510   6.446  -7.423   5.960
 1190    HA3  GLY 510           HA1      GLY 510   5.024  -8.434   5.746
 1191    H    LYS 511           H        LYS 511   6.687  -9.403   3.246
 1192    HA   LYS 511           HA       LYS 511   7.837 -11.706   4.483
 1193    HB2  LYS 511           HB2      LYS 511   8.321 -10.695   1.676
 1194    HB3  LYS 511           HB1      LYS 511   8.548 -12.333   2.264
 1195    HG2  LYS 511           HG2      LYS 511   6.122 -12.541   2.586
 1196    HG3  LYS 511           HG1      LYS 511   5.914 -10.907   1.945
 1197    HD2  LYS 511           HD2      LYS 511   7.129 -11.712  -0.128
 1198    HD3  LYS 511           HD1      LYS 511   6.952 -13.346   0.513
 1199    HE2  LYS 511           HE2      LYS 511   4.718 -11.426  -0.128
 1200    HE3  LYS 511           HE1      LYS 511   5.190 -12.826  -1.087
 1201    HZ1  LYS 511           HZ1      LYS 511   4.646 -14.222   0.872
 1202    HZ2  LYS 511           HZ2      LYS 511   3.306 -13.409   0.230
 1203    HZ3  LYS 511           HZ3      LYS 511   4.041 -12.840   1.646
 1204    H    PHE 512           H        PHE 512   8.877  -8.522   3.785
 1205    HA   PHE 512           HA       PHE 512  11.680  -9.271   4.318
 1206    HB2  PHE 512           HB2      PHE 512  10.826  -7.062   2.441
 1207    HB3  PHE 512           HB1      PHE 512  12.451  -7.687   2.689
 1208    HD1  PHE 512           HD2      PHE 512  13.049  -9.935   1.841
 1209    HD2  PHE 512           HD1      PHE 512   9.309  -8.106   0.950
 1210    HE1  PHE 512           HE2      PHE 512  12.711 -11.528  -0.001
 1211    HE2  PHE 512           HE1      PHE 512   8.960  -9.696  -0.892
 1212    HZ   PHE 512           HZ       PHE 512  10.665 -11.416  -1.370
 1213    HA   PRO 513           HA       PRO 513  10.529  -6.559   7.783
 1214    HB2  PRO 513           HB2      PRO 513  13.434  -7.034   8.286
 1215    HB3  PRO 513           HB1      PRO 513  12.068  -7.126   9.405
 1216    HG2  PRO 513           HG2      PRO 513  13.174  -9.345   8.455
 1217    HG3  PRO 513           HG1      PRO 513  11.414  -9.221   8.641
 1218    HD2  PRO 513           HD2      PRO 513  13.075  -9.071   6.164
 1219    HD3  PRO 513           HD1      PRO 513  11.462  -9.774   6.403
 1220    H    GLU 514           H        GLU 514  13.685  -6.225   6.146
 1221    HA   GLU 514           HA       GLU 514  14.137  -3.541   6.721
 1222    HB2  GLU 514           HB2      GLU 514  15.850  -5.010   5.796
 1223    HB3  GLU 514           HB1      GLU 514  14.954  -5.141   4.290
 1224    HG2  GLU 514           HG2      GLU 514  15.283  -2.733   3.916
 1225    HG3  GLU 514           HG1      GLU 514  16.238  -2.653   5.394
 1226    H    LEU 515           H        LEU 515  12.381  -4.998   4.028
 1227    HA   LEU 515           HA       LEU 515  12.075  -2.570   2.577
 1228    HB2  LEU 515           HB2      LEU 515  12.069  -4.876   1.611
 1229    HB3  LEU 515           HB1      LEU 515  10.496  -5.129   2.338
 1230    HG   LEU 515           HG       LEU 515   9.545  -3.361   0.940
 1231   HD11  LEU 515          1HD1      LEU 515  11.519  -1.943   0.738
 1232   HD12  LEU 515          2HD1      LEU 515  10.869  -2.351  -0.851
 1233   HD13  LEU 515          3HD1      LEU 515  12.311  -3.172  -0.249
 1234   HD21  LEU 515          3HD2      LEU 515   9.746  -4.504  -1.218
 1235   HD22  LEU 515          1HD2      LEU 515   9.537  -5.646   0.110
 1236   HD23  LEU 515          2HD2      LEU 515  11.130  -5.408  -0.605
 1237    H    PHE 516           H        PHE 516   9.948  -4.474   4.686
 1238    HA   PHE 516           HA       PHE 516   7.696  -2.766   4.352
 1239    HB2  PHE 516           HB2      PHE 516   7.678  -5.194   5.125
 1240    HB3  PHE 516           HB1      PHE 516   8.184  -4.599   6.703
 1241    HD1  PHE 516           HD1      PHE 516   5.748  -3.211   4.263
 1242    HD2  PHE 516           HD2      PHE 516   6.378  -4.897   8.116
 1243    HE1  PHE 516           HE1      PHE 516   3.399  -2.777   4.827
 1244    HE2  PHE 516           HE2      PHE 516   4.023  -4.466   8.691
 1245    HZ   PHE 516           HZ       PHE 516   2.531  -3.393   7.046
 1246    H    ASN 517           H        ASN 517  10.422  -2.823   6.527
 1247    HA   ASN 517           HA       ASN 517   9.463  -0.917   8.400
 1248    HB2  ASN 517           HB2      ASN 517  11.439  -2.391   8.793
 1249    HB3  ASN 517           HB1      ASN 517  12.332  -1.475   7.585
 1250   HD21  ASN 517          1HD2      ASN 517  13.890  -0.700   8.904
 1251   HD22  ASN 517          2HD2      ASN 517  13.590   0.415  10.202
 1252    H    TRP 518           H        TRP 518  11.371  -0.668   5.419
 1253    HA   TRP 518           HA       TRP 518  11.820   2.075   5.327
 1254    HB2  TRP 518           HB2      TRP 518  12.614   0.241   3.709
 1255    HB3  TRP 518           HB1      TRP 518  11.056   0.413   2.918
 1256    HD1  TRP 518           HD1      TRP 518  14.500   1.688   2.814
 1257    HE1  TRP 518           HE1      TRP 518  14.683   3.726   1.253
 1258    HE3  TRP 518           HE3      TRP 518   9.521   2.767   2.257
 1259    HZ2  TRP 518           HZ2      TRP 518  12.961   5.548  -0.024
 1260    HZ3  TRP 518           HZ3      TRP 518   8.886   4.678   0.851
 1261    HH2  TRP 518           HH2      TRP 518  10.573   6.042  -0.266
 1262    H    PHE 519           H        PHE 519   9.054   0.204   4.128
 1263    HA   PHE 519           HA       PHE 519   7.529   2.273   3.098
 1264    HB2  PHE 519           HB2      PHE 519   7.145  -0.217   2.882
 1265    HB3  PHE 519           HB1      PHE 519   6.431  -0.168   4.490
 1266    HD1  PHE 519           HD1      PHE 519   6.161   1.725   1.290
 1267    HD2  PHE 519           HD2      PHE 519   4.152  -0.101   4.560
 1268    HE1  PHE 519           HE1      PHE 519   4.004   2.312   0.282
 1269    HE2  PHE 519           HE2      PHE 519   1.986   0.490   3.564
 1270    HZ   PHE 519           HZ       PHE 519   1.904   1.698   1.417
 1271    H    LYS 520           H        LYS 520   7.369   0.858   6.383
 1272    HA   LYS 520           HA       LYS 520   5.432   2.607   7.409
 1273    HB2  LYS 520           HB2      LYS 520   7.701   1.197   8.824
 1274    HB3  LYS 520           HB1      LYS 520   6.408   2.050   9.652
 1275    HG2  LYS 520           HG2      LYS 520   4.775   0.518   8.658
 1276    HG3  LYS 520           HG1      LYS 520   6.095  -0.355   7.872
 1277    HD2  LYS 520           HD2      LYS 520   7.064  -0.845  10.071
 1278    HD3  LYS 520           HD1      LYS 520   5.728   0.006  10.846
 1279    HE2  LYS 520           HE2      LYS 520   4.155  -1.595   9.877
 1280    HE3  LYS 520           HE1      LYS 520   5.489  -2.447   9.107
 1281    HZ1  LYS 520           HZ1      LYS 520   4.965  -2.187  12.023
 1282    HZ2  LYS 520           HZ2      LYS 520   6.402  -2.812  11.387
 1283    HZ3  LYS 520           HZ3      LYS 520   4.935  -3.611  11.095
 1284    H    ASN 521           H        ASN 521   8.891   2.934   7.048
 1285    HA   ASN 521           HA       ASN 521   9.254   5.209   8.692
 1286    HB2  ASN 521           HB2      ASN 521  11.073   3.692   7.932
 1287    HB3  ASN 521           HB1      ASN 521  10.884   4.321   6.302
 1288   HD21  ASN 521          1HD2      ASN 521  11.620   6.399   5.828
 1289   HD22  ASN 521          2HD2      ASN 521  12.689   7.261   6.886
 1290    H    PHE 522           H        PHE 522   8.368   4.790   5.327
 1291    HA   PHE 522           HA       PHE 522   8.694   7.576   4.653
 1292    HB2  PHE 522           HB2      PHE 522   9.018   5.776   2.990
 1293    HB3  PHE 522           HB1      PHE 522   7.324   5.333   3.146
 1294    HD1  PHE 522           HD2      PHE 522   9.164   8.551   2.645
 1295    HD2  PHE 522           HD1      PHE 522   6.112   5.909   1.290
 1296    HE1  PHE 522           HE2      PHE 522   8.590  10.136   0.854
 1297    HE2  PHE 522           HE1      PHE 522   5.537   7.490  -0.504
 1298    HZ   PHE 522           HZ       PHE 522   6.774   9.608  -0.722
 1299    H    LEU 523           H        LEU 523   6.088   5.444   5.604
 1300    HA   LEU 523           HA       LEU 523   4.012   7.379   5.119
 1301    HB2  LEU 523           HB2      LEU 523   4.153   4.638   6.290
 1302    HB3  LEU 523           HB1      LEU 523   2.741   5.619   6.617
 1303    HG   LEU 523           HG       LEU 523   2.287   5.783   4.207
 1304   HD11  LEU 523          1HD1      LEU 523   4.585   3.870   3.874
 1305   HD12  LEU 523          2HD1      LEU 523   4.608   5.574   3.407
 1306   HD13  LEU 523          3HD1      LEU 523   3.504   4.454   2.607
 1307   HD21  LEU 523          3HD2      LEU 523   2.689   2.957   5.148
 1308   HD22  LEU 523          1HD2      LEU 523   1.600   3.486   3.864
 1309   HD23  LEU 523          2HD2      LEU 523   1.305   3.980   5.534
 1310    H    GLY 524           H        GLY 524   6.251   6.842   7.600
 1311    HA2  GLY 524           HA2      GLY 524   6.506   7.795   9.681
 1312    HA3  GLY 524           HA1      GLY 524   5.145   8.845   9.300
 1313    H    TYR 525           H        TYR 525   5.180   5.331   9.344
 1314    HA   TYR 525           HA       TYR 525   2.825   5.372  11.037
 1315    HB2  TYR 525           HB2      TYR 525   2.949   3.949   8.994
 1316    HB3  TYR 525           HB1      TYR 525   4.233   3.019   9.755
 1317    HD1  TYR 525           HD1      TYR 525   1.040   4.281  11.225
 1318    HD2  TYR 525           HD2      TYR 525   3.333   0.897  10.050
 1319    HE1  TYR 525           HE1      TYR 525  -0.654   2.797  12.217
 1320    HE2  TYR 525           HE2      TYR 525   1.654  -0.598  11.042
 1321    HH   TYR 525           HH       TYR 525  -0.121  -0.643  12.562
 1322    H    LYS 526           H        LYS 526   3.728   6.034  12.990
 1323    HA   LYS 526           HA       LYS 526   5.751   4.412  14.269
 1324    HB2  LYS 526           HB2      LYS 526   4.116   6.747  15.285
 1325    HB3  LYS 526           HB1      LYS 526   5.392   5.949  16.196
 1326    HG2  LYS 526           HG2      LYS 526   7.037   6.638  14.573
 1327    HG3  LYS 526           HG1      LYS 526   5.779   7.351  13.559
 1328    HD2  LYS 526           HD2      LYS 526   5.238   8.942  15.323
 1329    HD3  LYS 526           HD1      LYS 526   6.445   8.203  16.376
 1330    HE2  LYS 526           HE2      LYS 526   8.218   8.868  14.869
 1331    HE3  LYS 526           HE1      LYS 526   7.041   9.515  13.725
 1332    HZ1  LYS 526           HZ1      LYS 526   8.067  11.249  15.094
 1333    HZ2  LYS 526           HZ2      LYS 526   7.448  10.518  16.495
 1334    HZ3  LYS 526           HZ3      LYS 526   6.393  11.164  15.334
 1335    H    GLU 527           H        GLU 527   5.229   2.535  15.145
 1336    HA   GLU 527           HA       GLU 527   2.507   2.062  16.071
 1337    HB2  GLU 527           HB2      GLU 527   4.881   0.200  15.902
 1338    HB3  GLU 527           HB1      GLU 527   3.245  -0.276  16.336
 1339    HG2  GLU 527           HG2      GLU 527   2.455   0.388  14.136
 1340    HG3  GLU 527           HG1      GLU 527   4.085   0.898  13.697
 1341    H    SER 528           H        SER 528   4.982   3.551  17.337
 1342    HA   SER 528           HA       SER 528   5.125   2.298  19.929
 1343    HB2  SER 528           HB2      SER 528   6.484   4.555  20.296
 1344    HB3  SER 528           HB1      SER 528   7.179   3.206  19.395
 1345    HG   SER 528           HG       SER 528   6.266   5.688  18.495
  Start of MODEL   18
    1    H1   SER 127           HT1      SER 127  30.196  -9.242 -23.110
    2    H2   SER 127           HT2      SER 127  29.340  -8.313 -21.974
    3    H3   SER 127           HT3      SER 127  31.033  -8.363 -21.928
    4    HA   SER 127           HA       SER 127  30.259  -6.295 -22.863
    5    HB2  SER 127           HB2      SER 127  31.507  -8.086 -24.962
    6    HB3  SER 127           HB1      SER 127  31.651  -6.331 -24.849
    7    HG   SER 127           HG       SER 127  33.297  -8.034 -23.841
    8    H    ASN 128           H        ASN 128  28.674  -5.287 -23.839
    9    HA   ASN 128           HA       ASN 128  27.005  -4.735 -25.271
   10    HB2  ASN 128           HB2      ASN 128  28.296  -5.712 -27.121
   11    HB3  ASN 128           HB1      ASN 128  27.642  -7.303 -26.741
   12   HD21  ASN 128          1HD2      ASN 128  26.610  -7.614 -28.664
   13   HD22  ASN 128          2HD2      ASN 128  25.233  -6.685 -29.167
   14    H    ALA 129           H        ALA 129  26.825  -8.289 -24.995
   15    HA   ALA 129           HA       ALA 129  23.992  -8.047 -24.344
   16    HB1  ALA 129           HB1      ALA 129  24.698  -9.692 -26.032
   17    HB2  ALA 129           HB2      ALA 129  23.893 -10.448 -24.658
   18    HB3  ALA 129           HB3      ALA 129  25.649 -10.524 -24.803
   19    H    GLY 130           H        GLY 130  23.525  -7.700 -22.287
   20    HA2  GLY 130           HA2      GLY 130  25.110  -9.121 -20.239
   21    HA3  GLY 130           HA1      GLY 130  24.328  -7.569 -19.977
   22    H    SER 131           H        SER 131  23.607  -9.051 -18.083
   23    HA   SER 131           HA       SER 131  21.423 -10.835 -18.796
   24    HB2  SER 131           HB2      SER 131  22.613 -10.129 -16.102
   25    HB3  SER 131           HB1      SER 131  21.397 -11.376 -16.388
   26    HG   SER 131           HG       SER 131  23.262 -12.477 -16.432
   27    H    ASP 132           H        ASP 132  19.361 -10.265 -18.797
   28    HA   ASP 132           HA       ASP 132  18.556  -7.656 -17.793
   29    HB2  ASP 132           HB2      ASP 132  17.717  -8.593 -19.979
   30    HB3  ASP 132           HB1      ASP 132  16.838  -9.806 -19.055
   31    H    ASP 133           H        ASP 133  17.486 -11.011 -17.404
   32    HA   ASP 133           HA       ASP 133  16.030 -10.429 -14.997
   33    HB2  ASP 133           HB2      ASP 133  15.197 -12.195 -16.398
   34    HB3  ASP 133           HB1      ASP 133  16.754 -13.015 -16.389
   35    H    ASP 134           H        ASP 134  19.045 -12.058 -15.839
   36    HA   ASP 134           HA       ASP 134  20.919 -12.573 -14.665
   37    HB2  ASP 134           HB2      ASP 134  20.836 -10.091 -14.300
   38    HB3  ASP 134           HB1      ASP 134  20.011 -10.390 -12.775
   39    H    GLY 135           H        GLY 135  19.628 -14.566 -14.245
   40    HA2  GLY 135           HA2      GLY 135  18.744 -14.791 -11.453
   41    HA3  GLY 135           HA1      GLY 135  18.236 -15.835 -12.769
   42    H    GLY 136           H        GLY 136  21.482 -14.846 -11.684
   43    HA2  GLY 136           HA2      GLY 136  22.118 -17.707 -11.366
   44    HA3  GLY 136           HA1      GLY 136  23.298 -16.416 -11.573
   45    H    ASP 137           H        ASP 137  22.152 -14.608  -9.763
   46    HA   ASP 137           HA       ASP 137  23.137 -15.714  -7.271
   47    HB2  ASP 137           HB2      ASP 137  22.159 -12.946  -8.015
   48    HB3  ASP 137           HB1      ASP 137  22.803 -13.376  -6.434
   49    H    SER 138           H        SER 138  20.110 -14.759  -8.708
   50    HA   SER 138           HA       SER 138  18.697 -15.885  -6.398
   51    HB2  SER 138           HB2      SER 138  18.622 -13.388  -6.293
   52    HB3  SER 138           HB1      SER 138  17.850 -13.373  -7.875
   53    HG   SER 138           HG       SER 138  16.833 -14.231  -5.389
   54    HA   PRO 139           HA       PRO 139  16.896 -18.147  -9.788
   55    HB2  PRO 139           HB2      PRO 139  15.261 -19.723  -8.348
   56    HB3  PRO 139           HB1      PRO 139  17.015 -19.946  -8.348
   57    HG2  PRO 139           HG2      PRO 139  15.277 -18.597  -6.317
   58    HG3  PRO 139           HG1      PRO 139  16.647 -19.696  -6.066
   59    HD2  PRO 139           HD2      PRO 139  16.829 -16.974  -5.871
   60    HD3  PRO 139           HD1      PRO 139  18.189 -18.023  -6.311
   61    H    VAL 140           H        VAL 140  14.656 -18.748 -10.526
   62    HA   VAL 140           HA       VAL 140  13.009 -16.477 -10.718
   63    HB   VAL 140           HB       VAL 140  12.977 -18.124 -12.481
   64   HG11  VAL 140          1HG1      VAL 140  11.812 -20.042 -10.467
   65   HG12  VAL 140          2HG1      VAL 140  13.425 -20.125 -11.176
   66   HG13  VAL 140          3HG1      VAL 140  12.002 -20.348 -12.194
   67   HG21  VAL 140          3HG2      VAL 140  10.315 -18.018 -11.067
   68   HG22  VAL 140          1HG2      VAL 140  10.560 -18.441 -12.762
   69   HG23  VAL 140          2HG2      VAL 140  10.952 -16.819 -12.192
   70    H    GLN 141           H        GLN 141  11.640 -15.654  -9.326
   71    HA   GLN 141           HA       GLN 141  10.137 -17.417  -7.524
   72    HB2  GLN 141           HB2      GLN 141  11.778 -15.017  -6.724
   73    HB3  GLN 141           HB1      GLN 141  10.461 -15.623  -5.732
   74    HG2  GLN 141           HG2      GLN 141  12.841 -17.261  -6.572
   75    HG3  GLN 141           HG1      GLN 141  12.712 -16.401  -5.038
   76   HE21  GLN 141          1HE2      GLN 141  11.567 -19.086  -6.931
   77   HE22  GLN 141          2HE2      GLN 141  10.766 -19.915  -5.630
   78    H    ASP 142           H        ASP 142   8.119 -17.103  -8.208
   79    HA   ASP 142           HA       ASP 142   7.207 -14.407  -8.863
   80    HB2  ASP 142           HB2      ASP 142   6.512 -16.430 -10.216
   81    HB3  ASP 142           HB1      ASP 142   5.599 -16.972  -8.812
   82    H    ILE 143           H        ILE 143   7.742 -16.207  -6.221
   83    HA   ILE 143           HA       ILE 143   7.225 -16.043  -4.029
   84    HB   ILE 143           HB       ILE 143   5.511 -13.652  -4.693
   85   HG12  ILE 143          2HG1      ILE 143   7.820 -13.479  -5.704
   86   HG13  ILE 143          1HG1      ILE 143   7.427 -12.222  -4.541
   87   HG21  ILE 143          1HG2      ILE 143   6.197 -12.912  -2.435
   88   HG22  ILE 143          2HG2      ILE 143   7.037 -14.450  -2.225
   89   HG23  ILE 143          3HG2      ILE 143   5.282 -14.422  -2.422
   90   HD11  ILE 143          3HD1      ILE 143   8.716 -13.400  -2.836
   91   HD12  ILE 143          1HD1      ILE 143   9.696 -13.001  -4.247
   92   HD13  ILE 143          2HD1      ILE 143   9.119 -14.652  -4.014
   93    H    ASP 144           H        ASP 144   5.565 -17.255  -6.144
   94    HA   ASP 144           HA       ASP 144   3.670 -18.491  -6.426
   95    HB2  ASP 144           HB2      ASP 144   4.371 -19.351  -4.181
   96    HB3  ASP 144           HB1      ASP 144   3.319 -18.137  -3.455
   97    H    THR 145           H        THR 145   3.676 -15.448  -6.107
   98    HA   THR 145           HA       THR 145   2.274 -13.701  -6.324
   99    HB   THR 145           HB       THR 145   0.242 -15.876  -6.777
  100    HG1  THR 145           HG1      THR 145   2.214 -15.143  -8.273
  101   HG21  THR 145          3HG2      THR 145  -1.172 -14.130  -7.792
  102   HG22  THR 145          1HG2      THR 145   0.001 -12.908  -7.309
  103   HG23  THR 145          2HG2      THR 145  -0.884 -13.812  -6.080
  104    HA   PRO 146           HA       PRO 146   1.247 -13.826  -1.858
  105    HB2  PRO 146           HB2      PRO 146   1.575 -10.916  -2.317
  106    HB3  PRO 146           HB1      PRO 146   2.280 -11.945  -1.066
  107    HG2  PRO 146           HG2      PRO 146   3.755 -11.029  -3.094
  108    HG3  PRO 146           HG1      PRO 146   4.001 -12.657  -2.433
  109    HD2  PRO 146           HD2      PRO 146   2.621 -11.819  -4.945
  110    HD3  PRO 146           HD1      PRO 146   3.654 -13.229  -4.645
  111    H    GLU 147           H        GLU 147  -0.576 -13.047  -0.736
  112    HA   GLU 147           HA       GLU 147  -2.697 -12.020  -2.488
  113    HB2  GLU 147           HB2      GLU 147  -4.193 -13.516  -0.977
  114    HB3  GLU 147           HB1      GLU 147  -3.278 -14.250  -2.289
  115    HG2  GLU 147           HG2      GLU 147  -1.496 -14.804  -0.629
  116    HG3  GLU 147           HG1      GLU 147  -2.595 -14.249   0.637
  117    H    VAL 148           H        VAL 148  -3.996 -10.475  -1.683
  118    HA   VAL 148           HA       VAL 148  -3.203  -9.319   0.875
  119    HB   VAL 148           HB       VAL 148  -3.106  -7.776  -0.963
  120   HG11  VAL 148          1HG1      VAL 148  -5.994  -8.461  -1.482
  121   HG12  VAL 148          2HG1      VAL 148  -4.621  -8.891  -2.502
  122   HG13  VAL 148          3HG1      VAL 148  -5.077  -7.199  -2.302
  123   HG21  VAL 148          3HG2      VAL 148  -5.584  -7.186   0.644
  124   HG22  VAL 148          1HG2      VAL 148  -4.570  -6.014  -0.194
  125   HG23  VAL 148          2HG2      VAL 148  -3.928  -6.906   1.187
  126    H    ASP 149           H        ASP 149  -4.429  -9.541   2.620
  127    HA   ASP 149           HA       ASP 149  -7.131 -10.561   2.382
  128    HB2  ASP 149           HB2      ASP 149  -5.449  -9.892   4.804
  129    HB3  ASP 149           HB1      ASP 149  -7.095 -10.511   4.889
  130    H    LEU 150           H        LEU 150  -8.668  -9.165   1.886
  131    HA   LEU 150           HA       LEU 150  -8.532  -6.421   2.866
  132    HB2  LEU 150           HB2      LEU 150 -10.511  -7.815   1.060
  133    HB3  LEU 150           HB1      LEU 150 -10.575  -6.113   1.481
  134    HG   LEU 150           HG       LEU 150  -8.206  -7.361   0.104
  135   HD11  LEU 150          1HD1      LEU 150 -10.569  -5.959  -1.132
  136   HD12  LEU 150          2HD1      LEU 150 -10.148  -7.663  -1.317
  137   HD13  LEU 150          3HD1      LEU 150  -9.086  -6.416  -1.973
  138   HD21  LEU 150          3HD2      LEU 150  -7.694  -5.049  -0.492
  139   HD22  LEU 150          1HD2      LEU 150  -7.786  -5.253   1.258
  140   HD23  LEU 150          2HD2      LEU 150  -9.124  -4.502   0.386
  141    H    TYR 151           H        TYR 151  -9.528  -9.311   4.006
  142    HA   TYR 151           HA       TYR 151 -12.019  -8.590   5.237
  143    HB2  TYR 151           HB2      TYR 151 -11.295 -10.930   4.589
  144    HB3  TYR 151           HB1      TYR 151 -10.183 -10.887   5.949
  145    HD1  TYR 151           HD1      TYR 151 -13.797 -10.626   5.095
  146    HD2  TYR 151           HD2      TYR 151 -10.902 -11.532   8.079
  147    HE1  TYR 151           HE1      TYR 151 -15.581 -11.473   6.560
  148    HE2  TYR 151           HE2      TYR 151 -12.678 -12.382   9.550
  149    HH   TYR 151           HH       TYR 151 -15.800 -13.065   8.469
  150    H    GLN 152           H        GLN 152  -8.816  -7.850   5.871
  151    HA   GLN 152           HA       GLN 152  -9.064  -7.793   8.770
  152    HB2  GLN 152           HB2      GLN 152  -6.719  -7.168   8.784
  153    HB3  GLN 152           HB1      GLN 152  -6.957  -8.548   7.723
  154    HG2  GLN 152           HG2      GLN 152  -6.848  -7.129   5.779
  155    HG3  GLN 152           HG1      GLN 152  -6.693  -5.704   6.806
  156   HE21  GLN 152          1HE2      GLN 152  -4.914  -6.912   4.754
  157   HE22  GLN 152          2HE2      GLN 152  -3.385  -7.091   5.544
  158    H    LEU 153           H        LEU 153  -9.845  -5.767   6.237
  159    HA   LEU 153           HA       LEU 153  -8.909  -3.292   7.340
  160    HB2  LEU 153           HB2      LEU 153 -10.868  -3.861   5.119
  161    HB3  LEU 153           HB1      LEU 153 -10.285  -2.264   5.545
  162    HG   LEU 153           HG       LEU 153  -8.617  -4.543   4.492
  163   HD11  LEU 153          1HD1      LEU 153  -8.323  -3.093   2.543
  164   HD12  LEU 153          2HD1      LEU 153  -9.431  -1.917   3.257
  165   HD13  LEU 153          3HD1      LEU 153 -10.018  -3.517   2.794
  166   HD21  LEU 153          3HD2      LEU 153  -7.346  -3.229   6.086
  167   HD22  LEU 153          1HD2      LEU 153  -7.826  -1.739   5.273
  168   HD23  LEU 153          2HD2      LEU 153  -6.790  -2.902   4.444
  169    H    GLN 154           H        GLN 154 -10.378  -1.480   7.758
  170    HA   GLN 154           HA       GLN 154 -12.357  -2.147   9.708
  171    HB2  GLN 154           HB2      GLN 154 -11.657   0.472   8.367
  172    HB3  GLN 154           HB1      GLN 154 -12.804   0.316   9.690
  173    HG2  GLN 154           HG2      GLN 154 -11.119  -0.319  11.207
  174    HG3  GLN 154           HG1      GLN 154  -9.950  -0.576   9.912
  175   HE21  GLN 154          1HE2      GLN 154 -10.687   1.815   8.470
  176   HE22  GLN 154          2HE2      GLN 154 -10.020   3.145   9.357
  177    H    VAL 155           H        VAL 155 -14.618  -1.625   9.620
  178    HA   VAL 155           HA       VAL 155 -15.936  -2.475   7.286
  179    HB   VAL 155           HB       VAL 155 -17.080  -0.835   9.558
  180   HG11  VAL 155          1HG1      VAL 155 -18.550  -0.820   7.631
  181   HG12  VAL 155          2HG1      VAL 155 -19.230  -1.839   8.899
  182   HG13  VAL 155          3HG1      VAL 155 -18.442  -2.577   7.504
  183   HG21  VAL 155          3HG2      VAL 155 -16.936  -3.819   9.189
  184   HG22  VAL 155          1HG2      VAL 155 -17.785  -2.983  10.487
  185   HG23  VAL 155          2HG2      VAL 155 -16.030  -2.866  10.364
  186    H    ASN 156           H        ASN 156 -15.309   0.754   8.580
  187    HA   ASN 156           HA       ASN 156 -16.816   2.118   6.606
  188    HB2  ASN 156           HB2      ASN 156 -14.793   2.955   8.637
  189    HB3  ASN 156           HB1      ASN 156 -15.213   4.080   7.352
  190   HD21  ASN 156          1HD2      ASN 156 -17.433   1.770   8.787
  191   HD22  ASN 156          2HD2      ASN 156 -18.451   2.941   9.554
  192    H    THR 157           H        THR 157 -13.494   0.993   6.724
  193    HA   THR 157           HA       THR 157 -12.510   2.525   4.564
  194    HB   THR 157           HB       THR 157 -11.546  -0.238   5.308
  195    HG1  THR 157           HG1      THR 157 -10.240   0.771   6.853
  196   HG21  THR 157          3HG2      THR 157 -10.149   2.179   4.154
  197   HG22  THR 157          1HG2      THR 157 -10.587   0.714   3.275
  198   HG23  THR 157          2HG2      THR 157  -9.379   0.645   4.559
  199    H    LEU 158           H        LEU 158 -13.967  -0.683   4.767
  200    HA   LEU 158           HA       LEU 158 -13.781  -1.329   2.027
  201    HB2  LEU 158           HB2      LEU 158 -15.762  -2.238   4.115
  202    HB3  LEU 158           HB1      LEU 158 -15.537  -2.990   2.545
  203    HG   LEU 158           HG       LEU 158 -13.367  -2.812   4.636
  204   HD11  LEU 158          1HD1      LEU 158 -15.233  -4.140   5.463
  205   HD12  LEU 158          2HD1      LEU 158 -13.847  -5.162   5.082
  206   HD13  LEU 158          3HD1      LEU 158 -15.222  -5.092   3.980
  207   HD21  LEU 158          3HD2      LEU 158 -12.536  -3.052   2.370
  208   HD22  LEU 158          1HD2      LEU 158 -13.630  -4.405   2.090
  209   HD23  LEU 158          2HD2      LEU 158 -12.320  -4.561   3.259
  210    H    ARG 159           H        ARG 159 -16.315   0.218   3.965
  211    HA   ARG 159           HA       ARG 159 -18.167   0.598   1.871
  212    HB2  ARG 159           HB2      ARG 159 -17.697   2.154   4.414
  213    HB3  ARG 159           HB1      ARG 159 -19.027   2.488   3.315
  214    HG2  ARG 159           HG2      ARG 159 -19.851   0.198   3.659
  215    HG3  ARG 159           HG1      ARG 159 -18.544  -0.072   4.815
  216    HD2  ARG 159           HD2      ARG 159 -19.385   1.767   6.194
  217    HD3  ARG 159           HD1      ARG 159 -20.695   2.028   5.044
  218    HE   ARG 159           HE       ARG 159 -20.821  -0.624   5.853
  219   HH11  ARG 159          1HH1      ARG 159 -21.215   2.566   7.249
  220   HH12  ARG 159          2HH1      ARG 159 -22.291   2.017   8.505
  221   HH21  ARG 159          1HH2      ARG 159 -22.258  -1.341   7.474
  222   HH22  ARG 159          2HH2      ARG 159 -22.874  -0.202   8.634
  223    H    ARG 160           H        ARG 160 -15.472   2.521   3.046
  224    HA   ARG 160           HA       ARG 160 -15.763   4.823   1.516
  225    HB2  ARG 160           HB2      ARG 160 -14.116   4.482   3.349
  226    HB3  ARG 160           HB1      ARG 160 -13.192   3.429   2.292
  227    HG2  ARG 160           HG2      ARG 160 -12.144   5.567   2.328
  228    HG3  ARG 160           HG1      ARG 160 -12.885   5.342   0.743
  229    HD2  ARG 160           HD2      ARG 160 -14.681   6.783   1.279
  230    HD3  ARG 160           HD1      ARG 160 -14.241   6.804   2.984
  231    HE   ARG 160           HE       ARG 160 -12.069   7.798   1.554
  232   HH11  ARG 160          1HH1      ARG 160 -15.392   8.680   2.201
  233   HH12  ARG 160          2HH1      ARG 160 -15.089  10.393   2.133
  234   HH21  ARG 160          1HH2      ARG 160 -11.662  10.032   1.450
  235   HH22  ARG 160          2HH2      ARG 160 -12.958  11.165   1.672
  236    H    TYR 161           H        TYR 161 -13.818   1.931   0.779
  237    HA   TYR 161           HA       TYR 161 -13.038   2.532  -1.787
  238    HB2  TYR 161           HB2      TYR 161 -12.306   0.546  -0.502
  239    HB3  TYR 161           HB1      TYR 161 -13.891  -0.183  -0.749
  240    HD1  TYR 161           HD2      TYR 161 -14.540  -1.036  -2.944
  241    HD2  TYR 161           HD1      TYR 161 -10.696   0.667  -2.299
  242    HE1  TYR 161           HE2      TYR 161 -13.764  -1.997  -5.067
  243    HE2  TYR 161           HE1      TYR 161  -9.914  -0.288  -4.425
  244    HH   TYR 161           HH       TYR 161 -10.508  -2.154  -5.922
  245    H    LYS 162           H        LYS 162 -16.004   0.843  -0.799
  246    HA   LYS 162           HA       LYS 162 -16.994   0.489  -3.417
  247    HB2  LYS 162           HB2      LYS 162 -18.483   0.526  -0.788
  248    HB3  LYS 162           HB1      LYS 162 -19.132  -0.061  -2.314
  249    HG2  LYS 162           HG2      LYS 162 -17.495  -1.825  -2.384
  250    HG3  LYS 162           HG1      LYS 162 -16.716  -1.199  -0.929
  251    HD2  LYS 162           HD2      LYS 162 -18.116  -3.092  -0.366
  252    HD3  LYS 162           HD1      LYS 162 -18.789  -1.617   0.330
  253    HE2  LYS 162           HE2      LYS 162 -20.386  -1.477  -1.519
  254    HE3  LYS 162           HE1      LYS 162 -19.709  -2.949  -2.213
  255    HZ1  LYS 162           HZ1      LYS 162 -20.385  -4.140  -0.206
  256    HZ2  LYS 162           HZ2      LYS 162 -21.710  -3.437  -0.985
  257    HZ3  LYS 162           HZ3      LYS 162 -21.078  -2.724   0.413
  258    H    ARG 163           H        ARG 163 -17.297   3.114  -1.129
  259    HA   ARG 163           HA       ARG 163 -19.426   4.426  -2.535
  260    HB2  ARG 163           HB2      ARG 163 -17.912   4.822  -0.101
  261    HB3  ARG 163           HB1      ARG 163 -18.101   6.331  -0.985
  262    HG2  ARG 163           HG2      ARG 163 -19.881   5.935   0.680
  263    HG3  ARG 163           HG1      ARG 163 -20.487   6.121  -0.965
  264    HD2  ARG 163           HD2      ARG 163 -20.769   3.736  -1.178
  265    HD3  ARG 163           HD1      ARG 163 -20.010   3.471   0.391
  266    HE   ARG 163           HE       ARG 163 -22.002   4.888   1.227
  267   HH11  ARG 163          1HH1      ARG 163 -22.155   2.685  -1.497
  268   HH12  ARG 163          2HH1      ARG 163 -23.806   2.234  -1.191
  269   HH21  ARG 163          1HH2      ARG 163 -24.173   4.299   1.611
  270   HH22  ARG 163          2HH2      ARG 163 -24.949   3.136   0.576
  271    H    HIS 164           H        HIS 164 -15.915   4.918  -2.283
  272    HA   HIS 164           HA       HIS 164 -15.923   7.272  -3.887
  273    HB2  HIS 164           HB2      HIS 164 -14.141   6.415  -2.176
  274    HB3  HIS 164           HB1      HIS 164 -13.488   5.549  -3.563
  275    HD1  HIS 164           HD1      HIS 164 -12.350   6.968  -5.419
  276    HD2  HIS 164           HD2      HIS 164 -13.822   9.187  -2.223
  277    HE1  HIS 164           HE1      HIS 164 -11.367   9.266  -5.676
  278    HE2  HIS 164           HE2      HIS 164 -12.120  10.534  -3.631
  279    H    PHE 165           H        PHE 165 -15.408   3.845  -4.560
  280    HA   PHE 165           HA       PHE 165 -14.824   4.425  -7.345
  281    HB2  PHE 165           HB2      PHE 165 -14.888   1.896  -5.729
  282    HB3  PHE 165           HB1      PHE 165 -14.822   1.845  -7.490
  283    HD1  PHE 165           HD1      PHE 165 -13.021   2.768  -4.439
  284    HD2  PHE 165           HD2      PHE 165 -12.858   2.521  -8.681
  285    HE1  PHE 165           HE1      PHE 165 -10.583   3.073  -4.363
  286    HE2  PHE 165           HE2      PHE 165 -10.419   2.824  -8.613
  287    HZ   PHE 165           HZ       PHE 165  -9.278   3.101  -6.445
  288    H    LYS 166           H        LYS 166 -17.544   4.502  -5.691
  289    HA   LYS 166           HA       LYS 166 -19.753   4.463  -6.198
  290    HB2  LYS 166           HB2      LYS 166 -18.896   4.352  -9.089
  291    HB3  LYS 166           HB1      LYS 166 -20.396   4.999  -8.441
  292    HG2  LYS 166           HG2      LYS 166 -17.639   6.151  -8.097
  293    HG3  LYS 166           HG1      LYS 166 -18.947   6.800  -9.085
  294    HD2  LYS 166           HD2      LYS 166 -20.282   7.176  -7.072
  295    HD3  LYS 166           HD1      LYS 166 -18.982   6.508  -6.081
  296    HE2  LYS 166           HE2      LYS 166 -17.488   8.294  -6.951
  297    HE3  LYS 166           HE1      LYS 166 -18.875   8.996  -7.780
  298    HZ1  LYS 166           HZ1      LYS 166 -18.433   8.750  -4.864
  299    HZ2  LYS 166           HZ2      LYS 166 -19.950   9.118  -5.523
  300    HZ3  LYS 166           HZ3      LYS 166 -18.637  10.164  -5.776
  301    H    LEU 167           H        LEU 167 -19.036   2.036  -5.418
  302    HA   LEU 167           HA       LEU 167 -19.790   0.088  -7.464
  303    HB2  LEU 167           HB2      LEU 167 -18.826  -0.270  -4.627
  304    HB3  LEU 167           HB1      LEU 167 -19.199  -1.585  -5.724
  305    HG   LEU 167           HG       LEU 167 -17.005   0.454  -6.091
  306   HD11  LEU 167          1HD1      LEU 167 -15.514  -1.461  -5.735
  307   HD12  LEU 167          2HD1      LEU 167 -16.915  -2.473  -5.390
  308   HD13  LEU 167          3HD1      LEU 167 -16.517  -1.128  -4.322
  309   HD21  LEU 167          3HD2      LEU 167 -17.771  -1.931  -7.768
  310   HD22  LEU 167          1HD2      LEU 167 -16.325  -0.947  -7.990
  311   HD23  LEU 167          2HD2      LEU 167 -17.919  -0.237  -8.232
  312    HA   PRO 168           HA       PRO 168 -24.039   0.010  -6.169
  313    HB2  PRO 168           HB2      PRO 168 -23.964  -2.742  -7.270
  314    HB3  PRO 168           HB1      PRO 168 -25.013  -1.385  -7.699
  315    HG2  PRO 168           HG2      PRO 168 -23.050  -2.171  -9.326
  316    HG3  PRO 168           HG1      PRO 168 -23.448  -0.453  -9.125
  317    HD2  PRO 168           HD2      PRO 168 -21.183  -2.022  -7.949
  318    HD3  PRO 168           HD1      PRO 168 -21.194  -0.368  -8.599
  319    H    THR 169           H        THR 169 -25.294  -0.957  -4.566
  320    HA   THR 169           HA       THR 169 -23.982  -3.050  -2.980
  321    HB   THR 169           HB       THR 169 -24.796  -1.827  -0.913
  322    HG1  THR 169           HG1      THR 169 -25.561  -0.056  -2.885
  323   HG21  THR 169          3HG2      THR 169 -22.429  -1.899  -1.637
  324   HG22  THR 169          1HG2      THR 169 -22.845  -0.396  -0.804
  325   HG23  THR 169          2HG2      THR 169 -22.695  -0.417  -2.561
  326    H    ARG 170           H        ARG 170 -25.423  -4.098  -1.435
  327    HA   ARG 170           HA       ARG 170 -28.220  -4.140  -2.358
  328    HB2  ARG 170           HB2      ARG 170 -26.440  -6.397  -1.428
  329    HB3  ARG 170           HB1      ARG 170 -28.182  -6.550  -1.590
  330    HG2  ARG 170           HG2      ARG 170 -26.342  -5.801  -3.844
  331    HG3  ARG 170           HG1      ARG 170 -26.894  -7.443  -3.508
  332    HD2  ARG 170           HD2      ARG 170 -28.644  -5.071  -4.136
  333    HD3  ARG 170           HD1      ARG 170 -28.254  -6.393  -5.235
  334    HE   ARG 170           HE       ARG 170 -29.521  -7.134  -2.719
  335   HH11  ARG 170          1HH1      ARG 170 -29.906  -6.453  -6.146
  336   HH12  ARG 170          2HH1      ARG 170 -31.420  -7.300  -6.262
  337   HH21  ARG 170          1HH2      ARG 170 -31.509  -8.224  -2.875
  338   HH22  ARG 170          2HH2      ARG 170 -32.328  -8.319  -4.408
  339    HA   PRO 171           HA       PRO 171 -29.477  -3.196   1.792
  340    HB2  PRO 171           HB2      PRO 171 -31.514  -5.331   1.527
  341    HB3  PRO 171           HB1      PRO 171 -31.719  -3.615   1.895
  342    HG2  PRO 171           HG2      PRO 171 -32.379  -4.600  -0.499
  343    HG3  PRO 171           HG1      PRO 171 -31.645  -2.995  -0.336
  344    HD2  PRO 171           HD2      PRO 171 -30.397  -5.570  -1.206
  345    HD3  PRO 171           HD1      PRO 171 -30.130  -3.924  -1.818
  346    H    GLY 172           H        GLY 172 -28.922  -3.872   3.783
  347    HA2  GLY 172           HA2      GLY 172 -28.351  -5.346   5.490
  348    HA3  GLY 172           HA1      GLY 172 -28.692  -6.693   4.413
  349    H    LEU 173           H        LEU 173 -26.377  -3.998   4.697
  350    HA   LEU 173           HA       LEU 173 -24.322  -5.595   3.444
  351    HB2  LEU 173           HB2      LEU 173 -24.263  -2.838   4.653
  352    HB3  LEU 173           HB1      LEU 173 -22.861  -3.624   3.950
  353    HG   LEU 173           HG       LEU 173 -25.396  -2.864   2.501
  354   HD11  LEU 173          1HD1      LEU 173 -23.949  -1.322   1.291
  355   HD12  LEU 173          2HD1      LEU 173 -22.573  -1.827   2.272
  356   HD13  LEU 173          3HD1      LEU 173 -23.927  -0.977   3.020
  357   HD21  LEU 173          3HD2      LEU 173 -22.896  -4.197   1.465
  358   HD22  LEU 173          1HD2      LEU 173 -24.253  -3.639   0.486
  359   HD23  LEU 173          2HD2      LEU 173 -24.479  -4.956   1.638
  360    H    ASN 174           H        ASN 174 -22.560  -6.438   4.355
  361    HA   ASN 174           HA       ASN 174 -22.238  -6.307   7.259
  362    HB2  ASN 174           HB2      ASN 174 -23.569  -8.365   6.578
  363    HB3  ASN 174           HB1      ASN 174 -22.144  -8.902   5.696
  364   HD21  ASN 174          1HD2      ASN 174 -23.554  -8.350   8.809
  365   HD22  ASN 174          2HD2      ASN 174 -22.359  -9.199   9.734
  366    H    LYS 175           H        LYS 175 -20.051  -7.252   7.867
  367    HA   LYS 175           HA       LYS 175 -17.966  -6.018   6.561
  368    HB2  LYS 175           HB2      LYS 175 -17.722  -6.847   8.807
  369    HB3  LYS 175           HB1      LYS 175 -17.977  -8.501   8.278
  370    HG2  LYS 175           HG2      LYS 175 -15.642  -8.107   8.770
  371    HG3  LYS 175           HG1      LYS 175 -15.864  -8.439   7.052
  372    HD2  LYS 175           HD2      LYS 175 -15.620  -6.134   6.498
  373    HD3  LYS 175           HD1      LYS 175 -15.662  -5.657   8.201
  374    HE2  LYS 175           HE2      LYS 175 -13.536  -7.346   6.887
  375    HE3  LYS 175           HE1      LYS 175 -13.383  -5.635   7.278
  376    HZ1  LYS 175           HZ1      LYS 175 -13.598  -6.166   9.614
  377    HZ2  LYS 175           HZ2      LYS 175 -12.334  -7.070   8.936
  378    HZ3  LYS 175           HZ3      LYS 175 -13.820  -7.812   9.261
  379    H    ALA 176           H        ALA 176 -18.918  -9.442   6.285
  380    HA   ALA 176           HA       ALA 176 -16.983 -10.180   4.402
  381    HB1  ALA 176           HB1      ALA 176 -18.369 -12.132   3.977
  382    HB2  ALA 176           HB2      ALA 176 -19.730 -11.361   4.793
  383    HB3  ALA 176           HB3      ALA 176 -18.283 -11.791   5.705
  384    H    GLN 177           H        GLN 177 -20.246  -8.884   3.963
  385    HA   GLN 177           HA       GLN 177 -20.479  -9.218   1.182
  386    HB2  GLN 177           HB2      GLN 177 -21.639  -7.091   2.998
  387    HB3  GLN 177           HB1      GLN 177 -22.114  -7.326   1.322
  388    HG2  GLN 177           HG2      GLN 177 -22.321  -9.533   3.339
  389    HG3  GLN 177           HG1      GLN 177 -23.595  -8.330   3.132
  390   HE21  GLN 177          1HE2      GLN 177 -21.938 -11.031   1.705
  391   HE22  GLN 177          2HE2      GLN 177 -23.058 -11.286   0.410
  392    H    LEU 178           H        LEU 178 -19.268  -6.541   3.133
  393    HA   LEU 178           HA       LEU 178 -18.676  -4.764   1.045
  394    HB2  LEU 178           HB2      LEU 178 -17.264  -5.059   3.699
  395    HB3  LEU 178           HB1      LEU 178 -17.218  -3.648   2.657
  396    HG   LEU 178           HG       LEU 178 -19.688  -4.701   4.039
  397   HD11  LEU 178          1HD1      LEU 178 -18.003  -2.279   4.645
  398   HD12  LEU 178          2HD1      LEU 178 -18.058  -3.764   5.599
  399   HD13  LEU 178          3HD1      LEU 178 -19.493  -2.749   5.462
  400   HD21  LEU 178          3HD2      LEU 178 -20.728  -2.627   3.305
  401   HD22  LEU 178          1HD2      LEU 178 -20.178  -3.569   1.920
  402   HD23  LEU 178          2HD2      LEU 178 -19.253  -2.167   2.458
  403    H    VAL 179           H        VAL 179 -16.628  -7.106   2.760
  404    HA   VAL 179           HA       VAL 179 -14.238  -6.585   1.432
  405    HB   VAL 179           HB       VAL 179 -15.129  -9.259   2.530
  406   HG11  VAL 179          1HG1      VAL 179 -12.747  -9.694   2.793
  407   HG12  VAL 179          2HG1      VAL 179 -12.379  -8.126   2.073
  408   HG13  VAL 179          3HG1      VAL 179 -13.148  -9.383   1.101
  409   HG21  VAL 179          3HG2      VAL 179 -13.711  -6.968   3.881
  410   HG22  VAL 179          1HG2      VAL 179 -13.946  -8.571   4.580
  411   HG23  VAL 179          2HG2      VAL 179 -15.339  -7.548   4.230
  412    H    GLU 180           H        GLU 180 -16.817  -8.896   0.620
  413    HA   GLU 180           HA       GLU 180 -15.555 -10.128  -1.547
  414    HB2  GLU 180           HB2      GLU 180 -18.483  -9.603  -1.056
  415    HB3  GLU 180           HB1      GLU 180 -17.878 -10.600  -2.371
  416    HG2  GLU 180           HG2      GLU 180 -16.810 -12.073  -0.704
  417    HG3  GLU 180           HG1      GLU 180 -17.555 -11.110   0.573
  418    H    ILE 181           H        ILE 181 -17.870  -7.409  -1.606
  419    HA   ILE 181           HA       ILE 181 -17.673  -6.991  -4.391
  420    HB   ILE 181           HB       ILE 181 -18.437  -4.990  -2.254
  421   HG12  ILE 181          2HG1      ILE 181 -20.149  -6.841  -3.931
  422   HG13  ILE 181          1HG1      ILE 181 -19.814  -7.036  -2.215
  423   HG21  ILE 181          1HG2      ILE 181 -19.633  -3.840  -4.073
  424   HG22  ILE 181          2HG2      ILE 181 -18.952  -4.987  -5.225
  425   HG23  ILE 181          3HG2      ILE 181 -17.890  -3.887  -4.345
  426   HD11  ILE 181          3HD1      ILE 181 -21.309  -4.740  -3.462
  427   HD12  ILE 181          1HD1      ILE 181 -20.990  -4.957  -1.741
  428   HD13  ILE 181          2HD1      ILE 181 -22.026  -6.099  -2.597
  429    H    VAL 182           H        VAL 182 -15.961  -5.519  -1.654
  430    HA   VAL 182           HA       VAL 182 -14.466  -3.634  -3.088
  431    HB   VAL 182           HB       VAL 182 -13.829  -5.104  -0.525
  432   HG11  VAL 182          1HG1      VAL 182 -12.022  -3.482  -0.166
  433   HG12  VAL 182          2HG1      VAL 182 -12.290  -2.830  -1.783
  434   HG13  VAL 182          3HG1      VAL 182 -11.717  -4.485  -1.585
  435   HG21  VAL 182          3HG2      VAL 182 -15.690  -3.547  -0.407
  436   HG22  VAL 182          1HG2      VAL 182 -14.691  -2.273  -1.105
  437   HG23  VAL 182          2HG2      VAL 182 -14.307  -2.917   0.491
  438    H    GLY 183           H        GLY 183 -13.669  -6.990  -2.201
  439    HA2  GLY 183           HA2      GLY 183 -11.142  -7.028  -3.453
  440    HA3  GLY 183           HA1      GLY 183 -12.103  -8.437  -3.031
  441    H    CYS 184           H        CYS 184 -14.374  -7.793  -4.622
  442    HA   CYS 184           HA       CYS 184 -13.709  -9.018  -7.027
  443    HB2  CYS 184           HB2      CYS 184 -15.998  -8.898  -6.068
  444    HB3  CYS 184           HB1      CYS 184 -16.066  -7.195  -6.510
  445    HG   CYS 184           HG       CYS 184 -15.434  -9.451  -8.955
  446    H    HIS 185           H        HIS 185 -14.260  -5.544  -6.364
  447    HA   HIS 185           HA       HIS 185 -13.381  -4.897  -9.049
  448    HB2  HIS 185           HB2      HIS 185 -15.141  -3.543  -7.958
  449    HB3  HIS 185           HB1      HIS 185 -13.970  -3.022  -6.750
  450    HD1  HIS 185           HD1      HIS 185 -12.291  -1.220  -7.417
  451    HD2  HIS 185           HD2      HIS 185 -14.765  -2.406 -10.544
  452    HE1  HIS 185           HE1      HIS 185 -11.915   0.456  -9.254
  453    HE2  HIS 185           HE2      HIS 185 -13.322  -0.346 -11.182
  454    H    PHE 186           H        PHE 186 -11.961  -5.164  -5.895
  455    HA   PHE 186           HA       PHE 186  -9.741  -3.497  -6.204
  456    HB2  PHE 186           HB2      PHE 186 -10.499  -4.613  -4.081
  457    HB3  PHE 186           HB1      PHE 186  -9.810  -6.113  -4.695
  458    HD1  PHE 186           HD1      PHE 186  -9.013  -2.668  -3.665
  459    HD2  PHE 186           HD2      PHE 186  -7.509  -6.549  -4.530
  460    HE1  PHE 186           HE1      PHE 186  -6.836  -2.025  -2.743
  461    HE2  PHE 186           HE2      PHE 186  -5.328  -5.914  -3.606
  462    HZ   PHE 186           HZ       PHE 186  -4.981  -3.649  -2.707
  463    H    LYS 187           H        LYS 187 -10.371  -6.767  -7.269
  464    HA   LYS 187           HA       LYS 187  -7.686  -7.185  -8.250
  465    HB2  LYS 187           HB2      LYS 187 -10.206  -8.769  -8.796
  466    HB3  LYS 187           HB1      LYS 187  -8.560  -9.291  -9.123
  467    HG2  LYS 187           HG2      LYS 187  -8.069  -9.337  -6.752
  468    HG3  LYS 187           HG1      LYS 187  -9.681  -8.716  -6.386
  469    HD2  LYS 187           HD2      LYS 187 -10.632 -10.739  -7.496
  470    HD3  LYS 187           HD1      LYS 187  -8.990 -11.370  -7.644
  471    HE2  LYS 187           HE2      LYS 187 -10.424 -10.691  -5.078
  472    HE3  LYS 187           HE1      LYS 187 -10.108 -12.310  -5.696
  473    HZ1  LYS 187           HZ1      LYS 187  -8.183 -10.341  -4.624
  474    HZ2  LYS 187           HZ2      LYS 187  -7.670 -11.617  -5.611
  475    HZ3  LYS 187           HZ3      LYS 187  -8.443 -11.945  -4.136
  476    H    SER 188           H        SER 188 -10.085  -5.242  -9.299
  477    HA   SER 188           HA       SER 188  -9.347  -5.561 -12.130
  478    HB2  SER 188           HB2      SER 188 -11.632  -6.516 -11.583
  479    HB3  SER 188           HB1      SER 188 -12.134  -4.883 -11.157
  480    HG   SER 188           HG       SER 188 -11.996  -4.268 -13.242
  481    H    ILE 189           H        ILE 189  -8.062  -3.784 -10.456
  482    HA   ILE 189           HA       ILE 189  -9.273  -1.175 -11.054
  483    HB   ILE 189           HB       ILE 189  -6.919  -1.791  -9.258
  484   HG12  ILE 189          2HG1      ILE 189  -9.759  -1.046  -8.528
  485   HG13  ILE 189          1HG1      ILE 189  -9.054  -2.650  -8.360
  486   HG21  ILE 189          1HG2      ILE 189  -6.784   0.437 -10.217
  487   HG22  ILE 189          2HG2      ILE 189  -7.169   0.532  -8.499
  488   HG23  ILE 189          3HG2      ILE 189  -8.435   0.781  -9.701
  489   HD11  ILE 189          3HD1      ILE 189  -9.107  -1.487  -6.234
  490   HD12  ILE 189          1HD1      ILE 189  -8.160  -0.166  -6.918
  491   HD13  ILE 189          2HD1      ILE 189  -7.444  -1.769  -6.751
  492    HA   PRO 190           HA       PRO 190  -6.230  -0.923 -14.395
  493    HB2  PRO 190           HB2      PRO 190  -7.085   1.546 -15.225
  494    HB3  PRO 190           HB1      PRO 190  -7.823   0.027 -15.742
  495    HG2  PRO 190           HG2      PRO 190  -8.714   1.945 -13.632
  496    HG3  PRO 190           HG1      PRO 190  -9.685   1.057 -14.822
  497    HD2  PRO 190           HD2      PRO 190  -9.496   0.284 -12.242
  498    HD3  PRO 190           HD1      PRO 190  -9.669  -0.881 -13.569
  499    H    VAL 191           H        VAL 191  -4.245  -0.521 -13.602
  500    HA   VAL 191           HA       VAL 191  -3.755   2.087 -12.348
  501    HB   VAL 191           HB       VAL 191  -4.063   0.533 -10.521
  502   HG11  VAL 191          1HG1      VAL 191  -2.611  -1.414 -10.211
  503   HG12  VAL 191          2HG1      VAL 191  -1.928  -1.140 -11.815
  504   HG13  VAL 191          3HG1      VAL 191  -3.635  -1.550 -11.641
  505   HG21  VAL 191          3HG2      VAL 191  -1.932   0.746  -9.359
  506   HG22  VAL 191          1HG2      VAL 191  -2.350   2.231 -10.214
  507   HG23  VAL 191          2HG2      VAL 191  -1.135   1.141 -10.884
  508    H    ASN 192           H        ASN 192  -2.017   3.092 -13.102
  509    HA   ASN 192           HA       ASN 192  -0.163   1.592 -14.822
  510    HB2  ASN 192           HB2      ASN 192  -1.371   3.519 -15.848
  511    HB3  ASN 192           HB1      ASN 192  -0.614   4.584 -14.666
  512   HD21  ASN 192          1HD2      ASN 192   0.525   5.802 -16.119
  513   HD22  ASN 192          2HD2      ASN 192   1.845   5.168 -17.050
  514    H    GLU 193           H        GLU 193   1.915   1.330 -14.211
  515    HA   GLU 193           HA       GLU 193   2.680   1.589 -11.586
  516    HB2  GLU 193           HB2      GLU 193   3.809   0.108 -13.156
  517    HB3  GLU 193           HB1      GLU 193   4.477   1.490 -14.015
  518    HG2  GLU 193           HG2      GLU 193   5.672   2.122 -11.918
  519    HG3  GLU 193           HG1      GLU 193   5.119   0.605 -11.212
  520    H    LYS 194           H        LYS 194   4.019   3.661 -14.198
  521    HA   LYS 194           HA       LYS 194   5.621   5.138 -12.452
  522    HB2  LYS 194           HB2      LYS 194   5.972   5.043 -14.880
  523    HB3  LYS 194           HB1      LYS 194   4.528   6.015 -15.129
  524    HG2  LYS 194           HG2      LYS 194   6.432   7.436 -15.338
  525    HG3  LYS 194           HG1      LYS 194   5.613   7.842 -13.828
  526    HD2  LYS 194           HD2      LYS 194   7.238   6.438 -12.607
  527    HD3  LYS 194           HD1      LYS 194   8.078   6.126 -14.125
  528    HE2  LYS 194           HE2      LYS 194   8.415   8.592 -14.357
  529    HE3  LYS 194           HE1      LYS 194   7.732   8.781 -12.741
  530    HZ1  LYS 194           HZ1      LYS 194  10.118   8.746 -12.609
  531    HZ2  LYS 194           HZ2      LYS 194  10.192   7.281 -13.458
  532    HZ3  LYS 194           HZ3      LYS 194   9.518   7.324 -11.907
  533    H    ASP 195           H        ASP 195   2.448   6.041 -13.819
  534    HA   ASP 195           HA       ASP 195   2.289   8.560 -12.595
  535    HB2  ASP 195           HB2      ASP 195   0.175   6.673 -13.602
  536    HB3  ASP 195           HB1      ASP 195  -0.253   8.199 -12.835
  537    H    THR 196           H        THR 196   1.295   5.377 -11.482
  538    HA   THR 196           HA       THR 196  -0.059   6.271  -9.166
  539    HB   THR 196           HB       THR 196   1.199   3.575  -9.708
  540    HG1  THR 196           HG1      THR 196  -0.317   3.880 -11.254
  541   HG21  THR 196          3HG2      THR 196  -0.414   2.735  -8.067
  542   HG22  THR 196          1HG2      THR 196  -0.960   4.383  -7.756
  543   HG23  THR 196          2HG2      THR 196   0.685   3.906  -7.338
  544    H    LEU 197           H        LEU 197   3.267   5.138  -9.730
  545    HA   LEU 197           HA       LEU 197   4.196   5.305  -7.097
  546    HB2  LEU 197           HB2      LEU 197   5.774   6.037  -9.568
  547    HB3  LEU 197           HB1      LEU 197   6.427   5.542  -8.021
  548    HG   LEU 197           HG       LEU 197   4.992   3.840 -10.046
  549   HD11  LEU 197          1HD1      LEU 197   7.085   2.520  -9.891
  550   HD12  LEU 197          2HD1      LEU 197   7.752   3.774  -8.839
  551   HD13  LEU 197          3HD1      LEU 197   7.325   4.157 -10.508
  552   HD21  LEU 197          3HD2      LEU 197   5.199   1.988  -8.481
  553   HD22  LEU 197          1HD2      LEU 197   4.162   3.256  -7.833
  554   HD23  LEU 197          2HD2      LEU 197   5.818   3.088  -7.249
  555    H    THR 198           H        THR 198   4.122   7.718  -9.667
  556    HA   THR 198           HA       THR 198   5.336   9.835  -8.322
  557    HB   THR 198           HB       THR 198   3.140  10.043 -10.397
  558    HG1  THR 198           HG1      THR 198   4.769   8.719 -11.210
  559   HG21  THR 198          3HG2      THR 198   3.705  12.173  -9.331
  560   HG22  THR 198          1HG2      THR 198   4.256  12.140 -11.007
  561   HG23  THR 198          2HG2      THR 198   5.410  11.907  -9.694
  562    H    CYS 199           H        CYS 199   1.890   8.976  -8.558
  563    HA   CYS 199           HA       CYS 199   0.839  11.143  -7.147
  564    HB2  CYS 199           HB2      CYS 199  -0.212   8.307  -7.307
  565    HB3  CYS 199           HB1      CYS 199  -1.135   9.702  -6.757
  566    HG   CYS 199           HG       CYS 199  -0.052   9.033  -9.920
  567    H    PHE 200           H        PHE 200   1.651   7.882  -5.947
  568    HA   PHE 200           HA       PHE 200   0.886   8.365  -3.295
  569    HB2  PHE 200           HB2      PHE 200   1.172   6.107  -4.150
  570    HB3  PHE 200           HB1      PHE 200   2.897   6.389  -4.387
  571    HD1  PHE 200           HD1      PHE 200   0.259   6.205  -1.788
  572    HD2  PHE 200           HD2      PHE 200   4.412   5.972  -2.676
  573    HE1  PHE 200           HE1      PHE 200   0.701   5.401   0.493
  574    HE2  PHE 200           HE2      PHE 200   4.861   5.164  -0.399
  575    HZ   PHE 200           HZ       PHE 200   3.002   4.876   1.188
  576    H    ILE 201           H        ILE 201   4.065   8.578  -4.860
  577    HA   ILE 201           HA       ILE 201   5.575   9.069  -2.572
  578    HB   ILE 201           HB       ILE 201   6.044   9.976  -5.414
  579   HG12  ILE 201          2HG1      ILE 201   7.215   7.714  -3.784
  580   HG13  ILE 201          1HG1      ILE 201   5.987   7.542  -5.033
  581   HG21  ILE 201          1HG2      ILE 201   7.972  10.017  -3.093
  582   HG22  ILE 201          2HG2      ILE 201   7.264  11.431  -3.871
  583   HG23  ILE 201          3HG2      ILE 201   8.364  10.389  -4.772
  584   HD11  ILE 201          3HD1      ILE 201   8.130   6.901  -5.901
  585   HD12  ILE 201          1HD1      ILE 201   8.829   8.447  -5.415
  586   HD13  ILE 201          2HD1      ILE 201   7.607   8.392  -6.685
  587    H    TYR 202           H        TYR 202   4.135  11.437  -4.836
  588    HA   TYR 202           HA       TYR 202   5.133  13.653  -3.347
  589    HB2  TYR 202           HB2      TYR 202   3.212  13.398  -5.639
  590    HB3  TYR 202           HB1      TYR 202   3.454  14.946  -4.834
  591    HD1  TYR 202           HD1      TYR 202   5.674  16.040  -4.901
  592    HD2  TYR 202           HD2      TYR 202   4.876  12.498  -7.116
  593    HE1  TYR 202           HE1      TYR 202   7.678  16.449  -6.263
  594    HE2  TYR 202           HE2      TYR 202   6.880  12.897  -8.487
  595    HH   TYR 202           HH       TYR 202   8.290  14.840  -9.159
  596    H    SER 203           H        SER 203   2.280  11.717  -3.150
  597    HA   SER 203           HA       SER 203   0.698  13.527  -1.654
  598    HB2  SER 203           HB2      SER 203   0.702  10.506  -1.779
  599    HB3  SER 203           HB1      SER 203  -0.504  11.449  -0.908
  600    HG   SER 203           HG       SER 203  -0.018  11.294  -3.682
  601    H    VAL 204           H        VAL 204   2.884  10.888  -0.658
  602    HA   VAL 204           HA       VAL 204   2.512  11.413   2.130
  603    HB   VAL 204           HB       VAL 204   4.725   9.809   0.837
  604   HG11  VAL 204          1HG1      VAL 204   3.585   9.730   3.626
  605   HG12  VAL 204          2HG1      VAL 204   5.153  10.392   3.165
  606   HG13  VAL 204          3HG1      VAL 204   4.840   8.665   2.991
  607   HG21  VAL 204          3HG2      VAL 204   2.556   8.969   0.122
  608   HG22  VAL 204          1HG2      VAL 204   2.012   8.908   1.799
  609   HG23  VAL 204          2HG2      VAL 204   3.312   7.845   1.256
  610    H    ARG 205           H        ARG 205   4.687  12.580  -0.315
  611    HA   ARG 205           HA       ARG 205   6.743  13.582   1.312
  612    HB2  ARG 205           HB2      ARG 205   5.692  14.446  -1.371
  613    HB3  ARG 205           HB1      ARG 205   7.006  15.306  -0.583
  614    HG2  ARG 205           HG2      ARG 205   7.058  12.371  -1.238
  615    HG3  ARG 205           HG1      ARG 205   7.736  13.636  -2.263
  616    HD2  ARG 205           HD2      ARG 205   8.569  12.983   0.562
  617    HD3  ARG 205           HD1      ARG 205   9.466  12.599  -0.906
  618    HE   ARG 205           HE       ARG 205   8.947  15.353   0.029
  619   HH11  ARG 205          1HH1      ARG 205  11.007  12.981  -1.544
  620   HH12  ARG 205          2HH1      ARG 205  12.328  14.088  -1.738
  621   HH21  ARG 205          1HH2      ARG 205  10.686  16.794  -0.229
  622   HH22  ARG 205          2HH2      ARG 205  12.160  16.248  -0.989
  623    H    ASN 206           H        ASN 206   3.516  14.720   0.754
  624    HA   ASN 206           HA       ASN 206   4.105  17.290   2.022
  625    HB2  ASN 206           HB2      ASN 206   1.604  16.220   0.705
  626    HB3  ASN 206           HB1      ASN 206   1.659  17.757   1.559
  627   HD21  ASN 206          1HD2      ASN 206   4.421  18.273   0.635
  628   HD22  ASN 206          2HD2      ASN 206   4.262  18.759  -1.020
  629    H    ASP 207           H        ASP 207   1.788  14.598   2.432
  630    HA   ASP 207           HA       ASP 207   2.045  14.772   5.304
  631    HB2  ASP 207           HB2      ASP 207   0.265  16.488   4.534
  632    HB3  ASP 207           HB1      ASP 207  -0.722  15.088   4.124
  633    H    LYS 208           H        LYS 208  -0.315  13.241   5.829
  634    HA   LYS 208           HA       LYS 208   0.397  10.745   4.424
  635    HB2  LYS 208           HB2      LYS 208  -0.583  11.133   7.261
  636    HB3  LYS 208           HB1      LYS 208  -0.428   9.567   6.481
  637    HG2  LYS 208           HG2      LYS 208   1.507   9.742   7.736
  638    HG3  LYS 208           HG1      LYS 208   2.026  10.212   6.118
  639    HD2  LYS 208           HD2      LYS 208   1.789  12.584   6.764
  640    HD3  LYS 208           HD1      LYS 208   1.354  12.076   8.396
  641    HE2  LYS 208           HE2      LYS 208   3.556  10.898   8.527
  642    HE3  LYS 208           HE1      LYS 208   3.978  11.634   6.980
  643    HZ1  LYS 208           HZ1      LYS 208   4.877  12.954   8.742
  644    HZ2  LYS 208           HZ2      LYS 208   3.369  13.047   9.516
  645    HZ3  LYS 208           HZ3      LYS 208   3.602  13.827   8.032
  646    H    ASN 209           H        ASN 209  -1.692  12.967   4.063
  647    HA   ASN 209           HA       ASN 209  -3.790  13.161   3.233
  648    HB2  ASN 209           HB2      ASN 209  -2.998  11.139   1.893
  649    HB3  ASN 209           HB1      ASN 209  -3.874  10.143   3.050
  650   HD21  ASN 209          1HD2      ASN 209  -6.113  10.135   3.019
  651   HD22  ASN 209          2HD2      ASN 209  -7.027  10.814   1.717
  652    H    LYS 210           H        LYS 210  -3.627  13.425   5.853
  653    HA   LYS 210           HA       LYS 210  -5.891  11.891   6.951
  654    HB2  LYS 210           HB2      LYS 210  -3.710  11.602   8.124
  655    HB3  LYS 210           HB1      LYS 210  -3.693  13.328   8.452
  656    HG2  LYS 210           HG2      LYS 210  -5.755  13.088   9.760
  657    HG3  LYS 210           HG1      LYS 210  -5.724  11.348   9.460
  658    HD2  LYS 210           HD2      LYS 210  -3.514  11.235  10.563
  659    HD3  LYS 210           HD1      LYS 210  -3.630  12.958  10.921
  660    HE2  LYS 210           HE2      LYS 210  -5.469  10.784  11.916
  661    HE3  LYS 210           HE1      LYS 210  -4.259  11.649  12.860
  662    HZ1  LYS 210           HZ1      LYS 210  -6.370  12.597  13.317
  663    HZ2  LYS 210           HZ2      LYS 210  -6.740  12.762  11.674
  664    HZ3  LYS 210           HZ3      LYS 210  -5.523  13.721  12.369
  665    H    SER 211           H        SER 211  -7.661  12.999   7.647
  666    HA   SER 211           HA       SER 211  -7.748  15.834   6.994
  667    HB2  SER 211           HB2      SER 211 -10.098  14.249   7.990
  668    HB3  SER 211           HB1      SER 211 -10.071  15.602   6.858
  669    HG   SER 211           HG       SER 211  -9.337  14.263   5.263
  670    H    ASP 212           H        ASP 212  -6.635  16.790   8.742
  671    HA   ASP 212           HA       ASP 212  -7.841  16.416  11.396
  672    HB2  ASP 212           HB2      ASP 212  -5.209  17.604  10.527
  673    HB3  ASP 212           HB1      ASP 212  -5.849  17.851  12.148
  674    H    LEU 213           H        LEU 213  -6.810  18.981   9.174
  675    HA   LEU 213           HA       LEU 213  -8.235  21.001  10.642
  676    HB2  LEU 213           HB2      LEU 213  -6.973  21.077   7.898
  677    HB3  LEU 213           HB1      LEU 213  -7.637  22.468   8.733
  678    HG   LEU 213           HG       LEU 213  -5.256  20.833   9.603
  679   HD11  LEU 213          1HD1      LEU 213  -5.491  23.659   8.582
  680   HD12  LEU 213          2HD1      LEU 213  -4.785  22.291   7.721
  681   HD13  LEU 213          3HD1      LEU 213  -4.015  22.905   9.185
  682   HD21  LEU 213          3HD2      LEU 213  -5.018  22.487  11.393
  683   HD22  LEU 213          1HD2      LEU 213  -6.528  21.589  11.536
  684   HD23  LEU 213          2HD2      LEU 213  -6.538  23.236  10.904
  685    H    LYS 214           H        LYS 214 -10.347  21.120  10.633
  686    HA   LYS 214           HA       LYS 214 -11.792  20.941   8.113
  687    HB2  LYS 214           HB2      LYS 214 -13.524  19.448   9.220
  688    HB3  LYS 214           HB1      LYS 214 -12.004  18.682   8.784
  689    HG2  LYS 214           HG2      LYS 214 -11.256  18.831  11.103
  690    HG3  LYS 214           HG1      LYS 214 -12.768  19.627  11.541
  691    HD2  LYS 214           HD2      LYS 214 -14.022  17.646  10.902
  692    HD3  LYS 214           HD1      LYS 214 -12.535  16.850  10.382
  693    HE2  LYS 214           HE2      LYS 214 -11.693  16.839  12.635
  694    HE3  LYS 214           HE1      LYS 214 -13.056  17.806  13.193
  695    HZ1  LYS 214           HZ1      LYS 214 -13.404  15.518  13.760
  696    HZ2  LYS 214           HZ2      LYS 214 -13.174  15.024  12.156
  697    HZ3  LYS 214           HZ3      LYS 214 -14.528  15.955  12.566
  698    H    ALA 215           H        ALA 215 -12.871  22.744   7.992
  699    HA   ALA 215           HA       ALA 215 -14.079  24.591   8.485
  700    HB1  ALA 215           HB1      ALA 215 -15.783  22.890   8.952
  701    HB2  ALA 215           HB2      ALA 215 -15.985  24.325   9.959
  702    HB3  ALA 215           HB3      ALA 215 -15.279  22.861  10.644
  703    H    ASP 216           H        ASP 216 -12.207  25.773   9.138
  704    HA   ASP 216           HA       ASP 216 -12.025  26.188  12.047
  705    HB2  ASP 216           HB2      ASP 216 -10.068  26.631   9.817
  706    HB3  ASP 216           HB1      ASP 216  -9.911  27.533  11.322
  707    H    SER 217           H        SER 217 -11.987  28.049   9.008
  708    HA   SER 217           HA       SER 217 -12.699  30.473  10.393
  709    HB2  SER 217           HB2      SER 217 -12.650  29.926   7.415
  710    HB3  SER 217           HB1      SER 217 -12.673  31.508   8.195
  711    HG   SER 217           HG       SER 217 -10.630  30.329   9.258
  712    H    GLY 218           H        GLY 218 -14.675  30.243  11.341
  713    HA2  GLY 218           HA2      GLY 218 -16.936  29.675   9.520
  714    HA3  GLY 218           HA1      GLY 218 -16.888  29.086  11.176
  715    H    VAL 219           H        VAL 219 -15.772  32.235  10.189
  716    HA   VAL 219           HA       VAL 219 -17.347  33.543  12.155
  717    HB   VAL 219           HB       VAL 219 -16.492  35.653  11.217
  718   HG11  VAL 219          1HG1      VAL 219 -14.123  35.261  11.669
  719   HG12  VAL 219          2HG1      VAL 219 -14.381  33.524  11.523
  720   HG13  VAL 219          3HG1      VAL 219 -15.150  34.421  12.831
  721   HG21  VAL 219          3HG2      VAL 219 -16.504  35.003   8.837
  722   HG22  VAL 219          1HG2      VAL 219 -15.124  33.946   9.137
  723   HG23  VAL 219          2HG2      VAL 219 -14.960  35.690   9.344
  724    H    HIS 220           H        HIS 220 -17.838  32.749   8.834
  725    HA   HIS 220           HA       HIS 220 -20.366  34.260   8.885
  726    HB2  HIS 220           HB2      HIS 220 -18.801  35.096   7.168
  727    HB3  HIS 220           HB1      HIS 220 -18.704  33.482   6.475
  728    HD1  HIS 220           HD1      HIS 220 -21.185  36.292   6.981
  729    HD2  HIS 220           HD2      HIS 220 -20.652  32.898   4.637
  730    HE1  HIS 220           HE1      HIS 220 -23.013  36.363   5.251
  731    HE2  HIS 220           HE2      HIS 220 -22.793  34.192   3.991
  732    H1   SER 454           HT1      SER 454  16.326  25.824  -0.774
  733    H2   SER 454           HT2      SER 454  17.966  25.466  -0.976
  734    H3   SER 454           HT3      SER 454  17.052  24.623   0.175
  735    HA   SER 454           HA       SER 454  15.685  23.689  -1.587
  736    HB2  SER 454           HB2      SER 454  17.705  25.105  -3.341
  737    HB3  SER 454           HB1      SER 454  16.553  23.903  -3.921
  738    HG   SER 454           HG       SER 454  15.011  25.335  -3.844
  739    H    ASN 455           H        ASN 455  16.233  21.633  -2.410
  740    HA   ASN 455           HA       ASN 455  18.642  20.548  -1.205
  741    HB2  ASN 455           HB2      ASN 455  16.282  19.272  -2.592
  742    HB3  ASN 455           HB1      ASN 455  17.686  18.349  -2.067
  743   HD21  ASN 455          1HD2      ASN 455  18.155  19.816   0.347
  744   HD22  ASN 455          2HD2      ASN 455  16.870  19.413   1.439
  745    H    ALA 456           H        ALA 456  17.224  20.950  -4.393
  746    HA   ALA 456           HA       ALA 456  18.047  20.862  -6.492
  747    HB1  ALA 456           HB1      ALA 456  20.773  21.056  -5.218
  748    HB2  ALA 456           HB2      ALA 456  19.734  22.429  -5.606
  749    HB3  ALA 456           HB3      ALA 456  20.360  21.403  -6.898
  750    H    SER 457           H        SER 457  17.511  18.918  -7.257
  751    HA   SER 457           HA       SER 457  18.677  16.484  -6.368
  752    HB2  SER 457           HB2      SER 457  17.490  15.661  -8.563
  753    HB3  SER 457           HB1      SER 457  16.524  16.204  -7.189
  754    HG   SER 457           HG       SER 457  16.872  17.354  -9.686
  755    H    LYS 458           H        LYS 458  20.267  15.230  -7.253
  756    HA   LYS 458           HA       LYS 458  21.663  16.299  -9.609
  757    HB2  LYS 458           HB2      LYS 458  22.860  17.041  -7.587
  758    HB3  LYS 458           HB1      LYS 458  22.988  15.370  -7.052
  759    HG2  LYS 458           HG2      LYS 458  24.325  14.864  -9.068
  760    HG3  LYS 458           HG1      LYS 458  24.257  16.573  -9.504
  761    HD2  LYS 458           HD2      LYS 458  25.405  17.167  -7.446
  762    HD3  LYS 458           HD1      LYS 458  25.425  15.473  -6.947
  763    HE2  LYS 458           HE2      LYS 458  26.781  14.940  -8.944
  764    HE3  LYS 458           HE1      LYS 458  26.813  16.658  -9.350
  765    HZ1  LYS 458           HZ1      LYS 458  27.887  15.467  -6.849
  766    HZ2  LYS 458           HZ2      LYS 458  27.954  17.105  -7.278
  767    HZ3  LYS 458           HZ3      LYS 458  28.819  15.956  -8.176
  768    H    HIS 459           H        HIS 459  21.235  14.757 -11.043
  769    HA   HIS 459           HA       HIS 459  21.294  12.775 -12.140
  770    HB2  HIS 459           HB2      HIS 459  23.719  12.977 -11.346
  771    HB3  HIS 459           HB1      HIS 459  23.287  11.844 -10.070
  772    HD1  HIS 459           HD1      HIS 459  23.202   9.389 -10.670
  773    HD2  HIS 459           HD2      HIS 459  23.665  11.861 -13.984
  774    HE1  HIS 459           HE1      HIS 459  23.731   7.857 -12.589
  775    HE2  HIS 459           HE2      HIS 459  24.211   9.387 -14.532
  776    H    GLY 460           H        GLY 460  19.149  12.992 -10.549
  777    HA2  GLY 460           HA2      GLY 460  18.021  10.577 -10.292
  778    HA3  GLY 460           HA1      GLY 460  18.960  10.667  -8.810
  779    H    VAL 461           H        VAL 461  16.444  10.346  -8.340
  780    HA   VAL 461           HA       VAL 461  15.275  13.008  -7.891
  781    HB   VAL 461           HB       VAL 461  13.875  10.327  -7.881
  782   HG11  VAL 461          1HG1      VAL 461  11.816  11.654  -7.837
  783   HG12  VAL 461          2HG1      VAL 461  12.774  13.129  -7.710
  784   HG13  VAL 461          3HG1      VAL 461  12.807  11.939  -6.408
  785   HG21  VAL 461          3HG2      VAL 461  12.849  11.088  -9.986
  786   HG22  VAL 461          1HG2      VAL 461  14.598  10.918 -10.124
  787   HG23  VAL 461          2HG2      VAL 461  13.880  12.519  -9.956
  788    H    GLY 462           H        GLY 462  15.678   9.818  -6.350
  789    HA2  GLY 462           HA2      GLY 462  16.694  10.614  -3.955
  790    HA3  GLY 462           HA1      GLY 462  14.960  10.823  -3.754
  791    H    THR 463           H        THR 463  15.607   9.182  -2.015
  792    HA   THR 463           HA       THR 463  16.141   6.510  -2.860
  793    HB   THR 463           HB       THR 463  15.508   5.980  -0.434
  794    HG1  THR 463           HG1      THR 463  15.927   8.442   0.494
  795   HG21  THR 463          3HG2      THR 463  17.726   7.953  -0.990
  796   HG22  THR 463          1HG2      THR 463  17.819   6.205  -1.210
  797   HG23  THR 463          2HG2      THR 463  17.628   6.882   0.408
  798    H    GLU 464           H        GLU 464  13.298   8.383  -2.719
  799    HA   GLU 464           HA       GLU 464  11.344   6.452  -2.221
  800    HB2  GLU 464           HB2      GLU 464  11.173   8.687  -4.255
  801    HB3  GLU 464           HB1      GLU 464   9.820   7.842  -3.518
  802    HG2  GLU 464           HG2      GLU 464   9.807   9.678  -2.209
  803    HG3  GLU 464           HG1      GLU 464  10.985   8.735  -1.299
  804    H    SER 465           H        SER 465  12.786   7.419  -5.330
  805    HA   SER 465           HA       SER 465  11.521   5.472  -6.904
  806    HB2  SER 465           HB2      SER 465  14.229   6.745  -7.374
  807    HB3  SER 465           HB1      SER 465  13.187   6.013  -8.593
  808    HG   SER 465           HG       SER 465  11.925   7.736  -8.586
  809    H    LEU 466           H        LEU 466  14.468   5.412  -4.997
  810    HA   LEU 466           HA       LEU 466  15.515   2.956  -5.873
  811    HB2  LEU 466           HB2      LEU 466  16.800   4.524  -4.514
  812    HB3  LEU 466           HB1      LEU 466  15.698   4.296  -3.171
  813    HG   LEU 466           HG       LEU 466  16.410   1.895  -3.088
  814   HD11  LEU 466          1HD1      LEU 466  18.496   2.843  -5.048
  815   HD12  LEU 466          2HD1      LEU 466  17.229   1.654  -5.356
  816   HD13  LEU 466          3HD1      LEU 466  18.515   1.297  -4.202
  817   HD21  LEU 466          3HD2      LEU 466  18.572   3.964  -2.723
  818   HD22  LEU 466          1HD2      LEU 466  18.533   2.365  -1.979
  819   HD23  LEU 466          2HD2      LEU 466  17.311   3.565  -1.557
  820    H    PHE 467           H        PHE 467  13.404   3.732  -3.114
  821    HA   PHE 467           HA       PHE 467  12.921   1.205  -2.137
  822    HB2  PHE 467           HB2      PHE 467  12.085   3.098  -0.968
  823    HB3  PHE 467           HB1      PHE 467  11.133   3.620  -2.350
  824    HD1  PHE 467           HD2      PHE 467  11.435   0.819   0.085
  825    HD2  PHE 467           HD1      PHE 467   8.894   3.078  -2.473
  826    HE1  PHE 467           HE2      PHE 467   9.476  -0.359   0.993
  827    HE2  PHE 467           HE1      PHE 467   6.930   1.904  -1.569
  828    HZ   PHE 467           HZ       PHE 467   7.223   0.183   0.168
  829    H    PHE 468           H        PHE 468  10.990   2.881  -4.646
  830    HA   PHE 468           HA       PHE 468   9.199   0.720  -4.943
  831    HB2  PHE 468           HB2      PHE 468   9.776   3.104  -6.684
  832    HB3  PHE 468           HB1      PHE 468   8.556   1.900  -7.104
  833    HD1  PHE 468           HD1      PHE 468   6.599   1.567  -5.638
  834    HD2  PHE 468           HD2      PHE 468   9.383   4.714  -4.990
  835    HE1  PHE 468           HE1      PHE 468   4.973   2.701  -4.179
  836    HE2  PHE 468           HE2      PHE 468   7.766   5.851  -3.529
  837    HZ   PHE 468           HZ       PHE 468   5.556   4.846  -3.121
  838    H    ASP 469           H        ASP 469  12.211   1.488  -6.618
  839    HA   ASP 469           HA       ASP 469  11.974  -0.472  -8.634
  840    HB2  ASP 469           HB2      ASP 469  13.717   1.231  -8.750
  841    HB3  ASP 469           HB1      ASP 469  14.461   0.606  -7.280
  842    H    LYS 470           H        LYS 470  13.256  -0.600  -5.336
  843    HA   LYS 470           HA       LYS 470  13.952  -3.344  -5.429
  844    HB2  LYS 470           HB2      LYS 470  13.326  -1.548  -3.085
  845    HB3  LYS 470           HB1      LYS 470  13.921  -3.195  -2.928
  846    HG2  LYS 470           HG2      LYS 470  15.917  -2.484  -4.282
  847    HG3  LYS 470           HG1      LYS 470  15.338  -0.824  -4.109
  848    HD2  LYS 470           HD2      LYS 470  15.445  -1.043  -1.676
  849    HD3  LYS 470           HD1      LYS 470  16.015  -2.706  -1.847
  850    HE2  LYS 470           HE2      LYS 470  17.954  -1.803  -3.153
  851    HE3  LYS 470           HE1      LYS 470  17.417  -0.184  -2.708
  852    HZ1  LYS 470           HZ1      LYS 470  18.279  -2.339  -0.855
  853    HZ2  LYS 470           HZ2      LYS 470  17.636  -0.851  -0.356
  854    HZ3  LYS 470           HZ3      LYS 470  19.111  -0.897  -1.192
  855    H    VAL 471           H        VAL 471  10.977  -1.631  -4.646
  856    HA   VAL 471           HA       VAL 471   9.536  -3.786  -3.560
  857    HB   VAL 471           HB       VAL 471   8.494  -1.446  -5.173
  858   HG11  VAL 471          1HG1      VAL 471   6.872  -3.264  -5.154
  859   HG12  VAL 471          2HG1      VAL 471   6.323  -1.938  -4.128
  860   HG13  VAL 471          3HG1      VAL 471   7.011  -3.389  -3.399
  861   HG21  VAL 471          3HG2      VAL 471   7.939  -0.492  -2.990
  862   HG22  VAL 471          1HG2      VAL 471   9.671  -0.786  -3.141
  863   HG23  VAL 471          2HG2      VAL 471   8.670  -1.887  -2.195
  864    H    ARG 472           H        ARG 472   9.738  -2.614  -6.915
  865    HA   ARG 472           HA       ARG 472   8.119  -4.624  -8.036
  866    HB2  ARG 472           HB2      ARG 472   8.865  -2.481  -9.161
  867    HB3  ARG 472           HB1      ARG 472  10.422  -3.247  -9.430
  868    HG2  ARG 472           HG2      ARG 472   8.843  -5.116 -10.462
  869    HG3  ARG 472           HG1      ARG 472   7.809  -3.715 -10.717
  870    HD2  ARG 472           HD2      ARG 472  10.684  -3.610 -11.508
  871    HD3  ARG 472           HD1      ARG 472   9.522  -4.429 -12.545
  872    HE   ARG 472           HE       ARG 472   8.447  -1.932 -11.994
  873   HH11  ARG 472          1HH1      ARG 472  11.324  -3.226 -13.510
  874   HH12  ARG 472          2HH1      ARG 472  11.468  -1.933 -14.665
  875   HH21  ARG 472          1HH2      ARG 472   8.609  -0.223 -13.515
  876   HH22  ARG 472          2HH2      ARG 472   9.918  -0.228 -14.665
  877    H    LYS 473           H        LYS 473  11.522  -4.469  -7.241
  878    HA   LYS 473           HA       LYS 473  12.259  -6.890  -8.588
  879    HB2  LYS 473           HB2      LYS 473  13.628  -4.756  -7.619
  880    HB3  LYS 473           HB1      LYS 473  13.920  -5.930  -6.344
  881    HG2  LYS 473           HG2      LYS 473  14.758  -7.512  -8.054
  882    HG3  LYS 473           HG1      LYS 473  14.571  -6.240  -9.264
  883    HD2  LYS 473           HD2      LYS 473  16.399  -6.256  -6.870
  884    HD3  LYS 473           HD1      LYS 473  16.855  -6.240  -8.574
  885    HE2  LYS 473           HE2      LYS 473  15.431  -4.024  -7.099
  886    HE3  LYS 473           HE1      LYS 473  17.136  -4.039  -7.541
  887    HZ1  LYS 473           HZ1      LYS 473  15.850  -2.730  -9.096
  888    HZ2  LYS 473           HZ2      LYS 473  14.850  -4.054  -9.445
  889    HZ3  LYS 473           HZ3      LYS 473  16.487  -4.099  -9.877
  890    H    ALA 474           H        ALA 474  10.943  -6.120  -5.487
  891    HA   ALA 474           HA       ALA 474  11.774  -8.619  -4.271
  892    HB1  ALA 474           HB1      ALA 474  11.743  -6.548  -2.948
  893    HB2  ALA 474           HB2      ALA 474  10.703  -7.794  -2.263
  894    HB3  ALA 474           HB3      ALA 474   9.995  -6.452  -3.162
  895    H    LEU 475           H        LEU 475   8.659  -7.017  -4.964
  896    HA   LEU 475           HA       LEU 475   7.068  -9.253  -4.332
  897    HB2  LEU 475           HB2      LEU 475   6.617  -6.741  -5.888
  898    HB3  LEU 475           HB1      LEU 475   5.423  -8.017  -5.978
  899    HG   LEU 475           HG       LEU 475   5.104  -7.905  -3.543
  900   HD11  LEU 475          1HD1      LEU 475   7.090  -5.645  -3.669
  901   HD12  LEU 475          2HD1      LEU 475   7.291  -7.188  -2.838
  902   HD13  LEU 475          3HD1      LEU 475   6.081  -6.033  -2.276
  903   HD21  LEU 475          3HD2      LEU 475   4.854  -5.236  -4.924
  904   HD22  LEU 475          1HD2      LEU 475   3.999  -5.724  -3.461
  905   HD23  LEU 475          2HD2      LEU 475   3.685  -6.555  -4.985
  906    H    ARG 476           H        ARG 476   8.329  -8.056  -7.410
  907    HA   ARG 476           HA       ARG 476   8.963  -9.105  -9.304
  908    HB2  ARG 476           HB2      ARG 476   8.572 -11.606  -7.659
  909    HB3  ARG 476           HB1      ARG 476   9.286 -11.581  -9.270
  910    HG2  ARG 476           HG2      ARG 476  11.041 -10.050  -8.406
  911    HG3  ARG 476           HG1      ARG 476  10.357 -10.248  -6.792
  912    HD2  ARG 476           HD2      ARG 476  10.724 -12.702  -7.017
  913    HD3  ARG 476           HD1      ARG 476  11.561 -12.388  -8.537
  914    HE   ARG 476           HE       ARG 476  12.587 -10.930  -6.262
  915   HH11  ARG 476          1HH1      ARG 476  12.861 -13.773  -8.288
  916   HH12  ARG 476          2HH1      ARG 476  14.435 -14.207  -7.694
  917   HH21  ARG 476          1HH2      ARG 476  14.675 -11.487  -5.494
  918   HH22  ARG 476          2HH2      ARG 476  15.476 -12.898  -6.116
  919    H    SER 477           H        SER 477   6.289 -10.990  -7.908
  920    HA   SER 477           HA       SER 477   5.186 -11.856 -10.327
  921    HB2  SER 477           HB2      SER 477   4.686 -12.781  -8.057
  922    HB3  SER 477           HB1      SER 477   3.729 -11.341  -7.724
  923    HG   SER 477           HG       SER 477   3.183 -13.529  -9.352
  924    H    ALA 478           H        ALA 478   3.679 -11.041 -11.695
  925    HA   ALA 478           HA       ALA 478   3.550  -8.261 -12.023
  926    HB1  ALA 478           HB1      ALA 478   1.743 -10.365 -13.204
  927    HB2  ALA 478           HB2      ALA 478   3.299  -9.858 -13.861
  928    HB3  ALA 478           HB3      ALA 478   1.952  -8.720 -13.802
  929    H    GLU 479           H        GLU 479   0.945 -10.506 -11.077
  930    HA   GLU 479           HA       GLU 479  -0.973  -8.545 -10.513
  931    HB2  GLU 479           HB2      GLU 479  -0.643 -11.359  -9.481
  932    HB3  GLU 479           HB1      GLU 479  -2.028 -10.356  -9.086
  933    HG2  GLU 479           HG2      GLU 479  -1.211 -11.116 -11.879
  934    HG3  GLU 479           HG1      GLU 479  -2.438 -11.949 -10.926
  935    H    ALA 480           H        ALA 480   1.628  -9.864  -8.590
  936    HA   ALA 480           HA       ALA 480   0.698  -8.941  -6.075
  937    HB1  ALA 480           HB1      ALA 480   2.867  -9.500  -5.237
  938    HB2  ALA 480           HB2      ALA 480   3.543  -9.512  -6.864
  939    HB3  ALA 480           HB3      ALA 480   2.375 -10.742  -6.387
  940    H    TYR 481           H        TYR 481   3.151  -7.644  -8.325
  941    HA   TYR 481           HA       TYR 481   3.688  -5.349  -6.752
  942    HB2  TYR 481           HB2      TYR 481   5.278  -6.137  -8.441
  943    HB3  TYR 481           HB1      TYR 481   4.119  -5.778  -9.716
  944    HD1  TYR 481           HD2      TYR 481   5.814  -4.065  -6.860
  945    HD2  TYR 481           HD1      TYR 481   4.345  -3.773 -10.841
  946    HE1  TYR 481           HE2      TYR 481   6.682  -1.770  -7.003
  947    HE2  TYR 481           HE1      TYR 481   5.208  -1.476 -10.997
  948    HH   TYR 481           HH       TYR 481   5.865   0.341  -9.598
  949    H    GLU 482           H        GLU 482   1.445  -6.009  -9.376
  950    HA   GLU 482           HA       GLU 482   0.519  -3.345  -9.657
  951    HB2  GLU 482           HB2      GLU 482   0.190  -5.287 -11.280
  952    HB3  GLU 482           HB1      GLU 482  -1.105  -5.822 -10.219
  953    HG2  GLU 482           HG2      GLU 482  -2.340  -3.829 -10.589
  954    HG3  GLU 482           HG1      GLU 482  -0.989  -3.083 -11.438
  955    H    ASN 483           H        ASN 483  -0.385  -6.042  -7.592
  956    HA   ASN 483           HA       ASN 483  -2.690  -4.982  -6.407
  957    HB2  ASN 483           HB2      ASN 483  -1.806  -7.316  -6.111
  958    HB3  ASN 483           HB1      ASN 483  -0.588  -6.662  -5.023
  959   HD21  ASN 483          1HD2      ASN 483  -3.870  -7.532  -5.438
  960   HD22  ASN 483          2HD2      ASN 483  -4.374  -7.269  -3.807
  961    H    PHE 484           H        PHE 484   0.717  -4.665  -5.504
  962    HA   PHE 484           HA       PHE 484   0.481  -2.970  -3.316
  963    HB2  PHE 484           HB2      PHE 484   2.604  -3.932  -3.896
  964    HB3  PHE 484           HB1      PHE 484   2.589  -3.166  -5.478
  965    HD1  PHE 484           HD1      PHE 484   2.782  -2.445  -1.848
  966    HD2  PHE 484           HD2      PHE 484   3.564  -1.091  -5.809
  967    HE1  PHE 484           HE1      PHE 484   4.074  -0.559  -0.942
  968    HE2  PHE 484           HE2      PHE 484   4.863   0.792  -4.907
  969    HZ   PHE 484           HZ       PHE 484   5.120   1.063  -2.474
  970    H    LEU 485           H        LEU 485   0.647  -2.208  -6.763
  971    HA   LEU 485           HA       LEU 485   0.474   0.593  -6.468
  972    HB2  LEU 485           HB2      LEU 485  -0.312  -1.143  -8.807
  973    HB3  LEU 485           HB1      LEU 485  -0.090   0.598  -8.859
  974    HG   LEU 485           HG       LEU 485   2.069  -1.426  -8.250
  975   HD11  LEU 485          1HD1      LEU 485   1.586   0.262 -10.697
  976   HD12  LEU 485          2HD1      LEU 485   1.363  -1.484 -10.577
  977   HD13  LEU 485          3HD1      LEU 485   2.975  -0.788 -10.415
  978   HD21  LEU 485          3HD2      LEU 485   2.206   1.567  -8.584
  979   HD22  LEU 485          1HD2      LEU 485   3.591   0.490  -8.414
  980   HD23  LEU 485          2HD2      LEU 485   2.447   0.670  -7.086
  981    H    ARG 486           H        ARG 486  -1.961  -1.936  -6.627
  982    HA   ARG 486           HA       ARG 486  -4.255  -0.345  -6.964
  983    HB2  ARG 486           HB2      ARG 486  -4.069  -2.762  -5.155
  984    HB3  ARG 486           HB1      ARG 486  -5.507  -2.130  -5.941
  985    HG2  ARG 486           HG2      ARG 486  -3.156  -3.266  -7.423
  986    HG3  ARG 486           HG1      ARG 486  -4.566  -4.205  -6.938
  987    HD2  ARG 486           HD2      ARG 486  -5.998  -2.743  -8.270
  988    HD3  ARG 486           HD1      ARG 486  -4.591  -1.791  -8.744
  989    HE   ARG 486           HE       ARG 486  -4.235  -3.327 -10.374
  990   HH11  ARG 486          1HH1      ARG 486  -5.928  -4.931  -7.756
  991   HH12  ARG 486          2HH1      ARG 486  -5.924  -6.482  -8.553
  992   HH21  ARG 486          1HH2      ARG 486  -4.233  -5.374 -11.408
  993   HH22  ARG 486          2HH2      ARG 486  -4.975  -6.732 -10.598
  994    H    CYS 487           H        CYS 487  -2.497  -1.353  -4.055
  995    HA   CYS 487           HA       CYS 487  -4.122  -0.020  -2.202
  996    HB2  CYS 487           HB2      CYS 487  -1.165  -0.624  -1.981
  997    HB3  CYS 487           HB1      CYS 487  -2.260  -0.282  -0.645
  998    HG   CYS 487           HG       CYS 487  -2.254  -3.065  -2.636
  999    H    LEU 488           H        LEU 488  -1.418   1.078  -4.160
 1000    HA   LEU 488           HA       LEU 488  -1.022   3.539  -2.837
 1001    HB2  LEU 488           HB2      LEU 488  -0.451   2.785  -5.698
 1002    HB3  LEU 488           HB1      LEU 488   0.135   4.224  -4.899
 1003    HG   LEU 488           HG       LEU 488   0.913   1.374  -4.339
 1004   HD11  LEU 488          1HD1      LEU 488   3.143   2.185  -4.893
 1005   HD12  LEU 488          2HD1      LEU 488   2.496   3.803  -5.170
 1006   HD13  LEU 488          3HD1      LEU 488   2.020   2.469  -6.225
 1007   HD21  LEU 488          3HD2      LEU 488   1.613   3.856  -2.778
 1008   HD22  LEU 488          1HD2      LEU 488   2.348   2.266  -2.559
 1009   HD23  LEU 488          2HD2      LEU 488   0.636   2.503  -2.207
 1010    H    VAL 489           H        VAL 489  -2.925   2.726  -5.762
 1011    HA   VAL 489           HA       VAL 489  -3.730   5.393  -6.230
 1012    HB   VAL 489           HB       VAL 489  -5.592   4.400  -7.617
 1013   HG11  VAL 489          1HG1      VAL 489  -4.064   3.593  -9.363
 1014   HG12  VAL 489          2HG1      VAL 489  -2.768   3.499  -8.171
 1015   HG13  VAL 489          3HG1      VAL 489  -3.469   5.062  -8.590
 1016   HG21  VAL 489          3HG2      VAL 489  -4.238   1.821  -6.836
 1017   HG22  VAL 489          1HG2      VAL 489  -5.405   1.995  -8.150
 1018   HG23  VAL 489          2HG2      VAL 489  -5.901   2.297  -6.485
 1019    H    ILE 490           H        ILE 490  -5.310   2.758  -4.426
 1020    HA   ILE 490           HA       ILE 490  -7.654   4.298  -3.944
 1021    HB   ILE 490           HB       ILE 490  -8.239   2.628  -2.234
 1022   HG12  ILE 490          2HG1      ILE 490  -5.519   1.494  -2.904
 1023   HG13  ILE 490          1HG1      ILE 490  -6.084   2.046  -1.329
 1024   HG21  ILE 490          1HG2      ILE 490  -8.464   0.748  -3.777
 1025   HG22  ILE 490          2HG2      ILE 490  -7.270   1.483  -4.847
 1026   HG23  ILE 490          3HG2      ILE 490  -8.816   2.283  -4.571
 1027   HD11  ILE 490          3HD1      ILE 490  -7.030  -0.369  -2.857
 1028   HD12  ILE 490          1HD1      ILE 490  -7.772   0.228  -1.366
 1029   HD13  ILE 490          2HD1      ILE 490  -6.098  -0.338  -1.357
 1030    H    PHE 491           H        PHE 491  -4.599   3.951  -2.230
 1031    HA   PHE 491           HA       PHE 491  -5.345   5.407   0.079
 1032    HB2  PHE 491           HB2      PHE 491  -3.265   4.130  -0.003
 1033    HB3  PHE 491           HB1      PHE 491  -2.655   5.166  -1.287
 1034    HD1  PHE 491           HD1      PHE 491  -3.623   5.102   2.285
 1035    HD2  PHE 491           HD2      PHE 491  -1.554   7.186  -0.798
 1036    HE1  PHE 491           HE1      PHE 491  -2.603   6.579   3.970
 1037    HE2  PHE 491           HE2      PHE 491  -0.539   8.666   0.881
 1038    HZ   PHE 491           HZ       PHE 491  -1.060   8.363   3.267
 1039    H    ASN 492           H        ASN 492  -4.003   6.362  -3.041
 1040    HA   ASN 492           HA       ASN 492  -3.756   9.119  -2.530
 1041    HB2  ASN 492           HB2      ASN 492  -2.701   7.981  -4.453
 1042    HB3  ASN 492           HB1      ASN 492  -4.289   7.732  -5.171
 1043   HD21  ASN 492          1HD2      ASN 492  -5.368   9.480  -6.090
 1044   HD22  ASN 492          2HD2      ASN 492  -4.583  10.983  -6.425
 1045    H    GLN 493           H        GLN 493  -6.459   7.162  -3.599
 1046    HA   GLN 493           HA       GLN 493  -8.147   9.450  -4.114
 1047    HB2  GLN 493           HB2      GLN 493  -8.686   6.483  -4.107
 1048    HB3  GLN 493           HB1      GLN 493  -9.915   7.689  -4.463
 1049    HG2  GLN 493           HG2      GLN 493  -8.517   8.478  -6.348
 1050    HG3  GLN 493           HG1      GLN 493  -7.394   7.159  -6.015
 1051   HE21  GLN 493          1HE2      GLN 493  -7.734   6.228  -8.026
 1052   HE22  GLN 493          2HE2      GLN 493  -9.195   5.397  -8.428
 1053    H    GLU 494           H        GLU 494  -7.029   8.551  -1.326
 1054    HA   GLU 494           HA       GLU 494  -7.684   8.850   0.833
 1055    HB2  GLU 494           HB2      GLU 494 -10.098  10.132  -0.462
 1056    HB3  GLU 494           HB1      GLU 494  -9.701  10.235   1.247
 1057    HG2  GLU 494           HG2      GLU 494  -7.738  11.496   0.795
 1058    HG3  GLU 494           HG1      GLU 494  -7.889  11.209  -0.938
 1059    H    VAL 495           H        VAL 495  -8.414   6.411  -0.630
 1060    HA   VAL 495           HA       VAL 495 -10.998   5.647   0.453
 1061    HB   VAL 495           HB       VAL 495  -9.017   4.118  -1.241
 1062   HG11  VAL 495          1HG1      VAL 495 -10.777   2.424  -1.486
 1063   HG12  VAL 495          2HG1      VAL 495 -11.755   3.282  -0.295
 1064   HG13  VAL 495          3HG1      VAL 495 -10.219   2.558   0.180
 1065   HG21  VAL 495          3HG2      VAL 495 -10.123   5.893  -2.448
 1066   HG22  VAL 495          1HG2      VAL 495 -11.696   5.358  -1.856
 1067   HG23  VAL 495          2HG2      VAL 495 -10.779   4.342  -2.967
 1068    H    ILE 496           H        ILE 496  -7.617   4.552   0.768
 1069    HA   ILE 496           HA       ILE 496  -8.405   3.289   3.308
 1070    HB   ILE 496           HB       ILE 496  -6.420   1.866   3.124
 1071   HG12  ILE 496          2HG1      ILE 496  -6.046   3.083   0.378
 1072   HG13  ILE 496          1HG1      ILE 496  -5.047   3.457   1.780
 1073   HG21  ILE 496          1HG2      ILE 496  -8.541   1.071   2.225
 1074   HG22  ILE 496          2HG2      ILE 496  -7.180   0.446   1.292
 1075   HG23  ILE 496          3HG2      ILE 496  -8.150   1.776   0.655
 1076   HD11  ILE 496          3HD1      ILE 496  -4.315   1.136   1.878
 1077   HD12  ILE 496          1HD1      ILE 496  -3.963   1.858   0.309
 1078   HD13  ILE 496          2HD1      ILE 496  -5.327   0.754   0.484
 1079    H    SER 497           H        SER 497  -7.114   3.634   5.147
 1080    HA   SER 497           HA       SER 497  -5.627   6.133   5.071
 1081    HB2  SER 497           HB2      SER 497  -5.677   5.916   7.566
 1082    HB3  SER 497           HB1      SER 497  -7.277   5.940   6.824
 1083    HG   SER 497           HG       SER 497  -7.548   4.168   7.927
 1084    H    ARG 498           H        ARG 498  -3.746   6.021   6.879
 1085    HA   ARG 498           HA       ARG 498  -1.609   4.701   5.698
 1086    HB2  ARG 498           HB2      ARG 498  -1.411   6.622   7.261
 1087    HB3  ARG 498           HB1      ARG 498  -1.833   5.552   8.591
 1088    HG2  ARG 498           HG2      ARG 498   0.205   4.156   7.740
 1089    HG3  ARG 498           HG1      ARG 498   0.676   5.687   6.991
 1090    HD2  ARG 498           HD2      ARG 498   0.097   5.236   9.917
 1091    HD3  ARG 498           HD1      ARG 498   1.693   5.423   9.197
 1092    HE   ARG 498           HE       ARG 498   0.905   7.725   8.560
 1093   HH11  ARG 498          1HH1      ARG 498  -0.401   6.007  11.318
 1094   HH12  ARG 498          2HH1      ARG 498  -0.806   7.445  12.196
 1095   HH21  ARG 498          1HH2      ARG 498   0.353   9.638   9.721
 1096   HH22  ARG 498          2HH2      ARG 498  -0.393   9.507  11.286
 1097    H    ALA 499           H        ALA 499  -3.400   3.820   8.643
 1098    HA   ALA 499           HA       ALA 499  -1.922   1.535   9.273
 1099    HB1  ALA 499           HB1      ALA 499  -3.417   2.638  10.853
 1100    HB2  ALA 499           HB2      ALA 499  -3.796   0.922  10.706
 1101    HB3  ALA 499           HB3      ALA 499  -4.810   2.122   9.903
 1102    H    GLU 500           H        GLU 500  -4.955   1.850   7.454
 1103    HA   GLU 500           HA       GLU 500  -5.438  -0.850   6.967
 1104    HB2  GLU 500           HB2      GLU 500  -6.047   1.461   5.113
 1105    HB3  GLU 500           HB1      GLU 500  -6.844  -0.106   5.122
 1106    HG2  GLU 500           HG2      GLU 500  -6.921   1.884   7.377
 1107    HG3  GLU 500           HG1      GLU 500  -8.180   1.676   6.164
 1108    H    LEU 501           H        LEU 501  -3.615   1.513   5.064
 1109    HA   LEU 501           HA       LEU 501  -2.974  -0.164   2.901
 1110    HB2  LEU 501           HB2      LEU 501  -2.808   2.287   2.860
 1111    HB3  LEU 501           HB1      LEU 501  -1.469   2.217   3.985
 1112    HG   LEU 501           HG       LEU 501  -1.256   0.815   1.341
 1113   HD11  LEU 501          1HD1      LEU 501  -0.295   2.836   0.379
 1114   HD12  LEU 501          2HD1      LEU 501  -0.702   3.734   1.841
 1115   HD13  LEU 501          3HD1      LEU 501  -1.986   3.088   0.818
 1116   HD21  LEU 501          3HD2      LEU 501   1.108   1.326   1.660
 1117   HD22  LEU 501          1HD2      LEU 501   0.442   0.400   3.007
 1118   HD23  LEU 501          2HD2      LEU 501   0.723   2.134   3.180
 1119    H    VAL 502           H        VAL 502  -1.129   0.602   5.848
 1120    HA   VAL 502           HA       VAL 502   1.160  -0.877   5.129
 1121    HB   VAL 502           HB       VAL 502   0.163  -0.074   7.872
 1122   HG11  VAL 502          1HG1      VAL 502   1.755  -1.900   8.072
 1123   HG12  VAL 502          2HG1      VAL 502   2.484  -0.387   8.612
 1124   HG13  VAL 502          3HG1      VAL 502   2.890  -1.045   7.027
 1125   HG21  VAL 502          3HG2      VAL 502   2.177   1.206   6.023
 1126   HG22  VAL 502          1HG2      VAL 502   1.792   1.750   7.655
 1127   HG23  VAL 502          2HG2      VAL 502   0.565   1.819   6.390
 1128    H    GLN 503           H        GLN 503  -1.852  -1.802   6.670
 1129    HA   GLN 503           HA       GLN 503  -0.916  -4.403   7.451
 1130    HB2  GLN 503           HB2      GLN 503  -3.680  -3.211   7.267
 1131    HB3  GLN 503           HB1      GLN 503  -3.379  -4.865   7.781
 1132    HG2  GLN 503           HG2      GLN 503  -1.978  -4.012   9.619
 1133    HG3  GLN 503           HG1      GLN 503  -2.377  -2.367   9.127
 1134   HE21  GLN 503          1HE2      GLN 503  -3.573  -5.314  10.533
 1135   HE22  GLN 503          2HE2      GLN 503  -5.019  -4.640  11.201
 1136    H    LEU 504           H        LEU 504  -2.630  -3.100   4.641
 1137    HA   LEU 504           HA       LEU 504  -3.385  -5.566   3.525
 1138    HB2  LEU 504           HB2      LEU 504  -2.910  -2.851   2.321
 1139    HB3  LEU 504           HB1      LEU 504  -3.505  -4.212   1.403
 1140    HG   LEU 504           HG       LEU 504  -4.890  -2.942   3.755
 1141   HD11  LEU 504          1HD1      LEU 504  -4.953  -1.544   1.780
 1142   HD12  LEU 504          2HD1      LEU 504  -6.542  -2.252   2.074
 1143   HD13  LEU 504          3HD1      LEU 504  -5.505  -2.905   0.805
 1144   HD21  LEU 504          3HD2      LEU 504  -5.717  -5.224   1.965
 1145   HD22  LEU 504          1HD2      LEU 504  -6.765  -4.426   3.140
 1146   HD23  LEU 504          2HD2      LEU 504  -5.346  -5.317   3.687
 1147    H    VAL 505           H        VAL 505  -0.502  -3.572   3.158
 1148    HA   VAL 505           HA       VAL 505   0.575  -5.297   1.099
 1149    HB   VAL 505           HB       VAL 505   0.873  -2.780   1.199
 1150   HG11  VAL 505          1HG1      VAL 505   2.889  -3.510   3.314
 1151   HG12  VAL 505          2HG1      VAL 505   1.441  -2.525   3.524
 1152   HG13  VAL 505          3HG1      VAL 505   2.767  -1.938   2.520
 1153   HG21  VAL 505          3HG2      VAL 505   3.141  -2.852   0.290
 1154   HG22  VAL 505          1HG2      VAL 505   2.142  -4.164  -0.334
 1155   HG23  VAL 505          2HG2      VAL 505   3.341  -4.487   0.920
 1156    H    SER 506           H        SER 506   0.200  -5.892   4.190
 1157    HA   SER 506           HA       SER 506   2.696  -6.425   5.300
 1158    HB2  SER 506           HB2      SER 506   0.624  -6.446   6.616
 1159    HB3  SER 506           HB1      SER 506   0.106  -7.912   5.788
 1160    HG   SER 506           HG       SER 506   2.613  -8.010   6.967
 1161    HA   PRO 507           HA       PRO 507   2.497 -10.952   3.578
 1162    HB2  PRO 507           HB2      PRO 507   0.587 -10.837   1.346
 1163    HB3  PRO 507           HB1      PRO 507   0.705 -12.007   2.662
 1164    HG2  PRO 507           HG2      PRO 507  -1.299 -10.229   2.540
 1165    HG3  PRO 507           HG1      PRO 507  -0.596 -10.738   4.087
 1166    HD2  PRO 507           HD2      PRO 507  -0.103  -8.235   2.513
 1167    HD3  PRO 507           HD1      PRO 507  -0.349  -8.434   4.261
 1168    H    PHE 508           H        PHE 508   2.797  -8.057   1.999
 1169    HA   PHE 508           HA       PHE 508   4.209  -9.252  -0.297
 1170    HB2  PHE 508           HB2      PHE 508   3.100  -6.451   0.041
 1171    HB3  PHE 508           HB1      PHE 508   3.973  -7.030  -1.371
 1172    HD1  PHE 508           HD1      PHE 508   0.864  -7.390   0.584
 1173    HD2  PHE 508           HD2      PHE 508   2.888  -8.287  -3.051
 1174    HE1  PHE 508           HE1      PHE 508  -1.255  -8.159  -0.401
 1175    HE2  PHE 508           HE2      PHE 508   0.771  -9.056  -4.042
 1176    HZ   PHE 508           HZ       PHE 508  -1.303  -8.992  -2.716
 1177    H    LEU 509           H        LEU 509   4.447  -6.221   1.583
 1178    HA   LEU 509           HA       LEU 509   7.320  -6.251   1.170
 1179    HB2  LEU 509           HB2      LEU 509   5.475  -4.226   2.426
 1180    HB3  LEU 509           HB1      LEU 509   7.214  -4.021   2.332
 1181    HG   LEU 509           HG       LEU 509   5.316  -4.228  -0.008
 1182   HD11  LEU 509          1HD1      LEU 509   5.199  -2.093   1.144
 1183   HD12  LEU 509          2HD1      LEU 509   5.986  -1.912  -0.424
 1184   HD13  LEU 509          3HD1      LEU 509   6.952  -1.930   1.051
 1185   HD21  LEU 509          3HD2      LEU 509   7.464  -5.289  -0.498
 1186   HD22  LEU 509          1HD2      LEU 509   8.305  -3.830   0.027
 1187   HD23  LEU 509          2HD2      LEU 509   7.267  -3.782  -1.398
 1188    H    GLY 510           H        GLY 510   5.135  -7.220   3.591
 1189    HA2  GLY 510           HA2      GLY 510   6.715  -6.722   5.894
 1190    HA3  GLY 510           HA1      GLY 510   5.408  -7.890   5.774
 1191    H    LYS 511           H        LYS 511   7.028  -8.970   3.370
 1192    HA   LYS 511           HA       LYS 511   8.512 -10.927   4.895
 1193    HB2  LYS 511           HB2      LYS 511   8.219 -10.635   1.898
 1194    HB3  LYS 511           HB1      LYS 511   8.810 -12.051   2.754
 1195    HG2  LYS 511           HG2      LYS 511   6.623 -12.377   3.764
 1196    HG3  LYS 511           HG1      LYS 511   6.025 -10.925   2.958
 1197    HD2  LYS 511           HD2      LYS 511   5.324 -12.883   1.723
 1198    HD3  LYS 511           HD1      LYS 511   6.506 -11.976   0.777
 1199    HE2  LYS 511           HE2      LYS 511   6.935 -14.375   0.663
 1200    HE3  LYS 511           HE1      LYS 511   8.258 -13.525   1.458
 1201    HZ1  LYS 511           HZ1      LYS 511   7.401 -14.222   3.593
 1202    HZ2  LYS 511           HZ2      LYS 511   7.655 -15.576   2.607
 1203    HZ3  LYS 511           HZ3      LYS 511   6.082 -14.990   2.856
 1204    H    PHE 512           H        PHE 512   9.124  -7.933   3.521
 1205    HA   PHE 512           HA       PHE 512  12.019  -8.462   3.410
 1206    HB2  PHE 512           HB2      PHE 512  10.469  -6.480   1.718
 1207    HB3  PHE 512           HB1      PHE 512  12.207  -6.768   1.652
 1208    HD1  PHE 512           HD1      PHE 512  13.079  -8.866   0.724
 1209    HD2  PHE 512           HD2      PHE 512   8.921  -7.955   0.651
 1210    HE1  PHE 512           HE1      PHE 512  12.726 -10.623  -0.963
 1211    HE2  PHE 512           HE2      PHE 512   8.562  -9.710  -1.033
 1212    HZ   PHE 512           HZ       PHE 512  10.465 -11.049  -1.841
 1213    HA   PRO 513           HA       PRO 513  11.238  -5.923   7.079
 1214    HB2  PRO 513           HB2      PRO 513  14.208  -6.192   7.167
 1215    HB3  PRO 513           HB1      PRO 513  13.015  -6.424   8.451
 1216    HG2  PRO 513           HG2      PRO 513  14.126  -8.521   7.274
 1217    HG3  PRO 513           HG1      PRO 513  12.398  -8.528   7.674
 1218    HD2  PRO 513           HD2      PRO 513  13.732  -8.145   5.028
 1219    HD3  PRO 513           HD1      PRO 513  12.223  -8.996   5.418
 1220    H    GLU 514           H        GLU 514  14.185  -5.221   5.162
 1221    HA   GLU 514           HA       GLU 514  14.427  -2.556   5.948
 1222    HB2  GLU 514           HB2      GLU 514  15.858  -2.274   3.951
 1223    HB3  GLU 514           HB1      GLU 514  16.251  -3.723   4.866
 1224    HG2  GLU 514           HG2      GLU 514  15.133  -5.108   3.260
 1225    HG3  GLU 514           HG1      GLU 514  14.544  -3.691   2.391
 1226    H    LEU 515           H        LEU 515  12.480  -3.977   3.404
 1227    HA   LEU 515           HA       LEU 515  11.908  -1.441   2.173
 1228    HB2  LEU 515           HB2      LEU 515  11.870  -4.055   1.340
 1229    HB3  LEU 515           HB1      LEU 515  10.163  -3.711   1.547
 1230    HG   LEU 515           HG       LEU 515  10.280  -1.885  -0.014
 1231   HD11  LEU 515          1HD1      LEU 515  12.386  -1.397  -1.223
 1232   HD12  LEU 515          2HD1      LEU 515  13.234  -2.472  -0.109
 1233   HD13  LEU 515          3HD1      LEU 515  12.459  -1.006   0.494
 1234   HD21  LEU 515          3HD2      LEU 515  11.699  -4.320  -1.085
 1235   HD22  LEU 515          1HD2      LEU 515  10.857  -3.108  -2.049
 1236   HD23  LEU 515          2HD2      LEU 515   9.953  -4.125  -0.927
 1237    H    PHE 516           H        PHE 516  10.262  -3.742   4.279
 1238    HA   PHE 516           HA       PHE 516   7.786  -2.366   4.404
 1239    HB2  PHE 516           HB2      PHE 516   8.384  -4.792   5.103
 1240    HB3  PHE 516           HB1      PHE 516   8.873  -4.074   6.632
 1241    HD1  PHE 516           HD2      PHE 516   6.006  -3.137   4.471
 1242    HD2  PHE 516           HD1      PHE 516   7.292  -4.895   8.126
 1243    HE1  PHE 516           HE2      PHE 516   3.669  -3.245   5.237
 1244    HE2  PHE 516           HE1      PHE 516   4.959  -5.009   8.898
 1245    HZ   PHE 516           HZ       PHE 516   3.143  -4.182   7.450
 1246    H    ASN 517           H        ASN 517  10.740  -2.261   6.322
 1247    HA   ASN 517           HA       ASN 517   9.853  -0.430   8.284
 1248    HB2  ASN 517           HB2      ASN 517  12.571  -1.223   7.254
 1249    HB3  ASN 517           HB1      ASN 517  12.401   0.056   8.449
 1250   HD21  ASN 517          1HD2      ASN 517  13.663  -2.588   8.615
 1251   HD22  ASN 517          2HD2      ASN 517  12.903  -3.390   9.942
 1252    H    TRP 518           H        TRP 518  11.490   0.004   5.173
 1253    HA   TRP 518           HA       TRP 518  11.832   2.775   5.224
 1254    HB2  TRP 518           HB2      TRP 518  12.723   1.150   3.497
 1255    HB3  TRP 518           HB1      TRP 518  11.116   1.116   2.790
 1256    HD1  TRP 518           HD1      TRP 518  14.337   2.964   2.631
 1257    HE1  TRP 518           HE1      TRP 518  14.123   4.999   1.063
 1258    HE3  TRP 518           HE3      TRP 518   9.244   3.093   2.113
 1259    HZ2  TRP 518           HZ2      TRP 518  12.086   6.475  -0.194
 1260    HZ3  TRP 518           HZ3      TRP 518   8.249   4.853   0.711
 1261    HH2  TRP 518           HH2      TRP 518   9.641   6.506  -0.419
 1262    H    PHE 519           H        PHE 519   9.123   0.813   4.069
 1263    HA   PHE 519           HA       PHE 519   7.469   2.865   3.156
 1264    HB2  PHE 519           HB2      PHE 519   7.336   0.182   3.111
 1265    HB3  PHE 519           HB1      PHE 519   6.224   0.482   4.439
 1266    HD1  PHE 519           HD1      PHE 519   6.508   2.844   1.637
 1267    HD2  PHE 519           HD2      PHE 519   4.358  -0.464   3.244
 1268    HE1  PHE 519           HE1      PHE 519   4.736   3.195  -0.017
 1269    HE2  PHE 519           HE2      PHE 519   2.586  -0.116   1.589
 1270    HZ   PHE 519           HZ       PHE 519   2.767   1.718  -0.047
 1271    H    LYS 520           H        LYS 520   7.623   1.295   6.332
 1272    HA   LYS 520           HA       LYS 520   5.567   2.761   7.557
 1273    HB2  LYS 520           HB2      LYS 520   8.012   1.438   8.725
 1274    HB3  LYS 520           HB1      LYS 520   6.737   2.152   9.699
 1275    HG2  LYS 520           HG2      LYS 520   5.122   0.599   8.729
 1276    HG3  LYS 520           HG1      LYS 520   6.409  -0.120   7.757
 1277    HD2  LYS 520           HD2      LYS 520   7.581  -0.812   9.765
 1278    HD3  LYS 520           HD1      LYS 520   6.368  -0.020  10.773
 1279    HE2  LYS 520           HE2      LYS 520   4.663  -1.531   9.917
 1280    HE3  LYS 520           HE1      LYS 520   5.855  -2.310   8.882
 1281    HZ1  LYS 520           HZ1      LYS 520   5.899  -2.273  11.858
 1282    HZ2  LYS 520           HZ2      LYS 520   7.062  -3.005  10.862
 1283    HZ3  LYS 520           HZ3      LYS 520   5.471  -3.590  10.882
 1284    H    ASN 521           H        ASN 521   9.051   3.361   7.362
 1285    HA   ASN 521           HA       ASN 521   9.093   5.575   9.107
 1286    HB2  ASN 521           HB2      ASN 521  11.086   4.241   8.419
 1287    HB3  ASN 521           HB1      ASN 521  10.992   4.986   6.826
 1288   HD21  ASN 521          1HD2      ASN 521  13.047   5.877   7.045
 1289   HD22  ASN 521          2HD2      ASN 521  13.353   7.230   8.083
 1290    H    PHE 522           H        PHE 522   8.706   5.314   5.610
 1291    HA   PHE 522           HA       PHE 522   8.706   8.115   5.112
 1292    HB2  PHE 522           HB2      PHE 522   9.158   6.307   3.414
 1293    HB3  PHE 522           HB1      PHE 522   7.438   5.944   3.426
 1294    HD1  PHE 522           HD1      PHE 522   9.232   9.210   3.419
 1295    HD2  PHE 522           HD2      PHE 522   6.621   6.563   1.343
 1296    HE1  PHE 522           HE1      PHE 522   8.889  10.914   1.676
 1297    HE2  PHE 522           HE2      PHE 522   6.274   8.261  -0.398
 1298    HZ   PHE 522           HZ       PHE 522   7.409  10.443  -0.234
 1299    H    LEU 523           H        LEU 523   6.161   5.728   5.684
 1300    HA   LEU 523           HA       LEU 523   4.025   7.594   5.239
 1301    HB2  LEU 523           HB2      LEU 523   4.122   4.797   6.344
 1302    HB3  LEU 523           HB1      LEU 523   2.630   5.708   6.207
 1303    HG   LEU 523           HG       LEU 523   4.411   5.121   3.843
 1304   HD11  LEU 523          1HD1      LEU 523   2.809   3.367   3.264
 1305   HD12  LEU 523          2HD1      LEU 523   1.979   3.616   4.802
 1306   HD13  LEU 523          3HD1      LEU 523   3.638   3.011   4.780
 1307   HD21  LEU 523          3HD2      LEU 523   2.429   5.684   2.566
 1308   HD22  LEU 523          1HD2      LEU 523   2.884   7.022   3.620
 1309   HD23  LEU 523          2HD2      LEU 523   1.531   5.975   4.055
 1310    H    GLY 524           H        GLY 524   6.119   7.180   7.793
 1311    HA2  GLY 524           HA2      GLY 524   6.149   8.158   9.882
 1312    HA3  GLY 524           HA1      GLY 524   4.610   8.913   9.493
 1313    H    TYR 525           H        TYR 525   5.202   5.474   9.380
 1314    HA   TYR 525           HA       TYR 525   3.196   5.141  11.499
 1315    HB2  TYR 525           HB2      TYR 525   2.682   4.130   9.283
 1316    HB3  TYR 525           HB1      TYR 525   4.124   3.135   9.430
 1317    HD1  TYR 525           HD1      TYR 525   0.983   3.903  11.322
 1318    HD2  TYR 525           HD2      TYR 525   3.884   0.985  10.233
 1319    HE1  TYR 525           HE1      TYR 525  -0.340   2.169  12.455
 1320    HE2  TYR 525           HE2      TYR 525   2.568  -0.753  11.366
 1321    HH   TYR 525           HH       TYR 525   0.887  -0.986  13.073
 1322    H    LYS 526           H        LYS 526   4.606   5.410  13.233
 1323    HA   LYS 526           HA       LYS 526   6.912   3.695  13.531
 1324    HB2  LYS 526           HB2      LYS 526   5.570   5.713  15.330
 1325    HB3  LYS 526           HB1      LYS 526   6.933   4.738  15.860
 1326    HG2  LYS 526           HG2      LYS 526   8.359   5.709  14.200
 1327    HG3  LYS 526           HG1      LYS 526   6.997   6.559  13.466
 1328    HD2  LYS 526           HD2      LYS 526   6.743   7.961  15.371
 1329    HD3  LYS 526           HD1      LYS 526   7.879   6.992  16.311
 1330    HE2  LYS 526           HE2      LYS 526   8.839   9.126  15.488
 1331    HE3  LYS 526           HE1      LYS 526   9.711   7.701  14.930
 1332    HZ1  LYS 526           HZ1      LYS 526   8.644   7.883  12.800
 1333    HZ2  LYS 526           HZ2      LYS 526   9.368   9.366  13.178
 1334    HZ3  LYS 526           HZ3      LYS 526   7.689   9.184  13.328
 1335    H    GLU 527           H        GLU 527   4.801   2.126  13.063
 1336    HA   GLU 527           HA       GLU 527   3.626   0.322  13.753
 1337    HB2  GLU 527           HB2      GLU 527   5.926   0.190  15.161
 1338    HB3  GLU 527           HB1      GLU 527   4.775   0.298  16.485
 1339    HG2  GLU 527           HG2      GLU 527   5.260  -2.009  15.983
 1340    HG3  GLU 527           HG1      GLU 527   3.579  -1.643  15.593
 1341    H    SER 528           H        SER 528   2.895   3.160  14.445
 1342    HA   SER 528           HA       SER 528   0.479   2.565  15.852
 1343    HB2  SER 528           HB2      SER 528   0.883   4.322  17.617
 1344    HB3  SER 528           HB1      SER 528   1.857   2.864  17.804
 1345    HG   SER 528           HG       SER 528   2.822   5.136  16.417
  Start of MODEL   19
    1    H1   SER 127           HT1      SER 127   7.783 -38.207  -2.876
    2    H2   SER 127           HT2      SER 127   6.311 -38.445  -2.071
    3    H3   SER 127           HT3      SER 127   7.321 -39.766  -2.400
    4    HA   SER 127           HA       SER 127   8.998 -38.915  -0.940
    5    HB2  SER 127           HB2      SER 127   6.993 -36.703  -0.454
    6    HB3  SER 127           HB1      SER 127   8.453 -36.962   0.502
    7    HG   SER 127           HG       SER 127   9.571 -36.815  -1.632
    8    H    ASN 128           H        ASN 128   8.517 -40.913  -0.144
    9    HA   ASN 128           HA       ASN 128   6.529 -40.942   2.033
   10    HB2  ASN 128           HB2      ASN 128   6.106 -43.320   1.567
   11    HB3  ASN 128           HB1      ASN 128   5.714 -42.324   0.171
   12   HD21  ASN 128          1HD2      ASN 128   6.361 -45.167   0.385
   13   HD22  ASN 128          2HD2      ASN 128   7.725 -45.431  -0.655
   14    H    ALA 129           H        ALA 129   9.591 -42.118   0.786
   15    HA   ALA 129           HA       ALA 129  10.514 -42.507   3.543
   16    HB1  ALA 129           HB1      ALA 129   9.951 -44.714   2.665
   17    HB2  ALA 129           HB2      ALA 129  11.692 -44.553   2.898
   18    HB3  ALA 129           HB3      ALA 129  11.005 -44.439   1.278
   19    H    GLY 130           H        GLY 130  11.263 -41.943   0.163
   20    HA2  GLY 130           HA2      GLY 130  13.076 -39.979   0.341
   21    HA3  GLY 130           HA1      GLY 130  14.053 -41.400   0.695
   22    H    SER 131           H        SER 131  14.909 -40.156  -1.411
   23    HA   SER 131           HA       SER 131  15.417 -40.321  -3.605
   24    HB2  SER 131           HB2      SER 131  13.926 -42.956  -3.498
   25    HB3  SER 131           HB1      SER 131  15.081 -42.458  -4.734
   26    HG   SER 131           HG       SER 131  16.570 -42.206  -2.806
   27    H    ASP 132           H        ASP 132  14.115 -38.519  -4.094
   28    HA   ASP 132           HA       ASP 132  11.664 -39.222  -5.574
   29    HB2  ASP 132           HB2      ASP 132  12.166 -36.861  -3.768
   30    HB3  ASP 132           HB1      ASP 132  10.910 -36.837  -5.001
   31    H    ASP 133           H        ASP 133  11.100 -37.546  -7.231
   32    HA   ASP 133           HA       ASP 133  13.348 -37.240  -8.953
   33    HB2  ASP 133           HB2      ASP 133  10.500 -36.255  -9.212
   34    HB3  ASP 133           HB1      ASP 133  11.708 -36.149 -10.489
   35    H    ASP 134           H        ASP 134  11.013 -34.747  -8.006
   36    HA   ASP 134           HA       ASP 134  13.237 -32.812  -7.947
   37    HB2  ASP 134           HB2      ASP 134  10.276 -32.375  -8.403
   38    HB3  ASP 134           HB1      ASP 134  11.467 -31.084  -8.285
   39    H    GLY 135           H        GLY 135  10.486 -34.093  -6.236
   40    HA2  GLY 135           HA2      GLY 135  11.383 -33.809  -3.691
   41    HA3  GLY 135           HA1      GLY 135  10.677 -32.237  -4.043
   42    H    GLY 136           H        GLY 136   9.002 -32.439  -2.571
   43    HA2  GLY 136           HA2      GLY 136   6.679 -33.776  -3.562
   44    HA3  GLY 136           HA1      GLY 136   7.339 -34.600  -2.159
   45    H    ASP 137           H        ASP 137   7.928 -31.256  -2.096
   46    HA   ASP 137           HA       ASP 137   5.426 -30.674  -0.710
   47    HB2  ASP 137           HB2      ASP 137   6.892 -31.446   1.078
   48    HB3  ASP 137           HB1      ASP 137   8.143 -30.315   0.569
   49    H    SER 138           H        SER 138   8.577 -29.035  -0.882
   50    HA   SER 138           HA       SER 138   7.283 -26.884  -2.406
   51    HB2  SER 138           HB2      SER 138   9.155 -26.468  -0.060
   52    HB3  SER 138           HB1      SER 138   8.403 -25.202  -1.030
   53    HG   SER 138           HG       SER 138   7.127 -27.065   0.709
   54    HA   PRO 139           HA       PRO 139  11.075 -27.893  -4.693
   55    HB2  PRO 139           HB2      PRO 139   9.706 -26.585  -6.914
   56    HB3  PRO 139           HB1      PRO 139  10.245 -28.259  -6.774
   57    HG2  PRO 139           HG2      PRO 139   7.626 -27.563  -6.773
   58    HG3  PRO 139           HG1      PRO 139   8.246 -28.968  -5.886
   59    HD2  PRO 139           HD2      PRO 139   7.542 -26.239  -4.867
   60    HD3  PRO 139           HD1      PRO 139   7.212 -27.830  -4.146
   61    H    VAL 140           H        VAL 140   9.325 -24.936  -5.661
   62    HA   VAL 140           HA       VAL 140  11.780 -23.427  -5.129
   63    HB   VAL 140           HB       VAL 140  10.964 -21.784  -6.791
   64   HG11  VAL 140          1HG1      VAL 140  12.592 -23.451  -7.458
   65   HG12  VAL 140          2HG1      VAL 140  11.482 -23.117  -8.787
   66   HG13  VAL 140          3HG1      VAL 140  11.299 -24.590  -7.835
   67   HG21  VAL 140          3HG2      VAL 140   9.171 -22.384  -8.335
   68   HG22  VAL 140          1HG2      VAL 140   8.579 -22.289  -6.677
   69   HG23  VAL 140          2HG2      VAL 140   8.874 -23.862  -7.418
   70    H    GLN 141           H        GLN 141  11.648 -21.552  -3.963
   71    HA   GLN 141           HA       GLN 141   9.022 -20.999  -2.731
   72    HB2  GLN 141           HB2      GLN 141  11.239 -21.843  -1.419
   73    HB3  GLN 141           HB1      GLN 141  11.477 -20.102  -1.339
   74    HG2  GLN 141           HG2      GLN 141  10.332 -20.823   0.634
   75    HG3  GLN 141           HG1      GLN 141   9.219 -19.881  -0.358
   76   HE21  GLN 141          1HE2      GLN 141   7.393 -20.818   0.546
   77   HE22  GLN 141          2HE2      GLN 141   6.931 -22.455   0.228
   78    H    ASP 142           H        ASP 142  10.198 -19.942  -5.190
   79    HA   ASP 142           HA       ASP 142  11.049 -17.246  -4.671
   80    HB2  ASP 142           HB2      ASP 142  10.465 -18.830  -7.152
   81    HB3  ASP 142           HB1      ASP 142  10.678 -17.086  -7.248
   82    H    ILE 143           H        ILE 143   8.116 -18.666  -4.472
   83    HA   ILE 143           HA       ILE 143   6.031 -17.845  -4.111
   84    HB   ILE 143           HB       ILE 143   7.109 -15.098  -4.766
   85   HG12  ILE 143          2HG1      ILE 143   6.793 -16.400  -2.050
   86   HG13  ILE 143          1HG1      ILE 143   8.330 -16.177  -2.879
   87   HG21  ILE 143          1HG2      ILE 143   4.644 -15.967  -3.264
   88   HG22  ILE 143          2HG2      ILE 143   4.690 -15.232  -4.868
   89   HG23  ILE 143          3HG2      ILE 143   5.194 -14.301  -3.458
   90   HD11  ILE 143          3HD1      ILE 143   8.006 -14.470  -1.197
   91   HD12  ILE 143          1HD1      ILE 143   6.481 -13.993  -1.945
   92   HD13  ILE 143          2HD1      ILE 143   8.000 -13.751  -2.808
   93    H    ASP 144           H        ASP 144   4.182 -17.506  -5.322
   94    HA   ASP 144           HA       ASP 144   4.616 -17.198  -8.212
   95    HB2  ASP 144           HB2      ASP 144   3.533 -19.286  -7.680
   96    HB3  ASP 144           HB1      ASP 144   2.347 -18.468  -6.665
   97    H    THR 145           H        THR 145   2.094 -16.451  -5.802
   98    HA   THR 145           HA       THR 145   1.938 -13.710  -6.732
   99    HB   THR 145           HB       THR 145  -0.552 -15.421  -6.903
  100    HG1  THR 145           HG1      THR 145   0.677 -16.083  -8.621
  101   HG21  THR 145          3HG2      THR 145   0.040 -12.613  -7.852
  102   HG22  THR 145          1HG2      THR 145  -0.939 -13.046  -6.452
  103   HG23  THR 145          2HG2      THR 145  -1.483 -13.475  -8.074
  104    HA   PRO 146           HA       PRO 146   0.975 -13.784  -2.234
  105    HB2  PRO 146           HB2      PRO 146   1.662 -10.932  -2.578
  106    HB3  PRO 146           HB1      PRO 146   2.292 -12.104  -1.418
  107    HG2  PRO 146           HG2      PRO 146   3.783 -11.234  -3.465
  108    HG3  PRO 146           HG1      PRO 146   3.883 -12.908  -2.883
  109    HD2  PRO 146           HD2      PRO 146   2.469 -11.821  -5.291
  110    HD3  PRO 146           HD1      PRO 146   3.412 -13.316  -5.115
  111    H    GLU 147           H        GLU 147  -0.789 -12.792  -1.130
  112    HA   GLU 147           HA       GLU 147  -2.636 -11.317  -2.864
  113    HB2  GLU 147           HB2      GLU 147  -4.485 -12.732  -1.853
  114    HB3  GLU 147           HB1      GLU 147  -3.445 -13.523  -3.028
  115    HG2  GLU 147           HG2      GLU 147  -2.146 -14.486  -1.138
  116    HG3  GLU 147           HG1      GLU 147  -3.344 -13.810  -0.034
  117    H    VAL 148           H        VAL 148  -4.154 -10.024  -1.823
  118    HA   VAL 148           HA       VAL 148  -3.293  -9.095   0.802
  119    HB   VAL 148           HB       VAL 148  -3.479  -7.420  -0.945
  120   HG11  VAL 148          1HG1      VAL 148  -5.606  -6.829  -1.965
  121   HG12  VAL 148          2HG1      VAL 148  -6.387  -8.171  -1.128
  122   HG13  VAL 148          3HG1      VAL 148  -5.151  -8.491  -2.346
  123   HG21  VAL 148          3HG2      VAL 148  -5.672  -7.119   1.092
  124   HG22  VAL 148          1HG2      VAL 148  -4.949  -5.812   0.155
  125   HG23  VAL 148          2HG2      VAL 148  -3.971  -6.705   1.320
  126    H    ASP 149           H        ASP 149  -4.726  -8.892   2.567
  127    HA   ASP 149           HA       ASP 149  -6.610 -11.038   2.684
  128    HB2  ASP 149           HB2      ASP 149  -5.097 -10.598   4.554
  129    HB3  ASP 149           HB1      ASP 149  -5.852  -9.024   4.787
  130    H    LEU 150           H        LEU 150  -6.785  -7.632   3.106
  131    HA   LEU 150           HA       LEU 150  -8.378  -6.063   2.718
  132    HB2  LEU 150           HB2      LEU 150  -9.864  -8.354   1.460
  133    HB3  LEU 150           HB1      LEU 150 -10.447  -6.700   1.466
  134    HG   LEU 150           HG       LEU 150  -7.867  -7.619   0.209
  135   HD11  LEU 150          1HD1      LEU 150  -9.794  -8.483  -0.991
  136   HD12  LEU 150          2HD1      LEU 150  -9.000  -7.211  -1.918
  137   HD13  LEU 150          3HD1      LEU 150 -10.496  -6.866  -1.049
  138   HD21  LEU 150          3HD2      LEU 150  -7.773  -5.310   0.979
  139   HD22  LEU 150          1HD2      LEU 150  -9.277  -4.957   0.128
  140   HD23  LEU 150          2HD2      LEU 150  -7.828  -5.381  -0.783
  141    H    TYR 151           H        TYR 151  -9.614  -9.061   4.144
  142    HA   TYR 151           HA       TYR 151 -11.867  -7.890   5.407
  143    HB2  TYR 151           HB2      TYR 151 -11.414 -10.375   5.061
  144    HB3  TYR 151           HB1      TYR 151 -10.308 -10.275   6.425
  145    HD1  TYR 151           HD2      TYR 151 -13.817 -10.198   5.383
  146    HD2  TYR 151           HD1      TYR 151 -11.148 -10.028   8.693
  147    HE1  TYR 151           HE2      TYR 151 -15.702 -10.571   6.912
  148    HE2  TYR 151           HE1      TYR 151 -13.029 -10.403  10.232
  149    HH   TYR 151           HH       TYR 151 -16.091 -11.435   9.183
  150    H    GLN 152           H        GLN 152  -8.522  -8.085   6.119
  151    HA   GLN 152           HA       GLN 152  -8.310  -7.323   8.759
  152    HB2  GLN 152           HB2      GLN 152  -6.130  -6.324   8.041
  153    HB3  GLN 152           HB1      GLN 152  -6.389  -7.968   7.469
  154    HG2  GLN 152           HG2      GLN 152  -7.122  -7.055   5.296
  155    HG3  GLN 152           HG1      GLN 152  -6.730  -5.438   5.875
  156   HE21  GLN 152          1HE2      GLN 152  -4.371  -6.384   7.334
  157   HE22  GLN 152          2HE2      GLN 152  -3.169  -6.674   6.121
  158    H    LEU 153           H        LEU 153  -9.414  -5.442   6.069
  159    HA   LEU 153           HA       LEU 153  -8.737  -2.887   7.170
  160    HB2  LEU 153           HB2      LEU 153 -10.646  -3.629   4.953
  161    HB3  LEU 153           HB1      LEU 153 -10.164  -1.992   5.359
  162    HG   LEU 153           HG       LEU 153  -8.383  -4.177   4.282
  163   HD11  LEU 153          1HD1      LEU 153  -9.289  -1.556   3.102
  164   HD12  LEU 153          2HD1      LEU 153  -9.856  -3.158   2.625
  165   HD13  LEU 153          3HD1      LEU 153  -8.175  -2.699   2.354
  166   HD21  LEU 153          3HD2      LEU 153  -6.616  -2.497   4.282
  167   HD22  LEU 153          1HD2      LEU 153  -7.194  -2.807   5.920
  168   HD23  LEU 153          2HD2      LEU 153  -7.698  -1.347   5.067
  169    H    GLN 154           H        GLN 154 -10.171  -1.311   7.904
  170    HA   GLN 154           HA       GLN 154 -12.207  -2.141   9.662
  171    HB2  GLN 154           HB2      GLN 154 -11.698   0.579   8.430
  172    HB3  GLN 154           HB1      GLN 154 -12.760   0.272   9.797
  173    HG2  GLN 154           HG2      GLN 154 -10.927  -0.360  11.176
  174    HG3  GLN 154           HG1      GLN 154  -9.819  -0.348   9.806
  175   HE21  GLN 154          1HE2      GLN 154 -10.931   2.072   8.670
  176   HE22  GLN 154          2HE2      GLN 154 -10.374   3.375   9.664
  177    H    VAL 155           H        VAL 155 -14.423  -2.208   9.435
  178    HA   VAL 155           HA       VAL 155 -15.547  -2.693   6.924
  179    HB   VAL 155           HB       VAL 155 -16.626  -3.549   8.900
  180   HG11  VAL 155          1HG1      VAL 155 -17.829  -2.105  10.469
  181   HG12  VAL 155          2HG1      VAL 155 -17.156  -0.687   9.663
  182   HG13  VAL 155          3HG1      VAL 155 -16.089  -1.823  10.489
  183   HG21  VAL 155          3HG2      VAL 155 -18.961  -2.844   8.521
  184   HG22  VAL 155          1HG2      VAL 155 -18.095  -3.199   7.027
  185   HG23  VAL 155          2HG2      VAL 155 -18.372  -1.525   7.509
  186    H    ASN 156           H        ASN 156 -15.208   0.289   8.740
  187    HA   ASN 156           HA       ASN 156 -16.823   1.927   7.086
  188    HB2  ASN 156           HB2      ASN 156 -16.039   2.637   9.316
  189    HB3  ASN 156           HB1      ASN 156 -14.383   2.682   8.722
  190   HD21  ASN 156          1HD2      ASN 156 -17.485   4.227   8.694
  191   HD22  ASN 156          2HD2      ASN 156 -16.966   5.711   7.968
  192    H    THR 157           H        THR 157 -13.440   0.942   6.922
  193    HA   THR 157           HA       THR 157 -12.691   2.688   4.825
  194    HB   THR 157           HB       THR 157 -11.428   0.046   5.589
  195    HG1  THR 157           HG1      THR 157 -10.077   2.191   6.481
  196   HG21  THR 157          3HG2      THR 157  -9.402   0.971   4.592
  197   HG22  THR 157          1HG2      THR 157 -10.269   2.449   4.169
  198   HG23  THR 157          2HG2      THR 157 -10.705   0.922   3.404
  199    H    LEU 158           H        LEU 158 -13.870  -0.660   4.878
  200    HA   LEU 158           HA       LEU 158 -13.615  -1.170   2.111
  201    HB2  LEU 158           HB2      LEU 158 -15.667  -2.274   4.030
  202    HB3  LEU 158           HB1      LEU 158 -15.266  -2.941   2.460
  203    HG   LEU 158           HG       LEU 158 -13.336  -2.750   4.762
  204   HD11  LEU 158          1HD1      LEU 158 -15.164  -4.263   5.282
  205   HD12  LEU 158          2HD1      LEU 158 -13.669  -5.154   4.994
  206   HD13  LEU 158          3HD1      LEU 158 -14.918  -5.101   3.750
  207   HD21  LEU 158          3HD2      LEU 158 -12.255  -2.762   2.580
  208   HD22  LEU 158          1HD2      LEU 158 -13.175  -4.195   2.120
  209   HD23  LEU 158          2HD2      LEU 158 -11.985  -4.290   3.419
  210    H    ARG 159           H        ARG 159 -16.267   0.067   4.070
  211    HA   ARG 159           HA       ARG 159 -18.118   0.455   1.993
  212    HB2  ARG 159           HB2      ARG 159 -18.828   0.518   4.304
  213    HB3  ARG 159           HB1      ARG 159 -17.775   1.889   4.632
  214    HG2  ARG 159           HG2      ARG 159 -19.109   3.239   3.056
  215    HG3  ARG 159           HG1      ARG 159 -20.204   1.872   2.857
  216    HD2  ARG 159           HD2      ARG 159 -20.790   1.949   5.197
  217    HD3  ARG 159           HD1      ARG 159 -19.603   3.222   5.485
  218    HE   ARG 159           HE       ARG 159 -21.463   4.005   3.482
  219   HH11  ARG 159          1HH1      ARG 159 -21.198   3.534   6.952
  220   HH12  ARG 159          2HH1      ARG 159 -22.358   4.776   7.329
  221   HH21  ARG 159          1HH2      ARG 159 -22.987   5.649   3.995
  222   HH22  ARG 159          2HH2      ARG 159 -23.376   5.961   5.663
  223    H    ARG 160           H        ARG 160 -15.433   2.365   3.169
  224    HA   ARG 160           HA       ARG 160 -16.075   4.783   1.848
  225    HB2  ARG 160           HB2      ARG 160 -14.391   4.319   3.760
  226    HB3  ARG 160           HB1      ARG 160 -13.276   3.880   2.474
  227    HG2  ARG 160           HG2      ARG 160 -13.542   6.113   1.498
  228    HG3  ARG 160           HG1      ARG 160 -14.617   6.551   2.829
  229    HD2  ARG 160           HD2      ARG 160 -11.705   5.792   3.004
  230    HD3  ARG 160           HD1      ARG 160 -12.412   7.378   3.309
  231    HE   ARG 160           HE       ARG 160 -13.637   6.134   5.194
  232   HH11  ARG 160          1HH1      ARG 160 -10.433   5.303   4.069
  233   HH12  ARG 160          2HH1      ARG 160  -9.881   4.777   5.633
  234   HH21  ARG 160          1HH2      ARG 160 -12.924   5.421   7.251
  235   HH22  ARG 160          2HH2      ARG 160 -11.287   4.855   7.439
  236    H    TYR 161           H        TYR 161 -13.983   2.041   1.002
  237    HA   TYR 161           HA       TYR 161 -13.081   2.851  -1.484
  238    HB2  TYR 161           HB2      TYR 161 -12.273   0.826  -0.418
  239    HB3  TYR 161           HB1      TYR 161 -13.870   0.094  -0.515
  240    HD1  TYR 161           HD1      TYR 161 -10.869   1.031  -2.421
  241    HD2  TYR 161           HD2      TYR 161 -14.670  -0.879  -2.580
  242    HE1  TYR 161           HE1      TYR 161 -10.278   0.037  -4.592
  243    HE2  TYR 161           HE2      TYR 161 -14.087  -1.875  -4.748
  244    HH   TYR 161           HH       TYR 161 -10.940  -1.927  -5.956
  245    H    LYS 162           H        LYS 162 -15.986   0.955  -0.753
  246    HA   LYS 162           HA       LYS 162 -16.842   0.798  -3.446
  247    HB2  LYS 162           HB2      LYS 162 -18.449   0.432  -0.916
  248    HB3  LYS 162           HB1      LYS 162 -18.893  -0.141  -2.520
  249    HG2  LYS 162           HG2      LYS 162 -17.089  -1.692  -2.552
  250    HG3  LYS 162           HG1      LYS 162 -16.401  -1.009  -1.079
  251    HD2  LYS 162           HD2      LYS 162 -17.546  -3.064  -0.553
  252    HD3  LYS 162           HD1      LYS 162 -18.432  -1.707   0.144
  253    HE2  LYS 162           HE2      LYS 162 -19.885  -1.764  -1.920
  254    HE3  LYS 162           HE1      LYS 162 -19.102  -3.295  -2.317
  255    HZ1  LYS 162           HZ1      LYS 162 -19.858  -4.164  -0.175
  256    HZ2  LYS 162           HZ2      LYS 162 -21.151  -3.689  -1.156
  257    HZ3  LYS 162           HZ3      LYS 162 -20.665  -2.704   0.135
  258    H    ARG 163           H        ARG 163 -17.491   3.066  -0.859
  259    HA   ARG 163           HA       ARG 163 -19.661   4.383  -2.166
  260    HB2  ARG 163           HB2      ARG 163 -19.393   4.527   0.246
  261    HB3  ARG 163           HB1      ARG 163 -17.834   5.315   0.055
  262    HG2  ARG 163           HG2      ARG 163 -18.955   7.227  -1.016
  263    HG3  ARG 163           HG1      ARG 163 -20.513   6.438  -0.753
  264    HD2  ARG 163           HD2      ARG 163 -20.128   6.479   1.658
  265    HD3  ARG 163           HD1      ARG 163 -18.561   7.243   1.404
  266    HE   ARG 163           HE       ARG 163 -20.258   8.953   0.174
  267   HH11  ARG 163          1HH1      ARG 163 -20.228   7.503   3.358
  268   HH12  ARG 163          2HH1      ARG 163 -21.061   8.822   4.121
  269   HH21  ARG 163          1HH2      ARG 163 -21.354  10.708   1.163
  270   HH22  ARG 163          2HH2      ARG 163 -21.702  10.653   2.870
  271    H    HIS 164           H        HIS 164 -16.172   5.000  -1.910
  272    HA   HIS 164           HA       HIS 164 -16.239   7.475  -3.289
  273    HB2  HIS 164           HB2      HIS 164 -14.352   6.655  -1.824
  274    HB3  HIS 164           HB1      HIS 164 -13.887   5.578  -3.139
  275    HD1  HIS 164           HD1      HIS 164 -13.466   8.991  -1.907
  276    HD2  HIS 164           HD2      HIS 164 -13.089   7.017  -5.551
  277    HE1  HIS 164           HE1      HIS 164 -12.148  10.541  -3.394
  278    HE2  HIS 164           HE2      HIS 164 -12.141   9.416  -5.648
  279    H    PHE 165           H        PHE 165 -15.679   4.143  -4.349
  280    HA   PHE 165           HA       PHE 165 -15.301   4.939  -7.089
  281    HB2  PHE 165           HB2      PHE 165 -15.471   2.294  -5.677
  282    HB3  PHE 165           HB1      PHE 165 -15.539   2.372  -7.435
  283    HD1  PHE 165           HD2      PHE 165 -13.440   3.100  -4.485
  284    HD2  PHE 165           HD1      PHE 165 -13.607   2.771  -8.723
  285    HE1  PHE 165           HE2      PHE 165 -10.985   3.190  -4.585
  286    HE2  PHE 165           HE1      PHE 165 -11.152   2.864  -8.832
  287    HZ   PHE 165           HZ       PHE 165  -9.838   3.076  -6.761
  288    H    LYS 166           H        LYS 166 -17.956   4.742  -5.154
  289    HA   LYS 166           HA       LYS 166 -20.198   4.737  -5.479
  290    HB2  LYS 166           HB2      LYS 166 -19.360   5.470  -8.289
  291    HB3  LYS 166           HB1      LYS 166 -21.005   5.575  -7.681
  292    HG2  LYS 166           HG2      LYS 166 -18.651   7.095  -6.577
  293    HG3  LYS 166           HG1      LYS 166 -19.864   7.743  -7.683
  294    HD2  LYS 166           HD2      LYS 166 -21.607   7.328  -6.024
  295    HD3  LYS 166           HD1      LYS 166 -20.405   6.659  -4.918
  296    HE2  LYS 166           HE2      LYS 166 -20.967   8.975  -4.355
  297    HE3  LYS 166           HE1      LYS 166 -19.274   8.814  -4.822
  298    HZ1  LYS 166           HZ1      LYS 166 -20.439  10.768  -5.792
  299    HZ2  LYS 166           HZ2      LYS 166 -21.416   9.698  -6.678
  300    HZ3  LYS 166           HZ3      LYS 166 -19.742   9.738  -6.945
  301    H    LEU 167           H        LEU 167 -19.493   2.280  -5.247
  302    HA   LEU 167           HA       LEU 167 -20.202   0.719  -7.602
  303    HB2  LEU 167           HB2      LEU 167 -19.406  -0.159  -4.823
  304    HB3  LEU 167           HB1      LEU 167 -19.654  -1.228  -6.191
  305    HG   LEU 167           HG       LEU 167 -17.503   0.880  -5.970
  306   HD11  LEU 167          1HD1      LEU 167 -17.132  -1.057  -4.521
  307   HD12  LEU 167          2HD1      LEU 167 -15.975  -1.011  -5.851
  308   HD13  LEU 167          3HD1      LEU 167 -17.337  -2.130  -5.906
  309   HD21  LEU 167          3HD2      LEU 167 -16.649  -0.044  -8.053
  310   HD22  LEU 167          1HD2      LEU 167 -18.285   0.575  -8.273
  311   HD23  LEU 167          2HD2      LEU 167 -18.012  -1.162  -8.131
  312    HA   PRO 168           HA       PRO 168 -24.509   0.583  -6.421
  313    HB2  PRO 168           HB2      PRO 168 -24.510  -1.732  -8.272
  314    HB3  PRO 168           HB1      PRO 168 -25.508  -0.274  -8.294
  315    HG2  PRO 168           HG2      PRO 168 -23.547  -0.626 -10.069
  316    HG3  PRO 168           HG1      PRO 168 -23.893   0.975  -9.386
  317    HD2  PRO 168           HD2      PRO 168 -21.704  -0.950  -8.704
  318    HD3  PRO 168           HD1      PRO 168 -21.644   0.820  -8.841
  319    H    THR 169           H        THR 169 -25.367  -0.416  -4.704
  320    HA   THR 169           HA       THR 169 -24.580  -3.179  -4.120
  321    HB   THR 169           HB       THR 169 -24.451  -2.327  -1.639
  322    HG1  THR 169           HG1      THR 169 -24.591  -0.030  -3.029
  323   HG21  THR 169          3HG2      THR 169 -22.187  -1.862  -3.582
  324   HG22  THR 169          1HG2      THR 169 -22.639  -3.422  -2.892
  325   HG23  THR 169          2HG2      THR 169 -22.041  -2.138  -1.844
  326    H    ARG 170           H        ARG 170 -25.906  -4.240  -2.554
  327    HA   ARG 170           HA       ARG 170 -28.651  -3.230  -2.512
  328    HB2  ARG 170           HB2      ARG 170 -29.268  -5.505  -1.857
  329    HB3  ARG 170           HB1      ARG 170 -28.273  -5.531  -3.305
  330    HG2  ARG 170           HG2      ARG 170 -26.312  -6.070  -1.884
  331    HG3  ARG 170           HG1      ARG 170 -27.401  -6.182  -0.500
  332    HD2  ARG 170           HD2      ARG 170 -27.006  -8.389  -1.349
  333    HD3  ARG 170           HD1      ARG 170 -28.671  -7.934  -1.704
  334    HE   ARG 170           HE       ARG 170 -26.735  -7.453  -3.819
  335   HH11  ARG 170          1HH1      ARG 170 -29.209  -9.557  -2.497
  336   HH12  ARG 170          2HH1      ARG 170 -29.429 -10.429  -3.984
  337   HH21  ARG 170          1HH2      ARG 170 -27.028  -8.597  -5.766
  338   HH22  ARG 170          2HH2      ARG 170 -28.192  -9.888  -5.840
  339    HA   PRO 171           HA       PRO 171 -28.453  -2.022   1.735
  340    HB2  PRO 171           HB2      PRO 171 -31.202  -2.998   2.092
  341    HB3  PRO 171           HB1      PRO 171 -30.580  -1.350   2.188
  342    HG2  PRO 171           HG2      PRO 171 -32.128  -2.164   0.148
  343    HG3  PRO 171           HG1      PRO 171 -30.823  -0.983  -0.076
  344    HD2  PRO 171           HD2      PRO 171 -30.863  -3.909  -0.716
  345    HD3  PRO 171           HD1      PRO 171 -30.186  -2.559  -1.651
  346    H    GLY 172           H        GLY 172 -28.012  -2.885   3.714
  347    HA2  GLY 172           HA2      GLY 172 -28.141  -4.443   5.467
  348    HA3  GLY 172           HA1      GLY 172 -28.972  -5.556   4.391
  349    H    LEU 173           H        LEU 173 -25.857  -3.880   4.110
  350    HA   LEU 173           HA       LEU 173 -24.638  -6.333   3.175
  351    HB2  LEU 173           HB2      LEU 173 -23.605  -3.523   3.453
  352    HB3  LEU 173           HB1      LEU 173 -22.635  -4.860   2.861
  353    HG   LEU 173           HG       LEU 173 -25.196  -3.917   1.574
  354   HD11  LEU 173          1HD1      LEU 173 -23.728  -3.002  -0.169
  355   HD12  LEU 173          2HD1      LEU 173 -22.328  -3.392   0.830
  356   HD13  LEU 173          3HD1      LEU 173 -23.507  -2.206   1.390
  357   HD21  LEU 173          3HD2      LEU 173 -23.073  -5.836   0.620
  358   HD22  LEU 173          1HD2      LEU 173 -24.510  -5.339  -0.277
  359   HD23  LEU 173          2HD2      LEU 173 -24.675  -6.283   1.203
  360    H    ASN 174           H        ASN 174 -22.931  -7.383   4.094
  361    HA   ASN 174           HA       ASN 174 -22.479  -6.880   6.956
  362    HB2  ASN 174           HB2      ASN 174 -23.463  -9.051   6.561
  363    HB3  ASN 174           HB1      ASN 174 -22.302  -9.403   5.289
  364   HD21  ASN 174          1HD2      ASN 174 -22.846  -9.262   8.716
  365   HD22  ASN 174          2HD2      ASN 174 -21.388 -10.079   9.170
  366    H    LYS 175           H        LYS 175 -20.275  -7.284   7.754
  367    HA   LYS 175           HA       LYS 175 -18.261  -5.904   6.489
  368    HB2  LYS 175           HB2      LYS 175 -18.115  -6.447   8.823
  369    HB3  LYS 175           HB1      LYS 175 -18.109  -8.169   8.485
  370    HG2  LYS 175           HG2      LYS 175 -15.903  -7.378   9.128
  371    HG3  LYS 175           HG1      LYS 175 -15.906  -7.987   7.473
  372    HD2  LYS 175           HD2      LYS 175 -15.998  -5.705   6.622
  373    HD3  LYS 175           HD1      LYS 175 -16.041  -5.073   8.274
  374    HE2  LYS 175           HE2      LYS 175 -13.806  -6.761   7.153
  375    HE3  LYS 175           HE1      LYS 175 -13.794  -4.999   7.160
  376    HZ1  LYS 175           HZ1      LYS 175 -12.569  -5.956   9.023
  377    HZ2  LYS 175           HZ2      LYS 175 -13.976  -6.714   9.584
  378    HZ3  LYS 175           HZ3      LYS 175 -13.878  -5.022   9.557
  379    H    ALA 176           H        ALA 176 -18.787  -9.434   6.442
  380    HA   ALA 176           HA       ALA 176 -16.558 -10.041   4.807
  381    HB1  ALA 176           HB1      ALA 176 -17.667 -11.694   6.228
  382    HB2  ALA 176           HB2      ALA 176 -17.590 -12.230   4.549
  383    HB3  ALA 176           HB3      ALA 176 -19.103 -11.607   5.208
  384    H    GLN 177           H        GLN 177 -19.951  -9.378   4.103
  385    HA   GLN 177           HA       GLN 177 -19.955  -9.976   1.359
  386    HB2  GLN 177           HB2      GLN 177 -21.578  -7.950   2.917
  387    HB3  GLN 177           HB1      GLN 177 -21.915  -8.425   1.257
  388    HG2  GLN 177           HG2      GLN 177 -21.865 -10.352   3.564
  389    HG3  GLN 177           HG1      GLN 177 -23.322  -9.542   2.991
  390   HE21  GLN 177          1HE2      GLN 177 -20.890 -11.925   2.260
  391   HE22  GLN 177          2HE2      GLN 177 -21.732 -12.668   0.946
  392    H    LEU 178           H        LEU 178 -19.153  -7.049   3.137
  393    HA   LEU 178           HA       LEU 178 -18.711  -5.328   0.976
  394    HB2  LEU 178           HB2      LEU 178 -17.226  -5.429   3.606
  395    HB3  LEU 178           HB1      LEU 178 -17.252  -4.074   2.490
  396    HG   LEU 178           HG       LEU 178 -19.666  -5.137   3.956
  397   HD11  LEU 178          1HD1      LEU 178 -19.507  -3.090   5.264
  398   HD12  LEU 178          2HD1      LEU 178 -18.016  -2.663   4.424
  399   HD13  LEU 178          3HD1      LEU 178 -18.067  -4.090   5.460
  400   HD21  LEU 178          3HD2      LEU 178 -20.211  -4.129   1.804
  401   HD22  LEU 178          1HD2      LEU 178 -19.293  -2.688   2.241
  402   HD23  LEU 178          2HD2      LEU 178 -20.753  -3.109   3.137
  403    H    VAL 179           H        VAL 179 -16.423  -7.366   2.776
  404    HA   VAL 179           HA       VAL 179 -14.143  -6.700   1.324
  405    HB   VAL 179           HB       VAL 179 -14.654  -9.399   2.586
  406   HG11  VAL 179          1HG1      VAL 179 -12.120  -7.845   2.129
  407   HG12  VAL 179          2HG1      VAL 179 -12.657  -9.229   1.174
  408   HG13  VAL 179          3HG1      VAL 179 -12.245  -9.438   2.877
  409   HG21  VAL 179          3HG2      VAL 179 -13.670  -8.457   4.618
  410   HG22  VAL 179          1HG2      VAL 179 -15.169  -7.634   4.188
  411   HG23  VAL 179          2HG2      VAL 179 -13.614  -6.869   3.853
  412    H    GLU 180           H        GLU 180 -16.525  -9.269   0.735
  413    HA   GLU 180           HA       GLU 180 -15.203 -10.525  -1.390
  414    HB2  GLU 180           HB2      GLU 180 -18.151 -10.229  -0.811
  415    HB3  GLU 180           HB1      GLU 180 -17.513 -11.241  -2.100
  416    HG2  GLU 180           HG2      GLU 180 -16.207 -12.479  -0.361
  417    HG3  GLU 180           HG1      GLU 180 -17.087 -11.559   0.858
  418    H    ILE 181           H        ILE 181 -17.651  -7.929  -1.470
  419    HA   ILE 181           HA       ILE 181 -17.556  -7.583  -4.275
  420    HB   ILE 181           HB       ILE 181 -18.373  -5.574  -2.166
  421   HG12  ILE 181          2HG1      ILE 181 -20.046  -7.499  -3.797
  422   HG13  ILE 181          1HG1      ILE 181 -19.636  -7.706  -2.098
  423   HG21  ILE 181          1HG2      ILE 181 -19.623  -4.486  -3.967
  424   HG22  ILE 181          2HG2      ILE 181 -18.979  -5.650  -5.123
  425   HG23  ILE 181          3HG2      ILE 181 -17.895  -4.514  -4.320
  426   HD11  ILE 181          3HD1      ILE 181 -20.863  -5.666  -1.558
  427   HD12  ILE 181          1HD1      ILE 181 -21.887  -6.861  -2.355
  428   HD13  ILE 181          2HD1      ILE 181 -21.280  -5.475  -3.261
  429    H    VAL 182           H        VAL 182 -15.866  -5.970  -1.612
  430    HA   VAL 182           HA       VAL 182 -14.530  -4.016  -3.102
  431    HB   VAL 182           HB       VAL 182 -13.660  -5.427  -0.570
  432   HG11  VAL 182          1HG1      VAL 182 -12.500  -2.962  -1.871
  433   HG12  VAL 182          2HG1      VAL 182 -11.696  -4.519  -1.667
  434   HG13  VAL 182          3HG1      VAL 182 -12.101  -3.545  -0.253
  435   HG21  VAL 182          3HG2      VAL 182 -14.919  -2.725  -1.034
  436   HG22  VAL 182          1HG2      VAL 182 -14.380  -3.354   0.523
  437   HG23  VAL 182          2HG2      VAL 182 -15.707  -4.138  -0.332
  438    H    GLY 183           H        GLY 183 -13.503  -7.310  -2.212
  439    HA2  GLY 183           HA2      GLY 183 -10.978  -7.197  -3.454
  440    HA3  GLY 183           HA1      GLY 183 -11.855  -8.664  -3.046
  441    H    CYS 184           H        CYS 184 -14.138  -8.158  -4.661
  442    HA   CYS 184           HA       CYS 184 -13.345  -9.284  -7.092
  443    HB2  CYS 184           HB2      CYS 184 -15.635  -9.433  -6.161
  444    HB3  CYS 184           HB1      CYS 184 -15.871  -7.724  -6.503
  445    HG   CYS 184           HG       CYS 184 -15.623 -10.298  -8.725
  446    H    HIS 185           H        HIS 185 -14.162  -5.920  -6.274
  447    HA   HIS 185           HA       HIS 185 -13.514  -5.019  -8.955
  448    HB2  HIS 185           HB2      HIS 185 -15.331  -3.999  -7.527
  449    HB3  HIS 185           HB1      HIS 185 -14.062  -3.319  -6.516
  450    HD1  HIS 185           HD1      HIS 185 -12.818  -1.272  -7.391
  451    HD2  HIS 185           HD2      HIS 185 -15.574  -2.825 -10.091
  452    HE1  HIS 185           HE1      HIS 185 -13.054   0.470  -9.194
  453    HE2  HIS 185           HE2      HIS 185 -14.890  -0.399 -10.694
  454    H    PHE 186           H        PHE 186 -11.916  -5.407  -5.938
  455    HA   PHE 186           HA       PHE 186  -9.875  -3.488  -6.166
  456    HB2  PHE 186           HB2      PHE 186 -10.623  -4.916  -4.144
  457    HB3  PHE 186           HB1      PHE 186  -9.545  -6.145  -4.795
  458    HD1  PHE 186           HD2      PHE 186  -9.676  -2.663  -3.580
  459    HD2  PHE 186           HD1      PHE 186  -7.247  -6.062  -4.369
  460    HE1  PHE 186           HE2      PHE 186  -7.801  -1.583  -2.429
  461    HE2  PHE 186           HE1      PHE 186  -5.361  -4.983  -3.216
  462    HZ   PHE 186           HZ       PHE 186  -5.635  -2.737  -2.244
  463    H    LYS 187           H        LYS 187 -10.098  -6.865  -7.193
  464    HA   LYS 187           HA       LYS 187  -7.402  -7.012  -8.117
  465    HB2  LYS 187           HB2      LYS 187  -9.819  -8.739  -8.642
  466    HB3  LYS 187           HB1      LYS 187  -8.231  -9.087  -9.312
  467    HG2  LYS 187           HG2      LYS 187  -7.307  -9.313  -7.087
  468    HG3  LYS 187           HG1      LYS 187  -8.860  -8.871  -6.378
  469    HD2  LYS 187           HD2      LYS 187  -8.576 -11.272  -6.301
  470    HD3  LYS 187           HD1      LYS 187  -9.878 -10.857  -7.415
  471    HE2  LYS 187           HE2      LYS 187  -8.526 -12.594  -8.394
  472    HE3  LYS 187           HE1      LYS 187  -8.300 -11.101  -9.302
  473    HZ1  LYS 187           HZ1      LYS 187  -6.170 -10.800  -8.414
  474    HZ2  LYS 187           HZ2      LYS 187  -6.245 -12.463  -8.732
  475    HZ3  LYS 187           HZ3      LYS 187  -6.435 -11.901  -7.147
  476    H    SER 188           H        SER 188 -10.083  -5.421  -9.360
  477    HA   SER 188           HA       SER 188  -9.028  -5.604 -12.096
  478    HB2  SER 188           HB2      SER 188 -11.442  -4.891 -12.711
  479    HB3  SER 188           HB1      SER 188 -11.155  -6.559 -12.214
  480    HG   SER 188           HG       SER 188 -12.302  -6.241 -10.466
  481    H    ILE 189           H        ILE 189  -8.386  -3.676  -9.826
  482    HA   ILE 189           HA       ILE 189  -9.356  -1.133 -10.722
  483    HB   ILE 189           HB       ILE 189  -7.077  -1.868  -8.876
  484   HG12  ILE 189          2HG1      ILE 189  -9.820  -0.718  -8.304
  485   HG13  ILE 189          1HG1      ILE 189  -9.344  -2.394  -8.049
  486   HG21  ILE 189          1HG2      ILE 189  -6.613   0.276  -9.932
  487   HG22  ILE 189          2HG2      ILE 189  -7.000   0.483  -8.225
  488   HG23  ILE 189          3HG2      ILE 189  -8.205   0.872  -9.453
  489   HD11  ILE 189          3HD1      ILE 189  -9.344  -1.134  -5.972
  490   HD12  ILE 189          1HD1      ILE 189  -8.167  -0.006  -6.644
  491   HD13  ILE 189          2HD1      ILE 189  -7.722  -1.691  -6.380
  492    HA   PRO 190           HA       PRO 190  -6.372  -0.694 -14.060
  493    HB2  PRO 190           HB2      PRO 190  -7.390   2.045 -14.194
  494    HB3  PRO 190           HB1      PRO 190  -7.479   0.766 -15.407
  495    HG2  PRO 190           HG2      PRO 190  -9.652   1.648 -14.069
  496    HG3  PRO 190           HG1      PRO 190  -9.481  -0.033 -14.608
  497    HD2  PRO 190           HD2      PRO 190  -9.068   1.136 -11.883
  498    HD3  PRO 190           HD1      PRO 190  -9.837  -0.397 -12.348
  499    H    VAL 191           H        VAL 191  -4.274  -0.151 -13.763
  500    HA   VAL 191           HA       VAL 191  -3.616   2.226 -12.217
  501    HB   VAL 191           HB       VAL 191  -3.861   0.176 -10.682
  502   HG11  VAL 191          1HG1      VAL 191  -1.212  -0.510 -11.934
  503   HG12  VAL 191          2HG1      VAL 191  -2.704  -1.440 -12.063
  504   HG13  VAL 191          3HG1      VAL 191  -1.905  -1.268 -10.500
  505   HG21  VAL 191          3HG2      VAL 191  -2.829   2.259  -9.981
  506   HG22  VAL 191          1HG2      VAL 191  -1.285   1.733 -10.651
  507   HG23  VAL 191          2HG2      VAL 191  -1.996   0.870  -9.285
  508    H    ASN 192           H        ASN 192  -1.404   2.889 -12.447
  509    HA   ASN 192           HA       ASN 192   0.166   1.516 -14.520
  510    HB2  ASN 192           HB2      ASN 192  -0.878   3.279 -15.751
  511    HB3  ASN 192           HB1      ASN 192  -0.584   4.444 -14.465
  512   HD21  ASN 192          1HD2      ASN 192   0.794   2.721 -17.150
  513   HD22  ASN 192          2HD2      ASN 192   2.275   3.619 -17.229
  514    H    GLU 193           H        GLU 193   2.297   1.395 -14.072
  515    HA   GLU 193           HA       GLU 193   3.255   1.704 -11.514
  516    HB2  GLU 193           HB2      GLU 193   4.385   0.301 -13.110
  517    HB3  GLU 193           HB1      GLU 193   4.774   1.685 -14.121
  518    HG2  GLU 193           HG2      GLU 193   6.174   2.574 -12.280
  519    HG3  GLU 193           HG1      GLU 193   5.864   1.090 -11.382
  520    H    LYS 194           H        LYS 194   4.189   3.833 -14.232
  521    HA   LYS 194           HA       LYS 194   5.840   5.492 -12.754
  522    HB2  LYS 194           HB2      LYS 194   5.516   5.212 -15.299
  523    HB3  LYS 194           HB1      LYS 194   4.302   6.467 -15.134
  524    HG2  LYS 194           HG2      LYS 194   7.174   6.776 -14.291
  525    HG3  LYS 194           HG1      LYS 194   6.545   7.264 -15.863
  526    HD2  LYS 194           HD2      LYS 194   4.938   8.755 -14.678
  527    HD3  LYS 194           HD1      LYS 194   5.747   8.344 -13.163
  528    HE2  LYS 194           HE2      LYS 194   7.024   9.647 -15.561
  529    HE3  LYS 194           HE1      LYS 194   6.554  10.463 -14.073
  530    HZ1  LYS 194           HZ1      LYS 194   8.595   8.309 -14.292
  531    HZ2  LYS 194           HZ2      LYS 194   8.158   9.118 -12.864
  532    HZ3  LYS 194           HZ3      LYS 194   8.919   9.964 -14.120
  533    H    ASP 195           H        ASP 195   2.461   6.093 -13.741
  534    HA   ASP 195           HA       ASP 195   2.253   8.614 -12.513
  535    HB2  ASP 195           HB2      ASP 195   0.233   6.613 -13.459
  536    HB3  ASP 195           HB1      ASP 195  -0.291   8.031 -12.556
  537    H    THR 196           H        THR 196   1.472   5.389 -11.318
  538    HA   THR 196           HA       THR 196   0.139   6.302  -8.987
  539    HB   THR 196           HB       THR 196   1.392   3.593  -9.468
  540    HG1  THR 196           HG1      THR 196  -0.076   3.895 -11.079
  541   HG21  THR 196          3HG2      THR 196  -0.290   2.815  -7.860
  542   HG22  THR 196          1HG2      THR 196  -0.819   4.480  -7.612
  543   HG23  THR 196          2HG2      THR 196   0.804   3.990  -7.130
  544    H    LEU 197           H        LEU 197   3.447   5.124  -9.584
  545    HA   LEU 197           HA       LEU 197   4.371   5.310  -6.946
  546    HB2  LEU 197           HB2      LEU 197   5.841   5.734  -9.547
  547    HB3  LEU 197           HB1      LEU 197   6.630   5.643  -7.983
  548    HG   LEU 197           HG       LEU 197   5.069   3.429  -9.321
  549   HD11  LEU 197          1HD1      LEU 197   7.243   3.824 -10.342
  550   HD12  LEU 197          2HD1      LEU 197   7.243   2.312  -9.435
  551   HD13  LEU 197          3HD1      LEU 197   8.015   3.746  -8.758
  552   HD21  LEU 197          3HD2      LEU 197   6.563   3.432  -6.699
  553   HD22  LEU 197          1HD2      LEU 197   5.794   2.036  -7.459
  554   HD23  LEU 197          2HD2      LEU 197   4.809   3.383  -6.886
  555    H    THR 198           H        THR 198   4.424   7.695  -9.572
  556    HA   THR 198           HA       THR 198   5.661   9.777  -8.188
  557    HB   THR 198           HB       THR 198   3.537  10.075 -10.321
  558    HG1  THR 198           HG1      THR 198   5.019   8.797 -11.280
  559   HG21  THR 198          3HG2      THR 198   4.781  12.122 -10.895
  560   HG22  THR 198          1HG2      THR 198   5.853  11.846  -9.522
  561   HG23  THR 198          2HG2      THR 198   4.141  12.180  -9.253
  562    H    CYS 199           H        CYS 199   2.215   8.999  -8.536
  563    HA   CYS 199           HA       CYS 199   1.183  11.213  -7.167
  564    HB2  CYS 199           HB2      CYS 199  -0.050   9.453  -8.582
  565    HB3  CYS 199           HB1      CYS 199  -0.074   8.472  -7.116
  566    HG   CYS 199           HG       CYS 199  -1.210  11.157  -5.972
  567    H    PHE 200           H        PHE 200   1.978   7.956  -5.995
  568    HA   PHE 200           HA       PHE 200   1.097   8.329  -3.353
  569    HB2  PHE 200           HB2      PHE 200   1.447   6.109  -4.239
  570    HB3  PHE 200           HB1      PHE 200   3.158   6.439  -4.508
  571    HD1  PHE 200           HD2      PHE 200   0.678   6.477  -1.716
  572    HD2  PHE 200           HD1      PHE 200   4.644   5.608  -2.986
  573    HE1  PHE 200           HE2      PHE 200   1.195   5.585   0.518
  574    HE2  PHE 200           HE1      PHE 200   5.169   4.713  -0.758
  575    HZ   PHE 200           HZ       PHE 200   3.444   4.700   0.998
  576    H    ILE 201           H        ILE 201   4.395   8.451  -4.692
  577    HA   ILE 201           HA       ILE 201   5.716   9.059  -2.310
  578    HB   ILE 201           HB       ILE 201   6.486   9.855  -5.125
  579   HG12  ILE 201          2HG1      ILE 201   7.394   7.453  -3.530
  580   HG13  ILE 201          1HG1      ILE 201   6.064   7.398  -4.682
  581   HG21  ILE 201          1HG2      ILE 201   8.782   9.930  -4.264
  582   HG22  ILE 201          2HG2      ILE 201   8.177   9.614  -2.638
  583   HG23  ILE 201          3HG2      ILE 201   7.745  11.112  -3.464
  584   HD11  ILE 201          3HD1      ILE 201   8.113   6.568  -5.670
  585   HD12  ILE 201          1HD1      ILE 201   8.923   8.094  -5.312
  586   HD13  ILE 201          2HD1      ILE 201   7.593   8.051  -6.469
  587    H    TYR 202           H        TYR 202   4.388  11.178  -4.804
  588    HA   TYR 202           HA       TYR 202   5.361  13.610  -3.793
  589    HB2  TYR 202           HB2      TYR 202   4.368  13.086  -6.098
  590    HB3  TYR 202           HB1      TYR 202   2.796  13.305  -5.340
  591    HD1  TYR 202           HD1      TYR 202   6.023  15.020  -5.982
  592    HD2  TYR 202           HD2      TYR 202   1.880  15.460  -5.118
  593    HE1  TYR 202           HE1      TYR 202   6.204  17.437  -6.379
  594    HE2  TYR 202           HE2      TYR 202   2.051  17.884  -5.512
  595    HH   TYR 202           HH       TYR 202   4.747  19.304  -7.011
  596    H    SER 203           H        SER 203   2.354  11.846  -3.189
  597    HA   SER 203           HA       SER 203   1.120  13.941  -1.711
  598    HB2  SER 203           HB2      SER 203   0.491  10.978  -1.598
  599    HB3  SER 203           HB1      SER 203  -0.569  12.307  -1.128
  600    HG   SER 203           HG       SER 203   0.283  11.558  -3.721
  601    H    VAL 204           H        VAL 204   2.683  10.889  -0.690
  602    HA   VAL 204           HA       VAL 204   2.203  11.256   2.054
  603    HB   VAL 204           HB       VAL 204   4.437   9.650   0.800
  604   HG11  VAL 204          1HG1      VAL 204   3.104   9.439   3.498
  605   HG12  VAL 204          2HG1      VAL 204   4.757   9.968   3.188
  606   HG13  VAL 204          3HG1      VAL 204   4.287   8.299   2.853
  607   HG21  VAL 204          3HG2      VAL 204   2.288   9.017  -0.136
  608   HG22  VAL 204          1HG2      VAL 204   1.611   8.858   1.485
  609   HG23  VAL 204          2HG2      VAL 204   2.880   7.758   0.948
  610    H    ARG 205           H        ARG 205   4.906  12.277   0.017
  611    HA   ARG 205           HA       ARG 205   6.526  13.145   2.206
  612    HB2  ARG 205           HB2      ARG 205   6.622  13.688  -0.752
  613    HB3  ARG 205           HB1      ARG 205   7.752  14.431   0.371
  614    HG2  ARG 205           HG2      ARG 205   8.537  12.239   1.059
  615    HG3  ARG 205           HG1      ARG 205   7.370  11.470  -0.016
  616    HD2  ARG 205           HD2      ARG 205   9.602  11.530  -1.008
  617    HD3  ARG 205           HD1      ARG 205   8.451  12.482  -1.945
  618    HE   ARG 205           HE       ARG 205  10.208  13.818  -0.002
  619   HH11  ARG 205          1HH1      ARG 205   9.231  13.252  -3.305
  620   HH12  ARG 205          2HH1      ARG 205  10.090  14.616  -3.946
  621   HH21  ARG 205          1HH2      ARG 205  11.350  15.639  -0.819
  622   HH22  ARG 205          2HH2      ARG 205  11.284  15.993  -2.526
  623    H    ASN 206           H        ASN 206   3.797  14.494   0.650
  624    HA   ASN 206           HA       ASN 206   4.485  17.208   1.472
  625    HB2  ASN 206           HB2      ASN 206   2.506  16.025  -0.373
  626    HB3  ASN 206           HB1      ASN 206   1.946  17.429   0.532
  627   HD21  ASN 206          1HD2      ASN 206   4.101  16.267  -1.908
  628   HD22  ASN 206          2HD2      ASN 206   4.647  17.822  -2.449
  629    H    ASP 207           H        ASP 207   1.936  14.803   2.063
  630    HA   ASP 207           HA       ASP 207   1.753  15.455   4.803
  631    HB2  ASP 207           HB2      ASP 207  -0.446  16.448   4.892
  632    HB3  ASP 207           HB1      ASP 207   0.563  17.443   3.850
  633    H    LYS 208           H        LYS 208   0.114  14.198   5.853
  634    HA   LYS 208           HA       LYS 208  -0.307  11.689   4.472
  635    HB2  LYS 208           HB2      LYS 208  -0.542  12.567   7.338
  636    HB3  LYS 208           HB1      LYS 208  -1.240  11.043   6.811
  637    HG2  LYS 208           HG2      LYS 208   1.008  10.791   7.799
  638    HG3  LYS 208           HG1      LYS 208   0.923  10.222   6.133
  639    HD2  LYS 208           HD2      LYS 208   1.895  12.391   5.399
  640    HD3  LYS 208           HD1      LYS 208   2.072  12.847   7.092
  641    HE2  LYS 208           HE2      LYS 208   3.630  11.076   7.477
  642    HE3  LYS 208           HE1      LYS 208   3.315  10.384   5.885
  643    HZ1  LYS 208           HZ1      LYS 208   5.415  11.681   6.040
  644    HZ2  LYS 208           HZ2      LYS 208   4.495  13.082   6.308
  645    HZ3  LYS 208           HZ3      LYS 208   4.356  12.246   4.842
  646    H    ASN 209           H        ASN 209  -2.230  10.843   3.927
  647    HA   ASN 209           HA       ASN 209  -4.195  12.513   2.985
  648    HB2  ASN 209           HB2      ASN 209  -5.485  10.561   2.468
  649    HB3  ASN 209           HB1      ASN 209  -3.786  10.160   2.256
  650   HD21  ASN 209          1HD2      ASN 209  -3.333   9.925   5.155
  651   HD22  ASN 209          2HD2      ASN 209  -4.058   8.433   5.622
  652    H    LYS 210           H        LYS 210  -6.491  12.578   3.435
  653    HA   LYS 210           HA       LYS 210  -7.193  12.273   6.273
  654    HB2  LYS 210           HB2      LYS 210  -7.976  14.566   4.451
  655    HB3  LYS 210           HB1      LYS 210  -8.644  14.291   6.051
  656    HG2  LYS 210           HG2      LYS 210  -7.075  15.861   6.536
  657    HG3  LYS 210           HG1      LYS 210  -6.115  14.400   6.765
  658    HD2  LYS 210           HD2      LYS 210  -5.183  14.634   4.531
  659    HD3  LYS 210           HD1      LYS 210  -6.197  16.052   4.239
  660    HE2  LYS 210           HE2      LYS 210  -5.076  17.179   6.142
  661    HE3  LYS 210           HE1      LYS 210  -4.006  15.788   6.293
  662    HZ1  LYS 210           HZ1      LYS 210  -3.191  16.208   4.054
  663    HZ2  LYS 210           HZ2      LYS 210  -2.977  17.575   5.037
  664    HZ3  LYS 210           HZ3      LYS 210  -4.236  17.539   3.903
  665    H    SER 211           H        SER 211  -9.870  13.015   6.008
  666    HA   SER 211           HA       SER 211 -11.933  12.388   5.308
  667    HB2  SER 211           HB2      SER 211 -10.560  11.227   2.875
  668    HB3  SER 211           HB1      SER 211 -12.279  11.580   3.042
  669    HG   SER 211           HG       SER 211 -10.171  13.253   2.480
  670    H    ASP 212           H        ASP 212  -9.728  10.533   6.499
  671    HA   ASP 212           HA       ASP 212 -11.049   7.956   6.101
  672    HB2  ASP 212           HB2      ASP 212  -9.107   7.014   7.268
  673    HB3  ASP 212           HB1      ASP 212  -8.588   8.034   5.931
  674    H    LEU 213           H        LEU 213 -10.045  10.151   8.686
  675    HA   LEU 213           HA       LEU 213 -12.300   9.206  10.301
  676    HB2  LEU 213           HB2      LEU 213 -10.297   8.007  11.078
  677    HB3  LEU 213           HB1      LEU 213  -9.466   9.535  11.297
  678    HG   LEU 213           HG       LEU 213 -11.165  10.147  13.025
  679   HD11  LEU 213          1HD1      LEU 213 -12.962   8.663  12.261
  680   HD12  LEU 213          2HD1      LEU 213 -12.570   8.391  13.958
  681   HD13  LEU 213          3HD1      LEU 213 -11.998   7.263  12.730
  682   HD21  LEU 213          3HD2      LEU 213 -10.236   8.699  14.756
  683   HD22  LEU 213          1HD2      LEU 213  -8.982   9.241  13.642
  684   HD23  LEU 213          2HD2      LEU 213  -9.621   7.602  13.521
  685    H    LYS 214           H        LYS 214 -13.328  10.814  11.380
  686    HA   LYS 214           HA       LYS 214 -12.211  13.510  11.064
  687    HB2  LYS 214           HB2      LYS 214 -15.074  12.571  11.233
  688    HB3  LYS 214           HB1      LYS 214 -14.613  14.262  11.366
  689    HG2  LYS 214           HG2      LYS 214 -15.221  14.031   9.143
  690    HG3  LYS 214           HG1      LYS 214 -13.462  13.920   9.096
  691    HD2  LYS 214           HD2      LYS 214 -13.691  11.435   9.100
  692    HD3  LYS 214           HD1      LYS 214 -15.438  11.645   8.967
  693    HE2  LYS 214           HE2      LYS 214 -13.338  12.526   6.992
  694    HE3  LYS 214           HE1      LYS 214 -14.533  11.249   6.775
  695    HZ1  LYS 214           HZ1      LYS 214 -15.068  14.164   7.007
  696    HZ2  LYS 214           HZ2      LYS 214 -16.278  12.974   6.949
  697    HZ3  LYS 214           HZ3      LYS 214 -15.247  13.205   5.618
  698    H    ALA 215           H        ALA 215 -12.068  14.858  12.766
  699    HA   ALA 215           HA       ALA 215 -12.664  13.701  15.410
  700    HB1  ALA 215           HB1      ALA 215 -10.795  14.962  16.287
  701    HB2  ALA 215           HB2      ALA 215 -10.530  15.723  14.720
  702    HB3  ALA 215           HB3      ALA 215 -10.258  13.992  14.917
  703    H    ASP 216           H        ASP 216 -12.400  15.911  16.996
  704    HA   ASP 216           HA       ASP 216 -13.466  17.739  17.803
  705    HB2  ASP 216           HB2      ASP 216 -13.781  18.374  14.865
  706    HB3  ASP 216           HB1      ASP 216 -14.245  19.476  16.157
  707    H    SER 217           H        SER 217 -14.885  15.242  17.289
  708    HA   SER 217           HA       SER 217 -17.632  16.300  17.085
  709    HB2  SER 217           HB2      SER 217 -16.695  13.538  16.273
  710    HB3  SER 217           HB1      SER 217 -18.310  14.212  16.053
  711    HG   SER 217           HG       SER 217 -15.988  15.382  14.922
  712    H    GLY 218           H        GLY 218 -15.620  15.610  19.348
  713    HA2  GLY 218           HA2      GLY 218 -16.316  15.191  21.594
  714    HA3  GLY 218           HA1      GLY 218 -17.580  14.139  20.977
  715    H    VAL 219           H        VAL 219 -14.274  14.379  21.952
  716    HA   VAL 219           HA       VAL 219 -14.052  11.464  21.860
  717    HB   VAL 219           HB       VAL 219 -13.016  12.265  19.771
  718   HG11  VAL 219          1HG1      VAL 219 -10.977  13.603  19.816
  719   HG12  VAL 219          2HG1      VAL 219 -11.126  13.783  21.564
  720   HG13  VAL 219          3HG1      VAL 219 -12.343  14.487  20.498
  721   HG21  VAL 219          3HG2      VAL 219 -10.837  11.164  20.032
  722   HG22  VAL 219          1HG2      VAL 219 -12.140  10.251  20.794
  723   HG23  VAL 219          2HG2      VAL 219 -11.035  11.205  21.784
  724    H    HIS 220           H        HIS 220 -12.766  10.597  23.470
  725    HA   HIS 220           HA       HIS 220 -11.044  12.239  25.063
  726    HB2  HIS 220           HB2      HIS 220 -12.198  12.025  27.185
  727    HB3  HIS 220           HB1      HIS 220 -13.244  12.835  26.030
  728    HD1  HIS 220           HD1      HIS 220 -13.232  10.181  28.459
  729    HD2  HIS 220           HD2      HIS 220 -15.258  10.943  24.909
  730    HE1  HIS 220           HE1      HIS 220 -15.249   8.684  28.496
  731    HE2  HIS 220           HE2      HIS 220 -16.393   9.063  26.286
  732    H1   SER 454           HT1      SER 454  27.584   5.462  -6.099
  733    H2   SER 454           HT2      SER 454  25.994   5.214  -6.636
  734    H3   SER 454           HT3      SER 454  26.585   4.348  -5.303
  735    HA   SER 454           HA       SER 454  26.141   7.264  -5.432
  736    HB2  SER 454           HB2      SER 454  24.510   6.464  -3.493
  737    HB3  SER 454           HB1      SER 454  24.010   6.428  -5.185
  738    HG   SER 454           HG       SER 454  24.655   4.319  -3.460
  739    H    ASN 455           H        ASN 455  27.971   8.029  -4.524
  740    HA   ASN 455           HA       ASN 455  28.883   6.800  -2.011
  741    HB2  ASN 455           HB2      ASN 455  30.589   6.976  -3.771
  742    HB3  ASN 455           HB1      ASN 455  30.316   8.713  -3.872
  743   HD21  ASN 455          1HD2      ASN 455  32.442   9.185  -3.359
  744   HD22  ASN 455          2HD2      ASN 455  33.079   8.980  -1.763
  745    H    ALA 456           H        ALA 456  28.254   9.942  -3.527
  746    HA   ALA 456           HA       ALA 456  27.991  11.112  -0.838
  747    HB1  ALA 456           HB1      ALA 456  29.739  12.135  -2.205
  748    HB2  ALA 456           HB2      ALA 456  28.431  13.274  -1.883
  749    HB3  ALA 456           HB3      ALA 456  28.552  12.494  -3.459
  750    H    SER 457           H        SER 457  26.340  12.789  -0.607
  751    HA   SER 457           HA       SER 457  23.792  11.946  -1.454
  752    HB2  SER 457           HB2      SER 457  24.574  14.684  -0.425
  753    HB3  SER 457           HB1      SER 457  22.975  13.941  -0.352
  754    HG   SER 457           HG       SER 457  25.326  13.000   0.961
  755    H    LYS 458           H        LYS 458  22.553  12.507  -3.189
  756    HA   LYS 458           HA       LYS 458  23.883  13.931  -5.322
  757    HB2  LYS 458           HB2      LYS 458  22.614  11.859  -5.773
  758    HB3  LYS 458           HB1      LYS 458  21.137  12.662  -5.256
  759    HG2  LYS 458           HG2      LYS 458  21.350  14.253  -7.093
  760    HG3  LYS 458           HG1      LYS 458  22.839  13.463  -7.610
  761    HD2  LYS 458           HD2      LYS 458  20.995  12.705  -8.978
  762    HD3  LYS 458           HD1      LYS 458  21.571  11.375  -7.971
  763    HE2  LYS 458           HE2      LYS 458  19.732  11.752  -6.413
  764    HE3  LYS 458           HE1      LYS 458  19.175  13.113  -7.387
  765    HZ1  LYS 458           HZ1      LYS 458  19.273  10.265  -8.226
  766    HZ2  LYS 458           HZ2      LYS 458  18.842  11.559  -9.239
  767    HZ3  LYS 458           HZ3      LYS 458  17.879  11.178  -7.897
  768    H    HIS 459           H        HIS 459  20.540  14.194  -4.094
  769    HA   HIS 459           HA       HIS 459  20.789  17.071  -3.858
  770    HB2  HIS 459           HB2      HIS 459  20.379  16.632  -6.310
  771    HB3  HIS 459           HB1      HIS 459  18.828  15.935  -5.865
  772    HD1  HIS 459           HD1      HIS 459  16.927  17.506  -5.934
  773    HD2  HIS 459           HD2      HIS 459  20.558  19.469  -5.407
  774    HE1  HIS 459           HE1      HIS 459  16.384  19.965  -5.978
  775    HE2  HIS 459           HE2      HIS 459  18.572  21.129  -5.494
  776    H    GLY 460           H        GLY 460  19.829  14.372  -2.579
  777    HA2  GLY 460           HA2      GLY 460  18.458  14.542  -0.548
  778    HA3  GLY 460           HA1      GLY 460  17.308  15.470  -1.504
  779    H    VAL 461           H        VAL 461  16.586  14.250  -3.554
  780    HA   VAL 461           HA       VAL 461  15.413  11.782  -2.701
  781    HB   VAL 461           HB       VAL 461  15.399  13.002  -5.469
  782   HG11  VAL 461          1HG1      VAL 461  13.356  11.663  -5.769
  783   HG12  VAL 461          2HG1      VAL 461  13.603  10.952  -4.174
  784   HG13  VAL 461          3HG1      VAL 461  14.771  10.656  -5.462
  785   HG21  VAL 461          3HG2      VAL 461  13.423  13.327  -3.212
  786   HG22  VAL 461          1HG2      VAL 461  13.224  13.942  -4.853
  787   HG23  VAL 461          2HG2      VAL 461  14.514  14.570  -3.826
  788    H    GLY 462           H        GLY 462  16.295   9.842  -2.849
  789    HA2  GLY 462           HA2      GLY 462  17.771   9.011  -5.173
  790    HA3  GLY 462           HA1      GLY 462  18.797   9.204  -3.758
  791    H    THR 463           H        THR 463  17.354   8.286  -1.708
  792    HA   THR 463           HA       THR 463  17.457   5.472  -2.100
  793    HB   THR 463           HB       THR 463  17.995   6.441   0.075
  794    HG1  THR 463           HG1      THR 463  16.117   4.460  -0.292
  795   HG21  THR 463          3HG2      THR 463  16.224   7.288   1.555
  796   HG22  THR 463          1HG2      THR 463  15.063   7.152   0.234
  797   HG23  THR 463          2HG2      THR 463  16.403   8.290   0.115
  798    H    GLU 464           H        GLU 464  15.004   7.786  -2.593
  799    HA   GLU 464           HA       GLU 464  12.658   6.343  -2.228
  800    HB2  GLU 464           HB2      GLU 464  12.580   8.686  -2.763
  801    HB3  GLU 464           HB1      GLU 464  13.409   8.421  -4.290
  802    HG2  GLU 464           HG2      GLU 464  11.036   6.843  -4.242
  803    HG3  GLU 464           HG1      GLU 464  10.639   8.501  -3.791
  804    H    SER 465           H        SER 465  14.466   6.696  -5.283
  805    HA   SER 465           HA       SER 465  12.966   4.761  -6.669
  806    HB2  SER 465           HB2      SER 465  15.763   5.767  -7.248
  807    HB3  SER 465           HB1      SER 465  14.709   4.929  -8.387
  808    HG   SER 465           HG       SER 465  13.341   6.979  -7.363
  809    H    LEU 466           H        LEU 466  15.736   4.537  -4.580
  810    HA   LEU 466           HA       LEU 466  16.634   1.968  -5.310
  811    HB2  LEU 466           HB2      LEU 466  17.913   3.517  -3.879
  812    HB3  LEU 466           HB1      LEU 466  16.726   3.314  -2.606
  813    HG   LEU 466           HG       LEU 466  17.323   0.909  -2.472
  814   HD11  LEU 466          1HD1      LEU 466  19.486   1.681  -4.426
  815   HD12  LEU 466          2HD1      LEU 466  18.136   0.589  -4.737
  816   HD13  LEU 466          3HD1      LEU 466  19.380   0.144  -3.569
  817   HD21  LEU 466          3HD2      LEU 466  19.462   1.246  -1.351
  818   HD22  LEU 466          1HD2      LEU 466  18.340   2.552  -0.968
  819   HD23  LEU 466          2HD2      LEU 466  19.637   2.817  -2.134
  820    H    PHE 467           H        PHE 467  14.461   3.002  -2.676
  821    HA   PHE 467           HA       PHE 467  13.658   0.512  -1.774
  822    HB2  PHE 467           HB2      PHE 467  13.053   2.446  -0.531
  823    HB3  PHE 467           HB1      PHE 467  12.207   3.151  -1.903
  824    HD1  PHE 467           HD2      PHE 467  12.075   0.302   0.486
  825    HD2  PHE 467           HD1      PHE 467   9.926   2.845  -2.159
  826    HE1  PHE 467           HE2      PHE 467   9.955  -0.641   1.302
  827    HE2  PHE 467           HE1      PHE 467   7.804   1.904  -1.349
  828    HZ   PHE 467           HZ       PHE 467   7.819   0.158   0.385
  829    H    PHE 468           H        PHE 468  11.960   2.542  -4.178
  830    HA   PHE 468           HA       PHE 468   9.914   0.648  -4.578
  831    HB2  PHE 468           HB2      PHE 468  10.771   3.059  -6.164
  832    HB3  PHE 468           HB1      PHE 468   9.392   2.064  -6.627
  833    HD1  PHE 468           HD1      PHE 468   7.467   1.846  -5.072
  834    HD2  PHE 468           HD2      PHE 468  10.608   4.635  -4.414
  835    HE1  PHE 468           HE1      PHE 468   6.033   3.078  -3.502
  836    HE2  PHE 468           HE2      PHE 468   9.179   5.877  -2.841
  837    HZ   PHE 468           HZ       PHE 468   6.888   5.095  -2.383
  838    H    ASP 469           H        ASP 469  13.037   1.022  -6.118
  839    HA   ASP 469           HA       ASP 469  12.444  -0.686  -8.330
  840    HB2  ASP 469           HB2      ASP 469  14.370   0.892  -8.308
  841    HB3  ASP 469           HB1      ASP 469  15.148  -0.122  -7.093
  842    H    LYS 470           H        LYS 470  13.899  -1.171  -5.142
  843    HA   LYS 470           HA       LYS 470  14.370  -3.933  -5.356
  844    HB2  LYS 470           HB2      LYS 470  13.772  -2.185  -2.970
  845    HB3  LYS 470           HB1      LYS 470  14.146  -3.895  -2.824
  846    HG2  LYS 470           HG2      LYS 470  16.328  -3.522  -3.828
  847    HG3  LYS 470           HG1      LYS 470  15.952  -1.810  -4.028
  848    HD2  LYS 470           HD2      LYS 470  15.845  -1.492  -1.655
  849    HD3  LYS 470           HD1      LYS 470  15.981  -3.228  -1.370
  850    HE2  LYS 470           HE2      LYS 470  18.099  -1.510  -2.655
  851    HE3  LYS 470           HE1      LYS 470  18.094  -2.006  -0.963
  852    HZ1  LYS 470           HZ1      LYS 470  18.284  -3.782  -3.340
  853    HZ2  LYS 470           HZ2      LYS 470  18.124  -4.336  -1.743
  854    HZ3  LYS 470           HZ3      LYS 470  19.504  -3.467  -2.204
  855    H    VAL 471           H        VAL 471  11.547  -2.126  -4.189
  856    HA   VAL 471           HA       VAL 471   9.906  -4.258  -3.469
  857    HB   VAL 471           HB       VAL 471   9.079  -1.627  -4.717
  858   HG11  VAL 471          1HG1      VAL 471   7.452  -3.610  -3.127
  859   HG12  VAL 471          2HG1      VAL 471   7.280  -3.266  -4.848
  860   HG13  VAL 471          3HG1      VAL 471   6.902  -2.020  -3.657
  861   HG21  VAL 471          3HG2      VAL 471   8.676  -0.935  -2.389
  862   HG22  VAL 471          1HG2      VAL 471  10.373  -1.304  -2.701
  863   HG23  VAL 471          2HG2      VAL 471   9.363  -2.462  -1.835
  864    H    ARG 472           H        ARG 472  10.256  -2.665  -6.614
  865    HA   ARG 472           HA       ARG 472   8.314  -4.111  -8.004
  866    HB2  ARG 472           HB2      ARG 472   9.261  -2.067  -8.881
  867    HB3  ARG 472           HB1      ARG 472  10.850  -2.794  -8.989
  868    HG2  ARG 472           HG2      ARG 472  10.152  -4.200 -10.755
  869    HG3  ARG 472           HG1      ARG 472   8.465  -3.744 -10.545
  870    HD2  ARG 472           HD2      ARG 472   9.599  -2.628 -12.466
  871    HD3  ARG 472           HD1      ARG 472   8.904  -1.518 -11.286
  872    HE   ARG 472           HE       ARG 472  11.741  -2.173 -11.028
  873   HH11  ARG 472          1HH1      ARG 472   9.272   0.106 -12.063
  874   HH12  ARG 472          2HH1      ARG 472  10.364   1.468 -12.052
  875   HH21  ARG 472          1HH2      ARG 472  13.164  -0.363 -11.011
  876   HH22  ARG 472          2HH2      ARG 472  12.548   1.203 -11.464
  877    H    LYS 473           H        LYS 473  11.746  -4.817  -7.460
  878    HA   LYS 473           HA       LYS 473  11.673  -7.150  -9.153
  879    HB2  LYS 473           HB2      LYS 473  13.733  -5.821  -8.874
  880    HB3  LYS 473           HB1      LYS 473  13.778  -6.259  -7.170
  881    HG2  LYS 473           HG2      LYS 473  14.051  -8.611  -7.788
  882    HG3  LYS 473           HG1      LYS 473  14.008  -8.163  -9.493
  883    HD2  LYS 473           HD2      LYS 473  16.019  -6.831  -9.219
  884    HD3  LYS 473           HD1      LYS 473  16.040  -7.189  -7.492
  885    HE2  LYS 473           HE2      LYS 473  17.634  -8.597  -8.642
  886    HE3  LYS 473           HE1      LYS 473  16.315  -9.577  -8.009
  887    HZ1  LYS 473           HZ1      LYS 473  16.649  -8.695 -10.830
  888    HZ2  LYS 473           HZ2      LYS 473  15.323  -9.572 -10.237
  889    HZ3  LYS 473           HZ3      LYS 473  16.867 -10.269 -10.231
  890    H    ALA 474           H        ALA 474  11.391  -6.481  -5.718
  891    HA   ALA 474           HA       ALA 474  11.737  -9.165  -4.846
  892    HB1  ALA 474           HB1      ALA 474  12.130  -7.238  -3.385
  893    HB2  ALA 474           HB2      ALA 474  10.971  -8.368  -2.685
  894    HB3  ALA 474           HB3      ALA 474  10.405  -6.868  -3.420
  895    H    LEU 475           H        LEU 475   8.845  -7.148  -5.386
  896    HA   LEU 475           HA       LEU 475   6.977  -9.064  -4.534
  897    HB2  LEU 475           HB2      LEU 475   6.692  -6.812  -6.518
  898    HB3  LEU 475           HB1      LEU 475   5.347  -7.791  -5.965
  899    HG   LEU 475           HG       LEU 475   7.051  -5.948  -4.290
  900   HD11  LEU 475          1HD1      LEU 475   4.126  -5.878  -5.016
  901   HD12  LEU 475          2HD1      LEU 475   5.381  -4.817  -5.658
  902   HD13  LEU 475          3HD1      LEU 475   4.954  -4.745  -3.949
  903   HD21  LEU 475          3HD2      LEU 475   6.518  -7.948  -3.016
  904   HD22  LEU 475          1HD2      LEU 475   4.814  -7.785  -3.446
  905   HD23  LEU 475          2HD2      LEU 475   5.585  -6.571  -2.426
  906    H    ARG 476           H        ARG 476   8.273  -8.351  -7.743
  907    HA   ARG 476           HA       ARG 476   8.733  -9.700  -9.508
  908    HB2  ARG 476           HB2      ARG 476   9.416 -11.327  -7.759
  909    HB3  ARG 476           HB1      ARG 476   7.783 -11.975  -7.769
  910    HG2  ARG 476           HG2      ARG 476   8.062 -12.596 -10.125
  911    HG3  ARG 476           HG1      ARG 476   9.723 -11.994 -10.069
  912    HD2  ARG 476           HD2      ARG 476  10.095 -13.592  -8.150
  913    HD3  ARG 476           HD1      ARG 476   8.531 -14.301  -8.548
  914    HE   ARG 476           HE       ARG 476   9.625 -14.588 -10.870
  915   HH11  ARG 476          1HH1      ARG 476  11.255 -14.796  -7.788
  916   HH12  ARG 476          2HH1      ARG 476  12.451 -15.931  -8.336
  917   HH21  ARG 476          1HH2      ARG 476  11.234 -16.048 -11.632
  918   HH22  ARG 476          2HH2      ARG 476  12.465 -16.608 -10.531
  919    H    SER 477           H        SER 477   5.822 -11.033  -7.966
  920    HA   SER 477           HA       SER 477   4.598 -11.839 -10.373
  921    HB2  SER 477           HB2      SER 477   3.966 -12.872  -8.295
  922    HB3  SER 477           HB1      SER 477   3.491 -11.323  -7.603
  923    HG   SER 477           HG       SER 477   2.039 -13.046  -9.065
  924    H    ALA 478           H        ALA 478   2.909 -10.931 -11.562
  925    HA   ALA 478           HA       ALA 478   3.116  -8.136 -11.940
  926    HB1  ALA 478           HB1      ALA 478   1.383  -8.410 -13.620
  927    HB2  ALA 478           HB2      ALA 478   1.029 -10.027 -13.013
  928    HB3  ALA 478           HB3      ALA 478   2.589  -9.691 -13.763
  929    H    GLU 479           H        GLU 479   0.476 -10.174 -10.663
  930    HA   GLU 479           HA       GLU 479  -1.161  -7.949  -9.999
  931    HB2  GLU 479           HB2      GLU 479  -1.232 -10.853  -9.286
  932    HB3  GLU 479           HB1      GLU 479  -2.261  -9.719  -8.422
  933    HG2  GLU 479           HG2      GLU 479  -3.019  -8.955 -10.753
  934    HG3  GLU 479           HG1      GLU 479  -2.304 -10.468 -11.315
  935    H    ALA 480           H        ALA 480   1.468  -9.513  -8.372
  936    HA   ALA 480           HA       ALA 480   0.917  -8.611  -5.749
  937    HB1  ALA 480           HB1      ALA 480   3.619  -9.105  -6.998
  938    HB2  ALA 480           HB2      ALA 480   2.596 -10.343  -6.273
  939    HB3  ALA 480           HB3      ALA 480   3.251  -9.047  -5.274
  940    H    TYR 481           H        TYR 481   3.100  -7.292  -8.237
  941    HA   TYR 481           HA       TYR 481   3.614  -4.890  -6.834
  942    HB2  TYR 481           HB2      TYR 481   5.082  -5.813  -8.624
  943    HB3  TYR 481           HB1      TYR 481   3.854  -5.384  -9.811
  944    HD1  TYR 481           HD2      TYR 481   5.893  -3.839  -7.096
  945    HD2  TYR 481           HD1      TYR 481   4.012  -3.327 -10.881
  946    HE1  TYR 481           HE2      TYR 481   6.865  -1.587  -7.267
  947    HE2  TYR 481           HE1      TYR 481   4.982  -1.076 -11.063
  948    HH   TYR 481           HH       TYR 481   7.456   0.033  -9.052
  949    H    GLU 482           H        GLU 482   1.238  -5.821  -9.260
  950    HA   GLU 482           HA       GLU 482   0.195  -3.254  -9.757
  951    HB2  GLU 482           HB2      GLU 482  -0.244  -5.286 -11.151
  952    HB3  GLU 482           HB1      GLU 482  -1.307  -5.875  -9.878
  953    HG2  GLU 482           HG2      GLU 482  -2.722  -3.898 -10.156
  954    HG3  GLU 482           HG1      GLU 482  -1.670  -3.335 -11.451
  955    H    ASN 483           H        ASN 483  -0.754  -5.777  -7.426
  956    HA   ASN 483           HA       ASN 483  -2.977  -4.464  -6.352
  957    HB2  ASN 483           HB2      ASN 483  -2.331  -6.873  -5.982
  958    HB3  ASN 483           HB1      ASN 483  -1.102  -6.306  -4.856
  959   HD21  ASN 483          1HD2      ASN 483  -1.734  -5.418  -2.893
  960   HD22  ASN 483          2HD2      ASN 483  -3.324  -5.638  -2.273
  961    H    PHE 484           H        PHE 484   0.445  -4.375  -5.481
  962    HA   PHE 484           HA       PHE 484   0.348  -2.676  -3.281
  963    HB2  PHE 484           HB2      PHE 484   2.413  -3.731  -3.929
  964    HB3  PHE 484           HB1      PHE 484   2.385  -2.940  -5.499
  965    HD1  PHE 484           HD1      PHE 484   2.517  -2.127  -1.861
  966    HD2  PHE 484           HD2      PHE 484   3.641  -1.039  -5.822
  967    HE1  PHE 484           HE1      PHE 484   3.912  -0.308  -0.964
  968    HE2  PHE 484           HE2      PHE 484   5.034   0.782  -4.930
  969    HZ   PHE 484           HZ       PHE 484   5.171   1.148  -2.500
  970    H    LEU 485           H        LEU 485   0.604  -1.857  -6.726
  971    HA   LEU 485           HA       LEU 485   0.534   0.940  -6.377
  972    HB2  LEU 485           HB2      LEU 485  -0.276  -0.709  -8.771
  973    HB3  LEU 485           HB1      LEU 485   0.006   1.022  -8.780
  974    HG   LEU 485           HG       LEU 485   2.081  -1.097  -8.213
  975   HD11  LEU 485          1HD1      LEU 485   3.033  -0.407 -10.337
  976   HD12  LEU 485          2HD1      LEU 485   1.701   0.727 -10.577
  977   HD13  LEU 485          3HD1      LEU 485   1.391  -1.010 -10.549
  978   HD21  LEU 485          3HD2      LEU 485   3.677   0.756  -8.272
  979   HD22  LEU 485          1HD2      LEU 485   2.520   0.942  -6.955
  980   HD23  LEU 485          2HD2      LEU 485   2.344   1.901  -8.425
  981    H    ARG 486           H        ARG 486  -2.019  -1.461  -6.766
  982    HA   ARG 486           HA       ARG 486  -4.149   0.357  -7.117
  983    HB2  ARG 486           HB2      ARG 486  -4.239  -2.353  -5.798
  984    HB3  ARG 486           HB1      ARG 486  -5.619  -1.454  -6.408
  985    HG2  ARG 486           HG2      ARG 486  -4.532  -1.574  -8.683
  986    HG3  ARG 486           HG1      ARG 486  -3.403  -2.735  -7.972
  987    HD2  ARG 486           HD2      ARG 486  -5.678  -3.801  -7.115
  988    HD3  ARG 486           HD1      ARG 486  -6.290  -2.992  -8.554
  989    HE   ARG 486           HE       ARG 486  -4.657  -4.307  -9.839
  990   HH11  ARG 486          1HH1      ARG 486  -5.508  -5.344  -6.607
  991   HH12  ARG 486          2HH1      ARG 486  -5.120  -7.010  -6.897
  992   HH21  ARG 486          1HH2      ARG 486  -4.181  -6.499 -10.261
  993   HH22  ARG 486          2HH2      ARG 486  -4.390  -7.685  -8.998
  994    H    CYS 487           H        CYS 487  -2.705  -1.087  -4.218
  995    HA   CYS 487           HA       CYS 487  -4.375   0.145  -2.337
  996    HB2  CYS 487           HB2      CYS 487  -1.435  -0.520  -2.057
  997    HB3  CYS 487           HB1      CYS 487  -2.566  -0.243  -0.737
  998    HG   CYS 487           HG       CYS 487  -2.726  -2.848  -2.954
  999    H    LEU 488           H        LEU 488  -1.568   1.302  -4.110
 1000    HA   LEU 488           HA       LEU 488  -1.184   3.692  -2.657
 1001    HB2  LEU 488           HB2      LEU 488  -0.506   3.048  -5.523
 1002    HB3  LEU 488           HB1      LEU 488   0.089   4.433  -4.635
 1003    HG   LEU 488           HG       LEU 488   0.744   1.535  -4.163
 1004   HD11  LEU 488          1HD1      LEU 488   1.976   2.609  -5.959
 1005   HD12  LEU 488          2HD1      LEU 488   3.033   2.295  -4.582
 1006   HD13  LEU 488          3HD1      LEU 488   2.432   3.927  -4.879
 1007   HD21  LEU 488          3HD2      LEU 488   2.168   2.327  -2.312
 1008   HD22  LEU 488          1HD2      LEU 488   0.447   2.560  -1.998
 1009   HD23  LEU 488          2HD2      LEU 488   1.448   3.930  -2.478
 1010    H    VAL 489           H        VAL 489  -2.887   3.069  -5.751
 1011    HA   VAL 489           HA       VAL 489  -3.640   5.734  -6.161
 1012    HB   VAL 489           HB       VAL 489  -5.491   4.837  -7.621
 1013   HG11  VAL 489          1HG1      VAL 489  -2.684   3.835  -8.096
 1014   HG12  VAL 489          2HG1      VAL 489  -3.315   5.428  -8.513
 1015   HG13  VAL 489          3HG1      VAL 489  -3.936   3.994  -9.329
 1016   HG21  VAL 489          3HG2      VAL 489  -4.303   2.209  -6.758
 1017   HG22  VAL 489          1HG2      VAL 489  -5.298   2.404  -8.204
 1018   HG23  VAL 489          2HG2      VAL 489  -5.978   2.737  -6.611
 1019    H    ILE 490           H        ILE 490  -5.394   3.134  -4.454
 1020    HA   ILE 490           HA       ILE 490  -7.657   4.802  -3.978
 1021    HB   ILE 490           HB       ILE 490  -8.337   3.131  -2.277
 1022   HG12  ILE 490          2HG1      ILE 490  -5.731   1.805  -3.047
 1023   HG13  ILE 490          1HG1      ILE 490  -6.170   2.421  -1.457
 1024   HG21  ILE 490          1HG2      ILE 490  -8.691   1.299  -3.873
 1025   HG22  ILE 490          2HG2      ILE 490  -7.505   2.030  -4.956
 1026   HG23  ILE 490          3HG2      ILE 490  -9.006   2.881  -4.588
 1027   HD11  ILE 490          3HD1      ILE 490  -7.413   0.087  -2.891
 1028   HD12  ILE 490          1HD1      ILE 490  -7.967   0.735  -1.344
 1029   HD13  ILE 490          2HD1      ILE 490  -6.354   0.031  -1.482
 1030    H    PHE 491           H        PHE 491  -4.668   4.216  -2.209
 1031    HA   PHE 491           HA       PHE 491  -5.374   5.613   0.142
 1032    HB2  PHE 491           HB2      PHE 491  -3.406   4.264   0.194
 1033    HB3  PHE 491           HB1      PHE 491  -2.723   5.081  -1.205
 1034    HD1  PHE 491           HD2      PHE 491  -3.510   5.448   2.387
 1035    HD2  PHE 491           HD1      PHE 491  -1.443   7.052  -0.972
 1036    HE1  PHE 491           HE2      PHE 491  -2.286   6.983   3.872
 1037    HE2  PHE 491           HE1      PHE 491  -0.215   8.585   0.507
 1038    HZ   PHE 491           HZ       PHE 491  -0.638   8.556   2.932
 1039    H    ASN 492           H        ASN 492  -3.877   6.628  -2.888
 1040    HA   ASN 492           HA       ASN 492  -3.369   9.304  -2.155
 1041    HB2  ASN 492           HB2      ASN 492  -3.775   8.064  -4.884
 1042    HB3  ASN 492           HB1      ASN 492  -3.212   9.710  -4.622
 1043   HD21  ASN 492          1HD2      ASN 492  -1.922   7.424  -5.916
 1044   HD22  ASN 492          2HD2      ASN 492  -0.423   7.199  -5.090
 1045    H    GLN 493           H        GLN 493  -6.206   7.711  -3.406
 1046    HA   GLN 493           HA       GLN 493  -7.553  10.253  -3.833
 1047    HB2  GLN 493           HB2      GLN 493  -9.316   8.985  -4.873
 1048    HB3  GLN 493           HB1      GLN 493  -7.764   8.479  -5.525
 1049    HG2  GLN 493           HG2      GLN 493  -7.786   6.548  -4.025
 1050    HG3  GLN 493           HG1      GLN 493  -9.378   7.050  -3.461
 1051   HE21  GLN 493          1HE2      GLN 493  -7.544   5.813  -6.132
 1052   HE22  GLN 493          2HE2      GLN 493  -8.888   5.230  -7.050
 1053    H    GLU 494           H        GLU 494  -6.862   8.736  -1.187
 1054    HA   GLU 494           HA       GLU 494  -7.624   8.921   0.932
 1055    HB2  GLU 494           HB2      GLU 494  -9.794  10.612  -0.323
 1056    HB3  GLU 494           HB1      GLU 494  -9.511  10.460   1.405
 1057    HG2  GLU 494           HG2      GLU 494  -7.352  11.481   1.207
 1058    HG3  GLU 494           HG1      GLU 494  -7.473  11.493  -0.551
 1059    H    VAL 495           H        VAL 495  -8.416   6.669  -0.674
 1060    HA   VAL 495           HA       VAL 495 -11.068   5.978   0.319
 1061    HB   VAL 495           HB       VAL 495  -9.073   4.406  -1.324
 1062   HG11  VAL 495          1HG1      VAL 495 -11.823   3.603  -0.379
 1063   HG12  VAL 495          2HG1      VAL 495 -10.290   2.880   0.112
 1064   HG13  VAL 495          3HG1      VAL 495 -10.847   2.718  -1.553
 1065   HG21  VAL 495          3HG2      VAL 495 -10.732   4.631  -3.105
 1066   HG22  VAL 495          1HG2      VAL 495 -10.223   6.214  -2.518
 1067   HG23  VAL 495          2HG2      VAL 495 -11.780   5.549  -2.024
 1068    H    ILE 496           H        ILE 496  -7.734   4.752   0.651
 1069    HA   ILE 496           HA       ILE 496  -8.553   3.558   3.213
 1070    HB   ILE 496           HB       ILE 496  -6.611   2.076   3.047
 1071   HG12  ILE 496          2HG1      ILE 496  -6.213   3.213   0.272
 1072   HG13  ILE 496          1HG1      ILE 496  -5.209   3.616   1.662
 1073   HG21  ILE 496          1HG2      ILE 496  -8.371   1.995   0.602
 1074   HG22  ILE 496          2HG2      ILE 496  -8.745   1.302   2.181
 1075   HG23  ILE 496          3HG2      ILE 496  -7.414   0.650   1.224
 1076   HD11  ILE 496          3HD1      ILE 496  -4.156   1.950   0.240
 1077   HD12  ILE 496          1HD1      ILE 496  -5.537   0.878   0.461
 1078   HD13  ILE 496          2HD1      ILE 496  -4.514   1.291   1.836
 1079    H    SER 497           H        SER 497  -7.312   3.928   5.043
 1080    HA   SER 497           HA       SER 497  -5.845   6.420   4.977
 1081    HB2  SER 497           HB2      SER 497  -7.532   5.858   6.759
 1082    HB3  SER 497           HB1      SER 497  -6.417   4.628   7.349
 1083    HG   SER 497           HG       SER 497  -6.478   7.170   7.996
 1084    H    ARG 498           H        ARG 498  -3.901   6.387   6.639
 1085    HA   ARG 498           HA       ARG 498  -1.753   5.147   5.396
 1086    HB2  ARG 498           HB2      ARG 498  -1.445   7.080   6.779
 1087    HB3  ARG 498           HB1      ARG 498  -2.074   6.245   8.189
 1088    HG2  ARG 498           HG2      ARG 498  -0.113   4.749   8.135
 1089    HG3  ARG 498           HG1      ARG 498   0.524   5.684   6.780
 1090    HD2  ARG 498           HD2      ARG 498   1.482   6.356   8.966
 1091    HD3  ARG 498           HD1      ARG 498   0.651   7.668   8.130
 1092    HE   ARG 498           HE       ARG 498  -1.292   7.071   9.657
 1093   HH11  ARG 498          1HH1      ARG 498   2.058   6.664  10.556
 1094   HH12  ARG 498          2HH1      ARG 498   1.745   6.753  12.263
 1095   HH21  ARG 498          1HH2      ARG 498  -1.700   7.258  11.909
 1096   HH22  ARG 498          2HH2      ARG 498  -0.376   7.117  13.031
 1097    H    ALA 499           H        ALA 499  -3.470   4.188   8.366
 1098    HA   ALA 499           HA       ALA 499  -1.905   1.960   8.998
 1099    HB1  ALA 499           HB1      ALA 499  -3.508   2.951  10.550
 1100    HB2  ALA 499           HB2      ALA 499  -3.793   1.221  10.359
 1101    HB3  ALA 499           HB3      ALA 499  -4.842   2.383   9.545
 1102    H    GLU 500           H        GLU 500  -4.994   2.077   7.205
 1103    HA   GLU 500           HA       GLU 500  -5.174  -0.631   6.617
 1104    HB2  GLU 500           HB2      GLU 500  -6.140   1.729   5.000
 1105    HB3  GLU 500           HB1      GLU 500  -6.588   0.061   4.678
 1106    HG2  GLU 500           HG2      GLU 500  -8.369   0.617   5.930
 1107    HG3  GLU 500           HG1      GLU 500  -7.283   0.197   7.252
 1108    H    LEU 501           H        LEU 501  -3.477   1.931   4.874
 1109    HA   LEU 501           HA       LEU 501  -2.814   0.470   2.578
 1110    HB2  LEU 501           HB2      LEU 501  -2.551   2.880   2.696
 1111    HB3  LEU 501           HB1      LEU 501  -1.330   2.713   3.943
 1112    HG   LEU 501           HG       LEU 501   0.153   1.588   2.315
 1113   HD11  LEU 501          1HD1      LEU 501  -2.000   2.285   0.325
 1114   HD12  LEU 501          2HD1      LEU 501  -1.552   0.661   0.844
 1115   HD13  LEU 501          3HD1      LEU 501  -0.402   1.647  -0.061
 1116   HD21  LEU 501          3HD2      LEU 501   0.304   3.998   2.705
 1117   HD22  LEU 501          1HD2      LEU 501  -0.861   4.277   1.411
 1118   HD23  LEU 501          2HD2      LEU 501   0.716   3.578   1.041
 1119    H    VAL 502           H        VAL 502  -0.993   0.942   5.593
 1120    HA   VAL 502           HA       VAL 502   1.209  -0.660   4.785
 1121    HB   VAL 502           HB       VAL 502   0.422  -0.104   7.649
 1122   HG11  VAL 502          1HG1      VAL 502   3.122  -0.415   6.352
 1123   HG12  VAL 502          2HG1      VAL 502   2.275  -1.694   7.233
 1124   HG13  VAL 502          3HG1      VAL 502   2.788  -0.233   8.075
 1125   HG21  VAL 502          3HG2      VAL 502   1.765   1.930   7.497
 1126   HG22  VAL 502          1HG2      VAL 502   0.370   1.996   6.419
 1127   HG23  VAL 502          2HG2      VAL 502   1.976   1.658   5.768
 1128    H    GLN 503           H        GLN 503  -1.839  -1.340   6.360
 1129    HA   GLN 503           HA       GLN 503  -1.260  -3.993   7.177
 1130    HB2  GLN 503           HB2      GLN 503  -3.844  -2.560   6.588
 1131    HB3  GLN 503           HB1      GLN 503  -3.798  -4.236   7.112
 1132    HG2  GLN 503           HG2      GLN 503  -2.725  -3.586   9.186
 1133    HG3  GLN 503           HG1      GLN 503  -2.691  -1.903   8.657
 1134   HE21  GLN 503          1HE2      GLN 503  -4.728  -4.548   9.678
 1135   HE22  GLN 503          2HE2      GLN 503  -6.114  -3.583  10.065
 1136    H    LEU 504           H        LEU 504  -2.742  -2.650   4.248
 1137    HA   LEU 504           HA       LEU 504  -3.511  -5.096   3.099
 1138    HB2  LEU 504           HB2      LEU 504  -2.870  -2.442   1.832
 1139    HB3  LEU 504           HB1      LEU 504  -3.551  -3.798   0.952
 1140    HG   LEU 504           HG       LEU 504  -4.859  -2.371   3.267
 1141   HD11  LEU 504          1HD1      LEU 504  -6.432  -1.576   1.584
 1142   HD12  LEU 504          2HD1      LEU 504  -5.485  -2.365   0.322
 1143   HD13  LEU 504          3HD1      LEU 504  -4.790  -1.028   1.239
 1144   HD21  LEU 504          3HD2      LEU 504  -5.427  -4.747   3.180
 1145   HD22  LEU 504          1HD2      LEU 504  -5.888  -4.571   1.485
 1146   HD23  LEU 504          2HD2      LEU 504  -6.804  -3.732   2.740
 1147    H    VAL 505           H        VAL 505  -0.523  -3.251   2.827
 1148    HA   VAL 505           HA       VAL 505   0.510  -5.073   0.819
 1149    HB   VAL 505           HB       VAL 505   0.899  -2.576   0.793
 1150   HG11  VAL 505          1HG1      VAL 505   2.729  -1.691   2.148
 1151   HG12  VAL 505          2HG1      VAL 505   2.844  -3.230   2.998
 1152   HG13  VAL 505          3HG1      VAL 505   1.386  -2.249   3.147
 1153   HG21  VAL 505          3HG2      VAL 505   3.204  -2.754  -0.016
 1154   HG22  VAL 505          1HG2      VAL 505   2.195  -4.075  -0.607
 1155   HG23  VAL 505          2HG2      VAL 505   3.332  -4.355   0.712
 1156    H    SER 506           H        SER 506   0.102  -5.462   3.966
 1157    HA   SER 506           HA       SER 506   2.560  -6.091   5.097
 1158    HB2  SER 506           HB2      SER 506   0.502  -5.942   6.416
 1159    HB3  SER 506           HB1      SER 506  -0.124  -7.391   5.635
 1160    HG   SER 506           HG       SER 506   1.526  -7.168   7.759
 1161    HA   PRO 507           HA       PRO 507   2.094 -10.672   3.546
 1162    HB2  PRO 507           HB2      PRO 507   0.264 -10.439   1.245
 1163    HB3  PRO 507           HB1      PRO 507   0.291 -11.636   2.541
 1164    HG2  PRO 507           HG2      PRO 507  -1.622  -9.770   2.419
 1165    HG3  PRO 507           HG1      PRO 507  -0.954 -10.309   3.972
 1166    HD2  PRO 507           HD2      PRO 507  -0.344  -7.822   2.412
 1167    HD3  PRO 507           HD1      PRO 507  -0.600  -8.020   4.159
 1168    H    PHE 508           H        PHE 508   2.450  -7.828   1.769
 1169    HA   PHE 508           HA       PHE 508   3.766  -9.174  -0.474
 1170    HB2  PHE 508           HB2      PHE 508   2.912  -6.292  -0.139
 1171    HB3  PHE 508           HB1      PHE 508   3.711  -6.944  -1.568
 1172    HD1  PHE 508           HD1      PHE 508   2.537  -8.421  -3.083
 1173    HD2  PHE 508           HD2      PHE 508   0.603  -6.804   0.343
 1174    HE1  PHE 508           HE1      PHE 508   0.352  -9.082  -4.005
 1175    HE2  PHE 508           HE2      PHE 508  -1.581  -7.459  -0.572
 1176    HZ   PHE 508           HZ       PHE 508  -1.709  -8.601  -2.749
 1177    H    LEU 509           H        LEU 509   4.375  -6.536   1.858
 1178    HA   LEU 509           HA       LEU 509   7.232  -6.760   1.189
 1179    HB2  LEU 509           HB2      LEU 509   5.738  -4.520   2.550
 1180    HB3  LEU 509           HB1      LEU 509   7.463  -4.535   2.245
 1181    HG   LEU 509           HG       LEU 509   5.288  -4.493   0.151
 1182   HD11  LEU 509          1HD1      LEU 509   5.562  -2.375   1.322
 1183   HD12  LEU 509          2HD1      LEU 509   6.149  -2.260  -0.338
 1184   HD13  LEU 509          3HD1      LEU 509   7.293  -2.407   0.997
 1185   HD21  LEU 509          3HD2      LEU 509   8.288  -4.455  -0.158
 1186   HD22  LEU 509          1HD2      LEU 509   7.111  -4.239  -1.456
 1187   HD23  LEU 509          2HD2      LEU 509   7.215  -5.781  -0.607
 1188    H    GLY 510           H        GLY 510   5.046  -7.724   3.508
 1189    HA2  GLY 510           HA2      GLY 510   6.428  -7.165   5.911
 1190    HA3  GLY 510           HA1      GLY 510   5.186  -8.388   5.699
 1191    H    LYS 511           H        LYS 511   6.966  -9.570   3.496
 1192    HA   LYS 511           HA       LYS 511   8.459 -11.291   5.270
 1193    HB2  LYS 511           HB2      LYS 511   9.070 -12.514   3.160
 1194    HB3  LYS 511           HB1      LYS 511   7.347 -12.420   3.485
 1195    HG2  LYS 511           HG2      LYS 511   8.409 -10.270   1.802
 1196    HG3  LYS 511           HG1      LYS 511   8.495 -11.885   1.100
 1197    HD2  LYS 511           HD2      LYS 511   5.948 -11.060   2.392
 1198    HD3  LYS 511           HD1      LYS 511   6.353 -10.334   0.839
 1199    HE2  LYS 511           HE2      LYS 511   4.986 -12.291   0.486
 1200    HE3  LYS 511           HE1      LYS 511   6.613 -12.590  -0.120
 1201    HZ1  LYS 511           HZ1      LYS 511   5.659 -13.494   2.546
 1202    HZ2  LYS 511           HZ2      LYS 511   7.103 -13.935   1.760
 1203    HZ3  LYS 511           HZ3      LYS 511   5.611 -14.456   1.152
 1204    H    PHE 512           H        PHE 512   9.060  -8.369   3.855
 1205    HA   PHE 512           HA       PHE 512  11.965  -8.871   3.845
 1206    HB2  PHE 512           HB2      PHE 512  10.493  -6.720   2.302
 1207    HB3  PHE 512           HB1      PHE 512  12.221  -7.050   2.243
 1208    HD1  PHE 512           HD1      PHE 512  12.878  -9.460   1.476
 1209    HD2  PHE 512           HD2      PHE 512   9.106  -7.642   0.719
 1210    HE1  PHE 512           HE1      PHE 512  12.505 -11.019  -0.387
 1211    HE2  PHE 512           HE2      PHE 512   8.729  -9.197  -1.152
 1212    HZ   PHE 512           HZ       PHE 512  10.430 -10.889  -1.705
 1213    HA   PRO 513           HA       PRO 513  11.105  -6.541   7.659
 1214    HB2  PRO 513           HB2      PRO 513  13.793  -6.658   8.423
 1215    HB3  PRO 513           HB1      PRO 513  12.527  -7.798   8.881
 1216    HG2  PRO 513           HG2      PRO 513  14.571  -8.004   6.722
 1217    HG3  PRO 513           HG1      PRO 513  13.915  -9.269   7.779
 1218    HD2  PRO 513           HD2      PRO 513  13.137  -9.054   5.231
 1219    HD3  PRO 513           HD1      PRO 513  11.982  -9.500   6.506
 1220    H    GLU 514           H        GLU 514  14.152  -5.901   5.875
 1221    HA   GLU 514           HA       GLU 514  14.407  -3.256   6.847
 1222    HB2  GLU 514           HB2      GLU 514  16.298  -4.575   5.955
 1223    HB3  GLU 514           HB1      GLU 514  15.591  -4.486   4.348
 1224    HG2  GLU 514           HG2      GLU 514  17.289  -2.866   4.403
 1225    HG3  GLU 514           HG1      GLU 514  15.772  -1.979   4.538
 1226    H    LEU 515           H        LEU 515  13.117  -4.609   3.866
 1227    HA   LEU 515           HA       LEU 515  12.704  -2.185   2.509
 1228    HB2  LEU 515           HB2      LEU 515  12.763  -4.533   1.563
 1229    HB3  LEU 515           HB1      LEU 515  11.126  -4.727   2.157
 1230    HG   LEU 515           HG       LEU 515  10.406  -2.852   0.711
 1231   HD11  LEU 515          1HD1      LEU 515  13.246  -2.990  -0.297
 1232   HD12  LEU 515          2HD1      LEU 515  12.496  -1.638   0.556
 1233   HD13  LEU 515          3HD1      LEU 515  11.938  -2.085  -1.057
 1234   HD21  LEU 515          3HD2      LEU 515  11.830  -5.102  -0.705
 1235   HD22  LEU 515          1HD2      LEU 515  10.572  -4.080  -1.400
 1236   HD23  LEU 515          2HD2      LEU 515  10.192  -5.155  -0.054
 1237    H    PHE 516           H        PHE 516  10.585  -4.134   4.577
 1238    HA   PHE 516           HA       PHE 516   8.303  -2.478   4.164
 1239    HB2  PHE 516           HB2      PHE 516   8.369  -4.929   4.954
 1240    HB3  PHE 516           HB1      PHE 516   8.707  -4.268   6.550
 1241    HD1  PHE 516           HD2      PHE 516   6.489  -2.726   4.043
 1242    HD2  PHE 516           HD1      PHE 516   6.724  -4.969   7.653
 1243    HE1  PHE 516           HE2      PHE 516   4.082  -2.396   4.394
 1244    HE2  PHE 516           HE1      PHE 516   4.308  -4.644   8.008
 1245    HZ   PHE 516           HZ       PHE 516   2.988  -3.353   6.380
 1246    H    ASN 517           H        ASN 517  10.942  -2.502   6.487
 1247    HA   ASN 517           HA       ASN 517   9.783  -0.595   8.264
 1248    HB2  ASN 517           HB2      ASN 517  12.492  -1.778   7.907
 1249    HB3  ASN 517           HB1      ASN 517  12.390  -0.245   8.771
 1250   HD21  ASN 517          1HD2      ASN 517  11.555  -3.612   8.785
 1251   HD22  ASN 517          2HD2      ASN 517  11.081  -3.698  10.452
 1252    H    TRP 518           H        TRP 518  11.836  -0.368   5.405
 1253    HA   TRP 518           HA       TRP 518  12.291   2.403   5.425
 1254    HB2  TRP 518           HB2      TRP 518  13.263   0.666   3.822
 1255    HB3  TRP 518           HB1      TRP 518  11.736   0.736   2.957
 1256    HD1  TRP 518           HD1      TRP 518  15.085   2.253   3.007
 1257    HE1  TRP 518           HE1      TRP 518  15.190   4.318   1.471
 1258    HE3  TRP 518           HE3      TRP 518  10.083   2.971   2.238
 1259    HZ2  TRP 518           HZ2      TRP 518  13.401   6.034   0.143
 1260    HZ3  TRP 518           HZ3      TRP 518   9.365   4.852   0.829
 1261    HH2  TRP 518           HH2      TRP 518  10.991   6.352  -0.200
 1262    H    PHE 519           H        PHE 519   9.685   0.471   4.003
 1263    HA   PHE 519           HA       PHE 519   8.121   2.482   2.939
 1264    HB2  PHE 519           HB2      PHE 519   7.839  -0.001   2.656
 1265    HB3  PHE 519           HB1      PHE 519   7.116  -0.047   4.259
 1266    HD1  PHE 519           HD2      PHE 519   6.740   1.992   1.159
 1267    HD2  PHE 519           HD1      PHE 519   4.832  -0.197   4.270
 1268    HE1  PHE 519           HE2      PHE 519   4.554   2.473   0.155
 1269    HE2  PHE 519           HE1      PHE 519   2.644   0.281   3.270
 1270    HZ   PHE 519           HZ       PHE 519   2.496   1.619   1.208
 1271    H    LYS 520           H        LYS 520   7.859   0.986   6.164
 1272    HA   LYS 520           HA       LYS 520   5.749   2.528   7.119
 1273    HB2  LYS 520           HB2      LYS 520   8.040   1.253   8.603
 1274    HB3  LYS 520           HB1      LYS 520   6.670   2.014   9.403
 1275    HG2  LYS 520           HG2      LYS 520   5.164   0.444   8.244
 1276    HG3  LYS 520           HG1      LYS 520   6.576  -0.354   7.550
 1277    HD2  LYS 520           HD2      LYS 520   7.378  -0.940   9.747
 1278    HD3  LYS 520           HD1      LYS 520   6.064  -0.036  10.502
 1279    HE2  LYS 520           HE2      LYS 520   4.447  -1.555   9.436
 1280    HE3  LYS 520           HE1      LYS 520   5.785  -2.482   8.763
 1281    HZ1  LYS 520           HZ1      LYS 520   6.540  -2.859  11.086
 1282    HZ2  LYS 520           HZ2      LYS 520   5.042  -3.564  10.731
 1283    HZ3  LYS 520           HZ3      LYS 520   5.111  -2.126  11.635
 1284    H    ASN 521           H        ASN 521   9.224   3.197   7.217
 1285    HA   ASN 521           HA       ASN 521   9.071   5.545   8.773
 1286    HB2  ASN 521           HB2      ASN 521  11.186   4.375   8.395
 1287    HB3  ASN 521           HB1      ASN 521  11.105   4.743   6.676
 1288   HD21  ASN 521          1HD2      ASN 521  11.680   6.758   5.958
 1289   HD22  ASN 521          2HD2      ASN 521  12.402   7.959   6.976
 1290    H    PHE 522           H        PHE 522   8.719   4.938   5.339
 1291    HA   PHE 522           HA       PHE 522   8.745   7.622   4.470
 1292    HB2  PHE 522           HB2      PHE 522   9.016   5.630   2.992
 1293    HB3  PHE 522           HB1      PHE 522   7.308   5.273   3.216
 1294    HD1  PHE 522           HD2      PHE 522   9.534   8.053   2.120
 1295    HD2  PHE 522           HD1      PHE 522   5.808   6.051   1.652
 1296    HE1  PHE 522           HE2      PHE 522   8.994   9.513   0.218
 1297    HE2  PHE 522           HE1      PHE 522   5.263   7.508  -0.257
 1298    HZ   PHE 522           HZ       PHE 522   6.857   9.242  -0.974
 1299    H    LEU 523           H        LEU 523   6.112   5.476   5.508
 1300    HA   LEU 523           HA       LEU 523   4.077   7.463   5.076
 1301    HB2  LEU 523           HB2      LEU 523   4.024   4.886   6.644
 1302    HB3  LEU 523           HB1      LEU 523   2.632   5.922   6.423
 1303    HG   LEU 523           HG       LEU 523   3.427   5.480   3.835
 1304   HD11  LEU 523          1HD1      LEU 523   5.081   3.834   4.583
 1305   HD12  LEU 523          2HD1      LEU 523   3.805   3.103   3.610
 1306   HD13  LEU 523          3HD1      LEU 523   3.793   2.908   5.365
 1307   HD21  LEU 523          3HD2      LEU 523   1.151   5.410   4.751
 1308   HD22  LEU 523          1HD2      LEU 523   1.500   3.828   5.456
 1309   HD23  LEU 523          2HD2      LEU 523   1.495   4.032   3.704
 1310    H    GLY 524           H        GLY 524   6.414   7.009   7.470
 1311    HA2  GLY 524           HA2      GLY 524   6.728   7.964   9.550
 1312    HA3  GLY 524           HA1      GLY 524   5.305   8.957   9.249
 1313    H    TYR 525           H        TYR 525   5.467   5.471   9.141
 1314    HA   TYR 525           HA       TYR 525   3.260   5.367  11.059
 1315    HB2  TYR 525           HB2      TYR 525   2.955   4.367   8.813
 1316    HB3  TYR 525           HB1      TYR 525   4.294   3.273   9.134
 1317    HD1  TYR 525           HD2      TYR 525   0.992   4.263  10.590
 1318    HD2  TYR 525           HD1      TYR 525   3.822   1.158   9.918
 1319    HE1  TYR 525           HE2      TYR 525  -0.582   2.629  11.535
 1320    HE2  TYR 525           HE1      TYR 525   2.253  -0.483  10.862
 1321    HH   TYR 525           HH       TYR 525   0.369  -0.653  12.215
 1322    H    LYS 526           H        LYS 526   3.933   5.136  13.077
 1323    HA   LYS 526           HA       LYS 526   6.290   3.474  13.657
 1324    HB2  LYS 526           HB2      LYS 526   6.347   4.610  15.797
 1325    HB3  LYS 526           HB1      LYS 526   6.251   5.807  14.513
 1326    HG2  LYS 526           HG2      LYS 526   3.736   5.816  14.954
 1327    HG3  LYS 526           HG1      LYS 526   4.115   4.951  16.441
 1328    HD2  LYS 526           HD2      LYS 526   4.070   7.159  17.128
 1329    HD3  LYS 526           HD1      LYS 526   5.790   6.875  16.853
 1330    HE2  LYS 526           HE2      LYS 526   5.151   9.002  15.897
 1331    HE3  LYS 526           HE1      LYS 526   5.569   7.872  14.608
 1332    HZ1  LYS 526           HZ1      LYS 526   3.559   9.111  14.082
 1333    HZ2  LYS 526           HZ2      LYS 526   2.812   8.549  15.495
 1334    HZ3  LYS 526           HZ3      LYS 526   3.205   7.464  14.260
 1335    H    GLU 527           H        GLU 527   4.074   2.099  12.902
 1336    HA   GLU 527           HA       GLU 527   2.545   0.532  13.422
 1337    HB2  GLU 527           HB2      GLU 527   3.520   0.754  16.278
 1338    HB3  GLU 527           HB1      GLU 527   2.523  -0.536  15.618
 1339    HG2  GLU 527           HG2      GLU 527   5.396   0.080  14.981
 1340    HG3  GLU 527           HG1      GLU 527   4.747  -1.350  15.780
 1341    H    SER 528           H        SER 528   2.449   3.573  14.096
 1342    HA   SER 528           HA       SER 528  -0.316   3.819  14.205
 1343    HB2  SER 528           HB2      SER 528  -0.035   3.129  16.588
 1344    HB3  SER 528           HB1      SER 528   1.040   4.505  16.835
 1345    HG   SER 528           HG       SER 528  -0.886   5.736  15.943
  Start of MODEL   20
    1    H1   SER 127           HT1      SER 127  16.505 -28.643  25.156
    2    H2   SER 127           HT2      SER 127  15.723 -28.622  26.663
    3    H3   SER 127           HT3      SER 127  16.419 -27.205  26.048
    4    HA   SER 127           HA       SER 127  14.165 -28.659  24.806
    5    HB2  SER 127           HB2      SER 127  13.543 -27.640  26.981
    6    HB3  SER 127           HB1      SER 127  14.135 -26.083  26.405
    7    HG   SER 127           HG       SER 127  12.158 -27.517  24.973
    8    H    ASN 128           H        ASN 128  15.952 -25.567  24.997
    9    HA   ASN 128           HA       ASN 128  15.416 -25.212  22.115
   10    HB2  ASN 128           HB2      ASN 128  14.409 -23.491  23.657
   11    HB3  ASN 128           HB1      ASN 128  16.040 -23.041  24.135
   12   HD21  ASN 128          1HD2      ASN 128  13.883 -21.546  22.789
   13   HD22  ASN 128          2HD2      ASN 128  14.585 -20.937  21.330
   14    H    ALA 129           H        ALA 129  17.131 -25.306  20.811
   15    HA   ALA 129           HA       ALA 129  19.727 -25.771  22.010
   16    HB1  ALA 129           HB1      ALA 129  20.433 -26.390  19.764
   17    HB2  ALA 129           HB2      ALA 129  18.899 -25.816  19.110
   18    HB3  ALA 129           HB3      ALA 129  18.930 -27.204  20.198
   19    H    GLY 130           H        GLY 130  18.114 -23.042  21.131
   20    HA2  GLY 130           HA2      GLY 130  19.335 -20.962  21.564
   21    HA3  GLY 130           HA1      GLY 130  20.662 -21.631  20.628
   22    H    SER 131           H        SER 131  17.304 -21.938  19.667
   23    HA   SER 131           HA       SER 131  17.670 -19.827  17.668
   24    HB2  SER 131           HB2      SER 131  18.249 -22.014  16.612
   25    HB3  SER 131           HB1      SER 131  16.632 -22.595  17.004
   26    HG   SER 131           HG       SER 131  17.008 -21.677  14.812
   27    H    ASP 132           H        ASP 132  15.765 -18.814  17.037
   28    HA   ASP 132           HA       ASP 132  13.394 -19.562  18.628
   29    HB2  ASP 132           HB2      ASP 132  14.445 -17.492  19.462
   30    HB3  ASP 132           HB1      ASP 132  14.278 -16.774  17.862
   31    H    ASP 133           H        ASP 133  14.565 -18.081  15.652
   32    HA   ASP 133           HA       ASP 133  11.991 -18.775  14.394
   33    HB2  ASP 133           HB2      ASP 133  12.161 -16.898  12.944
   34    HB3  ASP 133           HB1      ASP 133  12.497 -16.288  14.560
   35    H    ASP 134           H        ASP 134  12.543 -18.671  11.802
   36    HA   ASP 134           HA       ASP 134  13.896 -21.049  11.297
   37    HB2  ASP 134           HB2      ASP 134  12.241 -20.085   9.761
   38    HB3  ASP 134           HB1      ASP 134  13.365 -18.788   9.361
   39    H    GLY 135           H        GLY 135  15.027 -17.721  10.717
   40    HA2  GLY 135           HA2      GLY 135  17.615 -17.957  11.502
   41    HA3  GLY 135           HA1      GLY 135  17.628 -18.651   9.887
   42    H    GLY 136           H        GLY 136  15.683 -15.955  11.086
   43    HA2  GLY 136           HA2      GLY 136  15.731 -13.716  10.576
   44    HA3  GLY 136           HA1      GLY 136  17.340 -13.944   9.904
   45    H    ASP 137           H        ASP 137  17.530 -13.637   7.815
   46    HA   ASP 137           HA       ASP 137  15.114 -13.491   6.179
   47    HB2  ASP 137           HB2      ASP 137  16.468 -12.222   4.604
   48    HB3  ASP 137           HB1      ASP 137  16.646 -11.542   6.219
   49    H    SER 138           H        SER 138  14.957 -14.533   4.185
   50    HA   SER 138           HA       SER 138  16.653 -16.913   3.944
   51    HB2  SER 138           HB2      SER 138  13.913 -16.343   2.785
   52    HB3  SER 138           HB1      SER 138  14.809 -17.854   2.605
   53    HG   SER 138           HG       SER 138  13.776 -16.711   4.988
   54    HA   PRO 139           HA       PRO 139  18.560 -14.984   0.421
   55    HB2  PRO 139           HB2      PRO 139  19.425 -17.716  -0.266
   56    HB3  PRO 139           HB1      PRO 139  20.399 -16.291   0.104
   57    HG2  PRO 139           HG2      PRO 139  20.201 -18.346   1.820
   58    HG3  PRO 139           HG1      PRO 139  20.338 -16.669   2.379
   59    HD2  PRO 139           HD2      PRO 139  17.917 -18.422   2.205
   60    HD3  PRO 139           HD1      PRO 139  18.385 -17.265   3.469
   61    H    VAL 140           H        VAL 140  16.692 -17.961   0.158
   62    HA   VAL 140           HA       VAL 140  16.118 -17.380  -2.643
   63    HB   VAL 140           HB       VAL 140  14.975 -19.651  -2.580
   64   HG11  VAL 140          1HG1      VAL 140  17.089 -20.869  -2.749
   65   HG12  VAL 140          2HG1      VAL 140  17.925 -19.520  -1.980
   66   HG13  VAL 140          3HG1      VAL 140  17.178 -19.305  -3.563
   67   HG21  VAL 140          3HG2      VAL 140  16.421 -19.820   0.063
   68   HG22  VAL 140          1HG2      VAL 140  15.682 -21.179  -0.784
   69   HG23  VAL 140          2HG2      VAL 140  14.675 -19.864  -0.177
   70    H    GLN 141           H        GLN 141  14.518 -15.994  -2.899
   71    HA   GLN 141           HA       GLN 141  12.080 -16.371  -1.293
   72    HB2  GLN 141           HB2      GLN 141  13.171 -13.895  -2.631
   73    HB3  GLN 141           HB1      GLN 141  11.545 -13.998  -1.973
   74    HG2  GLN 141           HG2      GLN 141  14.096 -14.337  -0.410
   75    HG3  GLN 141           HG1      GLN 141  13.076 -12.899  -0.427
   76   HE21  GLN 141          1HE2      GLN 141  10.614 -14.492  -0.483
   77   HE22  GLN 141          2HE2      GLN 141  10.414 -15.114   1.114
   78    H    ASP 142           H        ASP 142  10.979 -17.804  -2.489
   79    HA   ASP 142           HA       ASP 142  10.625 -17.239  -5.355
   80    HB2  ASP 142           HB2      ASP 142  11.471 -19.491  -4.793
   81    HB3  ASP 142           HB1      ASP 142  10.039 -19.763  -3.803
   82    H    ILE 143           H        ILE 143   8.746 -16.514  -6.079
   83    HA   ILE 143           HA       ILE 143   6.276 -17.047  -4.666
   84    HB   ILE 143           HB       ILE 143   5.868 -14.405  -4.899
   85   HG12  ILE 143          2HG1      ILE 143   8.813 -14.754  -4.365
   86   HG13  ILE 143          1HG1      ILE 143   8.038 -13.735  -5.572
   87   HG21  ILE 143          1HG2      ILE 143   7.066 -15.810  -2.523
   88   HG22  ILE 143          2HG2      ILE 143   5.355 -15.689  -2.940
   89   HG23  ILE 143          3HG2      ILE 143   6.252 -14.244  -2.475
   90   HD11  ILE 143          3HD1      ILE 143   7.180 -12.302  -3.778
   91   HD12  ILE 143          1HD1      ILE 143   8.940 -12.401  -3.778
   92   HD13  ILE 143          2HD1      ILE 143   8.007 -13.318  -2.594
   93    H    ASP 144           H        ASP 144   5.081 -17.740  -6.301
   94    HA   ASP 144           HA       ASP 144   5.124 -16.782  -8.941
   95    HB2  ASP 144           HB2      ASP 144   4.010 -18.882  -8.360
   96    HB3  ASP 144           HB1      ASP 144   2.841 -18.010  -7.374
   97    H    THR 145           H        THR 145   2.628 -16.183  -6.480
   98    HA   THR 145           HA       THR 145   2.650 -13.340  -7.029
   99    HB   THR 145           HB       THR 145   0.100 -14.915  -7.465
  100    HG1  THR 145           HG1      THR 145   1.494 -15.208  -9.232
  101   HG21  THR 145          3HG2      THR 145   0.725 -11.985  -7.856
  102   HG22  THR 145          1HG2      THR 145  -0.266 -12.671  -6.568
  103   HG23  THR 145          2HG2      THR 145  -0.806 -12.772  -8.243
  104    HA   PRO 146           HA       PRO 146   1.710 -13.939  -2.602
  105    HB2  PRO 146           HB2      PRO 146   2.291 -11.053  -2.536
  106    HB3  PRO 146           HB1      PRO 146   3.016 -12.367  -1.606
  107    HG2  PRO 146           HG2      PRO 146   4.348 -11.087  -3.581
  108    HG3  PRO 146           HG1      PRO 146   4.620 -12.794  -3.192
  109    HD2  PRO 146           HD2      PRO 146   3.088 -11.581  -5.446
  110    HD3  PRO 146           HD1      PRO 146   4.083 -13.051  -5.417
  111    H    GLU 147           H        GLU 147  -0.087 -13.242  -1.398
  112    HA   GLU 147           HA       GLU 147  -2.127 -11.976  -3.089
  113    HB2  GLU 147           HB2      GLU 147  -3.744 -13.185  -1.586
  114    HB3  GLU 147           HB1      GLU 147  -2.733 -14.220  -2.584
  115    HG2  GLU 147           HG2      GLU 147  -1.241 -14.568  -0.644
  116    HG3  GLU 147           HG1      GLU 147  -2.354 -13.615   0.338
  117    H    VAL 148           H        VAL 148  -3.740 -10.656  -2.033
  118    HA   VAL 148           HA       VAL 148  -2.643  -9.234   0.296
  119    HB   VAL 148           HB       VAL 148  -2.791  -7.753  -1.601
  120   HG11  VAL 148          1HG1      VAL 148  -5.680  -8.581  -1.802
  121   HG12  VAL 148          2HG1      VAL 148  -4.393  -8.956  -2.949
  122   HG13  VAL 148          3HG1      VAL 148  -4.921  -7.287  -2.728
  123   HG21  VAL 148          3HG2      VAL 148  -5.110  -7.189   0.249
  124   HG22  VAL 148          1HG2      VAL 148  -4.239  -6.013  -0.735
  125   HG23  VAL 148          2HG2      VAL 148  -3.416  -6.828   0.596
  126    H    ASP 149           H        ASP 149  -3.772  -9.213   2.130
  127    HA   ASP 149           HA       ASP 149  -6.348 -10.550   2.209
  128    HB2  ASP 149           HB2      ASP 149  -4.531 -10.934   3.934
  129    HB3  ASP 149           HB1      ASP 149  -4.832  -9.297   4.509
  130    H    LEU 150           H        LEU 150  -8.231  -9.482   2.154
  131    HA   LEU 150           HA       LEU 150  -8.155  -6.573   2.581
  132    HB2  LEU 150           HB2      LEU 150  -9.986  -8.262   0.888
  133    HB3  LEU 150           HB1      LEU 150 -10.272  -6.562   1.217
  134    HG   LEU 150           HG       LEU 150  -7.774  -7.600  -0.114
  135   HD11  LEU 150          1HD1      LEU 150  -9.701  -8.108  -1.508
  136   HD12  LEU 150          2HD1      LEU 150  -8.744  -6.803  -2.206
  137   HD13  LEU 150          3HD1      LEU 150 -10.254  -6.438  -1.372
  138   HD21  LEU 150          3HD2      LEU 150  -8.952  -4.831   0.094
  139   HD22  LEU 150          1HD2      LEU 150  -7.476  -5.270  -0.767
  140   HD23  LEU 150          2HD2      LEU 150  -7.554  -5.427   0.989
  141    H    TYR 151           H        TYR 151  -8.811  -9.177   4.279
  142    HA   TYR 151           HA       TYR 151 -11.400  -8.321   5.348
  143    HB2  TYR 151           HB2      TYR 151 -10.556 -10.798   4.857
  144    HB3  TYR 151           HB1      TYR 151  -9.854 -10.627   6.462
  145    HD1  TYR 151           HD2      TYR 151 -11.291 -10.437   8.434
  146    HD2  TYR 151           HD1      TYR 151 -12.938 -10.929   4.544
  147    HE1  TYR 151           HE2      TYR 151 -13.459 -11.030   9.431
  148    HE2  TYR 151           HE1      TYR 151 -15.108 -11.527   5.528
  149    HH   TYR 151           HH       TYR 151 -15.966 -12.444   7.658
  150    H    GLN 152           H        GLN 152  -8.070  -8.069   5.860
  151    HA   GLN 152           HA       GLN 152  -8.045  -7.560   8.660
  152    HB2  GLN 152           HB2      GLN 152  -5.798  -6.584   8.184
  153    HB3  GLN 152           HB1      GLN 152  -6.007  -8.217   7.562
  154    HG2  GLN 152           HG2      GLN 152  -6.358  -7.342   5.338
  155    HG3  GLN 152           HG1      GLN 152  -6.262  -5.691   5.949
  156   HE21  GLN 152          1HE2      GLN 152  -4.645  -6.979   3.927
  157   HE22  GLN 152          2HE2      GLN 152  -3.007  -6.868   4.489
  158    H    LEU 153           H        LEU 153  -9.002  -5.714   5.951
  159    HA   LEU 153           HA       LEU 153  -8.344  -3.128   6.934
  160    HB2  LEU 153           HB2      LEU 153 -10.315  -4.011   4.833
  161    HB3  LEU 153           HB1      LEU 153  -9.920  -2.337   5.169
  162    HG   LEU 153           HG       LEU 153  -8.033  -4.443   4.117
  163   HD11  LEU 153          1HD1      LEU 153  -9.623  -3.600   2.464
  164   HD12  LEU 153          2HD1      LEU 153  -7.984  -3.049   2.120
  165   HD13  LEU 153          3HD1      LEU 153  -9.150  -1.945   2.849
  166   HD21  LEU 153          3HD2      LEU 153  -7.524  -1.541   4.759
  167   HD22  LEU 153          1HD2      LEU 153  -6.389  -2.644   3.980
  168   HD23  LEU 153          2HD2      LEU 153  -6.888  -2.926   5.648
  169    H    GLN 154           H        GLN 154  -9.795  -1.490   7.583
  170    HA   GLN 154           HA       GLN 154 -11.645  -2.332   9.571
  171    HB2  GLN 154           HB2      GLN 154 -11.343   0.422   8.362
  172    HB3  GLN 154           HB1      GLN 154 -12.069   0.027   9.914
  173    HG2  GLN 154           HG2      GLN 154  -9.906  -0.727  10.742
  174    HG3  GLN 154           HG1      GLN 154  -9.177  -0.351   9.183
  175   HE21  GLN 154          1HE2      GLN 154  -7.768   1.157   9.947
  176   HE22  GLN 154          2HE2      GLN 154  -8.262   2.691  10.592
  177    H    VAL 155           H        VAL 155 -13.911  -1.742   9.658
  178    HA   VAL 155           HA       VAL 155 -15.357  -2.569   7.373
  179    HB   VAL 155           HB       VAL 155 -16.416  -1.012   9.745
  180   HG11  VAL 155          1HG1      VAL 155 -18.562  -2.034   9.197
  181   HG12  VAL 155          2HG1      VAL 155 -17.837  -2.849   7.812
  182   HG13  VAL 155          3HG1      VAL 155 -17.954  -1.089   7.837
  183   HG21  VAL 155          3HG2      VAL 155 -16.989  -3.213  10.682
  184   HG22  VAL 155          1HG2      VAL 155 -15.251  -2.981  10.509
  185   HG23  VAL 155          2HG2      VAL 155 -16.124  -3.984   9.352
  186    H    ASN 156           H        ASN 156 -14.647   0.586   8.777
  187    HA   ASN 156           HA       ASN 156 -16.275   2.092   7.037
  188    HB2  ASN 156           HB2      ASN 156 -15.378   2.961   9.177
  189    HB3  ASN 156           HB1      ASN 156 -13.759   2.962   8.486
  190   HD21  ASN 156          1HD2      ASN 156 -16.905   4.447   8.423
  191   HD22  ASN 156          2HD2      ASN 156 -16.426   5.884   7.590
  192    H    THR 157           H        THR 157 -12.908   1.053   6.859
  193    HA   THR 157           HA       THR 157 -12.064   2.511   4.648
  194    HB   THR 157           HB       THR 157 -11.250  -0.324   5.313
  195    HG1  THR 157           HG1      THR 157  -9.714   0.641   6.676
  196   HG21  THR 157          3HG2      THR 157  -9.105   0.329   4.324
  197   HG22  THR 157          1HG2      THR 157  -9.764   1.919   3.941
  198   HG23  THR 157          2HG2      THR 157 -10.418   0.481   3.156
  199    H    LEU 158           H        LEU 158 -13.565  -0.703   4.783
  200    HA   LEU 158           HA       LEU 158 -13.572  -1.193   2.007
  201    HB2  LEU 158           HB2      LEU 158 -15.427  -2.249   4.143
  202    HB3  LEU 158           HB1      LEU 158 -15.241  -2.924   2.537
  203    HG   LEU 158           HG       LEU 158 -13.007  -2.782   4.562
  204   HD11  LEU 158          1HD1      LEU 158 -14.799  -5.097   3.846
  205   HD12  LEU 158          2HD1      LEU 158 -14.809  -4.212   5.373
  206   HD13  LEU 158          3HD1      LEU 158 -13.395  -5.162   4.911
  207   HD21  LEU 158          3HD2      LEU 158 -12.262  -2.875   2.243
  208   HD22  LEU 158          1HD2      LEU 158 -13.287  -4.282   1.960
  209   HD23  LEU 158          2HD2      LEU 158 -11.925  -4.394   3.076
  210    H    ARG 159           H        ARG 159 -15.967   0.230   4.179
  211    HA   ARG 159           HA       ARG 159 -18.015   0.575   2.257
  212    HB2  ARG 159           HB2      ARG 159 -17.444   2.005   4.856
  213    HB3  ARG 159           HB1      ARG 159 -18.903   2.258   3.905
  214    HG2  ARG 159           HG2      ARG 159 -19.663   0.071   4.288
  215    HG3  ARG 159           HG1      ARG 159 -18.086  -0.460   4.870
  216    HD2  ARG 159           HD2      ARG 159 -19.638  -0.195   6.717
  217    HD3  ARG 159           HD1      ARG 159 -18.327   0.976   6.835
  218    HE   ARG 159           HE       ARG 159 -20.507   2.143   5.483
  219   HH11  ARG 159          1HH1      ARG 159 -19.556   1.051   8.672
  220   HH12  ARG 159          2HH1      ARG 159 -20.575   2.174   9.515
  221   HH21  ARG 159          1HH2      ARG 159 -21.862   3.626   6.581
  222   HH22  ARG 159          2HH2      ARG 159 -21.891   3.645   8.316
  223    H    ARG 160           H        ARG 160 -15.257   2.493   3.203
  224    HA   ARG 160           HA       ARG 160 -15.958   4.884   1.869
  225    HB2  ARG 160           HB2      ARG 160 -14.171   4.478   3.667
  226    HB3  ARG 160           HB1      ARG 160 -13.148   3.919   2.354
  227    HG2  ARG 160           HG2      ARG 160 -13.198   6.066   1.306
  228    HG3  ARG 160           HG1      ARG 160 -14.410   6.648   2.453
  229    HD2  ARG 160           HD2      ARG 160 -12.761   6.227   4.276
  230    HD3  ARG 160           HD1      ARG 160 -11.562   5.864   3.042
  231    HE   ARG 160           HE       ARG 160 -11.763   8.164   2.291
  232   HH11  ARG 160          1HH1      ARG 160 -13.129   7.410   5.427
  233   HH12  ARG 160          2HH1      ARG 160 -12.986   9.037   6.025
  234   HH21  ARG 160          1HH2      ARG 160 -11.572  10.308   3.085
  235   HH22  ARG 160          2HH2      ARG 160 -12.118  10.677   4.690
  236    H    TYR 161           H        TYR 161 -13.907   2.122   0.928
  237    HA   TYR 161           HA       TYR 161 -13.276   2.841  -1.660
  238    HB2  TYR 161           HB2      TYR 161 -12.437   0.805  -0.549
  239    HB3  TYR 161           HB1      TYR 161 -14.041   0.089  -0.648
  240    HD1  TYR 161           HD1      TYR 161 -11.031   0.998  -2.517
  241    HD2  TYR 161           HD2      TYR 161 -14.896  -0.760  -2.764
  242    HE1  TYR 161           HE1      TYR 161 -10.463   0.072  -4.723
  243    HE2  TYR 161           HE2      TYR 161 -14.341  -1.691  -4.969
  244    HH   TYR 161           HH       TYR 161 -11.181  -1.777  -6.184
  245    H    LYS 162           H        LYS 162 -16.169   1.145  -0.519
  246    HA   LYS 162           HA       LYS 162 -17.444   0.792  -2.964
  247    HB2  LYS 162           HB2      LYS 162 -18.653   1.250  -0.238
  248    HB3  LYS 162           HB1      LYS 162 -19.536   0.654  -1.635
  249    HG2  LYS 162           HG2      LYS 162 -18.203  -1.342  -1.692
  250    HG3  LYS 162           HG1      LYS 162 -17.165  -0.725  -0.405
  251    HD2  LYS 162           HD2      LYS 162 -18.699  -2.297   0.547
  252    HD3  LYS 162           HD1      LYS 162 -19.144  -0.683   1.093
  253    HE2  LYS 162           HE2      LYS 162 -20.441  -1.972  -1.285
  254    HE3  LYS 162           HE1      LYS 162 -21.018  -2.260   0.352
  255    HZ1  LYS 162           HZ1      LYS 162 -21.329   0.169   0.577
  256    HZ2  LYS 162           HZ2      LYS 162 -22.292  -0.509  -0.644
  257    HZ3  LYS 162           HZ3      LYS 162 -20.896   0.360  -1.050
  258    H    ARG 163           H        ARG 163 -17.569   3.559  -0.751
  259    HA   ARG 163           HA       ARG 163 -19.584   4.916  -2.246
  260    HB2  ARG 163           HB2      ARG 163 -17.660   5.886  -0.147
  261    HB3  ARG 163           HB1      ARG 163 -18.896   6.897  -0.872
  262    HG2  ARG 163           HG2      ARG 163 -20.598   5.259  -0.045
  263    HG3  ARG 163           HG1      ARG 163 -19.295   4.473   0.853
  264    HD2  ARG 163           HD2      ARG 163 -20.557   6.090   2.227
  265    HD3  ARG 163           HD1      ARG 163 -18.852   6.516   2.069
  266    HE   ARG 163           HE       ARG 163 -20.971   7.780   0.440
  267   HH11  ARG 163          1HH1      ARG 163 -18.113   8.001   2.471
  268   HH12  ARG 163          2HH1      ARG 163 -17.899   9.701   2.184
  269   HH21  ARG 163          1HH2      ARG 163 -20.676  10.008   0.070
  270   HH22  ARG 163          2HH2      ARG 163 -19.341  10.838   0.815
  271    H    HIS 164           H        HIS 164 -16.054   5.247  -2.030
  272    HA   HIS 164           HA       HIS 164 -16.002   7.582  -3.672
  273    HB2  HIS 164           HB2      HIS 164 -14.271   6.723  -1.910
  274    HB3  HIS 164           HB1      HIS 164 -13.597   5.838  -3.276
  275    HD1  HIS 164           HD1      HIS 164 -12.751   7.363  -5.336
  276    HD2  HIS 164           HD2      HIS 164 -13.607   9.383  -1.799
  277    HE1  HIS 164           HE1      HIS 164 -11.669   9.618  -5.562
  278    HE2  HIS 164           HE2      HIS 164 -12.026  10.744  -3.341
  279    H    PHE 165           H        PHE 165 -15.696   4.138  -4.283
  280    HA   PHE 165           HA       PHE 165 -15.029   4.653  -7.075
  281    HB2  PHE 165           HB2      PHE 165 -15.076   2.195  -5.369
  282    HB3  PHE 165           HB1      PHE 165 -15.146   2.038  -7.122
  283    HD1  PHE 165           HD2      PHE 165 -13.120   3.402  -4.338
  284    HD2  PHE 165           HD1      PHE 165 -13.223   2.257  -8.435
  285    HE1  PHE 165           HE2      PHE 165 -10.676   3.645  -4.466
  286    HE2  PHE 165           HE1      PHE 165 -10.779   2.501  -8.567
  287    HZ   PHE 165           HZ       PHE 165  -9.504   3.195  -6.583
  288    H    LYS 166           H        LYS 166 -17.744   4.684  -5.321
  289    HA   LYS 166           HA       LYS 166 -19.956   4.676  -5.799
  290    HB2  LYS 166           HB2      LYS 166 -19.060   4.688  -8.686
  291    HB3  LYS 166           HB1      LYS 166 -20.633   5.186  -8.076
  292    HG2  LYS 166           HG2      LYS 166 -18.029   6.534  -7.393
  293    HG3  LYS 166           HG1      LYS 166 -19.147   7.076  -8.644
  294    HD2  LYS 166           HD2      LYS 166 -20.867   7.466  -7.000
  295    HD3  LYS 166           HD1      LYS 166 -19.855   6.780  -5.727
  296    HE2  LYS 166           HE2      LYS 166 -19.876   9.243  -5.694
  297    HE3  LYS 166           HE1      LYS 166 -18.266   8.582  -5.966
  298    HZ1  LYS 166           HZ1      LYS 166 -20.052   9.554  -8.128
  299    HZ2  LYS 166           HZ2      LYS 166 -18.427   9.090  -8.282
  300    HZ3  LYS 166           HZ3      LYS 166 -18.834  10.490  -7.409
  301    H    LEU 167           H        LEU 167 -19.867   2.435  -4.920
  302    HA   LEU 167           HA       LEU 167 -20.584   0.484  -7.014
  303    HB2  LEU 167           HB2      LEU 167 -19.505  -0.025  -4.238
  304    HB3  LEU 167           HB1      LEU 167 -19.960  -1.264  -5.393
  305    HG   LEU 167           HG       LEU 167 -17.715   0.726  -5.762
  306   HD11  LEU 167          1HD1      LEU 167 -17.658  -2.221  -5.127
  307   HD12  LEU 167          2HD1      LEU 167 -17.218  -0.911  -4.032
  308   HD13  LEU 167          3HD1      LEU 167 -16.253  -1.213  -5.477
  309   HD21  LEU 167          3HD2      LEU 167 -18.556  -1.635  -7.443
  310   HD22  LEU 167          1HD2      LEU 167 -17.130  -0.631  -7.708
  311   HD23  LEU 167          2HD2      LEU 167 -18.741   0.064  -7.876
  312    HA   PRO 168           HA       PRO 168 -24.626   1.059  -5.065
  313    HB2  PRO 168           HB2      PRO 168 -25.975  -0.403  -6.938
  314    HB3  PRO 168           HB1      PRO 168 -25.548   1.297  -7.155
  315    HG2  PRO 168           HG2      PRO 168 -24.195  -1.147  -8.213
  316    HG3  PRO 168           HG1      PRO 168 -24.506   0.400  -9.020
  317    HD2  PRO 168           HD2      PRO 168 -22.084  -0.255  -7.994
  318    HD3  PRO 168           HD1      PRO 168 -22.681   1.416  -8.040
  319    H    THR 169           H        THR 169 -25.321  -0.160  -3.432
  320    HA   THR 169           HA       THR 169 -25.063  -3.072  -3.615
  321    HB   THR 169           HB       THR 169 -24.268  -3.019  -1.184
  322    HG1  THR 169           HG1      THR 169 -24.415  -0.353  -1.718
  323   HG21  THR 169          3HG2      THR 169 -22.360  -1.899  -3.239
  324   HG22  THR 169          1HG2      THR 169 -22.860  -3.594  -3.166
  325   HG23  THR 169          2HG2      THR 169 -21.964  -2.882  -1.825
  326    H    ARG 170           H        ARG 170 -26.211  -4.162  -1.767
  327    HA   ARG 170           HA       ARG 170 -28.813  -2.854  -1.457
  328    HB2  ARG 170           HB2      ARG 170 -28.083  -5.764  -1.061
  329    HB3  ARG 170           HB1      ARG 170 -29.706  -5.087  -1.130
  330    HG2  ARG 170           HG2      ARG 170 -29.465  -4.553  -3.442
  331    HG3  ARG 170           HG1      ARG 170 -27.752  -4.972  -3.412
  332    HD2  ARG 170           HD2      ARG 170 -28.472  -7.308  -2.765
  333    HD3  ARG 170           HD1      ARG 170 -30.118  -6.811  -3.164
  334    HE   ARG 170           HE       ARG 170 -29.153  -6.257  -5.439
  335   HH11  ARG 170          1HH1      ARG 170 -27.838  -8.755  -3.371
  336   HH12  ARG 170          2HH1      ARG 170 -27.138  -9.658  -4.687
  337   HH21  ARG 170          1HH2      ARG 170 -28.249  -7.442  -7.179
  338   HH22  ARG 170          2HH2      ARG 170 -27.374  -8.908  -6.856
  339    HA   PRO 171           HA       PRO 171 -28.347  -2.243   2.894
  340    HB2  PRO 171           HB2      PRO 171 -31.143  -3.193   3.151
  341    HB3  PRO 171           HB1      PRO 171 -30.430  -1.650   3.634
  342    HG2  PRO 171           HG2      PRO 171 -32.024  -1.806   1.503
  343    HG3  PRO 171           HG1      PRO 171 -30.596  -0.755   1.498
  344    HD2  PRO 171           HD2      PRO 171 -30.976  -3.442   0.233
  345    HD3  PRO 171           HD1      PRO 171 -30.147  -2.002  -0.398
  346    H    GLY 172           H        GLY 172 -27.673  -3.438   4.579
  347    HA2  GLY 172           HA2      GLY 172 -27.944  -5.357   6.053
  348    HA3  GLY 172           HA1      GLY 172 -28.442  -6.292   4.648
  349    H    LEU 173           H        LEU 173 -25.754  -4.039   4.831
  350    HA   LEU 173           HA       LEU 173 -23.999  -6.074   3.745
  351    HB2  LEU 173           HB2      LEU 173 -23.560  -3.148   4.328
  352    HB3  LEU 173           HB1      LEU 173 -22.378  -4.204   3.573
  353    HG   LEU 173           HG       LEU 173 -25.102  -3.621   2.413
  354   HD11  LEU 173          1HD1      LEU 173 -23.855  -2.215   0.801
  355   HD12  LEU 173          2HD1      LEU 173 -22.417  -2.397   1.810
  356   HD13  LEU 173          3HD1      LEU 173 -23.842  -1.578   2.447
  357   HD21  LEU 173          3HD2      LEU 173 -22.649  -4.915   1.226
  358   HD22  LEU 173          1HD2      LEU 173 -24.168  -4.599   0.387
  359   HD23  LEU 173          2HD2      LEU 173 -24.119  -5.753   1.719
  360    H    ASN 174           H        ASN 174 -22.141  -6.825   4.681
  361    HA   ASN 174           HA       ASN 174 -21.566  -6.069   7.451
  362    HB2  ASN 174           HB2      ASN 174 -22.000  -8.891   6.454
  363    HB3  ASN 174           HB1      ASN 174 -21.167  -8.523   7.961
  364   HD21  ASN 174          1HD2      ASN 174 -24.196  -8.760   6.356
  365   HD22  ASN 174          2HD2      ASN 174 -25.197  -8.418   7.730
  366    H    LYS 175           H        LYS 175 -19.440  -7.392   8.089
  367    HA   LYS 175           HA       LYS 175 -17.378  -6.208   6.678
  368    HB2  LYS 175           HB2      LYS 175 -17.135  -6.986   8.961
  369    HB3  LYS 175           HB1      LYS 175 -17.313  -8.655   8.447
  370    HG2  LYS 175           HG2      LYS 175 -14.988  -8.044   8.949
  371    HG3  LYS 175           HG1      LYS 175 -15.209  -8.574   7.283
  372    HD2  LYS 175           HD2      LYS 175 -15.063  -6.359   6.459
  373    HD3  LYS 175           HD1      LYS 175 -15.203  -5.670   8.081
  374    HE2  LYS 175           HE2      LYS 175 -12.919  -7.408   7.170
  375    HE3  LYS 175           HE1      LYS 175 -12.894  -5.648   7.115
  376    HZ1  LYS 175           HZ1      LYS 175 -13.439  -7.100   9.636
  377    HZ2  LYS 175           HZ2      LYS 175 -12.907  -5.503   9.428
  378    HZ3  LYS 175           HZ3      LYS 175 -11.858  -6.792   9.119
  379    H    ALA 176           H        ALA 176 -18.275  -9.672   6.572
  380    HA   ALA 176           HA       ALA 176 -16.395 -10.411   4.625
  381    HB1  ALA 176           HB1      ALA 176 -19.086 -11.668   5.161
  382    HB2  ALA 176           HB2      ALA 176 -17.596 -12.013   6.040
  383    HB3  ALA 176           HB3      ALA 176 -17.726 -12.425   4.331
  384    H    GLN 177           H        GLN 177 -19.616  -9.079   4.330
  385    HA   GLN 177           HA       GLN 177 -19.990  -9.580   1.567
  386    HB2  GLN 177           HB2      GLN 177 -21.191  -7.391   3.277
  387    HB3  GLN 177           HB1      GLN 177 -21.791  -7.927   1.712
  388    HG2  GLN 177           HG2      GLN 177 -21.649  -9.668   4.162
  389    HG3  GLN 177           HG1      GLN 177 -23.079  -8.777   3.649
  390   HE21  GLN 177          1HE2      GLN 177 -24.294 -10.609   3.396
  391   HE22  GLN 177          2HE2      GLN 177 -24.041 -11.731   2.097
  392    H    LEU 178           H        LEU 178 -18.846  -6.776   3.388
  393    HA   LEU 178           HA       LEU 178 -18.467  -5.033   1.227
  394    HB2  LEU 178           HB2      LEU 178 -16.850  -5.155   3.773
  395    HB3  LEU 178           HB1      LEU 178 -17.007  -3.776   2.702
  396    HG   LEU 178           HG       LEU 178 -19.253  -4.972   4.325
  397   HD11  LEU 178          1HD1      LEU 178 -17.656  -2.444   4.713
  398   HD12  LEU 178          2HD1      LEU 178 -17.611  -3.881   5.737
  399   HD13  LEU 178          3HD1      LEU 178 -19.080  -2.911   5.642
  400   HD21  LEU 178          3HD2      LEU 178 -19.145  -2.488   2.622
  401   HD22  LEU 178          1HD2      LEU 178 -20.496  -2.974   3.647
  402   HD23  LEU 178          2HD2      LEU 178 -20.043  -3.962   2.259
  403    H    VAL 179           H        VAL 179 -16.239  -7.272   2.827
  404    HA   VAL 179           HA       VAL 179 -13.940  -6.653   1.369
  405    HB   VAL 179           HB       VAL 179 -14.683  -9.345   2.540
  406   HG11  VAL 179          1HG1      VAL 179 -12.290  -9.731   2.651
  407   HG12  VAL 179          2HG1      VAL 179 -11.989  -8.159   1.913
  408   HG13  VAL 179          3HG1      VAL 179 -12.788  -9.430   0.985
  409   HG21  VAL 179          3HG2      VAL 179 -14.822  -7.556   4.201
  410   HG22  VAL 179          1HG2      VAL 179 -13.188  -7.039   3.779
  411   HG23  VAL 179          2HG2      VAL 179 -13.450  -8.620   4.515
  412    H    GLU 180           H        GLU 180 -16.474  -9.061   0.725
  413    HA   GLU 180           HA       GLU 180 -15.353 -10.193  -1.577
  414    HB2  GLU 180           HB2      GLU 180 -18.036 -10.052  -0.365
  415    HB3  GLU 180           HB1      GLU 180 -18.007 -10.367  -2.094
  416    HG2  GLU 180           HG2      GLU 180 -16.513 -11.960  -0.028
  417    HG3  GLU 180           HG1      GLU 180 -18.064 -12.413  -0.736
  418    H    ILE 181           H        ILE 181 -17.557  -7.433  -1.236
  419    HA   ILE 181           HA       ILE 181 -17.806  -6.925  -4.009
  420    HB   ILE 181           HB       ILE 181 -18.146  -5.002  -1.696
  421   HG12  ILE 181          2HG1      ILE 181 -20.240  -6.612  -3.166
  422   HG13  ILE 181          1HG1      ILE 181 -19.533  -7.103  -1.631
  423   HG21  ILE 181          1HG2      ILE 181 -19.178  -4.855  -4.529
  424   HG22  ILE 181          2HG2      ILE 181 -17.903  -3.852  -3.839
  425   HG23  ILE 181          3HG2      ILE 181 -19.553  -3.718  -3.234
  426   HD11  ILE 181          3HD1      ILE 181 -21.141  -4.612  -2.136
  427   HD12  ILE 181          1HD1      ILE 181 -20.401  -5.059  -0.599
  428   HD13  ILE 181          2HD1      ILE 181 -21.680  -6.061  -1.284
  429    H    VAL 182           H        VAL 182 -15.740  -5.503  -1.495
  430    HA   VAL 182           HA       VAL 182 -14.415  -3.645  -3.122
  431    HB   VAL 182           HB       VAL 182 -13.436  -5.046  -0.627
  432   HG11  VAL 182          1HG1      VAL 182 -12.286  -2.631  -2.027
  433   HG12  VAL 182          2HG1      VAL 182 -11.531  -4.221  -1.908
  434   HG13  VAL 182          3HG1      VAL 182 -11.774  -3.248  -0.457
  435   HG21  VAL 182          3HG2      VAL 182 -14.029  -2.953   0.483
  436   HG22  VAL 182          1HG2      VAL 182 -15.430  -3.677  -0.306
  437   HG23  VAL 182          2HG2      VAL 182 -14.612  -2.302  -1.050
  438    H    GLY 183           H        GLY 183 -13.499  -6.968  -2.215
  439    HA2  GLY 183           HA2      GLY 183 -11.075  -7.051  -3.635
  440    HA3  GLY 183           HA1      GLY 183 -12.031  -8.449  -3.164
  441    H    CYS 184           H        CYS 184 -14.360  -7.904  -4.597
  442    HA   CYS 184           HA       CYS 184 -13.854  -9.013  -7.080
  443    HB2  CYS 184           HB2      CYS 184 -16.068  -9.042  -6.088
  444    HB3  CYS 184           HB1      CYS 184 -16.174  -7.289  -6.190
  445    HG   CYS 184           HG       CYS 184 -16.126  -9.438  -8.859
  446    H    HIS 185           H        HIS 185 -14.372  -5.584  -6.257
  447    HA   HIS 185           HA       HIS 185 -13.883  -4.804  -9.003
  448    HB2  HIS 185           HB2      HIS 185 -15.540  -3.665  -7.459
  449    HB3  HIS 185           HB1      HIS 185 -14.158  -2.986  -6.607
  450    HD1  HIS 185           HD1      HIS 185 -13.062  -0.943  -7.613
  451    HD2  HIS 185           HD2      HIS 185 -15.857  -2.700 -10.144
  452    HE1  HIS 185           HE1      HIS 185 -13.369   0.677  -9.521
  453    HE2  HIS 185           HE2      HIS 185 -15.120  -0.373 -11.007
  454    H    PHE 186           H        PHE 186 -12.072  -5.114  -6.084
  455    HA   PHE 186           HA       PHE 186  -9.989  -3.288  -6.566
  456    HB2  PHE 186           HB2      PHE 186 -10.573  -4.450  -4.400
  457    HB3  PHE 186           HB1      PHE 186  -9.815  -5.895  -5.052
  458    HD1  PHE 186           HD1      PHE 186  -9.050  -2.291  -4.524
  459    HD2  PHE 186           HD2      PHE 186  -7.644  -6.303  -4.483
  460    HE1  PHE 186           HE1      PHE 186  -6.891  -1.521  -3.657
  461    HE2  PHE 186           HE2      PHE 186  -5.476  -5.538  -3.619
  462    HZ   PHE 186           HZ       PHE 186  -5.092  -3.142  -3.203
  463    H    LYS 187           H        LYS 187 -10.444  -6.675  -7.440
  464    HA   LYS 187           HA       LYS 187  -7.817  -6.998  -8.538
  465    HB2  LYS 187           HB2      LYS 187 -10.330  -8.644  -8.848
  466    HB3  LYS 187           HB1      LYS 187  -8.759  -9.115  -9.480
  467    HG2  LYS 187           HG2      LYS 187  -7.861  -9.107  -7.183
  468    HG3  LYS 187           HG1      LYS 187  -9.474  -8.714  -6.582
  469    HD2  LYS 187           HD2      LYS 187  -9.038 -11.106  -6.392
  470    HD3  LYS 187           HD1      LYS 187 -10.338 -10.797  -7.545
  471    HE2  LYS 187           HE2      LYS 187  -8.737 -11.026  -9.393
  472    HE3  LYS 187           HE1      LYS 187  -7.453 -11.356  -8.230
  473    HZ1  LYS 187           HZ1      LYS 187  -8.295 -13.395  -9.165
  474    HZ2  LYS 187           HZ2      LYS 187  -9.875 -13.024  -8.678
  475    HZ3  LYS 187           HZ3      LYS 187  -8.676 -13.331  -7.516
  476    H    SER 188           H        SER 188 -10.120  -5.030  -9.611
  477    HA   SER 188           HA       SER 188  -9.409  -5.473 -12.423
  478    HB2  SER 188           HB2      SER 188 -11.796  -4.734 -12.972
  479    HB3  SER 188           HB1      SER 188 -11.605  -6.355 -12.304
  480    HG   SER 188           HG       SER 188 -11.970  -4.339 -10.446
  481    H    ILE 189           H        ILE 189  -8.530  -3.543 -10.258
  482    HA   ILE 189           HA       ILE 189  -9.476  -0.993 -11.280
  483    HB   ILE 189           HB       ILE 189  -7.357  -1.584  -9.208
  484   HG12  ILE 189          2HG1      ILE 189 -10.215  -0.638  -8.884
  485   HG13  ILE 189          1HG1      ILE 189  -9.623  -2.255  -8.511
  486   HG21  ILE 189          1HG2      ILE 189  -7.578   0.805  -8.625
  487   HG22  ILE 189          2HG2      ILE 189  -8.626   1.024 -10.027
  488   HG23  ILE 189          3HG2      ILE 189  -6.942   0.553 -10.252
  489   HD11  ILE 189          3HD1      ILE 189  -9.871  -0.915  -6.503
  490   HD12  ILE 189          1HD1      ILE 189  -8.767   0.293  -7.160
  491   HD13  ILE 189          2HD1      ILE 189  -8.178  -1.325  -6.778
  492    HA   PRO 190           HA       PRO 190  -6.159  -0.923 -14.338
  493    HB2  PRO 190           HB2      PRO 190  -7.271   1.743 -14.902
  494    HB3  PRO 190           HB1      PRO 190  -7.108   0.350 -15.975
  495    HG2  PRO 190           HG2      PRO 190  -9.504   1.174 -15.068
  496    HG3  PRO 190           HG1      PRO 190  -9.143  -0.540 -15.346
  497    HD2  PRO 190           HD2      PRO 190  -9.203   0.994 -12.774
  498    HD3  PRO 190           HD1      PRO 190  -9.802  -0.641 -13.126
  499    H    VAL 191           H        VAL 191  -4.145  -0.347 -13.776
  500    HA   VAL 191           HA       VAL 191  -3.757   2.192 -12.358
  501    HB   VAL 191           HB       VAL 191  -3.864   0.258 -10.756
  502   HG11  VAL 191          1HG1      VAL 191  -2.799  -1.424 -12.156
  503   HG12  VAL 191          2HG1      VAL 191  -1.974  -1.259 -10.607
  504   HG13  VAL 191          3HG1      VAL 191  -1.273  -0.548 -12.060
  505   HG21  VAL 191          3HG2      VAL 191  -2.736   2.320 -10.154
  506   HG22  VAL 191          1HG2      VAL 191  -1.241   1.732 -10.884
  507   HG23  VAL 191          2HG2      VAL 191  -1.908   0.924  -9.463
  508    H    ASN 192           H        ASN 192  -1.741   3.177 -12.654
  509    HA   ASN 192           HA       ASN 192  -0.092   2.010 -14.802
  510    HB2  ASN 192           HB2      ASN 192  -1.264   3.980 -15.640
  511    HB3  ASN 192           HB1      ASN 192  -0.685   4.933 -14.276
  512   HD21  ASN 192          1HD2      ASN 192   0.192   3.385 -17.271
  513   HD22  ASN 192          2HD2      ASN 192   1.701   4.207 -17.477
  514    H    GLU 193           H        GLU 193   1.872   1.503 -14.192
  515    HA   GLU 193           HA       GLU 193   2.776   1.595 -11.610
  516    HB2  GLU 193           HB2      GLU 193   3.660   0.119 -13.363
  517    HB3  GLU 193           HB1      GLU 193   4.467   1.488 -14.110
  518    HG2  GLU 193           HG2      GLU 193   5.904   1.749 -12.198
  519    HG3  GLU 193           HG1      GLU 193   5.029   0.491 -11.327
  520    H    LYS 194           H        LYS 194   3.962   3.751 -14.216
  521    HA   LYS 194           HA       LYS 194   5.748   5.110 -12.508
  522    HB2  LYS 194           HB2      LYS 194   5.764   4.952 -15.061
  523    HB3  LYS 194           HB1      LYS 194   4.630   6.293 -15.030
  524    HG2  LYS 194           HG2      LYS 194   7.319   6.409 -13.686
  525    HG3  LYS 194           HG1      LYS 194   7.079   6.859 -15.372
  526    HD2  LYS 194           HD2      LYS 194   5.552   8.103 -13.090
  527    HD3  LYS 194           HD1      LYS 194   7.065   8.758 -13.716
  528    HE2  LYS 194           HE2      LYS 194   6.049   9.009 -15.921
  529    HE3  LYS 194           HE1      LYS 194   4.540   8.334 -15.311
  530    HZ1  LYS 194           HZ1      LYS 194   5.733  10.726 -14.058
  531    HZ2  LYS 194           HZ2      LYS 194   4.113  10.216 -14.047
  532    HZ3  LYS 194           HZ3      LYS 194   4.791  10.867 -15.458
  533    H    ASP 195           H        ASP 195   2.528   6.013 -13.724
  534    HA   ASP 195           HA       ASP 195   2.498   8.577 -12.546
  535    HB2  ASP 195           HB2      ASP 195   0.980   8.025 -14.357
  536    HB3  ASP 195           HB1      ASP 195   0.197   6.799 -13.368
  537    H    THR 196           H        THR 196   1.193   5.480 -11.447
  538    HA   THR 196           HA       THR 196  -0.090   6.468  -9.158
  539    HB   THR 196           HB       THR 196   0.990   3.702  -9.708
  540    HG1  THR 196           HG1      THR 196  -1.388   5.086 -10.362
  541   HG21  THR 196          3HG2      THR 196  -1.105   4.610  -7.731
  542   HG22  THR 196          1HG2      THR 196   0.519   4.056  -7.324
  543   HG23  THR 196          2HG2      THR 196  -0.635   2.941  -8.055
  544    H    LEU 197           H        LEU 197   3.186   5.130  -9.612
  545    HA   LEU 197           HA       LEU 197   4.006   5.303  -6.932
  546    HB2  LEU 197           HB2      LEU 197   5.615   5.637  -9.464
  547    HB3  LEU 197           HB1      LEU 197   6.318   5.518  -7.866
  548    HG   LEU 197           HG       LEU 197   4.776   3.375  -9.321
  549   HD11  LEU 197          1HD1      LEU 197   7.055   3.679 -10.104
  550   HD12  LEU 197          2HD1      LEU 197   6.908   2.169  -9.202
  551   HD13  LEU 197          3HD1      LEU 197   7.652   3.580  -8.448
  552   HD21  LEU 197          3HD2      LEU 197   4.250   3.343  -6.934
  553   HD22  LEU 197          1HD2      LEU 197   5.971   3.326  -6.554
  554   HD23  LEU 197          2HD2      LEU 197   5.240   1.957  -7.392
  555    H    THR 198           H        THR 198   4.152   7.650  -9.568
  556    HA   THR 198           HA       THR 198   5.487   9.703  -8.221
  557    HB   THR 198           HB       THR 198   3.397   9.988 -10.393
  558    HG1  THR 198           HG1      THR 198   5.008   8.650 -11.155
  559   HG21  THR 198          3HG2      THR 198   3.949  12.111  -9.307
  560   HG22  THR 198          1HG2      THR 198   4.592  12.057 -10.948
  561   HG23  THR 198          2HG2      THR 198   5.666  11.807  -9.572
  562    H    CYS 199           H        CYS 199   2.000   9.080  -8.582
  563    HA   CYS 199           HA       CYS 199   1.024  11.237  -7.112
  564    HB2  CYS 199           HB2      CYS 199  -0.120   8.436  -7.253
  565    HB3  CYS 199           HB1      CYS 199  -0.994   9.889  -6.770
  566    HG   CYS 199           HG       CYS 199   0.197   9.155  -9.888
  567    H    PHE 200           H        PHE 200   1.726   7.934  -6.009
  568    HA   PHE 200           HA       PHE 200   1.049   8.288  -3.332
  569    HB2  PHE 200           HB2      PHE 200   1.373   6.078  -4.240
  570    HB3  PHE 200           HB1      PHE 200   3.063   6.426  -4.610
  571    HD1  PHE 200           HD1      PHE 200   0.703   6.236  -1.733
  572    HD2  PHE 200           HD2      PHE 200   4.698   5.796  -3.127
  573    HE1  PHE 200           HE1      PHE 200   1.367   5.342   0.458
  574    HE2  PHE 200           HE2      PHE 200   5.370   4.899  -0.937
  575    HZ   PHE 200           HZ       PHE 200   3.701   4.670   0.860
  576    H    ILE 201           H        ILE 201   4.266   8.524  -4.852
  577    HA   ILE 201           HA       ILE 201   5.714   9.001  -2.535
  578    HB   ILE 201           HB       ILE 201   6.277   9.933  -5.351
  579   HG12  ILE 201          2HG1      ILE 201   7.330   7.596  -3.741
  580   HG13  ILE 201          1HG1      ILE 201   6.133   7.492  -5.026
  581   HG21  ILE 201          1HG2      ILE 201   8.608  10.215  -4.622
  582   HG22  ILE 201          2HG2      ILE 201   8.114   9.898  -2.959
  583   HG23  ILE 201          3HG2      ILE 201   7.513  11.326  -3.801
  584   HD11  ILE 201          3HD1      ILE 201   7.810   8.309  -6.619
  585   HD12  ILE 201          1HD1      ILE 201   8.290   6.805  -5.833
  586   HD13  ILE 201          2HD1      ILE 201   9.003   8.334  -5.320
  587    H    TYR 202           H        TYR 202   4.355  11.413  -4.806
  588    HA   TYR 202           HA       TYR 202   5.306  13.607  -3.263
  589    HB2  TYR 202           HB2      TYR 202   3.402  13.382  -5.572
  590    HB3  TYR 202           HB1      TYR 202   3.627  14.915  -4.734
  591    HD1  TYR 202           HD1      TYR 202   6.318  15.326  -4.269
  592    HD2  TYR 202           HD2      TYR 202   4.598  13.215  -7.536
  593    HE1  TYR 202           HE1      TYR 202   8.323  15.789  -5.613
  594    HE2  TYR 202           HE2      TYR 202   6.601  13.666  -8.890
  595    HH   TYR 202           HH       TYR 202   8.436  15.395  -8.931
  596    H    SER 203           H        SER 203   2.390  11.710  -3.138
  597    HA   SER 203           HA       SER 203   0.886  13.611  -1.636
  598    HB2  SER 203           HB2      SER 203   0.555  10.604  -1.820
  599    HB3  SER 203           HB1      SER 203  -0.618  11.723  -1.131
  600    HG   SER 203           HG       SER 203   0.241  11.521  -3.824
  601    H    VAL 204           H        VAL 204   2.893  10.806  -0.761
  602    HA   VAL 204           HA       VAL 204   2.280  11.072   2.029
  603    HB   VAL 204           HB       VAL 204   4.506   9.457   0.780
  604   HG11  VAL 204          1HG1      VAL 204   4.271   8.063   2.788
  605   HG12  VAL 204          2HG1      VAL 204   3.064   9.185   3.415
  606   HG13  VAL 204          3HG1      VAL 204   4.730   9.720   3.186
  607   HG21  VAL 204          3HG2      VAL 204   2.930   7.577   0.827
  608   HG22  VAL 204          1HG2      VAL 204   2.397   8.865  -0.254
  609   HG23  VAL 204          2HG2      VAL 204   1.649   8.678   1.332
  610    H    ARG 205           H        ARG 205   4.949  12.072  -0.067
  611    HA   ARG 205           HA       ARG 205   6.689  12.887   2.006
  612    HB2  ARG 205           HB2      ARG 205   6.471  13.695  -0.884
  613    HB3  ARG 205           HB1      ARG 205   7.669  14.409   0.187
  614    HG2  ARG 205           HG2      ARG 205   8.575  12.173   0.638
  615    HG3  ARG 205           HG1      ARG 205   7.398  11.486  -0.481
  616    HD2  ARG 205           HD2      ARG 205   9.550  11.748  -1.565
  617    HD3  ARG 205           HD1      ARG 205   8.358  12.818  -2.298
  618    HE   ARG 205           HE       ARG 205   9.411  14.574  -0.755
  619   HH11  ARG 205          1HH1      ARG 205  11.201  11.858  -2.095
  620   HH12  ARG 205          2HH1      ARG 205  12.686  12.757  -2.212
  621   HH21  ARG 205          1HH2      ARG 205  11.373  15.722  -0.890
  622   HH22  ARG 205          2HH2      ARG 205  12.790  14.944  -1.533
  623    H    ASN 206           H        ASN 206   4.208  14.649   0.180
  624    HA   ASN 206           HA       ASN 206   4.670  16.996   1.865
  625    HB2  ASN 206           HB2      ASN 206   2.885  16.640  -0.556
  626    HB3  ASN 206           HB1      ASN 206   3.094  18.147   0.331
  627   HD21  ASN 206          1HD2      ASN 206   5.951  17.744   0.768
  628   HD22  ASN 206          2HD2      ASN 206   6.712  18.025  -0.763
  629    H    ASP 207           H        ASP 207   3.867  16.046   3.787
  630    HA   ASP 207           HA       ASP 207   2.351  15.678   5.427
  631    HB2  ASP 207           HB2      ASP 207   1.224  17.716   4.802
  632    HB3  ASP 207           HB1      ASP 207   0.419  16.900   3.469
  633    H    LYS 208           H        LYS 208   1.532  13.812   6.088
  634    HA   LYS 208           HA       LYS 208   1.190  11.792   4.033
  635    HB2  LYS 208           HB2      LYS 208   1.533  11.608   7.022
  636    HB3  LYS 208           HB1      LYS 208   1.294  10.209   5.988
  637    HG2  LYS 208           HG2      LYS 208   3.605  10.333   6.346
  638    HG3  LYS 208           HG1      LYS 208   3.358  10.975   4.722
  639    HD2  LYS 208           HD2      LYS 208   3.441  13.267   5.659
  640    HD3  LYS 208           HD1      LYS 208   3.790  12.573   7.247
  641    HE2  LYS 208           HE2      LYS 208   5.485  12.348   4.759
  642    HE3  LYS 208           HE1      LYS 208   5.844  13.308   6.193
  643    HZ1  LYS 208           HZ1      LYS 208   5.719  10.343   6.032
  644    HZ2  LYS 208           HZ2      LYS 208   5.918  11.215   7.474
  645    HZ3  LYS 208           HZ3      LYS 208   7.104  11.292   6.263
  646    H    ASN 209           H        ASN 209  -0.969  13.773   4.788
  647    HA   ASN 209           HA       ASN 209  -3.232  13.820   4.900
  648    HB2  ASN 209           HB2      ASN 209  -3.145  12.042   3.181
  649    HB3  ASN 209           HB1      ASN 209  -3.070  10.826   4.451
  650   HD21  ASN 209          1HD2      ASN 209  -5.070  13.141   2.811
  651   HD22  ASN 209          2HD2      ASN 209  -6.590  12.561   3.414
  652    H    LYS 210           H        LYS 210  -3.391  14.478   6.990
  653    HA   LYS 210           HA       LYS 210  -3.918  12.353   8.950
  654    HB2  LYS 210           HB2      LYS 210  -2.939  14.010  10.664
  655    HB3  LYS 210           HB1      LYS 210  -1.823  13.106   9.651
  656    HG2  LYS 210           HG2      LYS 210  -1.613  15.054   8.168
  657    HG3  LYS 210           HG1      LYS 210  -2.698  15.955   9.225
  658    HD2  LYS 210           HD2      LYS 210  -0.226  14.696  10.337
  659    HD3  LYS 210           HD1      LYS 210  -0.120  16.226   9.468
  660    HE2  LYS 210           HE2      LYS 210  -0.304  16.682  11.819
  661    HE3  LYS 210           HE1      LYS 210  -1.798  17.175  11.028
  662    HZ1  LYS 210           HZ1      LYS 210  -2.095  15.971  13.164
  663    HZ2  LYS 210           HZ2      LYS 210  -1.468  14.581  12.431
  664    HZ3  LYS 210           HZ3      LYS 210  -2.909  15.264  11.861
  665    H    SER 211           H        SER 211  -6.131  12.629   8.457
  666    HA   SER 211           HA       SER 211  -7.502  15.052   9.088
  667    HB2  SER 211           HB2      SER 211  -9.502  13.405   9.167
  668    HB3  SER 211           HB1      SER 211  -8.665  13.611   7.626
  669    HG   SER 211           HG       SER 211  -8.327  11.545   7.690
  670    H    ASP 212           H        ASP 212  -6.517  12.187  10.776
  671    HA   ASP 212           HA       ASP 212  -6.050  11.803  12.945
  672    HB2  ASP 212           HB2      ASP 212  -6.899  14.668  13.342
  673    HB3  ASP 212           HB1      ASP 212  -6.277  13.643  14.631
  674    H    LEU 213           H        LEU 213  -9.171  13.241  12.273
  675    HA   LEU 213           HA       LEU 213 -11.256  12.863  13.037
  676    HB2  LEU 213           HB2      LEU 213 -10.002  10.247  13.804
  677    HB3  LEU 213           HB1      LEU 213 -11.717  10.568  13.962
  678    HG   LEU 213           HG       LEU 213 -10.142  10.554  11.385
  679   HD11  LEU 213          1HD1      LEU 213 -10.463   8.324  12.284
  680   HD12  LEU 213          2HD1      LEU 213 -11.477   8.567  10.861
  681   HD13  LEU 213          3HD1      LEU 213 -12.190   8.630  12.474
  682   HD21  LEU 213          3HD2      LEU 213 -11.952  12.184  11.312
  683   HD22  LEU 213          1HD2      LEU 213 -13.092  10.959  11.866
  684   HD23  LEU 213          2HD2      LEU 213 -12.321  10.795  10.290
  685    H    LYS 214           H        LYS 214 -11.484  14.398  14.544
  686    HA   LYS 214           HA       LYS 214 -10.839  13.669  17.324
  687    HB2  LYS 214           HB2      LYS 214 -10.309  16.058  17.727
  688    HB3  LYS 214           HB1      LYS 214  -9.215  15.300  16.582
  689    HG2  LYS 214           HG2      LYS 214 -10.498  16.306  14.730
  690    HG3  LYS 214           HG1      LYS 214 -11.515  17.125  15.916
  691    HD2  LYS 214           HD2      LYS 214  -9.822  18.649  15.117
  692    HD3  LYS 214           HD1      LYS 214  -9.501  18.255  16.806
  693    HE2  LYS 214           HE2      LYS 214  -7.785  16.673  16.138
  694    HE3  LYS 214           HE1      LYS 214  -8.152  16.959  14.437
  695    HZ1  LYS 214           HZ1      LYS 214  -7.055  18.955  16.351
  696    HZ2  LYS 214           HZ2      LYS 214  -7.457  19.272  14.733
  697    HZ3  LYS 214           HZ3      LYS 214  -6.204  18.193  15.094
  698    H    ALA 215           H        ALA 215 -13.263  14.263  15.209
  699    HA   ALA 215           HA       ALA 215 -14.911  15.832  17.025
  700    HB1  ALA 215           HB1      ALA 215 -16.554  15.883  15.251
  701    HB2  ALA 215           HB2      ALA 215 -15.626  14.708  14.321
  702    HB3  ALA 215           HB3      ALA 215 -14.969  16.319  14.608
  703    H    ASP 216           H        ASP 216 -14.989  14.275  18.716
  704    HA   ASP 216           HA       ASP 216 -16.733  11.972  18.142
  705    HB2  ASP 216           HB2      ASP 216 -15.841  10.887  20.091
  706    HB3  ASP 216           HB1      ASP 216 -14.483  11.470  19.139
  707    H    SER 217           H        SER 217 -16.490  14.970  19.762
  708    HA   SER 217           HA       SER 217 -18.919  14.403  21.315
  709    HB2  SER 217           HB2      SER 217 -16.951  15.202  22.607
  710    HB3  SER 217           HB1      SER 217 -16.935  16.673  21.637
  711    HG   SER 217           HG       SER 217 -18.480  16.020  23.786
  712    H    GLY 218           H        GLY 218 -20.757  15.538  20.944
  713    HA2  GLY 218           HA2      GLY 218 -21.003  18.043  19.780
  714    HA3  GLY 218           HA1      GLY 218 -21.039  16.888  18.456
  715    H    VAL 219           H        VAL 219 -22.332  14.954  20.515
  716    HA   VAL 219           HA       VAL 219 -25.040  16.090  20.256
  717    HB   VAL 219           HB       VAL 219 -25.873  13.755  20.012
  718   HG11  VAL 219          1HG1      VAL 219 -25.202  13.503  17.665
  719   HG12  VAL 219          2HG1      VAL 219 -23.907  14.673  17.917
  720   HG13  VAL 219          3HG1      VAL 219 -25.591  15.178  18.059
  721   HG21  VAL 219          3HG2      VAL 219 -24.278  11.999  19.368
  722   HG22  VAL 219          1HG2      VAL 219 -24.004  12.567  21.015
  723   HG23  VAL 219          2HG2      VAL 219 -22.943  13.100  19.712
  724    H    HIS 220           H        HIS 220 -26.560  15.586  21.863
  725    HA   HIS 220           HA       HIS 220 -25.860  14.025  24.162
  726    HB2  HIS 220           HB2      HIS 220 -24.598  16.161  24.572
  727    HB3  HIS 220           HB1      HIS 220 -26.133  17.019  24.546
  728    HD1  HIS 220           HD1      HIS 220 -27.289  17.255  26.727
  729    HD2  HIS 220           HD2      HIS 220 -24.469  14.199  26.770
  730    HE1  HIS 220           HE1      HIS 220 -27.164  16.481  29.116
  731    HE2  HIS 220           HE2      HIS 220 -25.312  14.775  29.150
  732    H1   SER 454           HT1      SER 454  23.769   3.596  -8.872
  733    H2   SER 454           HT2      SER 454  22.431   4.169  -9.735
  734    H3   SER 454           HT3      SER 454  22.487   4.338  -8.048
  735    HA   SER 454           HA       SER 454  24.214   5.674 -10.042
  736    HB2  SER 454           HB2      SER 454  21.889   6.566  -9.768
  737    HB3  SER 454           HB1      SER 454  22.239   6.843  -8.063
  738    HG   SER 454           HG       SER 454  23.456   8.520  -8.561
  739    H    ASN 455           H        ASN 455  26.166   6.153  -9.366
  740    HA   ASN 455           HA       ASN 455  27.037   5.644  -6.695
  741    HB2  ASN 455           HB2      ASN 455  28.387   6.997  -9.040
  742    HB3  ASN 455           HB1      ASN 455  29.188   6.674  -7.506
  743   HD21  ASN 455          1HD2      ASN 455  29.667   5.705 -10.257
  744   HD22  ASN 455          2HD2      ASN 455  29.676   3.975 -10.128
  745    H    ALA 456           H        ALA 456  26.561   8.595  -8.613
  746    HA   ALA 456           HA       ALA 456  27.033  10.261  -6.281
  747    HB1  ALA 456           HB1      ALA 456  26.240  11.009  -9.096
  748    HB2  ALA 456           HB2      ALA 456  27.879  10.999  -8.446
  749    HB3  ALA 456           HB3      ALA 456  26.689  12.139  -7.818
  750    H    SER 457           H        SER 457  25.484  11.772  -5.490
  751    HA   SER 457           HA       SER 457  22.697  10.902  -5.910
  752    HB2  SER 457           HB2      SER 457  23.650  10.359  -3.655
  753    HB3  SER 457           HB1      SER 457  23.868  12.087  -3.382
  754    HG   SER 457           HG       SER 457  21.761  10.733  -2.801
  755    H    LYS 458           H        LYS 458  21.088  12.590  -5.553
  756    HA   LYS 458           HA       LYS 458  22.048  15.119  -6.654
  757    HB2  LYS 458           HB2      LYS 458  19.295  13.889  -6.525
  758    HB3  LYS 458           HB1      LYS 458  19.598  15.520  -7.108
  759    HG2  LYS 458           HG2      LYS 458  20.926  14.700  -8.922
  760    HG3  LYS 458           HG1      LYS 458  20.868  13.058  -8.281
  761    HD2  LYS 458           HD2      LYS 458  18.506  12.915  -8.714
  762    HD3  LYS 458           HD1      LYS 458  18.451  14.614  -9.194
  763    HE2  LYS 458           HE2      LYS 458  19.826  14.169 -11.115
  764    HE3  LYS 458           HE1      LYS 458  20.090  12.506 -10.595
  765    HZ1  LYS 458           HZ1      LYS 458  18.370  12.906 -12.392
  766    HZ2  LYS 458           HZ2      LYS 458  17.376  13.536 -11.168
  767    HZ3  LYS 458           HZ3      LYS 458  17.907  11.925 -11.090
  768    H    HIS 459           H        HIS 459  19.835  13.951  -4.109
  769    HA   HIS 459           HA       HIS 459  20.499  16.364  -2.575
  770    HB2  HIS 459           HB2      HIS 459  17.735  15.354  -3.222
  771    HB3  HIS 459           HB1      HIS 459  18.040  16.344  -1.799
  772    HD1  HIS 459           HD1      HIS 459  18.079  18.803  -2.122
  773    HD2  HIS 459           HD2      HIS 459  18.344  16.738  -5.724
  774    HE1  HIS 459           HE1      HIS 459  17.925  20.551  -3.925
  775    HE2  HIS 459           HE2      HIS 459  17.876  19.258  -6.084
  776    H    GLY 460           H        GLY 460  20.668  13.134  -2.610
  777    HA2  GLY 460           HA2      GLY 460  21.099  11.617  -0.924
  778    HA3  GLY 460           HA1      GLY 460  20.840  12.901   0.247
  779    H    VAL 461           H        VAL 461  18.329  13.673  -0.056
  780    HA   VAL 461           HA       VAL 461  16.756  11.449   0.845
  781    HB   VAL 461           HB       VAL 461  15.827  14.242   0.141
  782   HG11  VAL 461          1HG1      VAL 461  14.588  12.111   1.879
  783   HG12  VAL 461          2HG1      VAL 461  13.995  12.667   0.314
  784   HG13  VAL 461          3HG1      VAL 461  13.985  13.758   1.700
  785   HG21  VAL 461          3HG2      VAL 461  16.037  14.724   2.556
  786   HG22  VAL 461          1HG2      VAL 461  17.591  14.394   1.788
  787   HG23  VAL 461          2HG2      VAL 461  16.816  13.158   2.777
  788    H    GLY 462           H        GLY 462  15.216  10.332  -0.259
  789    HA2  GLY 462           HA2      GLY 462  13.656  10.478  -2.253
  790    HA3  GLY 462           HA1      GLY 462  15.116  10.853  -3.160
  791    H    THR 463           H        THR 463  14.766   8.511  -0.548
  792    HA   THR 463           HA       THR 463  15.997   6.483  -2.190
  793    HB   THR 463           HB       THR 463  15.743   5.056  -0.116
  794    HG1  THR 463           HG1      THR 463  15.406   6.822   1.744
  795   HG21  THR 463          3HG2      THR 463  17.807   6.273  -0.619
  796   HG22  THR 463          1HG2      THR 463  17.500   6.230   1.119
  797   HG23  THR 463          2HG2      THR 463  17.170   7.699   0.200
  798    H    GLU 464           H        GLU 464  12.946   7.602  -2.039
  799    HA   GLU 464           HA       GLU 464  11.267   5.405  -1.918
  800    HB2  GLU 464           HB2      GLU 464  11.092   7.782  -3.783
  801    HB3  GLU 464           HB1      GLU 464   9.790   6.639  -3.501
  802    HG2  GLU 464           HG2      GLU 464   9.203   8.364  -2.116
  803    HG3  GLU 464           HG1      GLU 464  10.085   7.310  -1.014
  804    H    SER 465           H        SER 465  13.150   6.612  -4.660
  805    HA   SER 465           HA       SER 465  12.263   4.767  -6.574
  806    HB2  SER 465           HB2      SER 465  13.585   6.835  -7.066
  807    HB3  SER 465           HB1      SER 465  15.009   6.040  -6.398
  808    HG   SER 465           HG       SER 465  15.078   4.677  -8.080
  809    H    LEU 466           H        LEU 466  14.881   4.637  -4.222
  810    HA   LEU 466           HA       LEU 466  15.990   2.164  -4.959
  811    HB2  LEU 466           HB2      LEU 466  17.021   3.863  -3.453
  812    HB3  LEU 466           HB1      LEU 466  15.856   3.435  -2.221
  813    HG   LEU 466           HG       LEU 466  17.729   1.366  -3.334
  814   HD11  LEU 466          1HD1      LEU 466  19.276   1.880  -1.512
  815   HD12  LEU 466          2HD1      LEU 466  18.288   3.271  -1.062
  816   HD13  LEU 466          3HD1      LEU 466  19.117   3.245  -2.618
  817   HD21  LEU 466          3HD2      LEU 466  16.309   1.708  -0.693
  818   HD22  LEU 466          1HD2      LEU 466  17.401   0.384  -1.102
  819   HD23  LEU 466          2HD2      LEU 466  15.881   0.576  -1.978
  820    H    PHE 467           H        PHE 467  13.558   2.996  -2.497
  821    HA   PHE 467           HA       PHE 467  12.913   0.456  -1.615
  822    HB2  PHE 467           HB2      PHE 467  12.023   2.383  -0.507
  823    HB3  PHE 467           HB1      PHE 467  11.180   2.902  -1.961
  824    HD1  PHE 467           HD1      PHE 467  11.301   0.115   0.504
  825    HD2  PHE 467           HD2      PHE 467   8.962   2.339  -2.267
  826    HE1  PHE 467           HE1      PHE 467   9.281  -1.064   1.266
  827    HE2  PHE 467           HE2      PHE 467   6.939   1.157  -1.518
  828    HZ   PHE 467           HZ       PHE 467   7.097  -0.544   0.254
  829    H    PHE 468           H        PHE 468  11.262   2.255  -4.233
  830    HA   PHE 468           HA       PHE 468   9.460   0.156  -4.791
  831    HB2  PHE 468           HB2      PHE 468  10.274   2.558  -6.419
  832    HB3  PHE 468           HB1      PHE 468   9.018   1.432  -6.926
  833    HD1  PHE 468           HD2      PHE 468   7.328   0.891  -4.847
  834    HD2  PHE 468           HD1      PHE 468   9.495   4.496  -5.478
  835    HE1  PHE 468           HE2      PHE 468   5.684   2.112  -3.488
  836    HE2  PHE 468           HE1      PHE 468   7.851   5.722  -4.118
  837    HZ   PHE 468           HZ       PHE 468   5.944   4.531  -3.124
  838    H    ASP 469           H        ASP 469  12.657   0.854  -6.035
  839    HA   ASP 469           HA       ASP 469  12.566  -0.945  -8.230
  840    HB2  ASP 469           HB2      ASP 469  14.322   0.818  -7.898
  841    HB3  ASP 469           HB1      ASP 469  14.986  -0.149  -6.585
  842    H    LYS 470           H        LYS 470  13.657  -1.284  -4.855
  843    HA   LYS 470           HA       LYS 470  14.271  -4.029  -5.030
  844    HB2  LYS 470           HB2      LYS 470  13.474  -2.347  -2.656
  845    HB3  LYS 470           HB1      LYS 470  13.967  -4.030  -2.532
  846    HG2  LYS 470           HG2      LYS 470  16.105  -3.330  -3.704
  847    HG3  LYS 470           HG1      LYS 470  15.601  -1.669  -3.389
  848    HD2  LYS 470           HD2      LYS 470  15.490  -2.175  -0.990
  849    HD3  LYS 470           HD1      LYS 470  16.032  -3.822  -1.320
  850    HE2  LYS 470           HE2      LYS 470  18.102  -2.900  -2.305
  851    HE3  LYS 470           HE1      LYS 470  17.562  -1.283  -1.859
  852    HZ1  LYS 470           HZ1      LYS 470  18.405  -3.496  -0.100
  853    HZ2  LYS 470           HZ2      LYS 470  17.426  -2.247   0.501
  854    HZ3  LYS 470           HZ3      LYS 470  18.962  -1.893  -0.137
  855    H    VAL 471           H        VAL 471  11.267  -2.330  -4.208
  856    HA   VAL 471           HA       VAL 471   9.715  -4.575  -3.558
  857    HB   VAL 471           HB       VAL 471   8.820  -2.010  -4.894
  858   HG11  VAL 471          1HG1      VAL 471   7.170  -3.789  -5.182
  859   HG12  VAL 471          2HG1      VAL 471   6.589  -2.554  -4.065
  860   HG13  VAL 471          3HG1      VAL 471   7.189  -4.093  -3.444
  861   HG21  VAL 471          3HG2      VAL 471   8.132  -1.378  -2.604
  862   HG22  VAL 471          1HG2      VAL 471   9.875  -1.579  -2.773
  863   HG23  VAL 471          2HG2      VAL 471   8.915  -2.839  -1.999
  864    H    ARG 472           H        ARG 472  10.382  -3.051  -6.675
  865    HA   ARG 472           HA       ARG 472   8.743  -4.601  -8.305
  866    HB2  ARG 472           HB2      ARG 472  10.959  -2.778  -8.633
  867    HB3  ARG 472           HB1      ARG 472  11.099  -4.118  -9.756
  868    HG2  ARG 472           HG2      ARG 472   8.677  -2.352  -9.456
  869    HG3  ARG 472           HG1      ARG 472   9.899  -2.209 -10.722
  870    HD2  ARG 472           HD2      ARG 472   9.370  -4.509 -11.439
  871    HD3  ARG 472           HD1      ARG 472   8.101  -4.574 -10.219
  872    HE   ARG 472           HE       ARG 472   7.723  -2.331 -11.916
  873   HH11  ARG 472          1HH1      ARG 472   7.376  -5.826 -11.814
  874   HH12  ARG 472          2HH1      ARG 472   6.157  -5.854 -13.050
  875   HH21  ARG 472          1HH2      ARG 472   6.125  -2.377 -13.547
  876   HH22  ARG 472          2HH2      ARG 472   5.435  -3.908 -14.031
  877    H    LYS 473           H        LYS 473  12.095  -5.151  -7.286
  878    HA   LYS 473           HA       LYS 473  12.327  -7.641  -8.685
  879    HB2  LYS 473           HB2      LYS 473  14.219  -6.075  -8.047
  880    HB3  LYS 473           HB1      LYS 473  14.052  -6.683  -6.405
  881    HG2  LYS 473           HG2      LYS 473  14.444  -8.983  -7.313
  882    HG3  LYS 473           HG1      LYS 473  14.831  -8.232  -8.861
  883    HD2  LYS 473           HD2      LYS 473  16.271  -7.863  -6.238
  884    HD3  LYS 473           HD1      LYS 473  16.882  -8.659  -7.688
  885    HE2  LYS 473           HE2      LYS 473  16.246  -5.730  -7.355
  886    HE3  LYS 473           HE1      LYS 473  17.847  -6.454  -7.492
  887    HZ1  LYS 473           HZ1      LYS 473  15.755  -6.412  -9.603
  888    HZ2  LYS 473           HZ2      LYS 473  17.267  -7.162  -9.746
  889    HZ3  LYS 473           HZ3      LYS 473  17.167  -5.479  -9.573
  890    H    ALA 474           H        ALA 474  11.442  -6.687  -5.438
  891    HA   ALA 474           HA       ALA 474  11.823  -9.207  -4.199
  892    HB1  ALA 474           HB1      ALA 474  10.655  -8.239  -2.307
  893    HB2  ALA 474           HB2      ALA 474  10.096  -6.902  -3.314
  894    HB3  ALA 474           HB3      ALA 474  11.816  -7.089  -2.969
  895    H    LEU 475           H        LEU 475   8.857  -7.511  -5.229
  896    HA   LEU 475           HA       LEU 475   7.132  -9.632  -4.466
  897    HB2  LEU 475           HB2      LEU 475   6.834  -7.129  -6.060
  898    HB3  LEU 475           HB1      LEU 475   5.581  -8.347  -6.195
  899    HG   LEU 475           HG       LEU 475   5.142  -8.215  -3.803
  900   HD11  LEU 475          1HD1      LEU 475   6.223  -6.508  -2.410
  901   HD12  LEU 475          2HD1      LEU 475   7.315  -6.125  -3.741
  902   HD13  LEU 475          3HD1      LEU 475   7.373  -7.719  -2.984
  903   HD21  LEU 475          3HD2      LEU 475   5.215  -5.516  -5.140
  904   HD22  LEU 475          1HD2      LEU 475   4.255  -5.929  -3.718
  905   HD23  LEU 475          2HD2      LEU 475   3.927  -6.714  -5.263
  906    H    ARG 476           H        ARG 476   8.783  -8.818  -7.430
  907    HA   ARG 476           HA       ARG 476   9.246  -9.978  -9.306
  908    HB2  ARG 476           HB2      ARG 476   8.096 -12.290  -7.739
  909    HB3  ARG 476           HB1      ARG 476   8.787 -12.460  -9.351
  910    HG2  ARG 476           HG2      ARG 476  10.913 -11.536  -8.484
  911    HG3  ARG 476           HG1      ARG 476  10.207 -11.527  -6.867
  912    HD2  ARG 476           HD2      ARG 476   9.885 -13.951  -7.004
  913    HD3  ARG 476           HD1      ARG 476  10.600 -13.952  -8.617
  914    HE   ARG 476           HE       ARG 476  12.139 -12.988  -6.302
  915   HH11  ARG 476          1HH1      ARG 476  11.730 -15.234  -8.964
  916   HH12  ARG 476          2HH1      ARG 476  13.329 -15.903  -8.807
  917   HH21  ARG 476          1HH2      ARG 476  14.250 -13.824  -6.126
  918   HH22  ARG 476          2HH2      ARG 476  14.774 -15.085  -7.210
  919    H    SER 477           H        SER 477   6.076 -11.130  -8.172
  920    HA   SER 477           HA       SER 477   4.979 -11.468 -10.733
  921    HB2  SER 477           HB2      SER 477   4.007 -12.583  -8.830
  922    HB3  SER 477           HB1      SER 477   3.663 -11.045  -8.041
  923    HG   SER 477           HG       SER 477   2.162 -12.416  -9.786
  924    H    ALA 478           H        ALA 478   4.244 -10.075 -12.166
  925    HA   ALA 478           HA       ALA 478   4.270  -7.271 -11.732
  926    HB1  ALA 478           HB1      ALA 478   2.957  -8.841 -13.950
  927    HB2  ALA 478           HB2      ALA 478   4.628  -8.277 -13.941
  928    HB3  ALA 478           HB3      ALA 478   3.304  -7.111 -13.962
  929    H    GLU 479           H        GLU 479   1.852  -9.755 -11.481
  930    HA   GLU 479           HA       GLU 479  -0.403  -8.009 -11.309
  931    HB2  GLU 479           HB2      GLU 479  -0.663 -10.344 -11.981
  932    HB3  GLU 479           HB1      GLU 479  -0.023 -10.882 -10.436
  933    HG2  GLU 479           HG2      GLU 479  -1.948  -9.994  -9.285
  934    HG3  GLU 479           HG1      GLU 479  -2.576  -9.331 -10.793
  935    H    ALA 480           H        ALA 480   1.714  -9.631  -8.991
  936    HA   ALA 480           HA       ALA 480   0.418  -8.767  -6.644
  937    HB1  ALA 480           HB1      ALA 480   3.346  -9.370  -7.055
  938    HB2  ALA 480           HB2      ALA 480   2.095 -10.545  -6.649
  939    HB3  ALA 480           HB3      ALA 480   2.515  -9.272  -5.502
  940    H    TYR 481           H        TYR 481   3.039  -7.345  -8.558
  941    HA   TYR 481           HA       TYR 481   3.417  -5.075  -6.913
  942    HB2  TYR 481           HB2      TYR 481   5.014  -5.942  -8.675
  943    HB3  TYR 481           HB1      TYR 481   3.942  -5.245  -9.886
  944    HD1  TYR 481           HD1      TYR 481   6.165  -4.444  -7.046
  945    HD2  TYR 481           HD2      TYR 481   3.995  -2.913 -10.370
  946    HE1  TYR 481           HE1      TYR 481   7.316  -2.286  -6.794
  947    HE2  TYR 481           HE2      TYR 481   5.142  -0.751 -10.131
  948    HH   TYR 481           HH       TYR 481   7.874  -0.342  -8.089
  949    H    GLU 482           H        GLU 482   1.363  -5.717  -9.711
  950    HA   GLU 482           HA       GLU 482   0.284  -3.153 -10.017
  951    HB2  GLU 482           HB2      GLU 482  -0.051  -4.931 -11.672
  952    HB3  GLU 482           HB1      GLU 482  -1.011  -5.843 -10.515
  953    HG2  GLU 482           HG2      GLU 482  -2.741  -4.206 -10.542
  954    HG3  GLU 482           HG1      GLU 482  -1.749  -3.100 -11.490
  955    H    ASN 483           H        ASN 483  -0.638  -5.839  -7.923
  956    HA   ASN 483           HA       ASN 483  -2.979  -4.723  -6.869
  957    HB2  ASN 483           HB2      ASN 483  -2.323  -7.094  -6.635
  958    HB3  ASN 483           HB1      ASN 483  -1.033  -6.615  -5.537
  959   HD21  ASN 483          1HD2      ASN 483  -1.539  -5.951  -3.464
  960   HD22  ASN 483          2HD2      ASN 483  -3.102  -6.198  -2.783
  961    H    PHE 484           H        PHE 484   0.386  -4.585  -5.747
  962    HA   PHE 484           HA       PHE 484   0.084  -2.956  -3.520
  963    HB2  PHE 484           HB2      PHE 484   2.216  -3.908  -3.952
  964    HB3  PHE 484           HB1      PHE 484   2.283  -3.220  -5.567
  965    HD1  PHE 484           HD1      PHE 484   2.165  -2.194  -1.990
  966    HD2  PHE 484           HD2      PHE 484   3.503  -1.314  -5.934
  967    HE1  PHE 484           HE1      PHE 484   3.468  -0.300  -1.118
  968    HE2  PHE 484           HE2      PHE 484   4.805   0.588  -5.069
  969    HZ   PHE 484           HZ       PHE 484   4.790   1.094  -2.657
  970    H    LEU 485           H        LEU 485   0.357  -2.091  -6.932
  971    HA   LEU 485           HA       LEU 485   0.329   0.706  -6.547
  972    HB2  LEU 485           HB2      LEU 485  -0.479  -0.925  -8.951
  973    HB3  LEU 485           HB1      LEU 485  -0.197   0.807  -8.952
  974    HG   LEU 485           HG       LEU 485   1.884  -1.292  -8.331
  975   HD11  LEU 485          1HD1      LEU 485   1.240  -1.323 -10.669
  976   HD12  LEU 485          2HD1      LEU 485   2.853  -0.637 -10.473
  977   HD13  LEU 485          3HD1      LEU 485   1.473   0.422 -10.769
  978   HD21  LEU 485          3HD2      LEU 485   3.460   0.574  -8.445
  979   HD22  LEU 485          1HD2      LEU 485   2.285   0.798  -7.150
  980   HD23  LEU 485          2HD2      LEU 485   2.116   1.696  -8.658
  981    H    ARG 486           H        ARG 486  -2.260  -1.674  -6.964
  982    HA   ARG 486           HA       ARG 486  -4.427   0.105  -7.143
  983    HB2  ARG 486           HB2      ARG 486  -4.101  -2.694  -6.227
  984    HB3  ARG 486           HB1      ARG 486  -5.522  -1.845  -5.643
  985    HG2  ARG 486           HG2      ARG 486  -6.164  -3.014  -7.581
  986    HG3  ARG 486           HG1      ARG 486  -6.064  -1.310  -8.030
  987    HD2  ARG 486           HD2      ARG 486  -4.207  -1.620  -9.327
  988    HD3  ARG 486           HD1      ARG 486  -3.661  -3.016  -8.398
  989    HE   ARG 486           HE       ARG 486  -5.307  -3.048 -10.717
  990   HH11  ARG 486          1HH1      ARG 486  -4.984  -4.616  -7.596
  991   HH12  ARG 486          2HH1      ARG 486  -5.428  -6.186  -8.195
  992   HH21  ARG 486          1HH2      ARG 486  -5.927  -5.122 -11.502
  993   HH22  ARG 486          2HH2      ARG 486  -5.950  -6.477 -10.408
  994    H    CYS 487           H        CYS 487  -2.736  -1.226  -4.338
  995    HA   CYS 487           HA       CYS 487  -4.281   0.008  -2.364
  996    HB2  CYS 487           HB2      CYS 487  -1.318  -0.586  -2.218
  997    HB3  CYS 487           HB1      CYS 487  -2.438  -0.445  -0.868
  998    HG   CYS 487           HG       CYS 487  -2.681  -2.900  -3.244
  999    H    LEU 488           H        LEU 488  -1.593   1.178  -4.305
 1000    HA   LEU 488           HA       LEU 488  -1.160   3.561  -2.847
 1001    HB2  LEU 488           HB2      LEU 488  -0.547   2.918  -5.725
 1002    HB3  LEU 488           HB1      LEU 488   0.041   4.320  -4.863
 1003    HG   LEU 488           HG       LEU 488   0.771   1.438  -4.384
 1004   HD11  LEU 488          1HD1      LEU 488   1.931   2.556  -6.222
 1005   HD12  LEU 488          2HD1      LEU 488   3.026   2.238  -4.876
 1006   HD13  LEU 488          3HD1      LEU 488   2.400   3.867  -5.134
 1007   HD21  LEU 488          3HD2      LEU 488   0.471   2.552  -2.229
 1008   HD22  LEU 488          1HD2      LEU 488   1.537   3.855  -2.754
 1009   HD23  LEU 488          2HD2      LEU 488   2.173   2.221  -2.552
 1010    H    VAL 489           H        VAL 489  -3.096   2.870  -5.774
 1011    HA   VAL 489           HA       VAL 489  -3.809   5.573  -6.192
 1012    HB   VAL 489           HB       VAL 489  -5.679   4.705  -7.608
 1013   HG11  VAL 489          1HG1      VAL 489  -4.210   3.776  -9.339
 1014   HG12  VAL 489          2HG1      VAL 489  -2.931   3.587  -8.138
 1015   HG13  VAL 489          3HG1      VAL 489  -3.512   5.196  -8.563
 1016   HG21  VAL 489          3HG2      VAL 489  -6.185   2.631  -6.493
 1017   HG22  VAL 489          1HG2      VAL 489  -4.561   2.020  -6.816
 1018   HG23  VAL 489          2HG2      VAL 489  -5.685   2.293  -8.151
 1019    H    ILE 490           H        ILE 490  -5.465   2.958  -4.437
 1020    HA   ILE 490           HA       ILE 490  -7.727   4.574  -3.837
 1021    HB   ILE 490           HB       ILE 490  -8.321   2.877  -2.156
 1022   HG12  ILE 490          2HG1      ILE 490  -5.661   1.672  -2.936
 1023   HG13  ILE 490          1HG1      ILE 490  -6.170   2.185  -1.330
 1024   HG21  ILE 490          1HG2      ILE 490  -9.035   2.591  -4.436
 1025   HG22  ILE 490          2HG2      ILE 490  -8.611   1.019  -3.758
 1026   HG23  ILE 490          3HG2      ILE 490  -7.500   1.832  -4.860
 1027   HD11  ILE 490          3HD1      ILE 490  -7.221  -0.151  -2.910
 1028   HD12  ILE 490          1HD1      ILE 490  -7.911   0.413  -1.381
 1029   HD13  ILE 490          2HD1      ILE 490  -6.252  -0.196  -1.434
 1030    H    PHE 491           H        PHE 491  -4.623   4.080  -2.252
 1031    HA   PHE 491           HA       PHE 491  -5.247   5.556   0.096
 1032    HB2  PHE 491           HB2      PHE 491  -3.259   4.183   0.066
 1033    HB3  PHE 491           HB1      PHE 491  -2.619   5.053  -1.321
 1034    HD1  PHE 491           HD2      PHE 491  -3.390   5.336   2.288
 1035    HD2  PHE 491           HD1      PHE 491  -1.384   7.037  -1.060
 1036    HE1  PHE 491           HE2      PHE 491  -2.197   6.884   3.787
 1037    HE2  PHE 491           HE1      PHE 491  -0.190   8.580   0.432
 1038    HZ   PHE 491           HZ       PHE 491  -0.597   8.509   2.855
 1039    H    ASN 492           H        ASN 492  -3.980   6.412  -3.066
 1040    HA   ASN 492           HA       ASN 492  -3.394   9.111  -2.628
 1041    HB2  ASN 492           HB2      ASN 492  -2.644   7.915  -4.614
 1042    HB3  ASN 492           HB1      ASN 492  -4.306   7.711  -5.152
 1043   HD21  ASN 492          1HD2      ASN 492  -4.026   8.766  -7.074
 1044   HD22  ASN 492          2HD2      ASN 492  -3.751  10.469  -7.185
 1045    H    GLN 493           H        GLN 493  -6.397   7.533  -3.575
 1046    HA   GLN 493           HA       GLN 493  -7.767  10.079  -3.870
 1047    HB2  GLN 493           HB2      GLN 493  -8.861   7.274  -4.130
 1048    HB3  GLN 493           HB1      GLN 493  -9.634   8.758  -4.677
 1049    HG2  GLN 493           HG2      GLN 493  -7.898   9.095  -6.323
 1050    HG3  GLN 493           HG1      GLN 493  -7.024   7.685  -5.732
 1051   HE21  GLN 493          1HE2      GLN 493  -7.955   8.175  -8.396
 1052   HE22  GLN 493          2HE2      GLN 493  -9.051   6.896  -8.783
 1053    H    GLU 494           H        GLU 494  -6.786   8.842  -1.240
 1054    HA   GLU 494           HA       GLU 494  -7.388   8.697   0.918
 1055    HB2  GLU 494           HB2      GLU 494  -8.089  11.088   0.182
 1056    HB3  GLU 494           HB1      GLU 494  -9.733  10.473   0.342
 1057    HG2  GLU 494           HG2      GLU 494  -9.232   9.820   2.656
 1058    HG3  GLU 494           HG1      GLU 494  -7.625  10.520   2.476
 1059    H    VAL 495           H        VAL 495  -8.257   6.547  -0.455
 1060    HA   VAL 495           HA       VAL 495 -10.968   6.000   0.521
 1061    HB   VAL 495           HB       VAL 495  -9.118   4.365  -1.235
 1062   HG11  VAL 495          1HG1      VAL 495 -10.524   2.912   0.131
 1063   HG12  VAL 495          2HG1      VAL 495 -10.995   2.849  -1.567
 1064   HG13  VAL 495          3HG1      VAL 495 -11.960   3.778  -0.420
 1065   HG21  VAL 495          3HG2      VAL 495 -11.667   5.845  -1.884
 1066   HG22  VAL 495          1HG2      VAL 495 -10.742   4.846  -3.005
 1067   HG23  VAL 495          2HG2      VAL 495 -10.037   6.324  -2.354
 1068    H    ILE 496           H        ILE 496  -7.631   4.838   0.799
 1069    HA   ILE 496           HA       ILE 496  -8.403   3.530   3.323
 1070    HB   ILE 496           HB       ILE 496  -6.489   2.050   3.101
 1071   HG12  ILE 496          2HG1      ILE 496  -6.001   3.338   0.407
 1072   HG13  ILE 496          1HG1      ILE 496  -5.030   3.632   1.847
 1073   HG21  ILE 496          1HG2      ILE 496  -7.222   0.722   1.165
 1074   HG22  ILE 496          2HG2      ILE 496  -8.188   2.088   0.608
 1075   HG23  ILE 496          3HG2      ILE 496  -8.578   1.294   2.135
 1076   HD11  ILE 496          3HD1      ILE 496  -3.972   2.041   0.333
 1077   HD12  ILE 496          1HD1      ILE 496  -5.366   0.971   0.478
 1078   HD13  ILE 496          2HD1      ILE 496  -4.356   1.303   1.887
 1079    H    SER 497           H        SER 497  -6.970   3.793   5.113
 1080    HA   SER 497           HA       SER 497  -5.583   6.346   5.035
 1081    HB2  SER 497           HB2      SER 497  -5.463   6.086   7.497
 1082    HB3  SER 497           HB1      SER 497  -7.114   5.941   6.896
 1083    HG   SER 497           HG       SER 497  -7.009   4.194   8.111
 1084    H    ARG 498           H        ARG 498  -3.527   6.348   6.544
 1085    HA   ARG 498           HA       ARG 498  -1.448   5.074   5.259
 1086    HB2  ARG 498           HB2      ARG 498  -1.757   6.367   7.924
 1087    HB3  ARG 498           HB1      ARG 498  -0.294   5.441   7.618
 1088    HG2  ARG 498           HG2      ARG 498   0.350   6.845   5.842
 1089    HG3  ARG 498           HG1      ARG 498  -1.244   7.597   5.759
 1090    HD2  ARG 498           HD2      ARG 498   0.381   7.794   8.263
 1091    HD3  ARG 498           HD1      ARG 498   0.730   8.857   6.899
 1092    HE   ARG 498           HE       ARG 498  -1.704   9.501   7.062
 1093   HH11  ARG 498          1HH1      ARG 498   0.143   8.462   9.855
 1094   HH12  ARG 498          2HH1      ARG 498  -0.828   9.354  10.988
 1095   HH21  ARG 498          1HH2      ARG 498  -2.989  10.651   8.537
 1096   HH22  ARG 498          2HH2      ARG 498  -2.655  10.552  10.246
 1097    H    ALA 499           H        ALA 499  -2.934   4.101   8.354
 1098    HA   ALA 499           HA       ALA 499  -1.364   1.847   8.828
 1099    HB1  ALA 499           HB1      ALA 499  -4.248   2.248   9.613
 1100    HB2  ALA 499           HB2      ALA 499  -2.856   2.887  10.488
 1101    HB3  ALA 499           HB3      ALA 499  -3.099   1.144  10.364
 1102    H    GLU 500           H        GLU 500  -4.514   2.075   7.197
 1103    HA   GLU 500           HA       GLU 500  -4.900  -0.626   6.650
 1104    HB2  GLU 500           HB2      GLU 500  -5.721   1.718   4.924
 1105    HB3  GLU 500           HB1      GLU 500  -6.433   0.112   4.897
 1106    HG2  GLU 500           HG2      GLU 500  -6.505   2.013   7.225
 1107    HG3  GLU 500           HG1      GLU 500  -7.819   1.739   6.085
 1108    H    LEU 501           H        LEU 501  -3.127   1.841   4.875
 1109    HA   LEU 501           HA       LEU 501  -2.601   0.355   2.554
 1110    HB2  LEU 501           HB2      LEU 501  -2.344   2.771   2.669
 1111    HB3  LEU 501           HB1      LEU 501  -1.034   2.599   3.822
 1112    HG   LEU 501           HG       LEU 501   0.358   1.542   2.110
 1113   HD11  LEU 501          1HD1      LEU 501  -1.439   0.486   0.805
 1114   HD12  LEU 501          2HD1      LEU 501  -0.355   1.440  -0.206
 1115   HD13  LEU 501          3HD1      LEU 501  -1.940   2.078   0.232
 1116   HD21  LEU 501          3HD2      LEU 501  -0.873   4.129   1.175
 1117   HD22  LEU 501          1HD2      LEU 501   0.708   3.499   0.714
 1118   HD23  LEU 501          2HD2      LEU 501   0.401   3.977   2.383
 1119    H    VAL 502           H        VAL 502  -0.649   0.783   5.518
 1120    HA   VAL 502           HA       VAL 502   1.527  -0.799   4.619
 1121    HB   VAL 502           HB       VAL 502   1.016  -0.892   7.522
 1122   HG11  VAL 502          1HG1      VAL 502   3.148  -1.501   6.372
 1123   HG12  VAL 502          2HG1      VAL 502   3.324  -0.308   7.658
 1124   HG13  VAL 502          3HG1      VAL 502   3.350   0.208   5.971
 1125   HG21  VAL 502          3HG2      VAL 502   1.548   1.443   7.916
 1126   HG22  VAL 502          1HG2      VAL 502   0.020   1.272   7.052
 1127   HG23  VAL 502          2HG2      VAL 502   1.476   1.761   6.182
 1128    H    GLN 503           H        GLN 503  -1.521  -1.540   6.121
 1129    HA   GLN 503           HA       GLN 503  -0.974  -4.214   6.875
 1130    HB2  GLN 503           HB2      GLN 503  -3.504  -2.672   6.358
 1131    HB3  GLN 503           HB1      GLN 503  -3.546  -4.385   6.752
 1132    HG2  GLN 503           HG2      GLN 503  -2.875  -4.050   8.904
 1133    HG3  GLN 503           HG1      GLN 503  -2.000  -2.570   8.520
 1134   HE21  GLN 503          1HE2      GLN 503  -5.265  -3.120   7.443
 1135   HE22  GLN 503          2HE2      GLN 503  -6.007  -1.935   8.465
 1136    H    LEU 504           H        LEU 504  -2.416  -2.816   3.940
 1137    HA   LEU 504           HA       LEU 504  -3.158  -5.284   2.800
 1138    HB2  LEU 504           HB2      LEU 504  -2.594  -2.624   1.509
 1139    HB3  LEU 504           HB1      LEU 504  -3.281  -4.000   0.666
 1140    HG   LEU 504           HG       LEU 504  -4.530  -2.532   2.987
 1141   HD11  LEU 504          1HD1      LEU 504  -4.594  -1.303   0.874
 1142   HD12  LEU 504          2HD1      LEU 504  -6.199  -1.854   1.354
 1143   HD13  LEU 504          3HD1      LEU 504  -5.319  -2.702   0.081
 1144   HD21  LEU 504          3HD2      LEU 504  -5.466  -4.925   1.410
 1145   HD22  LEU 504          1HD2      LEU 504  -6.477  -3.995   2.519
 1146   HD23  LEU 504          2HD2      LEU 504  -5.074  -4.870   3.132
 1147    H    VAL 505           H        VAL 505  -0.222  -3.343   2.457
 1148    HA   VAL 505           HA       VAL 505   0.853  -5.207   0.517
 1149    HB   VAL 505           HB       VAL 505   1.245  -2.707   0.460
 1150   HG11  VAL 505          1HG1      VAL 505   3.102  -1.824   1.795
 1151   HG12  VAL 505          2HG1      VAL 505   3.181  -3.351   2.674
 1152   HG13  VAL 505          3HG1      VAL 505   1.744  -2.336   2.799
 1153   HG21  VAL 505          3HG2      VAL 505   3.554  -2.920  -0.353
 1154   HG22  VAL 505          1HG2      VAL 505   2.514  -4.219  -0.940
 1155   HG23  VAL 505          2HG2      VAL 505   3.648  -4.522   0.377
 1156    H    SER 506           H        SER 506   0.435  -5.493   3.691
 1157    HA   SER 506           HA       SER 506   2.899  -6.032   4.842
 1158    HB2  SER 506           HB2      SER 506   0.771  -5.836   6.098
 1159    HB3  SER 506           HB1      SER 506   0.287  -7.416   5.481
 1160    HG   SER 506           HG       SER 506   2.474  -6.811   7.180
 1161    HA   PRO 507           HA       PRO 507   2.347 -10.761   3.550
 1162    HB2  PRO 507           HB2      PRO 507   0.895 -10.323   0.998
 1163    HB3  PRO 507           HB1      PRO 507   0.750 -11.640   2.170
 1164    HG2  PRO 507           HG2      PRO 507  -1.127  -9.755   2.002
 1165    HG3  PRO 507           HG1      PRO 507  -0.638 -10.424   3.571
 1166    HD2  PRO 507           HD2      PRO 507   0.059  -7.800   2.325
 1167    HD3  PRO 507           HD1      PRO 507  -0.269  -8.193   4.025
 1168    H    PHE 508           H        PHE 508   2.532  -8.143   1.217
 1169    HA   PHE 508           HA       PHE 508   4.259  -9.529  -0.582
 1170    HB2  PHE 508           HB2      PHE 508   3.617  -6.579  -0.388
 1171    HB3  PHE 508           HB1      PHE 508   4.421  -7.369  -1.742
 1172    HD1  PHE 508           HD2      PHE 508   3.188  -8.768  -3.278
 1173    HD2  PHE 508           HD1      PHE 508   1.246  -6.859  -0.012
 1174    HE1  PHE 508           HE2      PHE 508   1.004  -9.230  -4.309
 1175    HE2  PHE 508           HE1      PHE 508  -0.940  -7.315  -1.036
 1176    HZ   PHE 508           HZ       PHE 508  -1.064  -8.499  -3.189
 1177    H    LEU 509           H        LEU 509   4.721  -7.128   1.974
 1178    HA   LEU 509           HA       LEU 509   7.614  -7.172   1.460
 1179    HB2  LEU 509           HB2      LEU 509   5.992  -5.313   3.199
 1180    HB3  LEU 509           HB1      LEU 509   7.713  -5.182   2.888
 1181    HG   LEU 509           HG       LEU 509   5.506  -4.842   0.854
 1182   HD11  LEU 509          1HD1      LEU 509   6.261  -2.515   0.791
 1183   HD12  LEU 509          2HD1      LEU 509   7.416  -2.857   2.078
 1184   HD13  LEU 509          3HD1      LEU 509   5.686  -2.969   2.396
 1185   HD21  LEU 509          3HD2      LEU 509   8.484  -4.522   0.509
 1186   HD22  LEU 509          1HD2      LEU 509   7.247  -4.244  -0.717
 1187   HD23  LEU 509          2HD2      LEU 509   7.530  -5.873  -0.103
 1188    H    GLY 510           H        GLY 510   5.573  -8.938   3.185
 1189    HA2  GLY 510           HA2      GLY 510   6.538  -8.802   5.844
 1190    HA3  GLY 510           HA1      GLY 510   5.634 -10.135   5.146
 1191    H    LYS 511           H        LYS 511   7.854 -10.221   3.025
 1192    HA   LYS 511           HA       LYS 511   9.590 -12.014   4.546
 1193    HB2  LYS 511           HB2      LYS 511   9.472 -11.534   1.560
 1194    HB3  LYS 511           HB1      LYS 511  10.398 -12.786   2.364
 1195    HG2  LYS 511           HG2      LYS 511   8.551 -13.907   1.540
 1196    HG3  LYS 511           HG1      LYS 511   8.134 -13.614   3.225
 1197    HD2  LYS 511           HD2      LYS 511   6.766 -11.720   2.602
 1198    HD3  LYS 511           HD1      LYS 511   7.246 -11.900   0.913
 1199    HE2  LYS 511           HE2      LYS 511   5.034 -12.826   1.286
 1200    HE3  LYS 511           HE1      LYS 511   6.174 -14.091   0.842
 1201    HZ1  LYS 511           HZ1      LYS 511   4.713 -14.755   2.673
 1202    HZ2  LYS 511           HZ2      LYS 511   5.307 -13.483   3.619
 1203    HZ3  LYS 511           HZ3      LYS 511   6.340 -14.740   3.151
 1204    H    PHE 512           H        PHE 512   9.516  -8.831   3.803
 1205    HA   PHE 512           HA       PHE 512  12.438  -8.631   3.543
 1206    HB2  PHE 512           HB2      PHE 512  10.458  -6.870   2.077
 1207    HB3  PHE 512           HB1      PHE 512  12.213  -6.873   1.901
 1208    HD1  PHE 512           HD1      PHE 512  13.335  -8.782   0.799
 1209    HD2  PHE 512           HD2      PHE 512   9.089  -8.445   0.915
 1210    HE1  PHE 512           HE1      PHE 512  13.155 -10.437  -1.010
 1211    HE2  PHE 512           HE2      PHE 512   8.904 -10.097  -0.896
 1212    HZ   PHE 512           HZ       PHE 512  10.940 -11.100  -1.858
 1213    HA   PRO 513           HA       PRO 513  11.044  -6.431   7.331
 1214    HB2  PRO 513           HB2      PRO 513  13.670  -6.284   8.267
 1215    HB3  PRO 513           HB1      PRO 513  12.491  -7.531   8.677
 1216    HG2  PRO 513           HG2      PRO 513  14.694  -7.586   6.674
 1217    HG3  PRO 513           HG1      PRO 513  14.074  -8.890   7.703
 1218    HD2  PRO 513           HD2      PRO 513  13.486  -8.754   5.088
 1219    HD3  PRO 513           HD1      PRO 513  12.307  -9.342   6.277
 1220    H    GLU 514           H        GLU 514  13.959  -5.606   5.422
 1221    HA   GLU 514           HA       GLU 514  14.177  -2.946   6.304
 1222    HB2  GLU 514           HB2      GLU 514  15.991  -4.033   5.096
 1223    HB3  GLU 514           HB1      GLU 514  14.987  -4.171   3.659
 1224    HG2  GLU 514           HG2      GLU 514  14.880  -1.678   3.586
 1225    HG3  GLU 514           HG1      GLU 514  16.054  -1.648   4.899
 1226    H    LEU 515           H        LEU 515  12.410  -4.375   3.619
 1227    HA   LEU 515           HA       LEU 515  11.714  -1.915   2.399
 1228    HB2  LEU 515           HB2      LEU 515  11.560  -4.643   1.789
 1229    HB3  LEU 515           HB1      LEU 515   9.902  -4.070   1.778
 1230    HG   LEU 515           HG       LEU 515  10.347  -2.504   0.054
 1231   HD11  LEU 515          1HD1      LEU 515  13.268  -3.139   0.443
 1232   HD12  LEU 515          2HD1      LEU 515  12.454  -1.626   0.853
 1233   HD13  LEU 515          3HD1      LEU 515  12.607  -2.117  -0.835
 1234   HD21  LEU 515          3HD2      LEU 515  11.279  -3.925  -1.738
 1235   HD22  LEU 515          1HD2      LEU 515  10.094  -4.775  -0.743
 1236   HD23  LEU 515          2HD2      LEU 515  11.817  -5.075  -0.517
 1237    H    PHE 516           H        PHE 516   9.915  -4.173   4.491
 1238    HA   PHE 516           HA       PHE 516   7.511  -2.677   4.407
 1239    HB2  PHE 516           HB2      PHE 516   7.702  -5.094   5.099
 1240    HB3  PHE 516           HB1      PHE 516   8.374  -4.536   6.630
 1241    HD1  PHE 516           HD1      PHE 516   5.423  -3.970   4.431
 1242    HD2  PHE 516           HD2      PHE 516   6.938  -4.210   8.400
 1243    HE1  PHE 516           HE1      PHE 516   3.150  -3.665   5.311
 1244    HE2  PHE 516           HE2      PHE 516   4.664  -3.907   9.290
 1245    HZ   PHE 516           HZ       PHE 516   2.765  -3.621   7.742
 1246    H    ASN 517           H        ASN 517  10.314  -2.611   6.540
 1247    HA   ASN 517           HA       ASN 517   9.197  -0.798   8.426
 1248    HB2  ASN 517           HB2      ASN 517  11.138  -2.206   8.965
 1249    HB3  ASN 517           HB1      ASN 517  12.104  -1.334   7.777
 1250   HD21  ASN 517          1HD2      ASN 517  12.838   0.718   8.247
 1251   HD22  ASN 517          2HD2      ASN 517  12.745   1.414   9.826
 1252    H    TRP 518           H        TRP 518  11.226  -0.384   5.542
 1253    HA   TRP 518           HA       TRP 518  11.592   2.380   5.615
 1254    HB2  TRP 518           HB2      TRP 518  12.628   0.826   3.947
 1255    HB3  TRP 518           HB1      TRP 518  11.065   0.682   3.156
 1256    HD1  TRP 518           HD1      TRP 518  14.164   2.759   3.170
 1257    HE1  TRP 518           HE1      TRP 518  13.909   4.749   1.544
 1258    HE3  TRP 518           HE3      TRP 518   9.140   2.450   2.262
 1259    HZ2  TRP 518           HZ2      TRP 518  11.858   6.019   0.100
 1260    HZ3  TRP 518           HZ3      TRP 518   8.112   4.091   0.744
 1261    HH2  TRP 518           HH2      TRP 518   9.446   5.836  -0.315
 1262    H    PHE 519           H        PHE 519   8.955   0.464   4.246
 1263    HA   PHE 519           HA       PHE 519   7.407   2.522   3.214
 1264    HB2  PHE 519           HB2      PHE 519   7.168  -0.021   2.951
 1265    HB3  PHE 519           HB1      PHE 519   6.259   0.029   4.458
 1266    HD1  PHE 519           HD1      PHE 519   6.370   1.745   1.157
 1267    HD2  PHE 519           HD2      PHE 519   3.978   0.211   4.315
 1268    HE1  PHE 519           HE1      PHE 519   4.350   2.303  -0.117
 1269    HE2  PHE 519           HE2      PHE 519   1.942   0.771   3.052
 1270    HZ   PHE 519           HZ       PHE 519   2.125   1.818   0.829
 1271    H    LYS 520           H        LYS 520   7.280   1.011   6.443
 1272    HA   LYS 520           HA       LYS 520   5.202   2.527   7.505
 1273    HB2  LYS 520           HB2      LYS 520   7.625   1.309   8.799
 1274    HB3  LYS 520           HB1      LYS 520   6.422   2.186   9.733
 1275    HG2  LYS 520           HG2      LYS 520   4.720   0.583   8.743
 1276    HG3  LYS 520           HG1      LYS 520   6.108  -0.382   8.222
 1277    HD2  LYS 520           HD2      LYS 520   6.887  -0.548  10.514
 1278    HD3  LYS 520           HD1      LYS 520   5.574   0.496  11.060
 1279    HE2  LYS 520           HE2      LYS 520   3.980  -1.216  10.152
 1280    HE3  LYS 520           HE1      LYS 520   5.368  -2.273   9.905
 1281    HZ1  LYS 520           HZ1      LYS 520   4.481  -1.133  12.502
 1282    HZ2  LYS 520           HZ2      LYS 520   5.841  -2.121  12.282
 1283    HZ3  LYS 520           HZ3      LYS 520   4.289  -2.743  12.003
 1284    H    ASN 521           H        ASN 521   8.684   3.206   7.543
 1285    HA   ASN 521           HA       ASN 521   8.509   5.554   9.081
 1286    HB2  ASN 521           HB2      ASN 521  10.595   4.269   8.767
 1287    HB3  ASN 521           HB1      ASN 521  10.646   4.786   7.085
 1288   HD21  ASN 521          1HD2      ASN 521  10.958   5.799  10.406
 1289   HD22  ASN 521          2HD2      ASN 521  11.773   7.293  10.080
 1290    H    PHE 522           H        PHE 522   8.177   4.991   5.642
 1291    HA   PHE 522           HA       PHE 522   8.506   7.708   4.845
 1292    HB2  PHE 522           HB2      PHE 522   8.772   5.769   3.303
 1293    HB3  PHE 522           HB1      PHE 522   7.041   5.474   3.414
 1294    HD1  PHE 522           HD1      PHE 522   8.917   8.667   3.036
 1295    HD2  PHE 522           HD2      PHE 522   6.194   5.896   1.298
 1296    HE1  PHE 522           HE1      PHE 522   8.557  10.205   1.152
 1297    HE2  PHE 522           HE2      PHE 522   5.825   7.435  -0.582
 1298    HZ   PHE 522           HZ       PHE 522   7.006   9.591  -0.658
 1299    H    LEU 523           H        LEU 523   5.741   5.644   5.546
 1300    HA   LEU 523           HA       LEU 523   3.777   7.675   5.102
 1301    HB2  LEU 523           HB2      LEU 523   3.737   4.955   6.371
 1302    HB3  LEU 523           HB1      LEU 523   2.342   6.006   6.467
 1303    HG   LEU 523           HG       LEU 523   2.147   6.001   4.024
 1304   HD11  LEU 523          1HD1      LEU 523   3.490   4.567   2.639
 1305   HD12  LEU 523          2HD1      LEU 523   4.405   4.007   4.041
 1306   HD13  LEU 523          3HD1      LEU 523   4.550   5.683   3.502
 1307   HD21  LEU 523          3HD2      LEU 523   0.967   4.337   5.316
 1308   HD22  LEU 523          1HD2      LEU 523   2.376   3.274   5.262
 1309   HD23  LEU 523          2HD2      LEU 523   1.503   3.659   3.778
 1310    H    GLY 524           H        GLY 524   5.887   6.885   7.668
 1311    HA2  GLY 524           HA2      GLY 524   6.238   8.077   9.641
 1312    HA3  GLY 524           HA1      GLY 524   4.734   8.947   9.359
 1313    H    TYR 525           H        TYR 525   4.552   5.566   9.022
 1314    HA   TYR 525           HA       TYR 525   2.708   5.475  11.249
 1315    HB2  TYR 525           HB2      TYR 525   2.127   4.413   9.085
 1316    HB3  TYR 525           HB1      TYR 525   3.468   3.291   9.295
 1317    HD1  TYR 525           HD2      TYR 525   0.369   4.447  11.016
 1318    HD2  TYR 525           HD1      TYR 525   3.067   1.235  10.315
 1319    HE1  TYR 525           HE2      TYR 525  -1.113   2.938  12.266
 1320    HE2  TYR 525           HE1      TYR 525   1.589  -0.283  11.559
 1321    HH   TYR 525           HH       TYR 525  -1.604   0.584  12.493
 1322    H    LYS 526           H        LYS 526   3.289   4.970  13.194
 1323    HA   LYS 526           HA       LYS 526   5.446   3.020  13.638
 1324    HB2  LYS 526           HB2      LYS 526   5.102   5.682  15.041
 1325    HB3  LYS 526           HB1      LYS 526   6.220   4.424  15.554
 1326    HG2  LYS 526           HG2      LYS 526   7.467   4.628  13.509
 1327    HG3  LYS 526           HG1      LYS 526   6.297   5.782  12.870
 1328    HD2  LYS 526           HD2      LYS 526   8.010   6.205  15.319
 1329    HD3  LYS 526           HD1      LYS 526   8.333   6.877  13.720
 1330    HE2  LYS 526           HE2      LYS 526   5.892   7.418  15.407
 1331    HE3  LYS 526           HE1      LYS 526   7.260   8.509  15.196
 1332    HZ1  LYS 526           HZ1      LYS 526   5.326   9.044  13.785
 1333    HZ2  LYS 526           HZ2      LYS 526   5.523   7.573  12.974
 1334    HZ3  LYS 526           HZ3      LYS 526   6.732   8.752  12.888
 1335    H    GLU 527           H        GLU 527   2.730   2.492  13.614
 1336    HA   GLU 527           HA       GLU 527   1.032   1.552  14.795
 1337    HB2  GLU 527           HB2      GLU 527   3.277   1.166  16.779
 1338    HB3  GLU 527           HB1      GLU 527   1.676   0.479  16.995
 1339    HG2  GLU 527           HG2      GLU 527   3.072  -1.222  16.130
 1340    HG3  GLU 527           HG1      GLU 527   1.991  -0.727  14.829
 1341    H    SER 528           H        SER 528   1.470   4.420  15.014
 1342    HA   SER 528           HA       SER 528   0.191   4.916  17.611
 1343    HB2  SER 528           HB2      SER 528   2.274   6.706  16.341
 1344    HB3  SER 528           HB1      SER 528   1.519   6.915  17.920
 1345    HG   SER 528           HG       SER 528   3.123   4.683  17.179