*HEADER    TRANSCRIPTION                           21-JAN-04   1S5Q              
*TITLE     SOLUTION STRUCTURE OF MAD1 SID-MSIN3A PAH2 COMPLEX                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MAD PROTEIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SIN3 INTERACTION DOMAIN (SID), RESIDUES 6 TO 21;           
*COMPND   5 SYNONYM: MAX DIMERIZER;                                              
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: SIN3A PROTEIN;                                             
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: PAIRED AMPHIPATHIC HELIX 2, (PAH2 REPEAT),                 
*COMPND  11 RESIDUES 295 TO 383;                                                 
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE SEQUENCE WAS SYNTHESIZED USING            
*SOURCE   4 AUTOMATED METHODS. THE SEQUENCE IS NATURALLY FOUND IN HOMO           
*SOURCE   5 SAPIENS (HUMAN).;                                                    
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   8 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   9 GENE: SIN3A;                                                         
*SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  11 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  12 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  13 EXPRESSION_SYSTEM_VECTOR_TYPE: PET24                                 
*KEYWDS    PROTEIN-PEPTIDE COMPLEX, AMPHIPATHIC HELIX MOTIF, FOUR-               
*KEYWDS   2 HELIX BUNDLE, REPRESSOR-COREPRESSOR COMPLEX                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.A.SWANSON, P.S.KNOEPFLER, K.HUANG, R.S.KANG, S.M.COWLEY,            
*AUTHOR   2 C.D.LAHERTY, R.N.EISENMAN, I.RADHAKRISHNAN                           
*REVDAT   1   06-JUL-04 1S5Q    0                                                
assign (resid 302 and name N   and segid PAH ) (resid 302 and name CA  and segid PAH )
       (resid 302 and name CB  and segid PAH ) (resid 302 and name CG1 and segid PAH ) 1.0  180.0   30.0 2
assign (resid 311 and name N   and segid PAH ) (resid 311 and name CA  and segid PAH )
       (resid 311 and name CB  and segid PAH ) (resid 311 and name CG1 and segid PAH ) 1.0  180.0   30.0 2
assign (resid 358 and name N   and segid PAH ) (resid 358 and name CA  and segid PAH )
       (resid 358 and name CB  and segid PAH ) (resid 358 and name CG1 and segid PAH ) 1.0  180.0   30.0 2
assign (resid 362 and name N   and segid PAH ) (resid 362 and name CA  and segid PAH )
       (resid 362 and name CB  and segid PAH ) (resid 362 and name CG1 and segid PAH ) 1.0  180.0   30.0 2
assign (resid 308 and name N   and segid PAH ) (resid 308 and name CA  and segid PAH )
       (resid 308 and name CB  and segid PAH ) (resid 308 and name CG1 and segid PAH ) 1.0  -60.0   30.0 2
assign (resid 314 and name N   and segid PAH ) (resid 314 and name CA  and segid PAH )
       (resid 314 and name CB  and segid PAH ) (resid 314 and name CG1 and segid PAH ) 1.0  -60.0   30.0 2
assign (resid 324 and name N   and segid PAH ) (resid 324 and name CA  and segid PAH )
       (resid 324 and name CB  and segid PAH ) (resid 324 and name CG1 and segid PAH ) 1.0  -60.0   30.0 2
assign (resid 331 and name N   and segid PAH ) (resid 331 and name CA  and segid PAH )
       (resid 331 and name CB  and segid PAH ) (resid 331 and name CG1 and segid PAH ) 1.0  -60.0   30.0 2
assign (resid 334 and name N   and segid PAH ) (resid 334 and name CA  and segid PAH )
       (resid 334 and name CB  and segid PAH ) (resid 334 and name OG1 and segid PAH ) 1.0  -60.0   30.0 2
assign (resid 350 and name N   and segid PAH ) (resid 350 and name CA  and segid PAH )
       (resid 350 and name CB  and segid PAH ) (resid 350 and name OG1 and segid PAH ) 1.0  180.0   30.0 2
assign (resid 354 and name N   and segid PAH ) (resid 354 and name CA  and segid PAH )
       (resid 354 and name CB  and segid PAH ) (resid 354 and name OG1 and segid PAH ) 1.0   60.0   30.0 2
assign (resid 301 and name C   and segid PAH ) (resid 302 and name N   and segid PAH )
       (resid 302 and name CA  and segid PAH ) (resid 302 and name C   and segid PAH ) 1.0  -63.0   12.2 2
assign (resid 302 and name C   and segid PAH ) (resid 303 and name N   and segid PAH )
       (resid 303 and name CA  and segid PAH ) (resid 303 and name C   and segid PAH ) 1.0  -63.8   19.8 2
assign (resid 303 and name C   and segid PAH ) (resid 304 and name N   and segid PAH )
       (resid 304 and name CA  and segid PAH ) (resid 304 and name C   and segid PAH ) 1.0  -63.7    8.3 2
assign (resid 304 and name C   and segid PAH ) (resid 305 and name N   and segid PAH )
       (resid 305 and name CA  and segid PAH ) (resid 305 and name C   and segid PAH ) 1.0  -64.4   12.6 2
assign (resid 305 and name C   and segid PAH ) (resid 306 and name N   and segid PAH )
       (resid 306 and name CA  and segid PAH ) (resid 306 and name C   and segid PAH ) 1.0  -64.2   15.0 2
assign (resid 306 and name C   and segid PAH ) (resid 307 and name N   and segid PAH )
       (resid 307 and name CA  and segid PAH ) (resid 307 and name C   and segid PAH ) 1.0  -64.0   10.6 2
assign (resid 307 and name C   and segid PAH ) (resid 308 and name N   and segid PAH )
       (resid 308 and name CA  and segid PAH ) (resid 308 and name C   and segid PAH ) 1.0  -63.0   12.3 2
assign (resid 308 and name C   and segid PAH ) (resid 309 and name N   and segid PAH )
       (resid 309 and name CA  and segid PAH ) (resid 309 and name C   and segid PAH ) 1.0  -59.4   19.6 2
assign (resid 309 and name C   and segid PAH ) (resid 310 and name N   and segid PAH )
       (resid 310 and name CA  and segid PAH ) (resid 310 and name C   and segid PAH ) 1.0  -63.6    8.4 2
assign (resid 310 and name C   and segid PAH ) (resid 311 and name N   and segid PAH )
       (resid 311 and name CA  and segid PAH ) (resid 311 and name C   and segid PAH ) 1.0  -63.6   12.4 2
assign (resid 311 and name C   and segid PAH ) (resid 312 and name N   and segid PAH )
       (resid 312 and name CA  and segid PAH ) (resid 312 and name C   and segid PAH ) 1.0  -58.7   17.8 2
assign (resid 312 and name C   and segid PAH ) (resid 313 and name N   and segid PAH )
       (resid 313 and name CA  and segid PAH ) (resid 313 and name C   and segid PAH ) 1.0  -63.0   13.6 2
assign (resid 313 and name C   and segid PAH ) (resid 314 and name N   and segid PAH )
       (resid 314 and name CA  and segid PAH ) (resid 314 and name C   and segid PAH ) 1.0  -64.8   10.6 2
assign (resid 314 and name C   and segid PAH ) (resid 315 and name N   and segid PAH )
       (resid 315 and name CA  and segid PAH ) (resid 315 and name C   and segid PAH ) 1.0  -57.7   13.6 2
assign (resid 315 and name C   and segid PAH ) (resid 316 and name N   and segid PAH )
       (resid 316 and name CA  and segid PAH ) (resid 316 and name C   and segid PAH ) 1.0  -63.2   18.0 2
assign (resid 316 and name C   and segid PAH ) (resid 317 and name N   and segid PAH )
       (resid 317 and name CA  and segid PAH ) (resid 317 and name C   and segid PAH ) 1.0  -60.5   20.5 2
assign (resid 317 and name C   and segid PAH ) (resid 318 and name N   and segid PAH )
       (resid 318 and name CA  and segid PAH ) (resid 318 and name C   and segid PAH ) 1.0  -86.9   56.9 2
assign (resid 318 and name C   and segid PAH ) (resid 319 and name N   and segid PAH )
       (resid 319 and name CA  and segid PAH ) (resid 319 and name C   and segid PAH ) 1.0  -63.0   32.5 2
assign (resid 320 and name C   and segid PAH ) (resid 321 and name N   and segid PAH )
       (resid 321 and name CA  and segid PAH ) (resid 321 and name C   and segid PAH ) 1.0  -123.2   64.7 2
assign (resid 322 and name C   and segid PAH ) (resid 323 and name N   and segid PAH )
       (resid 323 and name CA  and segid PAH ) (resid 323 and name C   and segid PAH ) 1.0  -62.8   12.8 2
assign (resid 323 and name C   and segid PAH ) (resid 324 and name N   and segid PAH )
       (resid 324 and name CA  and segid PAH ) (resid 324 and name C   and segid PAH ) 1.0  -66.2   22.9 2
assign (resid 324 and name C   and segid PAH ) (resid 325 and name N   and segid PAH )
       (resid 325 and name CA  and segid PAH ) (resid 325 and name C   and segid PAH ) 1.0  -57.9   10.6 2
assign (resid 325 and name C   and segid PAH ) (resid 326 and name N   and segid PAH )
       (resid 326 and name CA  and segid PAH ) (resid 326 and name C   and segid PAH ) 1.0  -63.4   17.6 2
assign (resid 326 and name C   and segid PAH ) (resid 327 and name N   and segid PAH )
       (resid 327 and name CA  and segid PAH ) (resid 327 and name C   and segid PAH ) 1.0  -64.2   13.0 2
assign (resid 327 and name C   and segid PAH ) (resid 328 and name N   and segid PAH )
       (resid 328 and name CA  and segid PAH ) (resid 328 and name C   and segid PAH ) 1.0  -64.0   17.5 2
assign (resid 328 and name C   and segid PAH ) (resid 329 and name N   and segid PAH )
       (resid 329 and name CA  and segid PAH ) (resid 329 and name C   and segid PAH ) 1.0  -59.1   16.8 2
assign (resid 329 and name C   and segid PAH ) (resid 330 and name N   and segid PAH )
       (resid 330 and name CA  and segid PAH ) (resid 330 and name C   and segid PAH ) 1.0  -62.6   16.7 2
assign (resid 330 and name C   and segid PAH ) (resid 331 and name N   and segid PAH )
       (resid 331 and name CA  and segid PAH ) (resid 331 and name C   and segid PAH ) 1.0  -62.5   11.2 2
assign (resid 331 and name C   and segid PAH ) (resid 332 and name N   and segid PAH )
       (resid 332 and name CA  and segid PAH ) (resid 332 and name C   and segid PAH ) 1.0  -62.1   14.9 2
assign (resid 332 and name C   and segid PAH ) (resid 333 and name N   and segid PAH )
       (resid 333 and name CA  and segid PAH ) (resid 333 and name C   and segid PAH ) 1.0  -62.6   15.3 2
assign (resid 333 and name C   and segid PAH ) (resid 334 and name N   and segid PAH )
       (resid 334 and name CA  and segid PAH ) (resid 334 and name C   and segid PAH ) 1.0  -65.3   15.0 2
assign (resid 334 and name C   and segid PAH ) (resid 335 and name N   and segid PAH )
       (resid 335 and name CA  and segid PAH ) (resid 335 and name C   and segid PAH ) 1.0  -58.9   13.2 2
assign (resid 335 and name C   and segid PAH ) (resid 336 and name N   and segid PAH )
       (resid 336 and name CA  and segid PAH ) (resid 336 and name C   and segid PAH ) 1.0  -63.2   15.8 2
assign (resid 336 and name C   and segid PAH ) (resid 337 and name N   and segid PAH )
       (resid 337 and name CA  and segid PAH ) (resid 337 and name C   and segid PAH ) 1.0  -62.6   16.4 2
assign (resid 337 and name C   and segid PAH ) (resid 338 and name N   and segid PAH )
       (resid 338 and name CA  and segid PAH ) (resid 338 and name C   and segid PAH ) 1.0  -65.7   14.9 2
assign (resid 338 and name C   and segid PAH ) (resid 339 and name N   and segid PAH )
       (resid 339 and name CA  and segid PAH ) (resid 339 and name C   and segid PAH ) 1.0  -62.5   17.2 2
assign (resid 339 and name C   and segid PAH ) (resid 340 and name N   and segid PAH )
       (resid 340 and name CA  and segid PAH ) (resid 340 and name C   and segid PAH ) 1.0  -63.1   19.5 2
assign (resid 340 and name C   and segid PAH ) (resid 341 and name N   and segid PAH )
       (resid 341 and name CA  and segid PAH ) (resid 341 and name C   and segid PAH ) 1.0  -64.5   17.7 2
assign (resid 341 and name C   and segid PAH ) (resid 342 and name N   and segid PAH )
       (resid 342 and name CA  and segid PAH ) (resid 342 and name C   and segid PAH ) 1.0  -61.5   20.0 2
assign (resid 342 and name C   and segid PAH ) (resid 343 and name N   and segid PAH )
       (resid 343 and name CA  and segid PAH ) (resid 343 and name C   and segid PAH ) 1.0  -60.8   26.3 2
assign (resid 343 and name C   and segid PAH ) (resid 344 and name N   and segid PAH )
       (resid 344 and name CA  and segid PAH ) (resid 344 and name C   and segid PAH ) 1.0  -65.4   32.0 2
assign (resid 344 and name C   and segid PAH ) (resid 345 and name N   and segid PAH )
       (resid 345 and name CA  and segid PAH ) (resid 345 and name C   and segid PAH ) 1.0  -91.8   28.4 2
assign (resid 352 and name C   and segid PAH ) (resid 353 and name N   and segid PAH )
       (resid 353 and name CA  and segid PAH ) (resid 353 and name C   and segid PAH ) 1.0  -113.3   74.7 2
assign (resid 353 and name C   and segid PAH ) (resid 354 and name N   and segid PAH )
       (resid 354 and name CA  and segid PAH ) (resid 354 and name C   and segid PAH ) 1.0  -100.6   57.9 2
assign (resid 354 and name C   and segid PAH ) (resid 355 and name N   and segid PAH )
       (resid 355 and name CA  and segid PAH ) (resid 355 and name C   and segid PAH ) 1.0  -58.1   15.9 2
assign (resid 355 and name C   and segid PAH ) (resid 356 and name N   and segid PAH )
       (resid 356 and name CA  and segid PAH ) (resid 356 and name C   and segid PAH ) 1.0  -61.0   19.3 2
assign (resid 356 and name C   and segid PAH ) (resid 357 and name N   and segid PAH )
       (resid 357 and name CA  and segid PAH ) (resid 357 and name C   and segid PAH ) 1.0  -64.7    9.3 2
assign (resid 357 and name C   and segid PAH ) (resid 358 and name N   and segid PAH )
       (resid 358 and name CA  and segid PAH ) (resid 358 and name C   and segid PAH ) 1.0  -64.7   12.3 2
assign (resid 358 and name C   and segid PAH ) (resid 359 and name N   and segid PAH )
       (resid 359 and name CA  and segid PAH ) (resid 359 and name C   and segid PAH ) 1.0  -58.2   13.0 2
assign (resid 359 and name C   and segid PAH ) (resid 360 and name N   and segid PAH )
       (resid 360 and name CA  and segid PAH ) (resid 360 and name C   and segid PAH ) 1.0  -58.1   14.9 2
assign (resid 360 and name C   and segid PAH ) (resid 361 and name N   and segid PAH )
       (resid 361 and name CA  and segid PAH ) (resid 361 and name C   and segid PAH ) 1.0  -65.5   15.3 2
assign (resid 361 and name C   and segid PAH ) (resid 362 and name N   and segid PAH )
       (resid 362 and name CA  and segid PAH ) (resid 362 and name C   and segid PAH ) 1.0  -66.3   10.7 2
assign (resid 362 and name C   and segid PAH ) (resid 363 and name N   and segid PAH )
       (resid 363 and name CA  and segid PAH ) (resid 363 and name C   and segid PAH ) 1.0  -59.4   12.1 2
assign (resid 363 and name C   and segid PAH ) (resid 364 and name N   and segid PAH )
       (resid 364 and name CA  and segid PAH ) (resid 364 and name C   and segid PAH ) 1.0  -63.2   27.3 2
assign (resid 364 and name C   and segid PAH ) (resid 365 and name N   and segid PAH )
       (resid 365 and name CA  and segid PAH ) (resid 365 and name C   and segid PAH ) 1.0  -66.0   28.4 2
assign (resid 369 and name C   and segid PAH ) (resid 370 and name N   and segid PAH )
       (resid 370 and name CA  and segid PAH ) (resid 370 and name C   and segid PAH ) 1.0  -57.9   18.6 2
assign (resid 370 and name C   and segid PAH ) (resid 371 and name N   and segid PAH )
       (resid 371 and name CA  and segid PAH ) (resid 371 and name C   and segid PAH ) 1.0  -62.7   20.0 2
assign (resid 371 and name C   and segid PAH ) (resid 372 and name N   and segid PAH )
       (resid 372 and name CA  and segid PAH ) (resid 372 and name C   and segid PAH ) 1.0  -64.5   27.3 2
assign (resid 372 and name C   and segid PAH ) (resid 373 and name N   and segid PAH )
       (resid 373 and name CA  and segid PAH ) (resid 373 and name C   and segid PAH ) 1.0  -64.3   13.7 2
assign (resid 373 and name C   and segid PAH ) (resid 374 and name N   and segid PAH )
       (resid 374 and name CA  and segid PAH ) (resid 374 and name C   and segid PAH ) 1.0  -64.8   16.0 2
assign (resid 374 and name C   and segid PAH ) (resid 375 and name N   and segid PAH )
       (resid 375 and name CA  and segid PAH ) (resid 375 and name C   and segid PAH ) 1.0  -66.1    9.3 2
assign (resid 375 and name C   and segid PAH ) (resid 376 and name N   and segid PAH )
       (resid 376 and name CA  and segid PAH ) (resid 376 and name C   and segid PAH ) 1.0  -62.5   14.1 2
assign (resid 376 and name C   and segid PAH ) (resid 377 and name N   and segid PAH )
       (resid 377 and name CA  and segid PAH ) (resid 377 and name C   and segid PAH ) 1.0  -70.5   40.4 2
assign (resid 302 and name N   and segid PAH ) (resid 302 and name CA  and segid PAH )
       (resid 302 and name C   and segid PAH ) (resid 303 and name N   and segid PAH ) 1.0  -44.0   26.1 2
assign (resid 303 and name N   and segid PAH ) (resid 303 and name CA  and segid PAH )
       (resid 303 and name C   and segid PAH ) (resid 304 and name N   and segid PAH ) 1.0  -40.0   16.2 2
assign (resid 304 and name N   and segid PAH ) (resid 304 and name CA  and segid PAH )
       (resid 304 and name C   and segid PAH ) (resid 305 and name N   and segid PAH ) 1.0  -42.3   23.2 2
assign (resid 305 and name N   and segid PAH ) (resid 305 and name CA  and segid PAH )
       (resid 305 and name C   and segid PAH ) (resid 306 and name N   and segid PAH ) 1.0  -41.5   10.7 2
assign (resid 306 and name N   and segid PAH ) (resid 306 and name CA  and segid PAH )
       (resid 306 and name C   and segid PAH ) (resid 307 and name N   and segid PAH ) 1.0  -44.7   21.3 2
assign (resid 307 and name N   and segid PAH ) (resid 307 and name CA  and segid PAH )
       (resid 307 and name C   and segid PAH ) (resid 308 and name N   and segid PAH ) 1.0  -43.4   14.8 2
assign (resid 308 and name N   and segid PAH ) (resid 308 and name CA  and segid PAH )
       (resid 308 and name C   and segid PAH ) (resid 309 and name N   and segid PAH ) 1.0  -45.0   22.2 2
assign (resid 309 and name N   and segid PAH ) (resid 309 and name CA  and segid PAH )
       (resid 309 and name C   and segid PAH ) (resid 310 and name N   and segid PAH ) 1.0  -44.1   19.9 2
assign (resid 310 and name N   and segid PAH ) (resid 310 and name CA  and segid PAH )
       (resid 310 and name C   and segid PAH ) (resid 311 and name N   and segid PAH ) 1.0  -41.6   13.8 2
assign (resid 311 and name N   and segid PAH ) (resid 311 and name CA  and segid PAH )
       (resid 311 and name C   and segid PAH ) (resid 312 and name N   and segid PAH ) 1.0  -45.4   17.8 2
assign (resid 312 and name N   and segid PAH ) (resid 312 and name CA  and segid PAH )
       (resid 312 and name C   and segid PAH ) (resid 313 and name N   and segid PAH ) 1.0  -41.5   13.4 2
assign (resid 313 and name N   and segid PAH ) (resid 313 and name CA  and segid PAH )
       (resid 313 and name C   and segid PAH ) (resid 314 and name N   and segid PAH ) 1.0  -40.9   11.3 2
assign (resid 314 and name N   and segid PAH ) (resid 314 and name CA  and segid PAH )
       (resid 314 and name C   and segid PAH ) (resid 315 and name N   and segid PAH ) 1.0  -44.8   10.5 2
assign (resid 315 and name N   and segid PAH ) (resid 315 and name CA  and segid PAH )
       (resid 315 and name C   and segid PAH ) (resid 316 and name N   and segid PAH ) 1.0  -45.4   13.5 2
assign (resid 316 and name N   and segid PAH ) (resid 316 and name CA  and segid PAH )
       (resid 316 and name C   and segid PAH ) (resid 317 and name N   and segid PAH ) 1.0  -35.8   32.2 2
assign (resid 317 and name N   and segid PAH ) (resid 317 and name CA  and segid PAH )
       (resid 317 and name C   and segid PAH ) (resid 318 and name N   and segid PAH ) 1.0  -34.5   26.4 2
assign (resid 318 and name N   and segid PAH ) (resid 318 and name CA  and segid PAH )
       (resid 318 and name C   and segid PAH ) (resid 319 and name N   and segid PAH ) 1.0  -11.6   59.2 2
assign (resid 319 and name N   and segid PAH ) (resid 319 and name CA  and segid PAH )
       (resid 319 and name C   and segid PAH ) (resid 320 and name N   and segid PAH ) 1.0  -33.4   35.2 2
assign (resid 321 and name N   and segid PAH ) (resid 321 and name CA  and segid PAH )
       (resid 321 and name C   and segid PAH ) (resid 322 and name N   and segid PAH ) 1.0  128.1   86.0 2
assign (resid 323 and name N   and segid PAH ) (resid 323 and name CA  and segid PAH )
       (resid 323 and name C   and segid PAH ) (resid 324 and name N   and segid PAH ) 1.0  -45.6   18.9 2
assign (resid 324 and name N   and segid PAH ) (resid 324 and name CA  and segid PAH )
       (resid 324 and name C   and segid PAH ) (resid 325 and name N   and segid PAH ) 1.0  -40.1   21.0 2
assign (resid 325 and name N   and segid PAH ) (resid 325 and name CA  and segid PAH )
       (resid 325 and name C   and segid PAH ) (resid 326 and name N   and segid PAH ) 1.0  -41.0   17.8 2
assign (resid 326 and name N   and segid PAH ) (resid 326 and name CA  and segid PAH )
       (resid 326 and name C   and segid PAH ) (resid 327 and name N   and segid PAH ) 1.0  -41.5   20.1 2
assign (resid 327 and name N   and segid PAH ) (resid 327 and name CA  and segid PAH )
       (resid 327 and name C   and segid PAH ) (resid 328 and name N   and segid PAH ) 1.0  -41.0   18.8 2
assign (resid 328 and name N   and segid PAH ) (resid 328 and name CA  and segid PAH )
       (resid 328 and name C   and segid PAH ) (resid 329 and name N   and segid PAH ) 1.0  -43.8   21.5 2
assign (resid 329 and name N   and segid PAH ) (resid 329 and name CA  and segid PAH )
       (resid 329 and name C   and segid PAH ) (resid 330 and name N   and segid PAH ) 1.0  -44.0   22.9 2
assign (resid 330 and name N   and segid PAH ) (resid 330 and name CA  and segid PAH )
       (resid 330 and name C   and segid PAH ) (resid 331 and name N   and segid PAH ) 1.0  -40.1   18.2 2
assign (resid 331 and name N   and segid PAH ) (resid 331 and name CA  and segid PAH )
       (resid 331 and name C   and segid PAH ) (resid 332 and name N   and segid PAH ) 1.0  -44.7   12.7 2
assign (resid 332 and name N   and segid PAH ) (resid 332 and name CA  and segid PAH )
       (resid 332 and name C   and segid PAH ) (resid 333 and name N   and segid PAH ) 1.0  -42.2   13.0 2
assign (resid 333 and name N   and segid PAH ) (resid 333 and name CA  and segid PAH )
       (resid 333 and name C   and segid PAH ) (resid 334 and name N   and segid PAH ) 1.0  -46.2   24.5 2
assign (resid 334 and name N   and segid PAH ) (resid 334 and name CA  and segid PAH )
       (resid 334 and name C   and segid PAH ) (resid 335 and name N   and segid PAH ) 1.0  -42.0   13.3 2
assign (resid 335 and name N   and segid PAH ) (resid 335 and name CA  and segid PAH )
       (resid 335 and name C   and segid PAH ) (resid 336 and name N   and segid PAH ) 1.0  -43.9   17.6 2
assign (resid 336 and name N   and segid PAH ) (resid 336 and name CA  and segid PAH )
       (resid 336 and name C   and segid PAH ) (resid 337 and name N   and segid PAH ) 1.0  -40.8   12.2 2
assign (resid 337 and name N   and segid PAH ) (resid 337 and name CA  and segid PAH )
       (resid 337 and name C   and segid PAH ) (resid 338 and name N   and segid PAH ) 1.0  -40.6   12.5 2
assign (resid 338 and name N   and segid PAH ) (resid 338 and name CA  and segid PAH )
       (resid 338 and name C   and segid PAH ) (resid 339 and name N   and segid PAH ) 1.0  -41.5   18.3 2
assign (resid 339 and name N   and segid PAH ) (resid 339 and name CA  and segid PAH )
       (resid 339 and name C   and segid PAH ) (resid 340 and name N   and segid PAH ) 1.0  -45.5   19.5 2
assign (resid 340 and name N   and segid PAH ) (resid 340 and name CA  and segid PAH )
       (resid 340 and name C   and segid PAH ) (resid 341 and name N   and segid PAH ) 1.0  -39.6   15.1 2
assign (resid 341 and name N   and segid PAH ) (resid 341 and name CA  and segid PAH )
       (resid 341 and name C   and segid PAH ) (resid 342 and name N   and segid PAH ) 1.0  -39.5   21.9 2
assign (resid 342 and name N   and segid PAH ) (resid 342 and name CA  and segid PAH )
       (resid 342 and name C   and segid PAH ) (resid 343 and name N   and segid PAH ) 1.0  -41.3   26.6 2
assign (resid 343 and name N   and segid PAH ) (resid 343 and name CA  and segid PAH )
       (resid 343 and name C   and segid PAH ) (resid 344 and name N   and segid PAH ) 1.0  -39.8   32.2 2
assign (resid 344 and name N   and segid PAH ) (resid 344 and name CA  and segid PAH )
       (resid 344 and name C   and segid PAH ) (resid 345 and name N   and segid PAH ) 1.0  -33.6   37.9 2
assign (resid 345 and name N   and segid PAH ) (resid 345 and name CA  and segid PAH )
       (resid 345 and name C   and segid PAH ) (resid 346 and name N   and segid PAH ) 1.0    2.2   45.0 2
assign (resid 353 and name N   and segid PAH ) (resid 353 and name CA  and segid PAH )
       (resid 353 and name C   and segid PAH ) (resid 354 and name N   and segid PAH ) 1.0  140.3   65.2 2
assign (resid 354 and name N   and segid PAH ) (resid 354 and name CA  and segid PAH )
       (resid 354 and name C   and segid PAH ) (resid 355 and name N   and segid PAH ) 1.0  163.8   39.0 2
assign (resid 355 and name N   and segid PAH ) (resid 355 and name CA  and segid PAH )
       (resid 355 and name C   and segid PAH ) (resid 356 and name N   and segid PAH ) 1.0  -40.5   20.5 2
assign (resid 356 and name N   and segid PAH ) (resid 356 and name CA  and segid PAH )
       (resid 356 and name C   and segid PAH ) (resid 357 and name N   and segid PAH ) 1.0  -41.4   12.8 2
assign (resid 357 and name N   and segid PAH ) (resid 357 and name CA  and segid PAH )
       (resid 357 and name C   and segid PAH ) (resid 358 and name N   and segid PAH ) 1.0  -41.9   16.8 2
assign (resid 358 and name N   and segid PAH ) (resid 358 and name CA  and segid PAH )
       (resid 358 and name C   and segid PAH ) (resid 359 and name N   and segid PAH ) 1.0  -44.9   12.9 2
assign (resid 359 and name N   and segid PAH ) (resid 359 and name CA  and segid PAH )
       (resid 359 and name C   and segid PAH ) (resid 360 and name N   and segid PAH ) 1.0  -45.9   20.2 2
assign (resid 360 and name N   and segid PAH ) (resid 360 and name CA  and segid PAH )
       (resid 360 and name C   and segid PAH ) (resid 361 and name N   and segid PAH ) 1.0  -41.5   22.6 2
assign (resid 361 and name N   and segid PAH ) (resid 361 and name CA  and segid PAH )
       (resid 361 and name C   and segid PAH ) (resid 362 and name N   and segid PAH ) 1.0  -41.8   10.1 2
assign (resid 362 and name N   and segid PAH ) (resid 362 and name CA  and segid PAH )
       (resid 362 and name C   and segid PAH ) (resid 363 and name N   and segid PAH ) 1.0  -44.2   14.3 2
assign (resid 363 and name N   and segid PAH ) (resid 363 and name CA  and segid PAH )
       (resid 363 and name C   and segid PAH ) (resid 364 and name N   and segid PAH ) 1.0  -41.6   21.0 2
assign (resid 364 and name N   and segid PAH ) (resid 364 and name CA  and segid PAH )
       (resid 364 and name C   and segid PAH ) (resid 365 and name N   and segid PAH ) 1.0  -42.5   18.8 2
assign (resid 365 and name N   and segid PAH ) (resid 365 and name CA  and segid PAH )
       (resid 365 and name C   and segid PAH ) (resid 366 and name N   and segid PAH ) 1.0  -38.0   31.5 2
assign (resid 370 and name N   and segid PAH ) (resid 370 and name CA  and segid PAH )
       (resid 370 and name C   and segid PAH ) (resid 371 and name N   and segid PAH ) 1.0  -40.2   19.5 2
assign (resid 371 and name N   and segid PAH ) (resid 371 and name CA  and segid PAH )
       (resid 371 and name C   and segid PAH ) (resid 372 and name N   and segid PAH ) 1.0  -39.4   25.9 2
assign (resid 372 and name N   and segid PAH ) (resid 372 and name CA  and segid PAH )
       (resid 372 and name C   and segid PAH ) (resid 373 and name N   and segid PAH ) 1.0  -41.5   19.8 2
assign (resid 373 and name N   and segid PAH ) (resid 373 and name CA  and segid PAH )
       (resid 373 and name C   and segid PAH ) (resid 374 and name N   and segid PAH ) 1.0  -39.0   12.1 2
assign (resid 374 and name N   and segid PAH ) (resid 374 and name CA  and segid PAH )
       (resid 374 and name C   and segid PAH ) (resid 375 and name N   and segid PAH ) 1.0  -39.9   14.7 2
assign (resid 375 and name N   and segid PAH ) (resid 375 and name CA  and segid PAH )
       (resid 375 and name C   and segid PAH ) (resid 376 and name N   and segid PAH ) 1.0  -43.4   18.7 2
assign (resid 376 and name N   and segid PAH ) (resid 376 and name CA  and segid PAH )
       (resid 376 and name C   and segid PAH ) (resid 377 and name N   and segid PAH ) 1.0  -39.5   23.1 2
assign (resid 377 and name N   and segid PAH ) (resid 377 and name CA  and segid PAH )
       (resid 377 and name C   and segid PAH ) (resid 378 and name N   and segid PAH ) 1.0  -36.5   45.0 2
assign (resid   9 and name C   and segid SID ) (resid  10 and name N   and segid SID )
       (resid  10 and name CA  and segid SID ) (resid  10 and name C   and segid SID ) 1.0  -61.2   18.3 2
assign (resid  10 and name C   and segid SID ) (resid  11 and name N   and segid SID )
       (resid  11 and name CA  and segid SID ) (resid  11 and name C   and segid SID ) 1.0  -63.6   26.7 2
assign (resid  11 and name C   and segid SID ) (resid  12 and name N   and segid SID )
       (resid  12 and name CA  and segid SID ) (resid  12 and name C   and segid SID ) 1.0  -64.2   16.5 2
assign (resid  12 and name C   and segid SID ) (resid  13 and name N   and segid SID )
       (resid  13 and name CA  and segid SID ) (resid  13 and name C   and segid SID ) 1.0  -67.8   30.1 2
assign (resid  13 and name C   and segid SID ) (resid  14 and name N   and segid SID )
       (resid  14 and name CA  and segid SID ) (resid  14 and name C   and segid SID ) 1.0  -63.0   15.7 2
assign (resid  14 and name C   and segid SID ) (resid  15 and name N   and segid SID )
       (resid  15 and name CA  and segid SID ) (resid  15 and name C   and segid SID ) 1.0  -64.7   27.1 2
assign (resid  15 and name C   and segid SID ) (resid  16 and name N   and segid SID )
       (resid  16 and name CA  and segid SID ) (resid  16 and name C   and segid SID ) 1.0  -63.7   27.8 2
assign (resid  16 and name C   and segid SID ) (resid  17 and name N   and segid SID )
       (resid  17 and name CA  and segid SID ) (resid  17 and name C   and segid SID ) 1.0  -66.5   42.3 2
assign (resid  17 and name C   and segid SID ) (resid  18 and name N   and segid SID )
       (resid  18 and name CA  and segid SID ) (resid  18 and name C   and segid SID ) 1.0  -69.6   20.9 2
assign (resid  18 and name C   and segid SID ) (resid  19 and name N   and segid SID )
       (resid  19 and name CA  and segid SID ) (resid  19 and name C   and segid SID ) 1.0  -64.3   27.6 2
assign (resid  19 and name C   and segid SID ) (resid  20 and name N   and segid SID )
       (resid  20 and name CA  and segid SID ) (resid  20 and name C   and segid SID ) 1.0  -62.7   13.8 2
assign (resid  10 and name N   and segid SID ) (resid  10 and name CA  and segid SID )
       (resid  10 and name C   and segid SID ) (resid  11 and name N   and segid SID ) 1.0  -42.5   22.0 2
assign (resid  11 and name N   and segid SID ) (resid  11 and name CA  and segid SID )
       (resid  11 and name C   and segid SID ) (resid  12 and name N   and segid SID ) 1.0  -39.0   28.1 2
assign (resid  12 and name N   and segid SID ) (resid  12 and name CA  and segid SID )
       (resid  12 and name C   and segid SID ) (resid  13 and name N   and segid SID ) 1.0  -39.7   23.0 2
assign (resid  13 and name N   and segid SID ) (resid  13 and name CA  and segid SID )
       (resid  13 and name C   and segid SID ) (resid  14 and name N   and segid SID ) 1.0  -41.3   19.0 2
assign (resid  14 and name N   and segid SID ) (resid  14 and name CA  and segid SID )
       (resid  14 and name C   and segid SID ) (resid  15 and name N   and segid SID ) 1.0  -43.6   16.2 2
assign (resid  15 and name N   and segid SID ) (resid  15 and name CA  and segid SID )
       (resid  15 and name C   and segid SID ) (resid  16 and name N   and segid SID ) 1.0  -39.7   42.2 2
assign (resid  16 and name N   and segid SID ) (resid  16 and name CA  and segid SID )
       (resid  16 and name C   and segid SID ) (resid  17 and name N   and segid SID ) 1.0  -42.5   29.6 2
assign (resid  17 and name N   and segid SID ) (resid  17 and name CA  and segid SID )
       (resid  17 and name C   and segid SID ) (resid  18 and name N   and segid SID ) 1.0  -34.1   40.6 2
assign (resid  18 and name N   and segid SID ) (resid  18 and name CA  and segid SID )
       (resid  18 and name C   and segid SID ) (resid  19 and name N   and segid SID ) 1.0  -41.0   18.4 2
assign (resid  19 and name N   and segid SID ) (resid  19 and name CA  and segid SID )
       (resid  19 and name C   and segid SID ) (resid  20 and name N   and segid SID ) 1.0  -42.0   18.5 2
assign (resid  20 and name N   and segid SID ) (resid  20 and name CA  and segid SID )
       (resid  20 and name C   and segid SID ) (resid  21 and name N   and segid SID ) 1.0  -43.8   19.4 2 ASSI {    3}
   (( segid "PAH " and resid 335  and name HA  ))
   (  segid "PAH " and resid 335  and name HD% )
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.36762E-02 ppm1      6.962 ppm2      4.092 CV     1
 ASSI {    5}
   (( segid "PAH " and resid 335  and name HB1 ))
   (  segid "PAH " and resid 335  and name HD% )
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.40730E-02 ppm1      6.961 ppm2      3.252 CV     1
 ASSI {    6}
   (( segid "PAH " and resid 335  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.75792E-02 ppm1      6.960 ppm2      2.988 CV     1
 ASSI {    7}
   (( segid "PAH " and resid 336  and name HA  ))
   (  segid "PAH " and resid 335  and name HD% )
      2.900     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      6.963 ppm2      3.893 CV     1
 ASSI {    9}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "PAH " and resid 335  and name HD% )
      2.700     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.20972E-02 ppm1      6.964 ppm2      1.002 CV     1
 ASSI {   11}
   (  segid "PAH " and resid 353  and name HD1%)
   (  segid "PAH " and resid 335  and name HD% )
      3.000     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      6.965 ppm2      0.930 CV     1
 OR {   11}
   (  segid "PAH " and resid 353  and name HD2%)
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   14}
   (( segid "PAH " and resid 310  and name HB1 ))
   (  segid "PAH " and resid 310  and name HD% )
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.31904E-02 ppm1      6.972 ppm2      3.386 CV     1
 ASSI {   15}
   (( segid "PAH " and resid 342  and name HA  ))
   (  segid "PAH " and resid 349  and name HD% )
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.21134E-02 ppm1      6.943 ppm2      3.947 CV     1
 ASSI {   16}
   (( segid "PAH " and resid 349  and name HA  ))
   (  segid "PAH " and resid 349  and name HD% )
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.39839E-02 ppm1      6.948 ppm2      4.532 CV     1
 ASSI {   17}
   (( segid "PAH " and resid 310  and name HB2 ))
   (  segid "PAH " and resid 310  and name HD% )
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.54172E-02 ppm1      6.973 ppm2      2.929 CV     1
 ASSI {   18}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 310  and name HD% )
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.31499E-02 ppm1      6.972 ppm2      0.378 CV     1
 ASSI {   20}
   (( segid "PAH " and resid 349  and name HB2 ))
   (  segid "PAH " and resid 349  and name HD% )
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.47937E-02 ppm1      6.943 ppm2      2.792 CV     1
 ASSI {   23}
   (  segid "PAH " and resid 311  and name HG1%)
   (  segid "PAH " and resid 310  and name HD% )
      3.500     1.600     1.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.86645E-03 ppm1      6.981 ppm2      1.236 CV     1
 ASSI {   31}
   (  segid "PAH " and resid 349  and name HE% )
   (  segid "PAH " and resid 349  and name HD% )
      1.800     0.400     0.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.24616E-01 ppm1      6.946 ppm2      6.835 CV     1
 ASSI {   35}
   (  segid "PAH " and resid 363  and name HB% )
   (  segid "PAH " and resid 359  and name HD% )
      3.400     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.58625E-03 ppm1      7.126 ppm2      1.264 CV     1
 ASSI {   36}
   (  segid "PAH " and resid 360  and name HB% )
   (  segid "PAH " and resid 359  and name HD% )
      3.600     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.54738E-03 ppm1      7.126 ppm2      1.562 CV     1
 ASSI {   37}
   (( segid "PAH " and resid 359  and name HB2 ))
   (  segid "PAH " and resid 359  and name HD% )
      2.600     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.29313E-02 ppm1      7.129 ppm2      3.061 CV     1
 ASSI {   38}
   (( segid "PAH " and resid 359  and name HB1 ))
   (  segid "PAH " and resid 359  and name HD% )
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21054E-02 ppm1      7.128 ppm2      3.255 CV     1
 ASSI {   42}
   (( segid "PAH " and resid 325  and name HA  ))
   (  segid "PAH " and resid 325  and name HD% )
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.38139E-02 ppm1      7.067 ppm2      4.185 CV     1
 ASSI {   43}
   (( segid "PAH " and resid 325  and name HB1 ))
   (  segid "PAH " and resid 325  and name HD% )
      2.100     0.600     0.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.85830E-02 ppm1      7.071 ppm2      3.167 CV     1
 ASSI {   44}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 325  and name HD% )
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.47451E-02 ppm1      7.066 ppm2      0.797 CV     1
 ASSI {   47}
   (  segid "PAH " and resid 329  and name HD1%)
   (  segid "PAH " and resid 325  and name HD% )
      3.300     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.78789E-03 ppm1      7.068 ppm2      0.636 CV     1
 ASSI {   53}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 379  and name HD% )
      4.000     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.23239E-03 ppm1      7.216 ppm2      0.812 CV     1
 ASSI {   56}
   (( segid "PAH " and resid 314  and name HA  ))
   (  segid "PAH " and resid 318  and name HD% )
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.52147E-03 ppm1      7.315 ppm2      3.130 CV     1
 ASSI {   57}
   (( segid "PAH " and resid 318  and name HB2 ))
   (  segid "PAH " and resid 318  and name HD% )
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.21215E-02 ppm1      7.314 ppm2      2.474 CV     1
 ASSI {   58}
   (( segid "PAH " and resid 321  and name HB1 ))
   (  segid "PAH " and resid 318  and name HD% )
      3.400     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.87453E-03 ppm1      7.314 ppm2      2.385 CV     1
 OR {   58}
   (( segid "PAH " and resid 321  and name HG2 ))
   (  segid "PAH " and resid 318  and name HD% )
 ASSI {   67}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 379  and name HE% )
      3.600     1.700     1.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.41620E-03 ppm1      6.808 ppm2      0.393 CV     1
 ASSI {   71}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 328  and name HD% )
      3.700     1.700     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.36681E-03 ppm1      6.842 ppm2     -0.327 CV     1
 ASSI {   72}
   (( segid "PAH " and resid 329  and name HG  ))
   (  segid "PAH " and resid 328  and name HD% )
      3.700     1.700     1.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.37491E-03 ppm1      6.837 ppm2      1.358 CV     1
 ASSI {   76}
   (( segid "PAH " and resid 376  and name HA  ))
   (  segid "PAH " and resid 376  and name HD% )
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.24940E-02 ppm1      7.412 ppm2      4.374 CV     1
 ASSI {   78}
   (( segid "PAH " and resid 376  and name HB2 ))
   (  segid "PAH " and resid 376  and name HD% )
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.21944E-02 ppm1      7.415 ppm2      3.365 CV     1
 ASSI {   80}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 376  and name HD% )
      3.600     1.600     1.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.46560E-03 ppm1      7.417 ppm2     -0.315 CV     1
 ASSI {   85}
   (( segid "PAH " and resid 304  and name HB2 ))
   (  segid "PAH " and resid 304  and name HD% )
      3.000     1.100     1.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      7.170 ppm2      3.046 CV     1
 ASSI {   88}
   (  segid "PAH " and resid 308  and name HD1%)
   (  segid "PAH " and resid 304  and name HD% )
      3.900     1.900     1.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.31661E-03 ppm1      7.173 ppm2      0.495 CV     1
 ASSI {   91}
   (( segid "SID " and resid 14   and name HB1 ))
   (  segid "PAH " and resid 304  and name HE% )
      3.400     1.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.51661E-03 ppm1      7.052 ppm2      2.406 CV     1
 ASSI {   93}
   (  segid "SID " and resid 15   and name HB% )
   (  segid "PAH " and resid 304  and name HE% )
      4.300     2.300     1.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17733E-03 ppm1      7.050 ppm2      1.309 CV     1
 ASSI {  102}
   (  segid "PAH " and resid 324  and name HG2%)
   (  segid "PAH " and resid 318  and name HE% )
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.60569E-03 ppm1      6.941 ppm2      0.000 CV     1
 ASSI {  108}
   (( segid "PAH " and resid 314  and name HG12))
   (  segid "PAH " and resid 318  and name HE% )
      4.400     2.400     1.600 peak   108 spectrum    1 weight  0.10000E+01 volume  0.18948E-03 ppm1      6.923 ppm2      0.310 CV     1
 ASSI {  111}
   (( segid "PAH " and resid 359  and name HA  ))
   (  segid "PAH " and resid 376  and name HE% )
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.12794E-02 ppm1      7.099 ppm2      3.897 CV     1
 ASSI {  113}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 376  and name HE% )
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.19110E-02 ppm1      7.107 ppm2      0.560 CV     1
 ASSI {  117}
   (  segid "PAH " and resid 324  and name HG2%)
   (  segid "PAH " and resid 366  and name HE% )
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      6.694 ppm2      0.010 CV     1
 ASSI {  120}
   (  segid "SID " and resid 12   and name HD1%)
   (( segid "PAH " and resid 328  and name HZ  ))
      3.400     1.400     1.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67775E-03 ppm1      7.188 ppm2      0.815 CV     1
 ASSI {  125}
   (( segid "PAH " and resid 373  and name HA  ))
   (  segid "PAH " and resid 366  and name HD% )
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11174E-02 ppm1      6.626 ppm2      4.429 CV     1
 ASSI {  127}
   (( segid "PAH " and resid 366  and name HB2 ))
   (  segid "PAH " and resid 366  and name HD% )
      2.800     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.14737E-02 ppm1      6.629 ppm2      2.942 CV     1
 ASSI {  128}
   (( segid "PAH " and resid 373  and name HB2 ))
   (  segid "PAH " and resid 366  and name HD% )
      3.300     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.71662E-03 ppm1      6.627 ppm2      1.722 CV     1
 ASSI {  129}
   (( segid "PAH " and resid 372  and name HB1 ))
   (  segid "PAH " and resid 366  and name HD% )
      3.300     1.300     1.300 peak   129 spectrum    1 weight  0.10000E+01 volume  0.78301E-03 ppm1      6.629 ppm2      1.653 CV     1
 ASSI {  130}
   (( segid "PAH " and resid 365  and name HB2 ))
   (  segid "PAH " and resid 366  and name HD% )
      3.200     1.300     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.79356E-03 ppm1      6.625 ppm2      1.317 CV     1
 ASSI {  137}
   (( segid "SID " and resid 15   and name HA  ))
   (( segid "PAH " and resid 304  and name HZ  ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.11984E-02 ppm1      6.846 ppm2      4.109 CV     1
 ASSI {  138}
   (( segid "SID " and resid 18   and name HB1 ))
   (( segid "PAH " and resid 304  and name HZ  ))
      3.700     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.38949E-03 ppm1      6.844 ppm2      3.521 CV     1
 ASSI {  139}
   (( segid "SID " and resid 18   and name HB2 ))
   (( segid "PAH " and resid 304  and name HZ  ))
      3.600     1.600     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.50285E-03 ppm1      6.846 ppm2      3.426 CV     1
 ASSI {  146}
   (  segid "SID " and resid 9    and name HD1%)
   (( segid "PAH " and resid 376  and name HZ  ))
      3.100     1.200     1.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      6.835 ppm2      0.616 CV     1
 ASSI {  147}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 376  and name HZ  ))
      3.300     1.400     1.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      6.836 ppm2      0.569 CV     1
 ASSI {  148}
   (  segid "PAH " and resid 308  and name HD1%)
   (( segid "PAH " and resid 304  and name HZ  ))
      3.100     1.200     1.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.12308E-02 ppm1      6.836 ppm2      0.507 CV     1
 ASSI {  149}
   (( segid "PAH " and resid 369  and name HG2 ))
   (( segid "PAH " and resid 318  and name HZ  ))
      3.300     1.400     1.400 peak   149 spectrum    1 weight  0.10000E+01 volume  0.84216E-03 ppm1      6.885 ppm2      2.288 CV     1
 ASSI {  150}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 318  and name HZ  ))
      4.200     2.200     1.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.29880E-03 ppm1      6.884 ppm2      2.480 CV     1
 ASSI {  155}
   (( segid "PAH " and resid 307  and name HA  ))
   (( segid "PAH " and resid 379  and name HZ  ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11256E-02 ppm1      6.618 ppm2      4.159 CV     1
 ASSI {  157}
   (  segid "SID " and resid 12   and name HD2%)
   (( segid "PAH " and resid 379  and name HZ  ))
      4.000     2.000     2.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.25750E-03 ppm1      6.625 ppm2      0.382 CV     1
 ASSI {  160}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 333  and name HD2 ))
      3.500     1.600     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.56763E-03 ppm1      7.191 ppm2      4.270 CV     1
 ASSI {  161}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 333  and name HD2 ))
      4.300     2.300     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.21539E-03 ppm1      7.191 ppm2      4.124 CV     1
 ASSI {  162}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 333  and name HD2 ))
      3.700     1.700     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.40325E-03 ppm1      7.179 ppm2      3.459 CV     1
 ASSI {  163}
   (( segid "PAH " and resid 333  and name HB1 ))
   (( segid "PAH " and resid 333  and name HD2 ))
      4.100     2.100     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.34657E-03 ppm1      7.184 ppm2      3.337 CV     1
 ASSI {  164}
   (( segid "PAH " and resid 333  and name HB2 ))
   (( segid "PAH " and resid 333  and name HD2 ))
      3.800     1.800     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.30284E-03 ppm1      7.192 ppm2      3.258 CV     1
 ASSI {  165}
   (( segid "PAH " and resid 329  and name HB2 ))
   (( segid "PAH " and resid 333  and name HD2 ))
      5.200     3.300     0.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.12470E-03 ppm1      7.183 ppm2      1.120 CV     1
 ASSI {  167}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 333  and name HD2 ))
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.70367E-03 ppm1      7.190 ppm2      0.532 CV     1
 ASSI {  169}
   (( segid "PAH " and resid 306  and name HB1 ))
   (( segid "PAH " and resid 306  and name HD2 ))
      3.800     1.800     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.36277E-03 ppm1      7.373 ppm2      3.538 CV     1
 ASSI {  170}
   (( segid "PAH " and resid 306  and name HB2 ))
   (( segid "PAH " and resid 306  and name HD2 ))
      3.700     1.700     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.46155E-03 ppm1      7.375 ppm2      3.416 CV     1
 ASSI {  171}
   (( segid "PAH " and resid 351  and name HA  ))
   (  segid "PAH " and resid 349  and name HE% )
      2.400     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.42269E-02 ppm1      6.839 ppm2      4.402 CV     1
 ASSI {  172}
   (( segid "PAH " and resid 338  and name HA  ))
   (  segid "PAH " and resid 349  and name HE% )
      3.500     1.500     1.500 peak   172 spectrum    1 weight  0.10000E+01 volume  0.59921E-03 ppm1      6.842 ppm2      4.178 CV     1
 ASSI {  173}
   (( segid "PAH " and resid 342  and name HA  ))
   (  segid "PAH " and resid 349  and name HE% )
      3.700     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.51904E-03 ppm1      6.845 ppm2      3.943 CV     1
 ASSI {  174}
   (( segid "PAH " and resid 349  and name HB1 ))
   (  segid "PAH " and resid 349  and name HE% )
      4.400     2.400     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.34495E-03 ppm1      6.848 ppm2      2.964 CV     1
 ASSI {  177}
   (( segid "PAH " and resid 351  and name HB1 ))
   (  segid "PAH " and resid 349  and name HE% )
      3.100     1.200     1.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.11256E-02 ppm1      6.846 ppm2      2.331 CV     1
 ASSI {  178}
   (( segid "PAH " and resid 338  and name HB2 ))
   (  segid "PAH " and resid 349  and name HE% )
      3.500     1.600     1.600 peak   178 spectrum    1 weight  0.10000E+01 volume  0.56763E-03 ppm1      6.845 ppm2      2.255 CV     1
 OR {  178}
   (( segid "PAH " and resid 338  and name HB1 ))
   (  segid "PAH " and resid 349  and name HE% )
 ASSI {  186}
   (( segid "PAH " and resid 354  and name HA  ))
   (  segid "PAH " and resid 335  and name HE% )
      3.400     1.400     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.69556E-03 ppm1      6.767 ppm2      4.754 CV     1
 ASSI {  187}
   (( segid "PAH " and resid 372  and name HA  ))
   (  segid "PAH " and resid 310  and name HE% )
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.39191E-02 ppm1      6.793 ppm2      4.370 CV     1
 ASSI {  189}
   (( segid "PAH " and resid 355  and name HA  ))
   (  segid "PAH " and resid 335  and name HE% )
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.73202E-03 ppm1      6.766 ppm2      3.729 CV     1
 ASSI {  191}
   (( segid "SID " and resid 6    and name HD1 ))
   (  segid "PAH " and resid 335  and name HE% )
      3.200     1.300     1.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.93119E-03 ppm1      6.765 ppm2      3.198 CV     1
 OR {  191}
   (( segid "SID " and resid 6    and name HD2 ))
   (  segid "PAH " and resid 335  and name HE% )
 ASSI {  193}
   (( segid "PAH " and resid 355  and name HG1 ))
   (  segid "PAH " and resid 335  and name HE% )
      3.100     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      6.763 ppm2      2.458 CV     1
 ASSI {  199}
   (( segid "PAH " and resid 315  and name HD1 ))
   (  segid "PAH " and resid 325  and name HE% )
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.17814E-02 ppm1      6.759 ppm2      1.444 CV     1
 OR {  199}
   (( segid "PAH " and resid 315  and name HD2 ))
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  207}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 310  and name HE% )
      3.500     1.500     1.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.88260E-03 ppm1      6.788 ppm2      0.373 CV     1
 ASSI {  210}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 310  and name HE% )
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.20000E-02 ppm1      6.796 ppm2      0.806 CV     1
 ASSI {  211}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 310  and name HE% )
      4.000     2.000     2.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.63969E-03 ppm1      6.786 ppm2      0.968 CV     1
 ASSI {  212}
   (( segid "PAH " and resid 375  and name HB2 ))
   (  segid "PAH " and resid 310  and name HE% )
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.32714E-02 ppm1      6.793 ppm2      1.958 CV     1
 ASSI {  213}
   (( segid "PAH " and resid 375  and name HB1 ))
   (  segid "PAH " and resid 310  and name HE% )
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.32147E-02 ppm1      6.795 ppm2      2.129 CV     1
 ASSI {  217}
   (  segid "PAH " and resid 363  and name HB% )
   (  segid "PAH " and resid 359  and name HE% )
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      6.880 ppm2      1.261 CV     1
 ASSI {  219}
   (  segid "PAH " and resid 373  and name HD2%)
   (  segid "PAH " and resid 359  and name HE% )
      2.800     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      6.882 ppm2      0.811 CV     1
 ASSI {  222}
   (( segid "PAH " and resid 372  and name HB1 ))
   (  segid "PAH " and resid 310  and name HE% )
      3.300     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.82593E-03 ppm1      6.797 ppm2      1.639 CV     1
 ASSI {  223}
   (( segid "PAH " and resid 314  and name HB  ))
   (  segid "PAH " and resid 325  and name HE% )
      3.300     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.74657E-03 ppm1      6.760 ppm2      1.839 CV     1
 ASSI {  225}
   (( segid "PAH " and resid 376  and name HB2 ))
   (  segid "PAH " and resid 359  and name HE% )
      4.700     2.700     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19515E-03 ppm1      6.884 ppm2      3.370 CV     1
 ASSI {  229}
   (( segid "PAH " and resid 314  and name HB  ))
   (  segid "PAH " and resid 325  and name HD% )
      3.400     1.500     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.60569E-03 ppm1      7.065 ppm2      1.856 CV     1
 ASSI {  230}
   (( segid "PAH " and resid 328  and name HB1 ))
   (  segid "PAH " and resid 325  and name HD% )
      3.300     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.69556E-03 ppm1      7.067 ppm2      3.434 CV     1
 ASSI {  231}
   (( segid "PAH " and resid 315  and name HG1 ))
   (  segid "PAH " and resid 325  and name HD% )
      3.400     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.74417E-03 ppm1      7.067 ppm2      0.706 CV     1
 OR {  231}
   (( segid "PAH " and resid 315  and name HG2 ))
   (  segid "PAH " and resid 325  and name HD% )
 ASSI {  232}
   (( segid "PAH " and resid 351  and name HD1 ))
   (  segid "PAH " and resid 349  and name HD% )
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.76847E-03 ppm1      6.945 ppm2      3.776 CV     1
 ASSI {  234}
   (  segid "SID " and resid 11   and name HE% )
   (  segid "PAH " and resid 304  and name HD% )
      4.000     2.000     2.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.26074E-03 ppm1      7.169 ppm2      2.211 CV     1
 ASSI {  240}
   (  segid "SID " and resid 11   and name HE% )
   (  segid "PAH " and resid 379  and name HE% )
      3.900     1.900     1.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.34252E-03 ppm1      6.806 ppm2      2.244 CV     1
 OR {  240}
   (( segid "SID " and resid 11   and name HB2 ))
   (  segid "PAH " and resid 379  and name HE% )
 ASSI {    1}
   (( segid "PAH " and resid 324  and name HA  ))
   (  segid "PAH " and resid 324  and name HG2%)
      2.600     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.34163E-02 ppm1     -0.007 ppm2      3.712 CV     1
 ASSI {    2}
   (( segid "PAH " and resid 324  and name HB  ))
   (  segid "PAH " and resid 324  and name HG2%)
      2.200     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.87751E-02 ppm1     -0.005 ppm2      1.630 CV     1
 ASSI {    4}
   (( segid "PAH " and resid 324  and name HG12))
   (  segid "PAH " and resid 324  and name HG2%)
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.21168E-02 ppm1     -0.008 ppm2      1.218 CV     1
 ASSI {    5}
   (  segid "PAH " and resid 324  and name HD1%)
   (  segid "PAH " and resid 324  and name HG2%)
      2.200     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.93781E-02 ppm1     -0.005 ppm2      0.788 CV     1
 ASSI {   12}
   (( segid "PAH " and resid 361  and name HB2 ))
   (  segid "PAH " and resid 331  and name HD1%)
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.37244E-02 ppm1      0.730 ppm2      2.088 CV     1
 OR {   12}
   (( segid "PAH " and resid 361  and name HB1 ))
   (  segid "PAH " and resid 331  and name HD1%)
 ASSI {   13}
   (( segid "PAH " and resid 331  and name HG11))
   (  segid "PAH " and resid 331  and name HD1%)
      2.100     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.10517E-01 ppm1      0.733 ppm2      1.793 CV     1
 OR {   13}
   (( segid "PAH " and resid 331  and name HB  ))
   (  segid "PAH " and resid 331  and name HD1%)
 ASSI {   15}
   (( segid "PAH " and resid 331  and name HG12))
   (  segid "PAH " and resid 331  and name HD1%)
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.75021E-02 ppm1      0.738 ppm2      1.073 CV     1
 ASSI {   16}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 331  and name HD1%)
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.42669E-02 ppm1      0.734 ppm2      0.516 CV     1
 ASSI {   18}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 331  and name HD1%)
      3.700     1.700     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.37914E-03 ppm1      0.731 ppm2     -0.308 CV     1
 ASSI {   19}
   (( segid "PAH " and resid 377  and name HA1 ))
   (( segid "PAH " and resid 377  and name HA2 ))
      1.800     0.400     0.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.17550E-01 ppm1      3.754 ppm2      4.110 CV     1
 ASSI {   21}
   (( segid "PAH " and resid 311  and name HA  ))
   (  segid "PAH " and resid 314  and name HD1%)
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.39119E-02 ppm1      0.062 ppm2      3.406 CV     1
 ASSI {   22}
   (( segid "PAH " and resid 314  and name HA  ))
   (  segid "PAH " and resid 314  and name HD1%)
      4.000     2.000     2.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.81720E-03 ppm1      0.060 ppm2      3.158 CV     1
 ASSI {   23}
   (( segid "PAH " and resid 314  and name HB  ))
   (  segid "PAH " and resid 314  and name HD1%)
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.37981E-02 ppm1      0.060 ppm2      1.858 CV     1
 ASSI {   24}
   (  segid "PAH " and resid 311  and name HG1%)
   (  segid "PAH " and resid 314  and name HD1%)
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      0.059 ppm2      1.235 CV     1
 ASSI {   25}
   (( segid "PAH " and resid 314  and name HG11))
   (  segid "PAH " and resid 314  and name HD1%)
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.51713E-02 ppm1      0.058 ppm2      1.141 CV     1
 ASSI {   30}
   (( segid "PAH " and resid 314  and name HG12))
   (  segid "PAH " and resid 314  and name HD1%)
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.86412E-02 ppm1      0.063 ppm2      0.337 CV     1
 ASSI {   31}
   (( segid "PAH " and resid 313  and name HB1 ))
   (  segid "PAH " and resid 314  and name HD1%)
      4.200     2.200     1.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.35904E-03 ppm1      0.059 ppm2      1.972 CV     1
 OR {   31}
   (( segid "PAH " and resid 313  and name HB2 ))
   (  segid "PAH " and resid 314  and name HD1%)
 ASSI {   32}
   (( segid "PAH " and resid 305  and name HA  ))
   (  segid "PAH " and resid 308  and name HD1%)
      2.800     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      0.484 ppm2      4.358 CV     1
 ASSI {   33}
   (( segid "SID " and resid 15   and name HA  ))
   (  segid "PAH " and resid 308  and name HD1%)
      3.600     1.600     1.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.68995E-03 ppm1      0.484 ppm2      4.110 CV     1
 ASSI {   34}
   (( segid "PAH " and resid 308  and name HA  ))
   (  segid "PAH " and resid 308  and name HD1%)
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17081E-02 ppm1      0.484 ppm2      3.488 CV     1
 ASSI {   35}
   (( segid "SID " and resid 19   and name HB1 ))
   (  segid "PAH " and resid 308  and name HD1%)
      4.300     2.300     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.26258E-03 ppm1      0.489 ppm2      2.029 CV     1
 OR {   35}
   (( segid "SID " and resid 19   and name HB2 ))
   (  segid "PAH " and resid 308  and name HD1%)
 ASSI {   36}
   (( segid "PAH " and resid 308  and name HB  ))
   (  segid "PAH " and resid 308  and name HD1%)
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.24651E-02 ppm1      0.484 ppm2      1.817 CV     1
 ASSI {   37}
   (  segid "SID " and resid 15   and name HB% )
   (  segid "PAH " and resid 308  and name HD1%)
      3.500     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      0.485 ppm2      1.306 CV     1
 ASSI {   38}
   (( segid "PAH " and resid 308  and name HG11))
   (  segid "PAH " and resid 308  and name HD1%)
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.33827E-02 ppm1      0.486 ppm2      1.214 CV     1
 ASSI {   40}
   (  segid "SID " and resid 19   and name HD2%)
   (  segid "PAH " and resid 308  and name HD1%)
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      0.486 ppm2      0.981 CV     1
 OR {   40}
   (  segid "SID " and resid 19   and name HD1%)
   (  segid "PAH " and resid 308  and name HD1%)
 ASSI {   42}
   (( segid "PAH " and resid 308  and name HG12))
   (  segid "PAH " and resid 308  and name HD1%)
      2.100     0.500     0.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12057E-01 ppm1      0.483 ppm2      0.663 CV     1
 ASSI {   43}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 353  and name HB1 ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.23780E-02 ppm1      1.674 ppm2      4.717 CV     1
 ASSI {   44}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 353  and name HB2 ))
      2.800     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.23244E-02 ppm1      1.582 ppm2      4.720 CV     1
 ASSI {   45}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 353  and name HB2 ))
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.49904E-03 ppm1      1.579 ppm2      4.105 CV     1
 ASSI {   46}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 353  and name HB1 ))
      3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.63837E-03 ppm1      1.677 ppm2      4.109 CV     1
 ASSI {   47}
   (( segid "PAH " and resid 353  and name HB1 ))
   (( segid "PAH " and resid 353  and name HB2 ))
      1.700     0.300     0.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.30612E-01 ppm1      1.575 ppm2      1.695 CV     1
 ASSI {   49}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 353  and name HB1 ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.25254E-02 ppm1      1.675 ppm2      0.940 CV     1
 OR {   49}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 353  and name HB1 ))
 ASSI {   52}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 353  and name HB2 ))
      2.800     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.27330E-02 ppm1      1.576 ppm2      0.942 CV     1
 OR {   52}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 353  and name HB2 ))
 ASSI {   53}
   (( segid "PAH " and resid 320  and name HA1 ))
   (( segid "PAH " and resid 320  and name HA2 ))
      1.900     0.400     0.400 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17952E-01 ppm1      3.854 ppm2      4.223 CV     1
 ASSI {   55}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HD2 ))
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.68325E-02 ppm1      3.220 ppm2      1.594 CV     1
 OR {   55}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HD1 ))
 ASSI {   56}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 340  and name HD1 ))
      2.400     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.64842E-02 ppm1      3.177 ppm2      1.610 CV     1
 OR {   56}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 340  and name HD2 ))
 ASSI {   57}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HD2 ))
      2.400     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.51780E-02 ppm1      3.172 ppm2      1.753 CV     1
 OR {   57}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HD1 ))
 ASSI {   58}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 340  and name HD2 ))
      2.300     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.68325E-02 ppm1      3.173 ppm2      1.928 CV     1
 OR {   58}
   (( segid "PAH " and resid 340  and name HB1 ))
   (( segid "PAH " and resid 340  and name HD2 ))
 OR {   58}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 340  and name HD1 ))
 OR {   58}
   (( segid "PAH " and resid 340  and name HB1 ))
   (( segid "PAH " and resid 340  and name HD1 ))
 ASSI {   59}
   (( segid "PAH " and resid 364  and name HG1 ))
   (( segid "PAH " and resid 364  and name HD1 ))
      2.100     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.11387E-01 ppm1      3.224 ppm2      1.851 CV     1
 OR {   59}
   (( segid "PAH " and resid 364  and name HG1 ))
   (( segid "PAH " and resid 364  and name HD2 ))
 OR {   59}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 364  and name HD1 ))
 OR {   59}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 364  and name HD2 ))
 OR {   59}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 364  and name HD2 ))
 ASSI {   60}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HD1 ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.10249E-02 ppm1      3.172 ppm2      4.060 CV     1
 OR {   60}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HD2 ))
 ASSI {   61}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 340  and name HD2 ))
      3.400     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.77036E-03 ppm1      3.174 ppm2      3.984 CV     1
 OR {   61}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 340  and name HD1 ))
 ASSI {   62}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HD2 ))
      3.700     1.700     1.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.64172E-03 ppm1      3.218 ppm2      4.058 CV     1
 OR {   62}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HD1 ))
 ASSI {   64}
   (( segid "PAH " and resid 365  and name HA  ))
   (  segid "PAH " and resid 324  and name HD1%)
      4.000     2.000     2.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.28603E-03 ppm1      0.764 ppm2      4.051 CV     1
 ASSI {   67}
   (( segid "PAH " and resid 321  and name HB1 ))
   (  segid "PAH " and resid 324  and name HD1%)
      2.900     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.22239E-02 ppm1      0.764 ppm2      2.385 CV     1
 OR {   67}
   (( segid "PAH " and resid 321  and name HG2 ))
   (  segid "PAH " and resid 324  and name HD1%)
 ASSI {   68}
   (( segid "PAH " and resid 321  and name HB2 ))
   (  segid "PAH " and resid 324  and name HD1%)
      3.600     1.600     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.80382E-03 ppm1      0.762 ppm2      2.201 CV     1
 ASSI {   69}
   (( segid "PAH " and resid 324  and name HB  ))
   (  segid "PAH " and resid 324  and name HD1%)
      2.900     1.100     1.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.30277E-02 ppm1      0.764 ppm2      1.616 CV     1
 ASSI {   70}
   (( segid "PAH " and resid 324  and name HG11))
   (  segid "PAH " and resid 324  and name HD1%)
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.47828E-02 ppm1      0.764 ppm2      1.525 CV     1
 ASSI {   71}
   (( segid "PAH " and resid 324  and name HG12))
   (  segid "PAH " and resid 324  and name HD1%)
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.46354E-02 ppm1      0.766 ppm2      1.214 CV     1
 ASSI {   74}
   (( segid "PAH " and resid 380  and name HA  ))
   (( segid "PAH " and resid 380  and name HB2 ))
      3.100     1.200     1.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      1.334 ppm2      4.629 CV     1
 ASSI {   78}
   (( segid "PAH " and resid 362  and name HA  ))
   (( segid "PAH " and resid 365  and name HB1 ))
      3.700     1.700     1.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.98466E-03 ppm1      1.511 ppm2      2.977 CV     1
 ASSI {   79}
   (( segid "PAH " and resid 296  and name HB1 ))
   (( segid "PAH " and resid 296  and name HB2 ))
      1.600     0.300     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.45818E-01 ppm1      1.566 ppm2      1.704 CV     1
 ASSI {   80}
   (( segid "PAH " and resid 365  and name HG  ))
   (( segid "PAH " and resid 365  and name HB2 ))
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.44612E-02 ppm1      1.302 ppm2      1.653 CV     1
 ASSI {   87}
   (  segid "PAH " and resid 296  and name HD2%)
   (( segid "PAH " and resid 296  and name HB2 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.31885E-02 ppm1      1.567 ppm2      0.943 CV     1
 OR {   87}
   (  segid "PAH " and resid 296  and name HD1%)
   (( segid "PAH " and resid 296  and name HB2 ))
 ASSI {   90}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 373  and name HB1 ))
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      2.152 ppm2      0.819 CV     1
 ASSI {   93}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 373  and name HB2 ))
      2.300     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.60354E-02 ppm1      1.721 ppm2      1.896 CV     1
 ASSI {   94}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 373  and name HB1 ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.44143E-02 ppm1      2.153 ppm2      1.895 CV     1
 ASSI {   95}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 373  and name HB1 ))
      1.800     0.400     0.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.15608E-01 ppm1      2.153 ppm2      1.739 CV     1
 ASSI {   97}
   (( segid "PAH " and resid 296  and name HA  ))
   (( segid "PAH " and resid 296  and name HB2 ))
      3.200     1.300     1.300 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13531E-02 ppm1      1.569 ppm2      4.342 CV     1
 ASSI {  101}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 373  and name HB1 ))
      3.300     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      2.154 ppm2      4.004 CV     1
 ASSI {  103}
   (( segid "PAH " and resid 367  and name HD1 ))
   (( segid "PAH " and resid 367  and name HE1 ))
      2.600     0.800     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.38919E-02 ppm1      3.069 ppm2      1.802 CV     1
 OR {  103}
   (( segid "PAH " and resid 367  and name HD2 ))
   (( segid "PAH " and resid 367  and name HE2 ))
 OR {  103}
   (( segid "PAH " and resid 367  and name HD1 ))
   (( segid "PAH " and resid 367  and name HE2 ))
 OR {  103}
   (( segid "PAH " and resid 367  and name HD2 ))
   (( segid "PAH " and resid 367  and name HE1 ))
 ASSI {  104}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HE2 ))
      2.600     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.37244E-02 ppm1      3.069 ppm2      1.508 CV     1
 OR {  104}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HE1 ))
 OR {  104}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HE2 ))
 OR {  104}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HE1 ))
 ASSI {  108}
   (( segid "PAH " and resid 315  and name HD2 ))
   (( segid "PAH " and resid 315  and name HE1 ))
      2.300     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.69665E-02 ppm1      2.813 ppm2      1.450 CV     1
 OR {  108}
   (( segid "PAH " and resid 315  and name HD1 ))
   (( segid "PAH " and resid 315  and name HE2 ))
 OR {  108}
   (( segid "PAH " and resid 315  and name HD1 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 OR {  108}
   (( segid "PAH " and resid 315  and name HD2 ))
   (( segid "PAH " and resid 315  and name HE2 ))
 ASSI {  109}
   (( segid "PAH " and resid 315  and name HG1 ))
   (( segid "PAH " and resid 315  and name HE2 ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.42737E-02 ppm1      2.812 ppm2      0.703 CV     1
 OR {  109}
   (( segid "PAH " and resid 315  and name HG2 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 OR {  109}
   (( segid "PAH " and resid 315  and name HG2 ))
   (( segid "PAH " and resid 315  and name HE2 ))
 OR {  109}
   (( segid "PAH " and resid 315  and name HG1 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 ASSI {  110}
   (  segid "PAH " and resid 334  and name HG2%)
   (( segid "PAH " and resid 337  and name HE1 ))
      3.800     1.800     1.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.51780E-03 ppm1      2.974 ppm2      1.313 CV     1
 OR {  110}
   (  segid "PAH " and resid 334  and name HG2%)
   (( segid "PAH " and resid 337  and name HE2 ))
 ASSI {  111}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HE2 ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      2.967 ppm2      1.744 CV     1
 OR {  111}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HE1 ))
 OR {  111}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HE1 ))
 OR {  111}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HE2 ))
 ASSI {  112}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HE1 ))
      3.700     1.700     1.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.65445E-03 ppm1      2.909 ppm2      2.000 CV     1
 ASSI {  113}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HE2 ))
      3.500     1.500     1.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.95789E-03 ppm1      2.842 ppm2      1.998 CV     1
 ASSI {  114}
   (( segid "PAH " and resid 313  and name HG2 ))
   (( segid "PAH " and resid 313  and name HE1 ))
      3.300     1.400     1.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.75021E-03 ppm1      2.905 ppm2      1.196 CV     1
 ASSI {  115}
   (( segid "PAH " and resid 313  and name HG2 ))
   (( segid "PAH " and resid 313  and name HE2 ))
      3.300     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      2.842 ppm2      1.196 CV     1
 ASSI {  116}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HE1 ))
      3.200     1.300     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.91097E-03 ppm1      2.903 ppm2      0.545 CV     1
 ASSI {  117}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HE2 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.13129E-02 ppm1      2.847 ppm2      0.544 CV     1
 ASSI {  119}
   (( segid "PAH " and resid 313  and name HD2 ))
   (( segid "PAH " and resid 313  and name HE2 ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      2.851 ppm2      1.700 CV     1
 OR {  119}
   (( segid "PAH " and resid 313  and name HD1 ))
   (( segid "PAH " and resid 313  and name HE2 ))
 ASSI {  120}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HE1 ))
      3.300     1.300     1.300 peak   120 spectrum    1 weight  0.10000E+01 volume  0.93112E-03 ppm1      2.904 ppm2      1.607 CV     1
 ASSI {  122}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 372  and name HB1 ))
      2.900     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.16679E-02 ppm1      1.642 ppm2      4.376 CV     1
 ASSI {  123}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 372  and name HB2 ))
      3.000     1.100     1.100 peak   123 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      0.972 ppm2      4.379 CV     1
 ASSI {  124}
   (( segid "PAH " and resid 329  and name HB1 ))
   (( segid "PAH " and resid 329  and name HB2 ))
      1.900     0.400     0.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.14000E-01 ppm1      1.099 ppm2      1.780 CV     1
 ASSI {  125}
   (( segid "PAH " and resid 372  and name HB1 ))
   (( segid "PAH " and resid 372  and name HB2 ))
      1.900     0.400     0.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12861E-01 ppm1      0.972 ppm2      1.648 CV     1
 ASSI {  126}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 329  and name HB2 ))
      2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.29273E-02 ppm1      1.099 ppm2      1.357 CV     1
 ASSI {  127}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 329  and name HB2 ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.57808E-02 ppm1      1.099 ppm2      0.633 CV     1
 OR {  127}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 329  and name HB2 ))
 ASSI {  128}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 372  and name HB2 ))
      3.000     1.100     1.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      0.972 ppm2      0.541 CV     1
 ASSI {  130}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 372  and name HB1 ))
      2.900     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.17550E-02 ppm1      1.635 ppm2      0.231 CV     1
 ASSI {  131}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 372  and name HB1 ))
      3.900     1.900     1.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.61626E-03 ppm1      1.637 ppm2      0.542 CV     1
 ASSI {  134}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 329  and name HB1 ))
      2.900     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.24450E-02 ppm1      1.763 ppm2      1.360 CV     1
 ASSI {  135}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 329  and name HB1 ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1      1.761 ppm2      0.635 CV     1
 OR {  135}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 329  and name HB1 ))
 ASSI {  136}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 329  and name HB2 ))
      2.900     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.26660E-02 ppm1      1.093 ppm2      3.447 CV     1
 ASSI {  137}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 329  and name HB1 ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.15742E-02 ppm1      1.764 ppm2      3.456 CV     1
 ASSI {  139}
   (( segid "PAH " and resid 382  and name HA  ))
   (( segid "PAH " and resid 382  and name HB2 ))
      2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.20832E-02 ppm1      2.512 ppm2      4.541 CV     1
 ASSI {  140}
   (( segid "PAH " and resid 382  and name HA  ))
   (( segid "PAH " and resid 382  and name HB1 ))
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.29139E-02 ppm1      2.695 ppm2      4.545 CV     1
 ASSI {  141}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 349  and name HB2 ))
      2.800     1.000     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.21972E-02 ppm1      2.780 ppm2      1.461 CV     1
 ASSI {  144}
   (( segid "PAH " and resid 349  and name HA  ))
   (( segid "PAH " and resid 349  and name HB2 ))
      2.800     1.000     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17617E-02 ppm1      2.781 ppm2      4.527 CV     1
 ASSI {  146}
   (( segid "PAH " and resid 349  and name HB1 ))
   (( segid "PAH " and resid 349  and name HB2 ))
      1.800     0.400     0.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.20162E-01 ppm1      2.783 ppm2      2.976 CV     1
 ASSI {  151}
   (( segid "PAH " and resid 332  and name HG  ))
   (( segid "PAH " and resid 332  and name HB2 ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.19292E-02 ppm1      1.157 ppm2      1.415 CV     1
 ASSI {  152}
   (( segid "PAH " and resid 332  and name HB1 ))
   (( segid "PAH " and resid 332  and name HB2 ))
      1.900     0.400     0.400 peak   152 spectrum    1 weight  0.10000E+01 volume  0.11790E-01 ppm1      1.160 ppm2      1.723 CV     1
 ASSI {  154}
   (( segid "PAH " and resid 332  and name HA  ))
   (( segid "PAH " and resid 332  and name HB1 ))
      3.000     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.10717E-02 ppm1      1.705 ppm2      3.864 CV     1
 ASSI {  156}
   (( segid "PAH " and resid 332  and name HG  ))
   (( segid "PAH " and resid 332  and name HB1 ))
      2.900     1.100     1.100 peak   156 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      1.711 ppm2      1.407 CV     1
 ASSI {  157}
   (  segid "SID " and resid 9    and name HG2%)
   (( segid "PAH " and resid 332  and name HB1 ))
      3.400     1.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.47225E-03 ppm1      1.710 ppm2      1.014 CV     1
 ASSI {  158}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 354  and name HB  ))
      2.300     0.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.75021E-02 ppm1      4.787 ppm2      1.368 CV     1
 ASSI {  159}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 317  and name HD2 ))
      3.000     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.18421E-02 ppm1      3.007 ppm2      0.536 CV     1
 ASSI {  160}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 317  and name HD1 ))
      2.800     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      3.107 ppm2      0.533 CV     1
 ASSI {  162}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HD2 ))
      3.200     1.300     1.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.81051E-03 ppm1      3.010 ppm2      0.976 CV     1
 ASSI {  163}
   (( segid "PAH " and resid 304  and name HB2 ))
   (( segid "PAH " and resid 304  and name HB1 ))
      1.800     0.400     0.400 peak   163 spectrum    1 weight  0.10000E+01 volume  0.16746E-01 ppm1      3.231 ppm2      3.041 CV     1
 ASSI {  165}
   (( segid "PAH " and resid 317  and name HA  ))
   (( segid "PAH " and resid 317  and name HD1 ))
      2.900     1.000     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.18957E-02 ppm1      3.105 ppm2      3.847 CV     1
 ASSI {  167}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 323  and name HB1 ))
      2.600     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.41531E-02 ppm1      2.716 ppm2      4.410 CV     1
 ASSI {  169}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 376  and name HB2 ))
      1.900     0.400     0.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.13196E-01 ppm1      3.353 ppm2      4.079 CV     1
 ASSI {  170}
   (( segid "PAH " and resid 304  and name HA  ))
   (( segid "PAH " and resid 304  and name HB2 ))
      2.900     1.100     1.100 peak   170 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      3.030 ppm2      4.506 CV     1
 ASSI {  171}
   (( segid "PAH " and resid 304  and name HA  ))
   (( segid "PAH " and resid 304  and name HB1 ))
      3.000     1.100     1.100 peak   171 spectrum    1 weight  0.10000E+01 volume  0.21502E-02 ppm1      3.230 ppm2      4.497 CV     1
 ASSI {  173}
   (( segid "PAH " and resid 299  and name HA  ))
   (( segid "PAH " and resid 299  and name HB2 ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.31684E-02 ppm1      2.769 ppm2      4.723 CV     1
 ASSI {  174}
   (( segid "PAH " and resid 379  and name HB2 ))
   (( segid "PAH " and resid 379  and name HB1 ))
      1.800     0.400     0.400 peak   174 spectrum    1 weight  0.10000E+01 volume  0.17617E-01 ppm1      2.871 ppm2      2.573 CV     1
 ASSI {  177}
   (( segid "PAH " and resid 310  and name HB2 ))
   (( segid "PAH " and resid 310  and name HB1 ))
      1.900     0.400     0.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14000E-01 ppm1      3.374 ppm2      2.940 CV     1
 ASSI {  178}
   (( segid "PAH " and resid 328  and name HB2 ))
   (( segid "PAH " and resid 328  and name HB1 ))
      2.000     0.500     0.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.91097E-02 ppm1      3.446 ppm2      3.021 CV     1
 ASSI {  179}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 312  and name HB2 ))
      3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.11320E-02 ppm1      2.709 ppm2      0.982 CV     1
 OR {  179}
   (  segid "SID " and resid 19   and name HD1%)
   (( segid "PAH " and resid 312  and name HB2 ))
 ASSI {  187}
   (( segid "PAH " and resid 325  and name HA  ))
   (( segid "PAH " and resid 325  and name HB1 ))
      3.300     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      3.162 ppm2      4.194 CV     1
 ASSI {  188}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 310  and name HB1 ))
      2.800     1.000     1.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32421E-02 ppm1      3.364 ppm2      4.453 CV     1
 ASSI {  190}
   (( segid "PAH " and resid 379  and name HA  ))
   (( segid "PAH " and resid 379  and name HB1 ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.18354E-02 ppm1      2.892 ppm2      4.144 CV     1
 ASSI {  195}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 316  and name HB2 ))
      2.600     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.35435E-02 ppm1      2.624 ppm2      4.360 CV     1
 ASSI {  199}
   (( segid "PAH " and resid 348  and name HA  ))
   (( segid "PAH " and resid 348  and name HB2 ))
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.20632E-02 ppm1      2.765 ppm2      4.787 CV     1
 ASSI {  201}
   (( segid "PAH " and resid 306  and name HA  ))
   (( segid "PAH " and resid 309  and name HB2 ))
      3.300     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.91097E-03 ppm1      2.886 ppm2      4.648 CV     1
 ASSI {  203}
   (( segid "PAH " and resid 368  and name HA  ))
   (( segid "PAH " and resid 368  and name HB2 ))
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.21369E-02 ppm1      3.065 ppm2      4.754 CV     1
 ASSI {  206}
   (( segid "PAH " and resid 314  and name HG12))
   (( segid "PAH " and resid 314  and name HB  ))
      3.600     1.600     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.62632E-03 ppm1      1.850 ppm2      0.340 CV     1
 ASSI {  207}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 314  and name HB  ))
      2.300     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.65043E-02 ppm1      1.838 ppm2      0.793 CV     1
 ASSI {  209}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 331  and name HB  ))
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.40057E-02 ppm1      1.795 ppm2      0.742 CV     1
 ASSI {  210}
   (  segid "PAH " and resid 308  and name HG2%)
   (( segid "PAH " and resid 308  and name HB  ))
      2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.47425E-02 ppm1      1.803 ppm2      0.908 CV     1
 ASSI {  212}
   (( segid "PAH " and resid 314  and name HG11))
   (( segid "PAH " and resid 314  and name HB  ))
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.20699E-02 ppm1      1.848 ppm2      1.143 CV     1
 ASSI {  213}
   (( segid "PAH " and resid 308  and name HG11))
   (( segid "PAH " and resid 308  and name HB  ))
      3.000     1.100     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.11387E-02 ppm1      1.803 ppm2      1.199 CV     1
 ASSI {  214}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 314  and name HB  ))
      3.100     1.200     1.200 peak   214 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      1.843 ppm2      3.167 CV     1
 ASSI {  215}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 314  and name HB  ))
      2.800     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.20699E-02 ppm1      1.844 ppm2      3.411 CV     1
 ASSI {  216}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 308  and name HB  ))
      3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      1.801 ppm2      3.484 CV     1
 ASSI {  217}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 331  and name HB  ))
      3.200     1.300     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      1.797 ppm2      3.762 CV     1
 ASSI {  218}
   (( segid "PAH " and resid 328  and name HA  ))
   (( segid "PAH " and resid 331  and name HB  ))
      3.400     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.62564E-03 ppm1      1.794 ppm2      3.902 CV     1
 ASSI {  219}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 318  and name HB2 ))
      2.000     0.500     0.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.11320E-01 ppm1      2.459 ppm2      3.888 CV     1
 ASSI {  222}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 308  and name HB  ))
      2.600     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.34163E-02 ppm1      1.803 ppm2      4.353 CV     1
 ASSI {  225}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 375  and name HG2 ))
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14134E-02 ppm1      1.942 ppm2      4.125 CV     1
 ASSI {  228}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 357  and name HG1 ))
      2.500     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.53254E-02 ppm1      2.369 ppm2      4.262 CV     1
 OR {  228}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 357  and name HG2 ))
 ASSI {  233}
   (  segid "PAH " and resid 352  and name HB% )
   (( segid "PAH " and resid 338  and name HG1 ))
      3.600     1.700     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.53857E-03 ppm1      2.508 ppm2      1.406 CV     1
 ASSI {  239}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 324  and name HB  ))
      3.700     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.50373E-03 ppm1      1.597 ppm2      2.203 CV     1
 ASSI {  240}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 324  and name HB  ))
      4.000     2.000     2.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.36440E-03 ppm1      1.601 ppm2      2.384 CV     1
 OR {  240}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 324  and name HB  ))
 ASSI {  241}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 324  and name HB  ))
      3.800     1.800     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.56937E-03 ppm1      1.601 ppm2      2.467 CV     1
 ASSI {  243}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 324  and name HB  ))
      3.100     1.200     1.200 peak   243 spectrum    1 weight  0.10000E+01 volume  0.97128E-03 ppm1      1.605 ppm2      3.880 CV     1
 ASSI {  247}
   (( segid "PAH " and resid 366  and name HB2 ))
   (( segid "PAH " and resid 366  and name HB1 ))
      1.900     0.400     0.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.13464E-01 ppm1      3.728 ppm2      2.949 CV     1
 ASSI {  250}
   (  segid "PAH " and resid 311  and name HG2%)
   (( segid "PAH " and resid 311  and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.56670E-02 ppm1      3.394 ppm2      1.169 CV     1
 ASSI {  252}
   (  segid "PAH " and resid 362  and name HG2%)
   (( segid "PAH " and resid 362  and name HA  ))
      2.500     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.39186E-02 ppm1      2.962 ppm2     -0.312 CV     1
 ASSI {  253}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 362  and name HA  ))
      2.400     0.700     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.53789E-02 ppm1      2.961 ppm2      0.514 CV     1
 ASSI {  254}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 358  and name HA  ))
      2.300     0.600     0.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.77036E-02 ppm1      3.431 ppm2      0.772 CV     1
 ASSI {  258}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 362  and name HA  ))
      3.100     1.200     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      2.966 ppm2      0.750 CV     1
 ASSI {  259}
   (( segid "PAH " and resid 365  and name HB2 ))
   (( segid "PAH " and resid 362  and name HA  ))
      3.200     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.85074E-03 ppm1      2.964 ppm2      1.320 CV     1
 ASSI {  261}
   (( segid "PAH " and resid 365  and name HG  ))
   (( segid "PAH " and resid 362  and name HA  ))
      3.700     1.700     1.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.43875E-03 ppm1      2.955 ppm2      1.653 CV     1
 ASSI {  262}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 361  and name HG1 ))
      2.400     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.52383E-02 ppm1      2.692 ppm2      2.094 CV     1
 OR {  262}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 361  and name HG1 ))
 ASSI {  263}
   (( segid "PAH " and resid 361  and name HG2 ))
   (( segid "PAH " and resid 361  and name HG1 ))
      1.800     0.400     0.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.19694E-01 ppm1      2.693 ppm2      2.372 CV     1
 ASSI {  264}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 356  and name HG1 ))
      2.800     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.29407E-02 ppm1      2.530 ppm2      4.124 CV     1
 OR {  264}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 356  and name HG2 ))
 ASSI {  267}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 319  and name HG2 ))
      3.500     1.500     1.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      2.444 ppm2      4.362 CV     1
 OR {  267}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 319  and name HG1 ))
 ASSI {  271}
   (( segid "PAH " and resid 378  and name HA  ))
   (( segid "PAH " and resid 378  and name HG2 ))
      3.000     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      2.105 ppm2      3.988 CV     1
 ASSI {  272}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 378  and name HG1 ))
      3.300     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.72344E-03 ppm1      2.193 ppm2      4.124 CV     1
 ASSI {  273}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 378  and name HG2 ))
      3.800     1.800     1.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.59684E-03 ppm1      2.095 ppm2      4.126 CV     1
 ASSI {  276}
   (  segid "PAH " and resid 334  and name HG2%)
   (( segid "PAH " and resid 334  and name HA  ))
      2.600     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.37311E-02 ppm1      3.927 ppm2      1.304 CV     1
 ASSI {  277}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 334  and name HA  ))
      2.700     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.26058E-02 ppm1      3.928 ppm2      1.989 CV     1
 OR {  277}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 334  and name HA  ))
 ASSI {  280}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 331  and name HA  ))
      2.500     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.40593E-02 ppm1      3.740 ppm2      0.813 CV     1
 ASSI {  281}
   (  segid "PAH " and resid 302  and name HG2%)
   (( segid "PAH " and resid 302  and name HA  ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.32890E-02 ppm1      3.864 ppm2      0.930 CV     1
 ASSI {  282}
   (  segid "PAH " and resid 302  and name HG1%)
   (( segid "PAH " and resid 302  and name HA  ))
      2.600     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.35167E-02 ppm1      3.865 ppm2      1.023 CV     1
 ASSI {  283}
   (( segid "PAH " and resid 331  and name HG12))
   (( segid "PAH " and resid 331  and name HA  ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.21972E-02 ppm1      3.742 ppm2      1.077 CV     1
 ASSI {  284}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 331  and name HA  ))
      3.200     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.24785E-02 ppm1      3.743 ppm2      0.750 CV     1
 ASSI {  286}
   (  segid "SID " and resid 15   and name HB% )
   (( segid "PAH " and resid 308  and name HA  ))
      2.500     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.44947E-02 ppm1      3.472 ppm2      1.306 CV     1
 ASSI {  287}
   (( segid "PAH " and resid 308  and name HG11))
   (( segid "PAH " and resid 308  and name HA  ))
      3.000     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.18689E-02 ppm1      3.471 ppm2      1.207 CV     1
 ASSI {  290}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 314  and name HA  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17617E-02 ppm1      3.151 ppm2      0.219 CV     1
 ASSI {  291}
   (( segid "PAH " and resid 314  and name HG12))
   (( segid "PAH " and resid 314  and name HA  ))
      2.900     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.15608E-02 ppm1      3.149 ppm2      0.333 CV     1
 ASSI {  296}
   (( segid "PAH " and resid 331  and name HG11))
   (( segid "PAH " and resid 331  and name HA  ))
      2.600     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.40526E-02 ppm1      3.739 ppm2      1.781 CV     1
 OR {  296}
   (( segid "PAH " and resid 331  and name HB  ))
   (( segid "PAH " and resid 331  and name HA  ))
 ASSI {  297}
   (( segid "PAH " and resid 302  and name HB  ))
   (( segid "PAH " and resid 302  and name HA  ))
      2.900     1.000     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.22574E-02 ppm1      3.865 ppm2      2.084 CV     1
 ASSI {  300}
   (( segid "PAH " and resid 322  and name HB2 ))
   (( segid "PAH " and resid 322  and name HA  ))
      2.700     0.900     0.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.42669E-02 ppm1      4.484 ppm2      2.174 CV     1
 ASSI {  301}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 324  and name HA  ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.45818E-02 ppm1      3.700 ppm2      0.786 CV     1
 ASSI {  302}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 324  and name HA  ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.20699E-02 ppm1      3.700 ppm2      1.216 CV     1
 ASSI {  304}
   (( segid "PAH " and resid 324  and name HB  ))
   (( segid "PAH " and resid 324  and name HA  ))
      2.800     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.21100E-02 ppm1      3.702 ppm2      1.624 CV     1
 ASSI {  305}
   (( segid "PAH " and resid 301  and name HB2 ))
   (( segid "PAH " and resid 301  and name HA  ))
      2.700     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.40928E-02 ppm1      4.505 ppm2      2.082 CV     1
 OR {  305}
   (( segid "PAH " and resid 301  and name HG1 ))
   (( segid "PAH " and resid 301  and name HA  ))
 ASSI {  306}
   (( segid "PAH " and resid 381  and name HB2 ))
   (( segid "PAH " and resid 381  and name HA  ))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.33090E-02 ppm1      4.431 ppm2      1.977 CV     1
 ASSI {  307}
   (( segid "PAH " and resid 381  and name HG2 ))
   (( segid "PAH " and resid 381  and name HA  ))
      3.200     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.21302E-02 ppm1      4.431 ppm2      2.064 CV     1
 OR {  307}
   (( segid "PAH " and resid 381  and name HG1 ))
   (( segid "PAH " and resid 381  and name HA  ))
 ASSI {  309}
   (( segid "PAH " and resid 351  and name HB2 ))
   (( segid "PAH " and resid 351  and name HA  ))
      3.000     1.100     1.100 peak   309 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      4.392 ppm2      1.913 CV     1
 ASSI {  310}
   (( segid "PAH " and resid 362  and name HB  ))
   (( segid "PAH " and resid 359  and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30747E-02 ppm1      3.885 ppm2      1.495 CV     1
 ASSI {  313}
   (( segid "PAH " and resid 355  and name HB2 ))
   (( segid "PAH " and resid 355  and name HA  ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.40794E-02 ppm1      3.718 ppm2      2.029 CV     1
 ASSI {  315}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 328  and name HA  ))
      2.400     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.46689E-02 ppm1      3.890 ppm2      0.768 CV     1
 ASSI {  317}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 355  and name HA  ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.19627E-02 ppm1      3.715 ppm2      0.840 CV     1
 ASSI {  318}
   (( segid "PAH " and resid 382  and name HB1 ))
   (( segid "PAH " and resid 382  and name HB2 ))
      1.700     0.300     0.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.34631E-01 ppm1      2.513 ppm2      2.706 CV     1
 ASSI {  324}
   (  segid "SID " and resid 9    and name HG2%)
   (( segid "PAH " and resid 332  and name HB2 ))
      4.600     2.600     1.400 peak   324 spectrum    1 weight  0.10000E+01 volume  0.47761E-03 ppm1      1.159 ppm2      1.012 CV     1
 ASSI {  325}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 332  and name HB1 ))
      4.400     2.400     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.50708E-03 ppm1      1.720 ppm2      3.454 CV     1
 ASSI {  327}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 332  and name HB1 ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.45885E-03 ppm1      1.706 ppm2      0.651 CV     1
 ASSI {  331}
   (( segid "PAH " and resid 317  and name HD2 ))
   (( segid "PAH " and resid 317  and name HD1 ))
      1.800     0.400     0.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.15742E-01 ppm1      3.106 ppm2      3.022 CV     1
 ASSI {  333}
   (( segid "PAH " and resid 323  and name HB1 ))
   (( segid "PAH " and resid 323  and name HB2 ))
      1.700     0.300     0.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.34230E-01 ppm1      2.601 ppm2      2.730 CV     1
 ASSI {  345}
   (( segid "PAH " and resid 298  and name HA  ))
   (( segid "PAH " and resid 298  and name HB2 ))
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.22775E-02 ppm1      2.728 ppm2      4.642 CV     1
 ASSI {  350}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 341  and name HB1 ))
      2.800     1.000     1.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.26995E-02 ppm1      2.732 ppm2      4.334 CV     1
 ASSI {  351}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 341  and name HB1 ))
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17014E-02 ppm1      2.732 ppm2      4.181 CV     1
 ASSI {  352}
   (  segid "PAH " and resid 350  and name HG2%)
   (( segid "PAH " and resid 350  and name HB  ))
      2.300     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.65914E-02 ppm1      3.863 ppm2      1.144 CV     1
 ASSI {  355}
   (( segid "PAH " and resid 359  and name HA  ))
   (( segid "PAH " and resid 359  and name HB1 ))
      3.000     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.19895E-02 ppm1      3.245 ppm2      3.886 CV     1
 ASSI {  358}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 359  and name HB2 ))
      3.500     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.89759E-03 ppm1      3.028 ppm2      4.113 CV     1
 ASSI {  369}
   (( segid "PAH " and resid 341  and name HB1 ))
   (( segid "PAH " and resid 341  and name HB2 ))
      1.800     0.400     0.400 peak   369 spectrum    1 weight  0.10000E+01 volume  0.20765E-01 ppm1      2.386 ppm2      2.744 CV     1
 ASSI {  376}
   (( segid "PAH " and resid 308  and name HG12))
   (( segid "PAH " and resid 308  and name HB  ))
      3.400     1.500     1.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.93781E-03 ppm1      1.802 ppm2      0.665 CV     1
 ASSI {  379}
   (( segid "PAH " and resid 375  and name HG1 ))
   (( segid "PAH " and resid 375  and name HG2 ))
      1.900     0.400     0.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.15273E-01 ppm1      1.946 ppm2      2.387 CV     1
 ASSI {  380}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 375  and name HG2 ))
      2.300     0.700     0.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.73013E-02 ppm1      1.944 ppm2      2.132 CV     1
 ASSI {  382}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 324  and name HB  ))
      2.200     0.600     0.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      1.604 ppm2      1.522 CV     1
 ASSI {  383}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 324  and name HB  ))
      2.700     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.27397E-02 ppm1      1.602 ppm2      1.216 CV     1
 ASSI {  387}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 366  and name HB1 ))
      3.700     1.700     1.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.95789E-03 ppm1      3.733 ppm2      1.880 CV     1
 ASSI {  389}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 366  and name HB1 ))
      3.800     1.800     1.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.45282E-03 ppm1      3.734 ppm2      1.739 CV     1
 ASSI {  390}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 366  and name HB2 ))
      3.700     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.40124E-03 ppm1      2.938 ppm2      0.811 CV     1
 ASSI {  391}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 366  and name HB2 ))
      3.400     1.400     1.400 peak   391 spectrum    1 weight  0.10000E+01 volume  0.57607E-03 ppm1      2.947 ppm2      1.751 CV     1
 ASSI {  394}
   (( segid "PAH " and resid 366  and name HA  ))
   (( segid "PAH " and resid 366  and name HB2 ))
      3.400     1.400     1.400 peak   394 spectrum    1 weight  0.10000E+01 volume  0.11387E-02 ppm1      2.941 ppm2      4.934 CV     1
 ASSI {  395}
   (( segid "PAH " and resid 358  and name HB  ))
   (( segid "PAH " and resid 358  and name HA  ))
      2.900     1.100     1.100 peak   395 spectrum    1 weight  0.10000E+01 volume  0.18287E-02 ppm1      3.435 ppm2      2.167 CV     1
 ASSI {  396}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 358  and name HA  ))
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.24918E-02 ppm1      3.437 ppm2      2.097 CV     1
 OR {  396}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 358  and name HA  ))
 ASSI {  397}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 321  and name HG1 ))
      2.900     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.18890E-02 ppm1      2.471 ppm2      4.966 CV     1
 ASSI {  398}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 321  and name HG2 ))
      3.100     1.200     1.200 peak   398 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      2.376 ppm2      4.964 CV     1
 ASSI {  399}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 321  and name HG2 ))
      1.500     0.300     0.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.54861E-01 ppm1      2.377 ppm2      2.483 CV     1
 ASSI {  400}
   (( segid "PAH " and resid 356  and name HB1 ))
   (( segid "PAH " and resid 356  and name HG1 ))
      2.300     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.66919E-02 ppm1      2.531 ppm2      2.177 CV     1
 OR {  400}
   (( segid "PAH " and resid 356  and name HB1 ))
   (( segid "PAH " and resid 356  and name HG2 ))
 ASSI {  401}
   (( segid "PAH " and resid 356  and name HB2 ))
   (( segid "PAH " and resid 356  and name HG2 ))
      2.400     0.700     0.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.62363E-02 ppm1      2.528 ppm2      2.106 CV     1
 OR {  401}
   (( segid "PAH " and resid 356  and name HB2 ))
   (( segid "PAH " and resid 356  and name HG1 ))
 ASSI {  403}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 321  and name HG2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1      2.381 ppm2      2.201 CV     1
 ASSI {  404}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 361  and name HG2 ))
      2.100     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.12124E-01 ppm1      2.354 ppm2      2.103 CV     1
 OR {  404}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 361  and name HG2 ))
 ASSI {  407}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 321  and name HG1 ))
      3.700     1.700     1.700 peak   407 spectrum    1 weight  0.10000E+01 volume  0.54995E-03 ppm1      2.482 ppm2      1.521 CV     1
 ASSI {  408}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 321  and name HG2 ))
      3.900     1.900     1.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.36038E-03 ppm1      2.374 ppm2      1.520 CV     1
 ASSI {  409}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 321  and name HG1 ))
      3.400     1.400     1.400 peak   409 spectrum    1 weight  0.10000E+01 volume  0.55129E-03 ppm1      2.475 ppm2      0.784 CV     1
 ASSI {  411}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 336  and name HG1 ))
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.72344E-03 ppm1      2.422 ppm2      0.655 CV     1
 ASSI {  412}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 336  and name HG2 ))
      3.500     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.71675E-03 ppm1      2.330 ppm2      0.655 CV     1
 ASSI {  415}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HA  ))
      2.300     0.700     0.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.56335E-02 ppm1      4.486 ppm2      2.474 CV     1
 ASSI {  416}
   (( segid "PAH " and resid 325  and name HB1 ))
   (( segid "PAH " and resid 322  and name HA  ))
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      4.485 ppm2      3.160 CV     1
 ASSI {  417}
   (( segid "PAH " and resid 305  and name HB1 ))
   (( segid "PAH " and resid 302  and name HA  ))
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.70335E-03 ppm1      3.868 ppm2      2.923 CV     1
 ASSI {  418}
   (( segid "PAH " and resid 305  and name HB2 ))
   (( segid "PAH " and resid 302  and name HA  ))
      4.000     2.000     2.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.25588E-03 ppm1      3.867 ppm2      2.818 CV     1
 ASSI {  419}
   (( segid "PAH " and resid 334  and name HB  ))
   (( segid "PAH " and resid 331  and name HA  ))
      2.800     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.23311E-02 ppm1      3.740 ppm2      4.405 CV     1
 ASSI {  422}
   (( segid "PAH " and resid 300  and name HA  ))
   (( segid "PAH " and resid 300  and name HG1 ))
      3.400     1.400     1.400 peak   422 spectrum    1 weight  0.10000E+01 volume  0.97797E-03 ppm1      2.300 ppm2      4.725 CV     1
 ASSI {  426}
   (( segid "PAH " and resid 351  and name HD1 ))
   (( segid "PAH " and resid 351  and name HB1 ))
      3.500     1.500     1.500 peak   426 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      2.326 ppm2      3.769 CV     1
 OR {  426}
   (( segid "PAH " and resid 351  and name HD2 ))
   (( segid "PAH " and resid 351  and name HB1 ))
 ASSI {  430}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 326  and name HB1 ))
      2.400     0.700     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.63703E-02 ppm1      1.879 ppm2      4.426 CV     1
 OR {  430}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 326  and name HB2 ))
 ASSI {  434}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HB1 ))
      2.300     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.75690E-02 ppm1      1.938 ppm2      4.135 CV     1
 OR {  434}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HB2 ))
 ASSI {  436}
   (( segid "PAH " and resid 351  and name HB1 ))
   (( segid "PAH " and resid 351  and name HB2 ))
      1.800     0.400     0.400 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17416E-01 ppm1      1.895 ppm2      2.340 CV     1
 ASSI {  437}
   (( segid "PAH " and resid 381  and name HB1 ))
   (( segid "PAH " and resid 381  and name HB2 ))
      1.800     0.400     0.400 peak   437 spectrum    1 weight  0.10000E+01 volume  0.16947E-01 ppm1      1.962 ppm2      2.313 CV     1
 ASSI {  438}
   (( segid "PAH " and resid 351  and name HG1 ))
   (( segid "PAH " and resid 351  and name HB1 ))
      2.000     2.000     4.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.12258E-01 ppm1      2.321 ppm2      2.104 CV     1
 ASSI {  439}
   (( segid "PAH " and resid 381  and name HG2 ))
   (( segid "PAH " and resid 381  and name HB1 ))
      2.000     0.500     0.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17282E-01 ppm1      2.298 ppm2      2.062 CV     1
 OR {  439}
   (( segid "PAH " and resid 381  and name HG1 ))
   (( segid "PAH " and resid 381  and name HB1 ))
 ASSI {  442}
   (( segid "PAH " and resid 351  and name HG1 ))
   (( segid "PAH " and resid 351  and name HB2 ))
      2.000     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.31081E-01 ppm1      1.896 ppm2      2.105 CV     1
 ASSI {  443}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HB2 ))
      2.200     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.11120E-01 ppm1      1.882 ppm2      1.712 CV     1
 OR {  443}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HB2 ))
 OR {  443}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HB1 ))
 OR {  443}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HB1 ))
 ASSI {  445}
   (( segid "PAH " and resid 326  and name HG1 ))
   (( segid "PAH " and resid 326  and name HB2 ))
      2.000     0.500     0.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.17885E-01 ppm1      1.883 ppm2      1.657 CV     1
 OR {  445}
   (( segid "PAH " and resid 326  and name HG1 ))
   (( segid "PAH " and resid 326  and name HB1 ))
 ASSI {  449}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HB1 ))
      1.800     0.400     0.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.17885E-01 ppm1      1.609 ppm2      1.360 CV     1
 ASSI {  451}
   (( segid "PAH " and resid 301  and name HA  ))
   (( segid "PAH " and resid 301  and name HB1 ))
      2.300     0.700     0.700 peak   451 spectrum    1 weight  0.10000E+01 volume  0.59483E-02 ppm1      2.393 ppm2      4.519 CV     1
 ASSI {  452}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 381  and name HB1 ))
      2.200     0.600     0.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      2.301 ppm2      4.441 CV     1
 ASSI {  454}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 381  and name HB1 ))
      3.200     1.300     1.300 peak   454 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      2.301 ppm2      3.666 CV     1
 OR {  454}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 381  and name HB1 ))
 ASSI {  455}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 381  and name HB2 ))
      3.800     1.800     1.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.68995E-03 ppm1      1.962 ppm2      3.666 CV     1
 OR {  455}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 381  and name HB2 ))
 ASSI {  457}
   (( segid "PAH " and resid 312  and name HA  ))
   (( segid "PAH " and resid 315  and name HB2 ))
      3.300     1.400     1.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.15406E-02 ppm1      1.355 ppm2      4.376 CV     1
 ASSI {  459}
   (( segid "PAH " and resid 301  and name HA  ))
   (( segid "PAH " and resid 301  and name HB2 ))
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      2.065 ppm2      4.517 CV     1
 ASSI {  463}
   (( segid "PAH " and resid 301  and name HB1 ))
   (( segid "PAH " and resid 301  and name HB2 ))
      1.900     0.400     0.400 peak   463 spectrum    1 weight  0.10000E+01 volume  0.16009E-01 ppm1      2.064 ppm2      2.407 CV     1
 ASSI {  464}
   (( segid "PAH " and resid 301  and name HB2 ))
   (( segid "PAH " and resid 301  and name HB1 ))
      1.800     0.400     0.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.20565E-01 ppm1      2.393 ppm2      2.082 CV     1
 OR {  464}
   (( segid "PAH " and resid 301  and name HG1 ))
   (( segid "PAH " and resid 301  and name HB1 ))
 ASSI {  465}
   (( segid "PAH " and resid 313  and name HG2 ))
   (( segid "PAH " and resid 313  and name HB1 ))
      2.900     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      1.994 ppm2      1.197 CV     1
 ASSI {  467}
   (  segid "PAH " and resid 302  and name HG1%)
   (( segid "PAH " and resid 302  and name HB  ))
      2.400     0.700     0.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.62029E-02 ppm1      2.076 ppm2      1.024 CV     1
 ASSI {  468}
   (  segid "PAH " and resid 302  and name HG2%)
   (( segid "PAH " and resid 302  and name HB  ))
      2.300     0.700     0.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.69665E-02 ppm1      2.075 ppm2      0.935 CV     1
 ASSI {  470}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HB1 ))
      3.400     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.46890E-03 ppm1      1.946 ppm2      0.550 CV     1
 OR {  470}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HB2 ))
 ASSI {  476}
   (( segid "PAH " and resid 304  and name HB2 ))
   (( segid "PAH " and resid 301  and name HA  ))
      3.500     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.63436E-03 ppm1      4.505 ppm2      3.042 CV     1
 ASSI {  477}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 381  and name HA  ))
      3.600     1.600     1.600 peak   477 spectrum    1 weight  0.10000E+01 volume  0.56870E-03 ppm1      4.433 ppm2      3.659 CV     1
 OR {  477}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 381  and name HA  ))
 ASSI {  480}
   (( segid "PAH " and resid 322  and name HD2 ))
   (( segid "PAH " and resid 322  and name HB1 ))
      4.000     2.000     2.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.63167E-03 ppm1      2.462 ppm2      3.497 CV     1
 ASSI {  482}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HB2 ))
      1.800     0.400     0.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.16613E-01 ppm1      2.168 ppm2      2.474 CV     1
 ASSI {  484}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 367  and name HB2 ))
      2.400     0.700     0.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.51713E-02 ppm1      1.894 ppm2      4.057 CV     1
 ASSI {  485}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HB1 ))
      2.400     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.60555E-02 ppm1      2.030 ppm2      1.515 CV     1
 OR {  485}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HB1 ))
 ASSI {  489}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 358  and name HB  ))
      2.200     0.600     0.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.90428E-02 ppm1      2.159 ppm2      0.770 CV     1
 ASSI {  490}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 358  and name HB  ))
      2.300     0.600     0.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.69665E-02 ppm1      2.159 ppm2      0.841 CV     1
 ASSI {  491}
   (  segid "PAH " and resid 311  and name HG2%)
   (( segid "PAH " and resid 311  and name HB  ))
      2.300     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.68325E-02 ppm1      2.089 ppm2      1.169 CV     1
 ASSI {  492}
   (  segid "PAH " and resid 311  and name HG1%)
   (( segid "PAH " and resid 311  and name HB  ))
      2.300     0.700     0.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.61962E-02 ppm1      2.090 ppm2      1.232 CV     1
 ASSI {  493}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 367  and name HB1 ))
      1.400     0.200     0.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.82390E-01 ppm1      2.032 ppm2      1.917 CV     1
 ASSI {  495}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 369  and name HG1 ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21435E-02 ppm1      2.448 ppm2      1.882 CV     1
 ASSI {  496}
   (( segid "PAH " and resid 369  and name HB2 ))
   (( segid "PAH " and resid 369  and name HG1 ))
      2.800     1.000     1.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.21435E-02 ppm1      2.448 ppm2      1.818 CV     1
 ASSI {  497}
   (( segid "PAH " and resid 369  and name HB2 ))
   (( segid "PAH " and resid 369  and name HG2 ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      2.265 ppm2      1.812 CV     1
 ASSI {  498}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 369  and name HG2 ))
      2.900     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      2.264 ppm2      1.890 CV     1
 ASSI {  499}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 321  and name HB1 ))
      1.900     0.400     0.400 peak   499 spectrum    1 weight  0.10000E+01 volume  0.13598E-01 ppm1      2.369 ppm2      2.199 CV     1
 ASSI {  500}
   (( segid "PAH " and resid 369  and name HG2 ))
   (( segid "PAH " and resid 369  and name HG1 ))
      1.900     0.400     0.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.14201E-01 ppm1      2.439 ppm2      2.275 CV     1
 ASSI {  503}
   (( segid "PAH " and resid 322  and name HG2 ))
   (( segid "PAH " and resid 322  and name HB1 ))
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.74352E-02 ppm1      2.458 ppm2      2.096 CV     1
 ASSI {  505}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 358  and name HB  ))
      2.700     0.900     0.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.28000E-02 ppm1      2.159 ppm2      3.728 CV     1
 ASSI {  507}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 321  and name HB2 ))
      3.100     1.200     1.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      2.183 ppm2      4.963 CV     1
 ASSI {  508}
   (( segid "PAH " and resid 359  and name HB2 ))
   (( segid "PAH " and resid 359  and name HA  ))
      2.600     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      3.884 ppm2      3.063 CV     1
 ASSI {  511}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 359  and name HA  ))
      3.300     1.400     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.14402E-02 ppm1      3.882 ppm2      0.513 CV     1
 ASSI {  514}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 351  and name HA  ))
      3.200     1.300     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      4.387 ppm2      2.248 CV     1
 OR {  514}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 351  and name HA  ))
 ASSI {  515}
   (( segid "PAH " and resid 351  and name HB1 ))
   (( segid "PAH " and resid 351  and name HA  ))
      2.300     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.57139E-02 ppm1      4.391 ppm2      2.339 CV     1
 ASSI {  516}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 374  and name HB2 ))
      2.000     0.500     0.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17216E-01 ppm1      4.087 ppm2      4.360 CV     1
 OR {  516}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 374  and name HB1 ))
 ASSI {  517}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 311  and name HB  ))
      3.300     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.82390E-03 ppm1      2.091 ppm2      3.410 CV     1
 ASSI {  518}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 311  and name HB  ))
      3.200     1.300     1.300 peak   518 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      2.092 ppm2      3.483 CV     1
 ASSI {  520}
   (( segid "PAH " and resid 362  and name HA  ))
   (( segid "PAH " and resid 362  and name HB  ))
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.16613E-02 ppm1      1.471 ppm2      2.975 CV     1
 ASSI {  522}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 362  and name HB  ))
      2.300     0.700     0.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.61828E-02 ppm1      1.481 ppm2      0.514 CV     1
 ASSI {  523}
   (  segid "PAH " and resid 362  and name HG2%)
   (( segid "PAH " and resid 362  and name HB  ))
      2.300     0.600     0.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.67655E-02 ppm1      1.477 ppm2     -0.318 CV     1
 ASSI {  525}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 321  and name HB1 ))
      2.100     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.12124E-01 ppm1      2.366 ppm2      2.478 CV     1
 ASSI {  526}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 321  and name HB1 ))
      4.300     2.300     1.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18823E-03 ppm1      2.367 ppm2      1.523 CV     1
 ASSI {  530}
   (  segid "SID " and resid 15   and name HB% )
   (( segid "PAH " and resid 311  and name HB  ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.12460E-02 ppm1      2.084 ppm2      1.307 CV     1
 ASSI {  536}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HD2 ))
      2.300     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.62833E-02 ppm1      1.685 ppm2      1.994 CV     1
 OR {  536}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HD1 ))
 ASSI {  538}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 375  and name HB2 ))
      1.600     0.300     0.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.30947E-01 ppm1      1.947 ppm2      2.133 CV     1
 ASSI {  541}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 321  and name HB2 ))
      2.200     2.200     3.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10249E-01 ppm1      2.183 ppm2      2.478 CV     1
 ASSI {  542}
   (( segid "PAH " and resid 313  and name HE1 ))
   (( segid "PAH " and resid 313  and name HD2 ))
      2.700     0.900     0.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.29474E-02 ppm1      1.685 ppm2      2.914 CV     1
 OR {  542}
   (( segid "PAH " and resid 313  and name HE1 ))
   (( segid "PAH " and resid 313  and name HD1 ))
 ASSI {  544}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HB1 ))
      2.600     0.800     0.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.37043E-02 ppm1      1.868 ppm2      3.234 CV     1
 OR {  544}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HB1 ))
 OR {  544}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HB2 ))
 OR {  544}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HB2 ))
 ASSI {  546}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HD2 ))
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.26058E-02 ppm1      1.685 ppm2      0.547 CV     1
 OR {  546}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HD1 ))
 ASSI {  551}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 357  and name HB1 ))
      2.800     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.24383E-02 ppm1      2.325 ppm2      4.261 CV     1
 ASSI {  557}
   (( segid "PAH " and resid 357  and name HB2 ))
   (( segid "PAH " and resid 357  and name HB1 ))
      1.800     0.400     0.400 peak   557 spectrum    1 weight  0.10000E+01 volume  0.19158E-01 ppm1      2.319 ppm2      2.113 CV     1
 ASSI {  558}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 357  and name HB1 ))
      3.200     1.300     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.97128E-03 ppm1      2.320 ppm2      0.955 CV     1
 OR {  558}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HB1 ))
 ASSI {  563}
   (( segid "PAH " and resid 335  and name HB1 ))
   (( segid "PAH " and resid 335  and name HA  ))
      3.300     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      4.084 ppm2      3.261 CV     1
 ASSI {  564}
   (( segid "PAH " and resid 335  and name HB2 ))
   (( segid "PAH " and resid 335  and name HA  ))
      2.600     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.26258E-02 ppm1      4.086 ppm2      3.006 CV     1
 ASSI {  565}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 335  and name HA  ))
      3.300     1.400     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.81720E-03 ppm1      4.079 ppm2      2.249 CV     1
 OR {  565}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 335  and name HA  ))
 ASSI {  566}
   (( segid "PAH " and resid 355  and name HG2 ))
   (( segid "PAH " and resid 355  and name HA  ))
      2.600     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.33694E-02 ppm1      3.717 ppm2      2.402 CV     1
 ASSI {  567}
   (( segid "PAH " and resid 355  and name HG1 ))
   (( segid "PAH " and resid 355  and name HA  ))
      3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.19627E-02 ppm1      3.718 ppm2      2.485 CV     1
 ASSI {  568}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 344  and name HB1 ))
      3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      2.081 ppm2      4.339 CV     1
 ASSI {  571}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 340  and name HB2 ))
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.25321E-02 ppm1      1.909 ppm2      3.983 CV     1
 OR {  571}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 340  and name HB1 ))
 ASSI {  572}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 370  and name HB1 ))
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.89759E-02 ppm1      2.136 ppm2      4.003 CV     1
 OR {  572}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 370  and name HB2 ))
 ASSI {  577}
   (( segid "PAH " and resid 340  and name HD2 ))
   (( segid "PAH " and resid 340  and name HB2 ))
      2.700     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.29875E-02 ppm1      1.914 ppm2      3.188 CV     1
 OR {  577}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 340  and name HB2 ))
 OR {  577}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 340  and name HB1 ))
 ASSI {  578}
   (( segid "PAH " and resid 338  and name HG1 ))
   (( segid "PAH " and resid 338  and name HB2 ))
      2.200     0.600     0.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.83728E-02 ppm1      2.230 ppm2      2.514 CV     1
 OR {  578}
   (( segid "PAH " and resid 338  and name HG1 ))
   (( segid "PAH " and resid 338  and name HB1 ))
 ASSI {  582}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 300  and name HB1 ))
      1.800     0.400     0.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.31885E-01 ppm1      1.947 ppm2      2.235 CV     1
 OR {  582}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 300  and name HB2 ))
 ASSI {  584}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HD1 ))
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.92443E-02 ppm1      1.697 ppm2      2.000 CV     1
 OR {  584}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HD2 ))
 ASSI {  585}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HB1 ))
      2.000     0.500     0.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.15876E-01 ppm1      1.914 ppm2      1.749 CV     1
 OR {  585}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HB2 ))
 ASSI {  587}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HD1 ))
      2.100     0.500     0.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.12593E-01 ppm1      1.785 ppm2      1.513 CV     1
 OR {  587}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HD2 ))
 OR {  587}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HD1 ))
 OR {  587}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HD2 ))
 ASSI {  590}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 315  and name HD2 ))
      3.100     1.200     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      1.436 ppm2      0.979 CV     1
 OR {  590}
   (  segid "SID " and resid 19   and name HD1%)
   (( segid "PAH " and resid 315  and name HD2 ))
 OR {  590}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 315  and name HD1 ))
 OR {  590}
   (  segid "SID " and resid 19   and name HD1%)
   (( segid "PAH " and resid 315  and name HD1 ))
 ASSI {  591}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HD2 ))
      2.600     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.37177E-02 ppm1      1.436 ppm2      1.619 CV     1
 OR {  591}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HD1 ))
 ASSI {  596}
   (( segid "PAH " and resid 300  and name HA  ))
   (( segid "PAH " and resid 300  and name HB1 ))
      3.200     1.300     1.300 peak   596 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      1.949 ppm2      4.721 CV     1
 OR {  596}
   (( segid "PAH " and resid 300  and name HA  ))
   (( segid "PAH " and resid 300  and name HB2 ))
 ASSI {  598}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 336  and name HB1 ))
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.50440E-02 ppm1      2.167 ppm2      3.901 CV     1
 OR {  598}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 336  and name HB2 ))
 ASSI {  602}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HB2 ))
      2.100     0.600     0.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.12393E-01 ppm1      1.946 ppm2      2.316 CV     1
 OR {  602}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HB1 ))
 ASSI {  603}
   (( segid "PAH " and resid 331  and name HG12))
   (( segid "PAH " and resid 331  and name HG11))
      1.800     0.400     0.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15139E-01 ppm1      1.767 ppm2      1.077 CV     1
 ASSI {  605}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 331  and name HG11))
      2.300     0.700     0.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.54593E-02 ppm1      1.767 ppm2      0.751 CV     1
 ASSI {  606}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 331  and name HG12))
      2.400     0.700     0.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.45885E-02 ppm1      1.061 ppm2      0.814 CV     1
 ASSI {  609}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 336  and name HB1 ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.21636E-02 ppm1      2.175 ppm2      0.656 CV     1
 OR {  609}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 336  and name HB2 ))
 ASSI {  610}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 331  and name HG11))
      3.000     1.100     1.100 peak   610 spectrum    1 weight  0.10000E+01 volume  0.19828E-02 ppm1      1.757 ppm2      3.751 CV     1
 ASSI {  613}
   (( segid "PAH " and resid 297  and name HG1 ))
   (( segid "PAH " and resid 297  and name HB2 ))
      2.700     0.900     0.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.26861E-02 ppm1      1.636 ppm2      2.166 CV     1
 OR {  613}
   (( segid "PAH " and resid 297  and name HG2 ))
   (( segid "PAH " and resid 297  and name HB2 ))
 ASSI {  614}
   (( segid "PAH " and resid 297  and name HG2 ))
   (( segid "PAH " and resid 297  and name HB1 ))
      2.700     0.900     0.900 peak   614 spectrum    1 weight  0.10000E+01 volume  0.34631E-02 ppm1      1.844 ppm2      2.159 CV     1
 OR {  614}
   (( segid "PAH " and resid 297  and name HG1 ))
   (( segid "PAH " and resid 297  and name HB1 ))
 ASSI {  615}
   (( segid "PAH " and resid 297  and name HB1 ))
   (( segid "PAH " and resid 297  and name HB2 ))
      1.800     0.400     0.400 peak   615 spectrum    1 weight  0.10000E+01 volume  0.18019E-01 ppm1      1.636 ppm2      1.860 CV     1
 ASSI {  617}
   (( segid "PAH " and resid 319  and name HG2 ))
   (( segid "PAH " and resid 319  and name HB2 ))
      2.100     0.500     0.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.14469E-01 ppm1      2.109 ppm2      2.458 CV     1
 OR {  617}
   (( segid "PAH " and resid 319  and name HG1 ))
   (( segid "PAH " and resid 319  and name HB2 ))
 ASSI {  618}
   (( segid "PAH " and resid 319  and name HG1 ))
   (( segid "PAH " and resid 319  and name HB1 ))
      2.100     0.500     0.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.14000E-01 ppm1      2.269 ppm2      2.458 CV     1
 OR {  618}
   (( segid "PAH " and resid 319  and name HG2 ))
   (( segid "PAH " and resid 319  and name HB1 ))
 ASSI {  620}
   (( segid "PAH " and resid 319  and name HB2 ))
   (( segid "PAH " and resid 319  and name HB1 ))
      1.600     0.300     0.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.36440E-01 ppm1      2.268 ppm2      2.121 CV     1
 ASSI {  621}
   (( segid "PAH " and resid 355  and name HB1 ))
   (( segid "PAH " and resid 355  and name HB2 ))
      1.700     0.400     0.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.22641E-01 ppm1      2.014 ppm2      2.224 CV     1
 ASSI {  622}
   (( segid "PAH " and resid 355  and name HG2 ))
   (( segid "PAH " and resid 355  and name HB2 ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      2.012 ppm2      2.393 CV     1
 ASSI {  623}
   (( segid "PAH " and resid 355  and name HG1 ))
   (( segid "PAH " and resid 355  and name HB2 ))
      2.300     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.55397E-02 ppm1      2.011 ppm2      2.466 CV     1
 ASSI {  625}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 324  and name HG11))
      1.800     0.400     0.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.16412E-01 ppm1      1.511 ppm2      1.218 CV     1
 ASSI {  627}
   (  segid "SID " and resid 15   and name HB% )
   (( segid "PAH " and resid 308  and name HG11))
      2.800     1.000     1.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.27330E-02 ppm1      1.187 ppm2      1.310 CV     1
 ASSI {  633}
   (( segid "PAH " and resid 297  and name HA  ))
   (( segid "PAH " and resid 297  and name HB1 ))
      3.300     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.79713E-03 ppm1      1.851 ppm2      3.981 CV     1
 ASSI {  637}
   (( segid "PAH " and resid 308  and name HG11))
   (( segid "PAH " and resid 308  and name HG12))
      2.000     0.500     0.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.93781E-02 ppm1      0.649 ppm2      1.199 CV     1
 ASSI {  642}
   (( segid "PAH " and resid 314  and name HG12))
   (( segid "PAH " and resid 314  and name HG11))
      1.900     0.400     0.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.11253E-01 ppm1      1.122 ppm2      0.338 CV     1
 ASSI {  645}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 308  and name HG12))
      2.800     1.000     1.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.16412E-02 ppm1      0.654 ppm2      3.486 CV     1
 ASSI {  651}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 355  and name HB1 ))
      3.400     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.63100E-03 ppm1      2.209 ppm2      0.771 CV     1
 OR {  651}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 355  and name HB1 ))
 ASSI {  652}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 314  and name HG11))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.10182E-02 ppm1      1.121 ppm2      3.160 CV     1
 ASSI {  654}
   (( segid "SID " and resid 15   and name HA  ))
   (( segid "PAH " and resid 308  and name HG12))
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.41062E-03 ppm1      0.653 ppm2      4.121 CV     1
 ASSI {  655}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 333  and name HB1 ))
      3.000     1.100     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.15742E-02 ppm1      3.322 ppm2      4.279 CV     1
 ASSI {  657}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 333  and name HB2 ))
      2.900     1.000     1.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.15406E-02 ppm1      3.246 ppm2      4.143 CV     1
 ASSI {  661}
   (( segid "PAH " and resid 333  and name HB1 ))
   (( segid "PAH " and resid 333  and name HB2 ))
      1.800     0.400     0.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.21569E-01 ppm1      3.246 ppm2      3.337 CV     1
 ASSI {  663}
   (( segid "PAH " and resid 306  and name HB1 ))
   (( segid "PAH " and resid 306  and name HB2 ))
      1.800     0.400     0.400 peak   663 spectrum    1 weight  0.10000E+01 volume  0.23244E-01 ppm1      3.461 ppm2      3.560 CV     1
 ASSI {  665}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 328  and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.17483E-02 ppm1      3.891 ppm2      3.463 CV     1
 ASSI {  666}
   (( segid "PAH " and resid 328  and name HB2 ))
   (( segid "PAH " and resid 328  and name HA  ))
      2.600     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.30077E-02 ppm1      3.888 ppm2      3.015 CV     1
 ASSI {  667}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 354  and name HA  ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.47828E-02 ppm1      4.739 ppm2      1.367 CV     1
 ASSI {  670}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 310  and name HA  ))
      2.500     0.800     0.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.37512E-02 ppm1      4.442 ppm2      1.977 CV     1
 OR {  670}
   (( segid "PAH " and resid 313  and name HB2 ))
   (( segid "PAH " and resid 310  and name HA  ))
 ASSI {  676}
   (( segid "PAH " and resid 376  and name HB2 ))
   (( segid "PAH " and resid 376  and name HA  ))
      2.800     1.000     1.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      4.360 ppm2      3.363 CV     1
 ASSI {  677}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 325  and name HA  ))
      3.100     1.200     1.200 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      4.184 ppm2      3.461 CV     1
 ASSI {  678}
   (( segid "PAH " and resid 325  and name HB1 ))
   (( segid "PAH " and resid 325  and name HA  ))
      2.400     0.700     0.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.52249E-02 ppm1      4.182 ppm2      3.132 CV     1
 OR {  678}
   (( segid "PAH " and resid 325  and name HB2 ))
   (( segid "PAH " and resid 325  and name HA  ))
 ASSI {  679}
   (( segid "PAH " and resid 310  and name HB2 ))
   (( segid "PAH " and resid 310  and name HA  ))
      2.500     0.800     0.800 peak   679 spectrum    1 weight  0.10000E+01 volume  0.35435E-02 ppm1      4.452 ppm2      2.922 CV     1
 ASSI {  683}
   (( segid "PAH " and resid 370  and name HG2 ))
   (( segid "PAH " and resid 370  and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.34163E-02 ppm1      3.993 ppm2      2.442 CV     1
 OR {  683}
   (( segid "PAH " and resid 370  and name HG1 ))
   (( segid "PAH " and resid 370  and name HA  ))
 ASSI {  687}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 324  and name HG11))
      3.000     1.100     1.100 peak   687 spectrum    1 weight  0.10000E+01 volume  0.20966E-02 ppm1      1.510 ppm2      0.006 CV     1
 OR {  687}
   (( segid "PAH " and resid 324  and name HN  ))
   (( segid "PAH " and resid 324  and name HG11))
 ASSI {  689}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 328  and name HA  ))
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.54057E-03 ppm1      3.892 ppm2      1.542 CV     1
 ASSI {  690}
   (( segid "PAH " and resid 331  and name HB  ))
   (( segid "PAH " and resid 328  and name HA  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.91097E-03 ppm1      3.892 ppm2      1.803 CV     1
 OR {  690}
   (( segid "PAH " and resid 331  and name HG11))
   (( segid "PAH " and resid 328  and name HA  ))
 ASSI {  691}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 314  and name HG12))
      2.600     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.25789E-02 ppm1      0.328 ppm2      0.234 CV     1
 ASSI {  693}
   (( segid "PAH " and resid 315  and name HG1 ))
   (( segid "PAH " and resid 315  and name HA  ))
      2.600     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.38718E-02 ppm1      3.165 ppm2      0.704 CV     1
 OR {  693}
   (( segid "PAH " and resid 315  and name HG2 ))
   (( segid "PAH " and resid 315  and name HA  ))
 ASSI {  694}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HA  ))
      2.500     0.800     0.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.37914E-02 ppm1      3.165 ppm2      1.357 CV     1
 ASSI {  699}
   (( segid "PAH " and resid 378  and name HG1 ))
   (( segid "PAH " and resid 378  and name HB1 ))
      2.400     0.700     0.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.47828E-02 ppm1      1.720 ppm2      2.202 CV     1
 OR {  699}
   (( segid "PAH " and resid 378  and name HG1 ))
   (( segid "PAH " and resid 378  and name HB2 ))
 ASSI {  700}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 378  and name HB2 ))
      2.500     0.800     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.47024E-02 ppm1      1.721 ppm2      2.113 CV     1
 OR {  700}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 378  and name HB1 ))
 ASSI {  701}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 324  and name HG11))
      3.200     1.300     1.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11923E-02 ppm1      1.508 ppm2      2.388 CV     1
 OR {  701}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 324  and name HG11))
 ASSI {  702}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 324  and name HG12))
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.38650E-03 ppm1      1.209 ppm2      2.384 CV     1
 OR {  702}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 324  and name HG12))
 ASSI {  705}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HG1 ))
      2.300     0.600     0.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.79713E-02 ppm1      2.110 ppm2      2.462 CV     1
 OR {  705}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HG2 ))
 ASSI {  707}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HG1 ))
      2.600     0.800     0.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.38249E-02 ppm1      1.810 ppm2      3.233 CV     1
 OR {  707}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HG1 ))
 ASSI {  710}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 308  and name HG11))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.50172E-03 ppm1      1.188 ppm2      4.346 CV     1
 ASSI {  711}
   (( segid "PAH " and resid 324  and name HA  ))
   (( segid "PAH " and resid 324  and name HG11))
      3.500     1.500     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      1.509 ppm2      3.717 CV     1
 ASSI {  712}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 355  and name HB1 ))
      2.800     1.000     1.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.18622E-02 ppm1      2.217 ppm2      3.723 CV     1
 ASSI {  715}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 319  and name HB2 ))
      3.000     1.100     1.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      2.109 ppm2      4.357 CV     1
 ASSI {  716}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 319  and name HB1 ))
      3.700     1.700     1.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      2.265 ppm2      4.362 CV     1
 ASSI {  723}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 356  and name HB2 ))
      2.400     0.700     0.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.64172E-02 ppm1      2.095 ppm2      4.122 CV     1
 ASSI {  725}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 333  and name HA  ))
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.86412E-03 ppm1      4.268 ppm2      0.536 CV     1
 ASSI {  726}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 333  and name HA  ))
      2.800     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.23043E-02 ppm1      4.268 ppm2      0.654 CV     1
 ASSI {  727}
   (( segid "PAH " and resid 313  and name HG2 ))
   (( segid "PAH " and resid 313  and name HA  ))
      3.300     1.300     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      3.957 ppm2      1.194 CV     1
 ASSI {  728}
   (( segid "PAH " and resid 326  and name HB1 ))
   (( segid "PAH " and resid 326  and name HA  ))
      2.300     0.700     0.700 peak   728 spectrum    1 weight  0.10000E+01 volume  0.71005E-02 ppm1      3.750 ppm2      1.895 CV     1
 OR {  728}
   (( segid "PAH " and resid 326  and name HB2 ))
   (( segid "PAH " and resid 326  and name HA  ))
 ASSI {  729}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HA  ))
      3.000     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.22574E-02 ppm1      3.165 ppm2      1.630 CV     1
 ASSI {  730}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 370  and name HA  ))
      2.400     0.700     0.700 peak   730 spectrum    1 weight  0.10000E+01 volume  0.42402E-02 ppm1      3.977 ppm2      1.734 CV     1
 ASSI {  731}
   (( segid "PAH " and resid 316  and name HB2 ))
   (( segid "PAH " and resid 313  and name HA  ))
      3.200     1.300     1.300 peak   731 spectrum    1 weight  0.10000E+01 volume  0.14067E-02 ppm1      3.957 ppm2      2.641 CV     1
 ASSI {  732}
   (( segid "PAH " and resid 316  and name HB1 ))
   (( segid "PAH " and resid 313  and name HA  ))
      2.800     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.23311E-02 ppm1      3.958 ppm2      2.764 CV     1
 ASSI {  733}
   (( segid "PAH " and resid 336  and name HB2 ))
   (( segid "PAH " and resid 333  and name HA  ))
      2.600     0.900     0.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.33024E-02 ppm1      4.267 ppm2      2.179 CV     1
 OR {  733}
   (( segid "PAH " and resid 336  and name HB1 ))
   (( segid "PAH " and resid 333  and name HA  ))
 ASSI {  734}
   (( segid "PAH " and resid 333  and name HB2 ))
   (( segid "PAH " and resid 333  and name HA  ))
      2.800     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.25187E-02 ppm1      4.263 ppm2      3.261 CV     1
 ASSI {  737}
   (( segid "PAH " and resid 333  and name HB1 ))
   (( segid "PAH " and resid 330  and name HA  ))
      3.300     1.400     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      4.117 ppm2      3.339 CV     1
 ASSI {  738}
   (( segid "PAH " and resid 356  and name HB1 ))
   (( segid "PAH " and resid 356  and name HA  ))
      2.400     0.700     0.700 peak   738 spectrum    1 weight  0.10000E+01 volume  0.57340E-02 ppm1      4.116 ppm2      2.181 CV     1
 ASSI {  740}
   (( segid "PAH " and resid 303  and name HB1 ))
   (( segid "PAH " and resid 303  and name HA  ))
      2.400     0.700     0.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.65445E-02 ppm1      4.203 ppm2      2.102 CV     1
 OR {  740}
   (( segid "PAH " and resid 303  and name HB2 ))
   (( segid "PAH " and resid 303  and name HA  ))
 ASSI {  741}
   (( segid "PAH " and resid 303  and name HG2 ))
   (( segid "PAH " and resid 303  and name HA  ))
      2.400     0.700     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.61895E-02 ppm1      4.200 ppm2      2.327 CV     1
 ASSI {  744}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 326  and name HA  ))
      2.800     1.000     1.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.22373E-02 ppm1      3.749 ppm2      0.645 CV     1
 ASSI {  745}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HA  ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.14067E-02 ppm1      3.743 ppm2      1.459 CV     1
 ASSI {  746}
   (( segid "PAH " and resid 326  and name HG1 ))
   (( segid "PAH " and resid 326  and name HA  ))
      2.900     1.100     1.100 peak   746 spectrum    1 weight  0.10000E+01 volume  0.19694E-02 ppm1      3.746 ppm2      1.671 CV     1
 OR {  746}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HA  ))
 OR {  746}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HA  ))
 ASSI {  748}
   (( segid "PAH " and resid 361  and name HG2 ))
   (( segid "PAH " and resid 361  and name HA  ))
      2.400     0.700     0.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.45751E-02 ppm1      3.963 ppm2      2.361 CV     1
 ASSI {  749}
   (( segid "PAH " and resid 319  and name HG2 ))
   (( segid "PAH " and resid 319  and name HA  ))
      2.700     0.900     0.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.33962E-02 ppm1      4.068 ppm2      2.459 CV     1
 OR {  749}
   (( segid "PAH " and resid 319  and name HG1 ))
   (( segid "PAH " and resid 319  and name HA  ))
 ASSI {  751}
   (( segid "PAH " and resid 319  and name HB1 ))
   (( segid "PAH " and resid 319  and name HA  ))
      2.600     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.57340E-02 ppm1      4.069 ppm2      2.283 CV     1
 ASSI {  752}
   (( segid "PAH " and resid 330  and name HG2 ))
   (( segid "PAH " and resid 330  and name HA  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.29943E-02 ppm1      4.124 ppm2      2.294 CV     1
 OR {  752}
   (( segid "PAH " and resid 330  and name HG1 ))
   (( segid "PAH " and resid 330  and name HA  ))
 ASSI {  753}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HG1 ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      1.807 ppm2      4.060 CV     1
 ASSI {  758}
   (( segid "PAH " and resid 351  and name HD1 ))
   (( segid "PAH " and resid 351  and name HG2 ))
      2.600     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.35770E-02 ppm1      1.971 ppm2      3.765 CV     1
 OR {  758}
   (( segid "PAH " and resid 351  and name HD2 ))
   (( segid "PAH " and resid 351  and name HG2 ))
 ASSI {  764}
   (( segid "PAH " and resid 317  and name HB1 ))
   (( segid "PAH " and resid 317  and name HB2 ))
      2.000     0.500     0.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10717E-01 ppm1      1.170 ppm2      1.664 CV     1
 ASSI {  766}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HG1 ))
      1.800     0.400     0.400 peak   766 spectrum    1 weight  0.10000E+01 volume  0.18354E-01 ppm1      1.812 ppm2      1.591 CV     1
 ASSI {  767}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 337  and name HA  ))
      1.900     0.500     0.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.18086E-01 ppm1      3.970 ppm2      1.960 CV     1
 ASSI {  768}
   (( segid "PAH " and resid 329  and name HB1 ))
   (( segid "PAH " and resid 326  and name HA  ))
      3.800     1.800     1.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      3.746 ppm2      1.798 CV     1
 ASSI {  769}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 326  and name HA  ))
      3.300     1.300     1.300 peak   769 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      3.743 ppm2      1.365 CV     1
 ASSI {  770}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 337  and name HA  ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      3.971 ppm2      1.449 CV     1
 ASSI {  771}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HA  ))
      2.500     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.40326E-02 ppm1      3.967 ppm2      1.575 CV     1
 ASSI {  772}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HA  ))
      3.400     1.400     1.400 peak   772 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      3.969 ppm2      1.726 CV     1
 OR {  772}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HA  ))
 ASSI {  774}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 361  and name HA  ))
      2.300     0.700     0.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      3.961 ppm2      2.073 CV     1
 OR {  774}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 361  and name HA  ))
 ASSI {  775}
   (( segid "PAH " and resid 303  and name HG1 ))
   (( segid "PAH " and resid 303  and name HA  ))
      2.700     0.900     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.30010E-02 ppm1      4.200 ppm2      2.434 CV     1
 ASSI {  776}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 357  and name HA  ))
      2.200     0.600     0.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1      4.248 ppm2      2.360 CV     1
 OR {  776}
   (( segid "PAH " and resid 357  and name HG1 ))
   (( segid "PAH " and resid 357  and name HA  ))
 OR {  776}
   (( segid "PAH " and resid 357  and name HG2 ))
   (( segid "PAH " and resid 357  and name HA  ))
 ASSI {  777}
   (( segid "PAH " and resid 357  and name HB2 ))
   (( segid "PAH " and resid 357  and name HA  ))
      2.400     0.700     0.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.60153E-02 ppm1      4.253 ppm2      2.111 CV     1
 ASSI {  778}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 317  and name HB1 ))
      3.200     1.300     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11990E-02 ppm1      1.653 ppm2      0.534 CV     1
 ASSI {  780}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HB2 ))
      3.100     1.200     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      1.168 ppm2      0.982 CV     1
 ASSI {  783}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HG2 ))
      1.600     0.300     0.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.35301E-01 ppm1      1.591 ppm2      1.747 CV     1
 ASSI {  787}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 353  and name HG  ))
      3.200     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.95120E-03 ppm1      1.675 ppm2      4.718 CV     1
 ASSI {  788}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HG1 ))
      2.800     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.21369E-02 ppm1      1.735 ppm2      4.059 CV     1
 ASSI {  792}
   (  segid "PAH " and resid 373  and name HD1%)
   (( segid "PAH " and resid 373  and name HG  ))
      2.700     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.23713E-02 ppm1      1.875 ppm2      0.958 CV     1
 ASSI {  793}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 373  and name HG  ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.38852E-02 ppm1      1.881 ppm2      0.821 CV     1
 ASSI {  794}
   (( segid "PAH " and resid 296  and name HA  ))
   (( segid "PAH " and resid 296  and name HG  ))
      3.700     1.700     1.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.47961E-03 ppm1      1.684 ppm2      4.338 CV     1
 ASSI {  795}
   (( segid "PAH " and resid 351  and name HD1 ))
   (( segid "PAH " and resid 350  and name HA  ))
      2.200     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.89089E-02 ppm1      4.547 ppm2      3.735 CV     1
 OR {  795}
   (( segid "PAH " and resid 351  and name HD2 ))
   (( segid "PAH " and resid 350  and name HA  ))
 ASSI {  796}
   (( segid "PAH " and resid 351  and name HD1 ))
   (( segid "PAH " and resid 350  and name HA  ))
      2.100     0.600     0.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.10517E-01 ppm1      4.547 ppm2      3.788 CV     1
 ASSI {  797}
   (( segid "PAH " and resid 350  and name HB  ))
   (( segid "PAH " and resid 350  and name HA  ))
      2.700     0.900     0.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      4.547 ppm2      3.877 CV     1
 ASSI {  800}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HA  ))
      2.500     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.49770E-02 ppm1      4.045 ppm2      1.510 CV     1
 OR {  800}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HA  ))
 ASSI {  808}
   (( segid "PAH " and resid 339  and name HB1 ))
   (( segid "PAH " and resid 339  and name HA  ))
      2.300     0.700     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      3.891 ppm2      2.018 CV     1
 ASSI {  809}
   (( segid "PAH " and resid 336  and name HG2 ))
   (( segid "PAH " and resid 336  and name HA  ))
      3.000     1.100     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.16412E-02 ppm1      3.889 ppm2      2.341 CV     1
 ASSI {  810}
   (( segid "PAH " and resid 336  and name HG1 ))
   (( segid "PAH " and resid 336  and name HA  ))
      3.000     1.100     1.100 peak   810 spectrum    1 weight  0.10000E+01 volume  0.17550E-02 ppm1      3.889 ppm2      2.440 CV     1
 ASSI {  813}
   (( segid "PAH " and resid 361  and name HG1 ))
   (( segid "PAH " and resid 361  and name HA  ))
      3.000     1.100     1.100 peak   813 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      3.960 ppm2      2.705 CV     1
 ASSI {  814}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 338  and name HA  ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.57139E-02 ppm1      4.168 ppm2      2.248 CV     1
 OR {  814}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 338  and name HA  ))
 ASSI {  816}
   (( segid "PAH " and resid 338  and name HG1 ))
   (( segid "PAH " and resid 338  and name HA  ))
      3.000     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.21703E-02 ppm1      4.165 ppm2      2.520 CV     1
 ASSI {  817}
   (( segid "PAH " and resid 375  and name HG1 ))
   (( segid "PAH " and resid 375  and name HA  ))
      2.700     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.33359E-02 ppm1      4.115 ppm2      2.388 CV     1
 ASSI {  818}
   (( segid "PAH " and resid 367  and name HB1 ))
   (( segid "PAH " and resid 367  and name HA  ))
      2.300     0.600     0.600 peak   818 spectrum    1 weight  0.10000E+01 volume  0.10717E-01 ppm1      4.049 ppm2      2.042 CV     1
 ASSI {  824}
   (  segid "PAH " and resid 363  and name HB% )
   (( segid "PAH " and resid 364  and name HA  ))
      3.600     1.600     1.600 peak   824 spectrum    1 weight  0.10000E+01 volume  0.65110E-03 ppm1      4.050 ppm2      1.250 CV     1
 ASSI {  826}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 339  and name HA  ))
      2.300     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.93112E-02 ppm1      3.892 ppm2      1.937 CV     1
 OR {  826}
   (( segid "PAH " and resid 339  and name HG2 ))
   (( segid "PAH " and resid 339  and name HA  ))
 OR {  826}
   (( segid "PAH " and resid 339  and name HG1 ))
   (( segid "PAH " and resid 339  and name HA  ))
 ASSI {  828}
   (( segid "PAH " and resid 306  and name HB1 ))
   (( segid "PAH " and resid 306  and name HA  ))
      3.000     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.15608E-02 ppm1      4.638 ppm2      3.564 CV     1
 ASSI {  829}
   (( segid "PAH " and resid 306  and name HB2 ))
   (( segid "PAH " and resid 306  and name HA  ))
      2.700     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.28201E-02 ppm1      4.639 ppm2      3.478 CV     1
 ASSI {  830}
   (( segid "PAH " and resid 376  and name HB2 ))
   (( segid "PAH " and resid 373  and name HA  ))
      3.200     1.300     1.300 peak   830 spectrum    1 weight  0.10000E+01 volume  0.16613E-02 ppm1      4.416 ppm2      3.361 CV     1
 ASSI {  831}
   (( segid "PAH " and resid 335  and name HB1 ))
   (( segid "PAH " and resid 332  and name HA  ))
      2.900     1.100     1.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.12526E-02 ppm1      3.845 ppm2      3.254 CV     1
 ASSI {  833}
   (( segid "PAH " and resid 349  and name HB1 ))
   (( segid "PAH " and resid 349  and name HA  ))
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.43942E-02 ppm1      4.522 ppm2      2.975 CV     1
 ASSI {  835}
   (( segid "PAH " and resid 309  and name HB1 ))
   (( segid "PAH " and resid 306  and name HA  ))
      3.300     1.400     1.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.91774E-03 ppm1      4.643 ppm2      3.031 CV     1
 ASSI {  838}
   (( segid "PAH " and resid 373  and name HB1 ))
   (( segid "PAH " and resid 373  and name HA  ))
      2.900     1.000     1.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      4.419 ppm2      2.164 CV     1
 ASSI {  839}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 373  and name HA  ))
      3.100     1.200     1.200 peak   839 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      4.418 ppm2      1.893 CV     1
 ASSI {  840}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 373  and name HA  ))
      2.700     0.900     0.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.27665E-02 ppm1      4.419 ppm2      1.739 CV     1
 ASSI {  841}
   (( segid "PAH " and resid 344  and name HG1 ))
   (( segid "PAH " and resid 344  and name HA  ))
      3.000     1.200     1.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      4.158 ppm2      2.393 CV     1
 ASSI {  843}
   (( segid "PAH " and resid 344  and name HB1 ))
   (( segid "PAH " and resid 344  and name HA  ))
      2.600     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.47158E-02 ppm1      4.156 ppm2      2.088 CV     1
 ASSI {  844}
   (( segid "PAH " and resid 344  and name HB2 ))
   (( segid "PAH " and resid 344  and name HA  ))
      2.400     0.700     0.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.53722E-02 ppm1      4.159 ppm2      1.987 CV     1
 ASSI {  845}
   (( segid "PAH " and resid 379  and name HB2 ))
   (( segid "PAH " and resid 379  and name HA  ))
      3.100     1.200     1.200 peak   845 spectrum    1 weight  0.10000E+01 volume  0.16947E-02 ppm1      4.125 ppm2      2.585 CV     1
 ASSI {  847}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HA  ))
      3.100     1.200     1.200 peak   847 spectrum    1 weight  0.10000E+01 volume  0.11923E-02 ppm1      4.124 ppm2      1.548 CV     1
 ASSI {  850}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 339  and name HA  ))
      2.700     0.900     0.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.26593E-02 ppm1      3.894 ppm2      1.476 CV     1
 ASSI {  852}
   (( segid "PAH " and resid 332  and name HB2 ))
   (( segid "PAH " and resid 332  and name HA  ))
      3.000     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.21168E-02 ppm1      3.845 ppm2      1.175 CV     1
 ASSI {  855}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 373  and name HA  ))
      2.500     0.800     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.41062E-02 ppm1      4.418 ppm2      0.820 CV     1
 ASSI {  856}
   (  segid "PAH " and resid 373  and name HD1%)
   (( segid "PAH " and resid 373  and name HA  ))
      2.900     1.000     1.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.21703E-02 ppm1      4.414 ppm2      0.955 CV     1
 ASSI {  858}
   (  segid "PAH " and resid 308  and name HG2%)
   (( segid "PAH " and resid 309  and name HA  ))
      3.200     1.300     1.300 peak   858 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      4.433 ppm2      0.909 CV     1
 ASSI {  859}
   (  segid "PAH " and resid 362  and name HG2%)
   (( segid "PAH " and resid 373  and name HA  ))
      3.700     1.700     1.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.66985E-03 ppm1      4.413 ppm2     -0.309 CV     1
 ASSI {  860}
   (( segid "PAH " and resid 332  and name HG  ))
   (( segid "PAH " and resid 332  and name HA  ))
      3.200     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.97797E-03 ppm1      3.853 ppm2      1.412 CV     1
 ASSI {  864}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 329  and name HA  ))
      3.100     1.200     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.15608E-02 ppm1      3.445 ppm2      1.378 CV     1
 ASSI {  866}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 329  and name HA  ))
      2.300     0.600     0.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.75690E-02 ppm1      3.442 ppm2      0.620 CV     1
 ASSI {  868}
   (  segid "PAH " and resid 332  and name HD2%)
   (( segid "PAH " and resid 329  and name HA  ))
      3.400     1.400     1.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.52851E-03 ppm1      3.451 ppm2      0.405 CV     1
 ASSI {  869}
   (( segid "PAH " and resid 295  and name HB2 ))
   (( segid "PAH " and resid 295  and name HA  ))
      2.200     0.600     0.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.95789E-02 ppm1      4.195 ppm2      4.020 CV     1
 ASSI {  877}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 372  and name HG  ))
      2.000     0.500     0.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.14067E-01 ppm1      1.573 ppm2      0.231 CV     1
 ASSI {  880}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 365  and name HG  ))
      2.600     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.28268E-02 ppm1      1.636 ppm2      0.777 CV     1
 OR {  880}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 365  and name HG  ))
 ASSI {  881}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 380  and name HG  ))
      2.800     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.20498E-02 ppm1      1.373 ppm2      0.797 CV     1
 OR {  881}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 380  and name HG  ))
 ASSI {  882}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 329  and name HG  ))
      2.100     0.600     0.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.95789E-02 ppm1      1.352 ppm2      0.638 CV     1
 OR {  882}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 329  and name HG  ))
 ASSI {  884}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 372  and name HG  ))
      3.200     1.300     1.300 peak   884 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      1.568 ppm2      0.980 CV     1
 ASSI {  888}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 372  and name HD2%)
      2.700     0.900     0.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      0.212 ppm2      0.996 CV     1
 ASSI {  889}
   (( segid "PAH " and resid 314  and name HG11))
   (  segid "PAH " and resid 372  and name HD2%)
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.13531E-02 ppm1      0.211 ppm2      1.163 CV     1
 ASSI {  895}
   (( segid "PAH " and resid 372  and name HA  ))
   (  segid "PAH " and resid 372  and name HD2%)
      3.700     1.700     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.82390E-03 ppm1      0.215 ppm2      4.389 CV     1
 ASSI {  896}
   (( segid "PAH " and resid 369  and name HB2 ))
   (  segid "PAH " and resid 372  and name HD2%)
      3.000     1.100     1.100 peak   896 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      0.212 ppm2      1.808 CV     1
 ASSI {  899}
   (( segid "PAH " and resid 380  and name HA  ))
   (  segid "PAH " and resid 380  and name HD1%)
      3.400     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10115E-02 ppm1      0.791 ppm2      4.628 CV     1
 ASSI {  900}
   (( segid "PAH " and resid 334  and name HB  ))
   (  segid "PAH " and resid 353  and name HD2%)
      3.100     1.200     1.200 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      0.920 ppm2      4.403 CV     1
 OR {  900}
   (( segid "PAH " and resid 334  and name HB  ))
   (  segid "PAH " and resid 353  and name HD1%)
 ASSI {  901}
   (( segid "PAH " and resid 335  and name HA  ))
   (  segid "PAH " and resid 353  and name HD1%)
      3.100     1.200     1.200 peak   901 spectrum    1 weight  0.10000E+01 volume  0.15273E-02 ppm1      0.919 ppm2      4.091 CV     1
 OR {  901}
   (( segid "PAH " and resid 335  and name HA  ))
   (  segid "PAH " and resid 353  and name HD2%)
 ASSI {  902}
   (( segid "PAH " and resid 377  and name HA2 ))
   (  segid "PAH " and resid 380  and name HD1%)
      3.500     1.600     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.52584E-03 ppm1      0.795 ppm2      3.753 CV     1
 ASSI {  903}
   (( segid "PAH " and resid 359  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD1%)
      3.500     1.600     1.600 peak   903 spectrum    1 weight  0.10000E+01 volume  0.47158E-03 ppm1      0.790 ppm2      3.059 CV     1
 ASSI {  904}
   (( segid "PAH " and resid 335  and name HB2 ))
   (  segid "PAH " and resid 353  and name HD1%)
      3.500     1.500     1.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.60890E-03 ppm1      0.919 ppm2      3.009 CV     1
 OR {  904}
   (( segid "PAH " and resid 335  and name HB2 ))
   (  segid "PAH " and resid 353  and name HD2%)
 ASSI {  906}
   (( segid "PAH " and resid 332  and name HA  ))
   (  segid "PAH " and resid 332  and name HD2%)
      3.000     1.100     1.100 peak   906 spectrum    1 weight  0.10000E+01 volume  0.15473E-02 ppm1      0.384 ppm2      3.859 CV     1
 ASSI {  910}
   (( segid "PAH " and resid 332  and name HB1 ))
   (  segid "PAH " and resid 332  and name HD2%)
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.21837E-02 ppm1      0.384 ppm2      1.731 CV     1
 ASSI {  911}
   (( segid "PAH " and resid 332  and name HG  ))
   (  segid "PAH " and resid 332  and name HD2%)
      2.100     0.500     0.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.11790E-01 ppm1      0.384 ppm2      1.405 CV     1
 ASSI {  912}
   (( segid "PAH " and resid 329  and name HB1 ))
   (  segid "PAH " and resid 329  and name HD1%)
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.26928E-02 ppm1      0.629 ppm2      1.778 CV     1
 ASSI {  913}
   (  segid "SID " and resid 16   and name HB% )
   (  segid "PAH " and resid 329  and name HD1%)
      2.800     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.25655E-02 ppm1      0.631 ppm2      1.652 CV     1
 ASSI {  914}
   (( segid "PAH " and resid 329  and name HG  ))
   (  segid "PAH " and resid 329  and name HD1%)
      2.300     0.700     0.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.66985E-02 ppm1      0.630 ppm2      1.360 CV     1
 ASSI {  915}
   (( segid "PAH " and resid 365  and name HG  ))
   (  segid "PAH " and resid 365  and name HD1%)
      2.900     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.17081E-02 ppm1      0.791 ppm2      1.657 CV     1
 ASSI {  916}
   (( segid "PAH " and resid 380  and name HB1 ))
   (  segid "PAH " and resid 380  and name HD1%)
      2.900     1.000     1.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.25588E-02 ppm1      0.787 ppm2      1.526 CV     1
 ASSI {  917}
   (( segid "PAH " and resid 380  and name HG  ))
   (  segid "PAH " and resid 380  and name HD1%)
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.47627E-02 ppm1      0.790 ppm2      1.364 CV     1
 OR {  917}
   (( segid "PAH " and resid 380  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD1%)
 ASSI {  919}
   (  segid "PAH " and resid 334  and name HG2%)
   (  segid "PAH " and resid 353  and name HD2%)
      2.600     0.800     0.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.39053E-02 ppm1      0.923 ppm2      1.311 CV     1
 OR {  919}
   (  segid "PAH " and resid 334  and name HG2%)
   (  segid "PAH " and resid 353  and name HD1%)
 ASSI {  920}
   (( segid "PAH " and resid 353  and name HG  ))
   (  segid "PAH " and resid 353  and name HD2%)
      2.900     1.100     1.100 peak   920 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      0.946 ppm2      1.696 CV     1
 OR {  920}
   (( segid "PAH " and resid 353  and name HG  ))
   (  segid "PAH " and resid 353  and name HD1%)
 OR {  920}
   (( segid "PAH " and resid 353  and name HB1 ))
   (  segid "PAH " and resid 353  and name HD2%)
 ASSI {  921}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HG2 ))
      2.600     0.900     0.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.30814E-02 ppm1      1.181 ppm2      1.958 CV     1
 OR {  921}
   (( segid "PAH " and resid 313  and name HB2 ))
   (( segid "PAH " and resid 313  and name HG2 ))
 ASSI {  922}
   (( segid "PAH " and resid 313  and name HD2 ))
   (( segid "PAH " and resid 313  and name HG2 ))
      2.200     0.600     0.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.85074E-02 ppm1      1.181 ppm2      1.687 CV     1
 OR {  922}
   (( segid "PAH " and resid 313  and name HD1 ))
   (( segid "PAH " and resid 313  and name HG2 ))
 ASSI {  923}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HG2 ))
      1.800     0.400     0.400 peak   923 spectrum    1 weight  0.10000E+01 volume  0.17416E-01 ppm1      1.181 ppm2      1.601 CV     1
 ASSI {  924}
   (( segid "PAH " and resid 326  and name HB1 ))
   (( segid "PAH " and resid 326  and name HG2 ))
      2.200     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.92443E-02 ppm1      1.447 ppm2      1.897 CV     1
 OR {  924}
   (( segid "PAH " and resid 326  and name HB2 ))
   (( segid "PAH " and resid 326  and name HG2 ))
 ASSI {  926}
   (( segid "PAH " and resid 326  and name HG1 ))
   (( segid "PAH " and resid 326  and name HG2 ))
      1.700     0.300     0.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.28469E-01 ppm1      1.447 ppm2      1.651 CV     1
 ASSI {  931}
   (( segid "PAH " and resid 329  and name HB2 ))
   (  segid "PAH " and resid 329  and name HD1%)
      2.600     0.900     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.30947E-02 ppm1      0.631 ppm2      1.121 CV     1
 ASSI {  935}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "PAH " and resid 332  and name HD2%)
      3.600     1.600     1.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.42268E-03 ppm1      0.384 ppm2      1.009 CV     1
 ASSI {  944}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 365  and name HA  ))
      2.300     0.700     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.74352E-02 ppm1      4.029 ppm2      0.794 CV     1
 ASSI {  945}
   (( segid "PAH " and resid 365  and name HB2 ))
   (( segid "PAH " and resid 365  and name HA  ))
      2.700     0.900     0.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.40191E-02 ppm1      4.029 ppm2      1.311 CV     1
 ASSI {  946}
   (( segid "PAH " and resid 365  and name HB1 ))
   (( segid "PAH " and resid 365  and name HA  ))
      2.600     0.900     0.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.28536E-02 ppm1      4.029 ppm2      1.531 CV     1
 ASSI {  948}
   (( segid "PAH " and resid 365  and name HG  ))
   (( segid "PAH " and resid 365  and name HA  ))
      2.800     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.26459E-02 ppm1      4.023 ppm2      1.661 CV     1
 ASSI {  949}
   (( segid "PAH " and resid 378  and name HB1 ))
   (( segid "PAH " and resid 378  and name HA  ))
      2.300     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.77705E-02 ppm1      3.985 ppm2      1.730 CV     1
 OR {  949}
   (( segid "PAH " and resid 378  and name HB2 ))
   (( segid "PAH " and resid 378  and name HA  ))
 ASSI {  952}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 318  and name HA  ))
      3.100     1.200     1.200 peak   952 spectrum    1 weight  0.10000E+01 volume  0.16479E-02 ppm1      4.896 ppm2      2.472 CV     1
 ASSI {  953}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 318  and name HA  ))
      2.600     0.800     0.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.29674E-02 ppm1      4.895 ppm2      3.890 CV     1
 ASSI {  955}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 372  and name HA  ))
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      4.370 ppm2      0.547 CV     1
 ASSI {  959}
   (( segid "PAH " and resid 323  and name HB2 ))
   (( segid "PAH " and resid 323  and name HA  ))
      2.400     0.700     0.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.54258E-02 ppm1      4.406 ppm2      2.621 CV     1
 ASSI {  961}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 373  and name HD1%)
      3.500     1.500     1.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.97797E-03 ppm1      0.939 ppm2     -0.313 CV     1
 ASSI {  967}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HG1 ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.51579E-02 ppm1      0.699 ppm2      1.356 CV     1
 OR {  967}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HG2 ))
 ASSI {  968}
   (( segid "PAH " and resid 315  and name HD1 ))
   (( segid "PAH " and resid 315  and name HG1 ))
      2.200     0.600     0.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.90428E-02 ppm1      0.699 ppm2      1.449 CV     1
 OR {  968}
   (( segid "PAH " and resid 315  and name HD2 ))
   (( segid "PAH " and resid 315  and name HG2 ))
 OR {  968}
   (( segid "PAH " and resid 315  and name HD1 ))
   (( segid "PAH " and resid 315  and name HG2 ))
 OR {  968}
   (( segid "PAH " and resid 315  and name HD2 ))
   (( segid "PAH " and resid 315  and name HG1 ))
 ASSI {  969}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HG2 ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.28670E-02 ppm1      0.699 ppm2      1.625 CV     1
 OR {  969}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HG1 ))
 ASSI {  974}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HG1 ))
      2.700     0.900     0.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.52851E-02 ppm1      1.583 ppm2      2.017 CV     1
 ASSI {  975}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HG2 ))
      2.300     0.700     0.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.54057E-02 ppm1      1.433 ppm2      2.010 CV     1
 ASSI {  976}
   (( segid "PAH " and resid 373  and name HB1 ))
   (  segid "PAH " and resid 373  and name HD1%)
      2.400     0.700     0.700 peak   976 spectrum    1 weight  0.10000E+01 volume  0.68325E-02 ppm1      0.942 ppm2      2.157 CV     1
 ASSI {  979}
   (( segid "PAH " and resid 328  and name HB2 ))
   (  segid "PAH " and resid 365  and name HD1%)
      2.900     1.000     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      0.793 ppm2      2.991 CV     1
 ASSI {  980}
   (( segid "PAH " and resid 363  and name HA  ))
   (  segid "PAH " and resid 373  and name HD1%)
      2.600     0.800     0.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.37177E-02 ppm1      0.937 ppm2      3.797 CV     1
 ASSI {  982}
   (( segid "PAH " and resid 296  and name HA  ))
   (  segid "PAH " and resid 296  and name HD1%)
      3.300     1.300     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.11521E-02 ppm1      0.934 ppm2      4.328 CV     1
 ASSI {  984}
   (( segid "PAH " and resid 328  and name HA  ))
   (  segid "PAH " and resid 365  and name HD1%)
      3.300     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.97128E-03 ppm1      0.797 ppm2      3.903 CV     1
 ASSI {  985}
   (( segid "PAH " and resid 365  and name HA  ))
   (  segid "PAH " and resid 365  and name HD1%)
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.11923E-02 ppm1      0.795 ppm2      4.042 CV     1
 ASSI {  989}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HG2 ))
      3.200     1.300     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.11723E-02 ppm1      1.469 ppm2      4.139 CV     1
 ASSI {  991}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 326  and name HG1 ))
      3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.46756E-03 ppm1      1.634 ppm2      3.763 CV     1
 ASSI {  993}
   (( segid "PAH " and resid 353  and name HA  ))
   (  segid "PAH " and resid 353  and name HD1%)
      2.600     0.900     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.35703E-02 ppm1      0.940 ppm2      4.719 CV     1
 ASSI {  997}
   (( segid "PAH " and resid 313  and name HE1 ))
   (( segid "PAH " and resid 313  and name HG2 ))
      3.100     1.200     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.13464E-02 ppm1      1.184 ppm2      2.885 CV     1
 OR {  997}
   (( segid "PAH " and resid 313  and name HE2 ))
   (( segid "PAH " and resid 313  and name HG2 ))
 ASSI { 1000}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 365  and name HD1%)
      3.300     1.400     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      0.790 ppm2      0.525 CV     1
 ASSI { 1003}
   (( segid "PAH " and resid 317  and name HB2 ))
   (( segid "PAH " and resid 317  and name HA  ))
      3.000     1.100     1.100 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.14201E-02 ppm1      3.830 ppm2      1.188 CV     1
 ASSI { 1004}
   (( segid "PAH " and resid 317  and name HB1 ))
   (( segid "PAH " and resid 317  and name HA  ))
      2.800     1.000     1.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.21904E-02 ppm1      3.834 ppm2      1.662 CV     1
 ASSI { 1005}
   (  segid "SID " and resid 12   and name HD2%)
   (( segid "PAH " and resid 307  and name HA  ))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.14067E-02 ppm1      4.153 ppm2      0.382 CV     1
 ASSI { 1007}
   (  segid "PAH " and resid 296  and name HD1%)
   (( segid "PAH " and resid 296  and name HA  ))
      2.600     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.40861E-02 ppm1      4.332 ppm2      0.926 CV     1
 OR { 1007}
   (  segid "PAH " and resid 296  and name HD2%)
   (( segid "PAH " and resid 296  and name HA  ))
 ASSI { 1010}
   (( segid "PAH " and resid 297  and name HB2 ))
   (( segid "PAH " and resid 297  and name HA  ))
      2.800     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.25321E-02 ppm1      3.962 ppm2      1.657 CV     1
 ASSI { 1012}
   (( segid "PAH " and resid 297  and name HG1 ))
   (( segid "PAH " and resid 297  and name HA  ))
      3.000     1.100     1.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      3.969 ppm2      2.168 CV     1
 OR { 1012}
   (( segid "PAH " and resid 297  and name HG2 ))
   (( segid "PAH " and resid 297  and name HA  ))
 ASSI { 1014}
   (( segid "PAH " and resid 305  and name HB2 ))
   (( segid "PAH " and resid 305  and name HA  ))
      2.400     0.700     0.700 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.60421E-02 ppm1      4.340 ppm2      2.811 CV     1
 ASSI { 1015}
   (( segid "PAH " and resid 305  and name HB1 ))
   (( segid "PAH " and resid 305  and name HA  ))
      2.500     0.800     0.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.50373E-02 ppm1      4.342 ppm2      2.918 CV     1
 ASSI { 1016}
   (( segid "PAH " and resid 309  and name HB1 ))
   (( segid "PAH " and resid 309  and name HA  ))
      2.800     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      4.436 ppm2      3.038 CV     1
 ASSI { 1017}
   (( segid "PAH " and resid 317  and name HD2 ))
   (( segid "PAH " and resid 317  and name HA  ))
      2.600     0.800     0.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.33894E-02 ppm1      3.835 ppm2      3.020 CV     1
 ASSI { 1019}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 371  and name HA  ))
      2.800     1.000     1.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.23646E-02 ppm1      4.413 ppm2      4.098 CV     1
 OR { 1019}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 371  and name HA  ))
 ASSI { 1020}
   (( segid "PAH " and resid 380  and name HA  ))
   (  segid "PAH " and resid 380  and name HD2%)
      2.700     0.900     0.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.30679E-02 ppm1      0.744 ppm2      4.632 CV     1
 ASSI { 1022}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "PAH " and resid 311  and name HG1%)
      3.100     1.200     1.200 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.11187E-02 ppm1      1.216 ppm2      4.165 CV     1
 ASSI { 1024}
   (( segid "PAH " and resid 308  and name HA  ))
   (  segid "PAH " and resid 311  and name HG1%)
      3.400     1.400     1.400 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      1.217 ppm2      3.490 CV     1
 ASSI { 1025}
   (( segid "PAH " and resid 311  and name HA  ))
   (  segid "PAH " and resid 311  and name HG1%)
      2.400     0.700     0.700 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.48431E-02 ppm1      1.219 ppm2      3.408 CV     1
 ASSI { 1029}
   (( segid "PAH " and resid 317  and name HD1 ))
   (( segid "PAH " and resid 317  and name HG1 ))
      3.100     1.200     1.200 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      0.974 ppm2      3.126 CV     1
 ASSI { 1033}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 367  and name HG2 ))
      2.300     0.600     0.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.78374E-02 ppm1      1.494 ppm2      1.902 CV     1
 OR { 1033}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 367  and name HG1 ))
 ASSI { 1035}
   (  segid "SID " and resid 16   and name HB% )
   (  segid "PAH " and resid 311  and name HG1%)
      2.900     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      1.222 ppm2      1.660 CV     1
 ASSI { 1037}
   (( segid "PAH " and resid 296  and name HG  ))
   (  segid "PAH " and resid 296  and name HD1%)
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.42067E-02 ppm1      0.942 ppm2      1.699 CV     1
 OR { 1037}
   (( segid "PAH " and resid 296  and name HB1 ))
   (  segid "PAH " and resid 296  and name HD1%)
 ASSI { 1038}
   (( segid "PAH " and resid 355  and name HG1 ))
   (  segid "PAH " and resid 380  and name HD2%)
      4.000     2.000     2.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.51378E-03 ppm1      0.752 ppm2      2.479 CV     1
 ASSI { 1039}
   (( segid "PAH " and resid 355  and name HG2 ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.800     1.800     1.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.31885E-03 ppm1      0.752 ppm2      2.410 CV     1
 ASSI { 1040}
   (( segid "PAH " and resid 355  and name HB1 ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.700     1.700     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.40526E-03 ppm1      0.748 ppm2      2.185 CV     1
 ASSI { 1042}
   (( segid "SID " and resid 9    and name HG11))
   (  segid "PAH " and resid 380  and name HD2%)
      3.000     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      0.748 ppm2      1.649 CV     1
 ASSI { 1043}
   (( segid "PAH " and resid 380  and name HB1 ))
   (  segid "PAH " and resid 380  and name HD2%)
      2.400     0.700     0.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.47292E-02 ppm1      0.751 ppm2      1.536 CV     1
 ASSI { 1044}
   (( segid "PAH " and resid 380  and name HG  ))
   (  segid "PAH " and resid 380  and name HD2%)
      2.300     0.700     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.71675E-02 ppm1      0.748 ppm2      1.358 CV     1
 OR { 1044}
   (( segid "PAH " and resid 380  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1045}
   (( segid "PAH " and resid 317  and name HB2 ))
   (( segid "PAH " and resid 317  and name HG2 ))
      3.000     1.100     1.100 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.13129E-02 ppm1      0.517 ppm2      1.185 CV     1
 ASSI { 1046}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HG2 ))
      2.000     0.500     0.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.92443E-02 ppm1      0.522 ppm2      0.978 CV     1
 ASSI { 1048}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 311  and name HG1%)
      2.800     2.800     3.200 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.37914E-02 ppm1      1.214 ppm2      0.383 CV     1
 ASSI { 1050}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 317  and name HG1 ))
      3.000     1.100     1.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.94451E-03 ppm1      0.959 ppm2      0.232 CV     1
 ASSI { 1051}
   (( segid "PAH " and resid 296  and name HA  ))
   (  segid "PAH " and resid 296  and name HD2%)
      2.700     0.900     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      0.906 ppm2      4.343 CV     1
 ASSI { 1054}
   (( segid "PAH " and resid 363  and name HA  ))
   (  segid "PAH " and resid 373  and name HD2%)
      2.500     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.38785E-02 ppm1      0.809 ppm2      3.796 CV     1
 ASSI { 1056}
   (( segid "PAH " and resid 358  and name HA  ))
   (  segid "PAH " and resid 358  and name HG1%)
      2.600     0.800     0.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.35234E-02 ppm1      0.826 ppm2      3.441 CV     1
 ASSI { 1059}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
      3.800     1.800     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.35837E-03 ppm1      1.142 ppm2      3.963 CV     1
 ASSI { 1060}
   (( segid "PAH " and resid 308  and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
      3.800     1.800     1.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.40326E-03 ppm1      1.149 ppm2      3.487 CV     1
 ASSI { 1062}
   (( segid "PAH " and resid 335  and name HB2 ))
   (  segid "PAH " and resid 358  and name HG1%)
      2.900     1.000     1.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.24248E-02 ppm1      0.824 ppm2      3.000 CV     1
 ASSI { 1066}
   (  segid "SID " and resid 16   and name HB% )
   (  segid "PAH " and resid 311  and name HG2%)
      2.600     0.800     0.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.36172E-02 ppm1      1.152 ppm2      1.657 CV     1
 ASSI { 1067}
   (( segid "PAH " and resid 373  and name HB2 ))
   (  segid "PAH " and resid 373  and name HD2%)
      2.500     0.800     0.800 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.51043E-02 ppm1      0.805 ppm2      1.738 CV     1
 ASSI { 1069}
   (( segid "PAH " and resid 365  and name HG  ))
   (  segid "PAH " and resid 365  and name HD2%)
      2.300     0.700     0.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.66583E-02 ppm1      0.768 ppm2      1.653 CV     1
 ASSI { 1072}
   (  segid "PAH " and resid 363  and name HB% )
   (  segid "PAH " and resid 373  and name HD2%)
      2.500     0.800     0.800 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.56603E-02 ppm1      0.806 ppm2      1.254 CV     1
 ASSI { 1073}
   (  segid "PAH " and resid 310  and name HD% )
   (  segid "PAH " and resid 311  and name HG2%)
      2.500     0.800     0.800 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.41531E-02 ppm1      1.151 ppm2      0.979 CV     1
 ASSI { 1076}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 311  and name HG2%)
      3.300     1.400     1.400 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.85743E-03 ppm1      1.146 ppm2      0.383 CV     1
 ASSI { 1077}
   (( segid "PAH " and resid 310  and name HB2 ))
   (( segid "PAH " and resid 307  and name HA  ))
      3.200     1.300     1.300 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      4.153 ppm2      2.939 CV     1
 ASSI { 1079}
   (( segid "PAH " and resid 312  and name HB1 ))
   (( segid "PAH " and resid 312  and name HA  ))
      2.700     0.900     0.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.42201E-02 ppm1      4.357 ppm2      2.876 CV     1
 ASSI { 1083}
   (( segid "PAH " and resid 296  and name HB1 ))
   (( segid "PAH " and resid 296  and name HA  ))
      2.900     1.000     1.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.18354E-02 ppm1      4.333 ppm2      1.700 CV     1
 OR { 1083}
   (( segid "PAH " and resid 296  and name HG  ))
   (( segid "PAH " and resid 296  and name HA  ))
 ASSI { 1084}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 312  and name HA  ))
      2.500     0.800     0.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.32756E-02 ppm1      4.359 ppm2      1.625 CV     1
 ASSI { 1087}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HA  ))
      3.600     1.700     1.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.61024E-03 ppm1      3.834 ppm2      0.982 CV     1
 ASSI { 1088}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 317  and name HA  ))
      3.400     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.93781E-03 ppm1      3.830 ppm2      0.531 CV     1
 ASSI { 1091}
   (  segid "PAH " and resid 363  and name HB% )
   (( segid "PAH " and resid 363  and name HA  ))
      2.200     0.600     0.600 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.89089E-02 ppm1      3.788 ppm2      1.253 CV     1
 ASSI { 1098}
   (( segid "PAH " and resid 296  and name HG  ))
   (  segid "PAH " and resid 296  and name HD2%)
      3.100     1.200     1.200 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      0.905 ppm2      1.685 CV     1
 OR { 1098}
   (( segid "PAH " and resid 296  and name HB1 ))
   (  segid "PAH " and resid 296  and name HD2%)
 ASSI { 1099}
   (( segid "PAH " and resid 296  and name HB2 ))
   (  segid "PAH " and resid 296  and name HD2%)
      3.200     1.300     1.300 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      0.908 ppm2      1.578 CV     1
 ASSI { 1104}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 358  and name HG1%)
      2.800     1.000     1.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.20296E-02 ppm1      0.809 ppm2     -0.315 CV     1
 ASSI { 1105}
   (  segid "PAH " and resid 362  and name HG2%)
   (  segid "PAH " and resid 362  and name HG1%)
      2.200     0.600     0.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.85743E-02 ppm1      0.498 ppm2     -0.316 CV     1
 ASSI { 1106}
   (  segid "PAH " and resid 314  and name HD1%)
   (  segid "PAH " and resid 311  and name HG2%)
      3.300     1.400     1.400 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.56803E-03 ppm1      1.145 ppm2      0.078 CV     1
 ASSI { 1110}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 327  and name HA  ))
      2.100     0.500     0.500 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.13397E-01 ppm1      4.114 ppm2      1.547 CV     1
 ASSI { 1111}
   (( segid "PAH " and resid 330  and name HB2 ))
   (( segid "PAH " and resid 327  and name HA  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.29541E-02 ppm1      4.107 ppm2      2.108 CV     1
 OR { 1111}
   (( segid "PAH " and resid 330  and name HB1 ))
   (( segid "PAH " and resid 327  and name HA  ))
 ASSI { 1112}
   (( segid "PAH " and resid 349  and name HB2 ))
   (( segid "PAH " and resid 342  and name HA  ))
      3.200     1.300     1.300 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      3.939 ppm2      2.793 CV     1
 ASSI { 1114}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 341  and name HA  ))
      2.500     0.800     0.800 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.50306E-02 ppm1      4.320 ppm2      2.400 CV     1
 ASSI { 1116}
   (( segid "PAH " and resid 344  and name HB2 ))
   (( segid "PAH " and resid 341  and name HA  ))
      3.000     1.100     1.100 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.18354E-02 ppm1      4.319 ppm2      1.979 CV     1
 ASSI { 1117}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 353  and name HA  ))
      2.600     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.40258E-02 ppm1      4.706 ppm2      0.948 CV     1
 OR { 1117}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 353  and name HA  ))
 ASSI { 1119}
   (( segid "PAH " and resid 353  and name HB1 ))
   (( segid "PAH " and resid 353  and name HA  ))
      2.800     1.000     1.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1      4.702 ppm2      1.686 CV     1
 OR { 1119}
   (( segid "PAH " and resid 353  and name HG  ))
   (( segid "PAH " and resid 353  and name HA  ))
 ASSI { 1120}
   (( segid "PAH " and resid 368  and name HB2 ))
   (( segid "PAH " and resid 368  and name HA  ))
      2.600     0.800     0.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.43139E-02 ppm1      4.741 ppm2      3.114 CV     1
 OR { 1120}
   (( segid "PAH " and resid 368  and name HB1 ))
   (( segid "PAH " and resid 368  and name HA  ))
 ASSI { 1121}
   (( segid "PAH " and resid 349  and name HB1 ))
   (( segid "PAH " and resid 342  and name HA  ))
      3.600     1.600     1.600 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.41464E-03 ppm1      3.941 ppm2      2.964 CV     1
 ASSI { 1122}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 300  and name HA  ))
      2.300     0.700     0.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.59215E-02 ppm1      4.710 ppm2      3.701 CV     1
 ASSI { 1123}
   (( segid "PAH " and resid 301  and name HD2 ))
   (( segid "PAH " and resid 300  and name HA  ))
      2.400     0.700     0.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.54124E-02 ppm1      4.709 ppm2      3.634 CV     1
 ASSI { 1127}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 300  and name HA  ))
      2.800     0.900     0.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      4.709 ppm2      2.230 CV     1
 ASSI { 1129}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 321  and name HA  ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1      4.950 ppm2      2.386 CV     1
 OR { 1129}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 321  and name HA  ))
 ASSI { 1131}
   (( segid "PAH " and resid 322  and name HD1 ))
   (( segid "PAH " and resid 321  and name HA  ))
      2.600     0.800     0.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.52918E-02 ppm1      4.952 ppm2      3.777 CV     1
 ASSI { 1134}
   (( segid "PAH " and resid 354  and name HB  ))
   (  segid "PAH " and resid 354  and name HG2%)
      2.000     0.500     0.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.16679E-01 ppm1      1.353 ppm2      4.774 CV     1
 OR { 1134}
   (( segid "PAH " and resid 354  and name HA  ))
   (  segid "PAH " and resid 354  and name HG2%)
 ASSI { 1135}
   (( segid "PAH " and resid 334  and name HB  ))
   (  segid "PAH " and resid 334  and name HG2%)
      2.300     0.600     0.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.81051E-02 ppm1      1.290 ppm2      4.405 CV     1
 ASSI { 1138}
   (( segid "PAH " and resid 338  and name HG1 ))
   (  segid "PAH " and resid 334  and name HG2%)
      3.400     1.500     1.500 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.82390E-03 ppm1      1.287 ppm2      2.514 CV     1
 ASSI { 1140}
   (( segid "PAH " and resid 314  and name HA  ))
   (  segid "PAH " and resid 372  and name HD1%)
      3.300     1.400     1.400 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      0.528 ppm2      3.154 CV     1
 ASSI { 1145}
   (( segid "PAH " and resid 372  and name HG  ))
   (  segid "PAH " and resid 372  and name HD1%)
      2.200     0.600     0.600 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.80382E-02 ppm1      0.535 ppm2      1.600 CV     1
 ASSI { 1149}
   (  segid "PAH " and resid 372  and name HD2%)
   (  segid "PAH " and resid 372  and name HD1%)
      2.300     0.600     0.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.76367E-02 ppm1      0.533 ppm2      0.230 CV     1
 ASSI { 1150}
   (  segid "PAH " and resid 314  and name HD1%)
   (  segid "PAH " and resid 372  and name HD1%)
      3.900     1.900     1.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.71005E-03 ppm1      0.533 ppm2      0.077 CV     1
 ASSI { 1151}
   (( segid "PAH " and resid 353  and name HG  ))
   (  segid "PAH " and resid 334  and name HG2%)
      3.100     1.200     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.12258E-02 ppm1      1.288 ppm2      1.698 CV     1
 OR { 1151}
   (( segid "PAH " and resid 353  and name HB1 ))
   (  segid "PAH " and resid 334  and name HG2%)
 ASSI { 1152}
   (( segid "PAH " and resid 353  and name HB2 ))
   (  segid "PAH " and resid 334  and name HG2%)
      2.900     1.100     1.100 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.17282E-02 ppm1      1.293 ppm2      1.582 CV     1
 ASSI { 1156}
   (( segid "PAH " and resid 299  and name HB1 ))
   (( segid "PAH " and resid 299  and name HA  ))
      2.800     1.000     1.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.25722E-02 ppm1      4.708 ppm2      2.863 CV     1
 ASSI { 1158}
   (( segid "PAH " and resid 298  and name HB1 ))
   (( segid "PAH " and resid 298  and name HA  ))
      2.600     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.39589E-02 ppm1      4.633 ppm2      2.809 CV     1
 ASSI { 1159}
   (( segid "PAH " and resid 298  and name HB1 ))
   (( segid "PAH " and resid 298  and name HA  ))
      2.600     0.900     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.35703E-02 ppm1      4.633 ppm2      2.752 CV     1
 OR { 1159}
   (( segid "PAH " and resid 298  and name HB2 ))
   (( segid "PAH " and resid 298  and name HA  ))
 ASSI { 1162}
   (( segid "PAH " and resid 329  and name HB1 ))
   (  segid "PAH " and resid 329  and name HD2%)
      3.400     1.400     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.62096E-03 ppm1      0.606 ppm2      1.791 CV     1
 ASSI { 1163}
   (  segid "SID " and resid 16   and name HB% )
   (  segid "PAH " and resid 329  and name HD2%)
      2.400     0.700     0.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.56937E-02 ppm1      0.604 ppm2      1.656 CV     1
 ASSI { 1164}
   (( segid "PAH " and resid 329  and name HG  ))
   (  segid "PAH " and resid 329  and name HD2%)
      2.400     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.50842E-02 ppm1      0.604 ppm2      1.361 CV     1
 ASSI { 1165}
   (( segid "PAH " and resid 329  and name HB2 ))
   (  segid "PAH " and resid 329  and name HD2%)
      3.000     1.100     1.100 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.34497E-02 ppm1      0.606 ppm2      1.128 CV     1
 ASSI { 1167}
   (( segid "PAH " and resid 348  and name HB1 ))
   (( segid "PAH " and resid 348  and name HA  ))
      2.700     0.900     0.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.30411E-02 ppm1      4.776 ppm2      2.896 CV     1
 ASSI { 1171}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 345  and name HA  ))
      2.200     0.600     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.94451E-02 ppm1      4.341 ppm2      1.453 CV     1
 ASSI { 1173}
   (( segid "PAH " and resid 350  and name HA  ))
   (  segid "PAH " and resid 350  and name HG2%)
      2.800     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.39119E-02 ppm1      1.123 ppm2      4.560 CV     1
 ASSI { 1175}
   (( segid "PAH " and resid 351  and name HD1 ))
   (  segid "PAH " and resid 350  and name HG2%)
      2.600     2.600     3.400 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.26258E-02 ppm1      1.125 ppm2      3.749 CV     1
 OR { 1175}
   (( segid "PAH " and resid 351  and name HD2 ))
   (  segid "PAH " and resid 350  and name HG2%)
 ASSI { 1178}
   (( segid "PAH " and resid 355  and name HA  ))
   (  segid "PAH " and resid 358  and name HG2%)
      4.100     2.100     1.900 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.28938E-03 ppm1      0.749 ppm2      3.732 CV     1
 ASSI { 1190}
   (( segid "PAH " and resid 332  and name HG  ))
   (  segid "PAH " and resid 332  and name HD1%)
      2.300     0.700     0.700 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.61292E-02 ppm1      0.556 ppm2      1.403 CV     1
 ASSI { 1197}
   (  segid "PAH " and resid 332  and name HD2%)
   (  segid "PAH " and resid 332  and name HD1%)
      2.100     0.500     0.500 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.14469E-01 ppm1      0.551 ppm2      0.399 CV     1
 ASSI { 1198}
   (( segid "PAH " and resid 332  and name HB1 ))
   (  segid "PAH " and resid 332  and name HD1%)
      3.300     1.400     1.400 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.77705E-03 ppm1      0.551 ppm2      1.729 CV     1
 ASSI { 1200}
   (( segid "PAH " and resid 366  and name HB1 ))
   (( segid "PAH " and resid 366  and name HA  ))
      2.600     0.900     0.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.25254E-02 ppm1      4.922 ppm2      3.743 CV     1
 ASSI { 1203}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 369  and name HA  ))
      2.700     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.24584E-02 ppm1      4.827 ppm2      1.888 CV     1
 ASSI { 1204}
   (( segid "PAH " and resid 369  and name HB2 ))
   (( segid "PAH " and resid 369  and name HA  ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.31952E-02 ppm1      4.827 ppm2      1.818 CV     1
 ASSI { 1205}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 380  and name HA  ))
      2.300     0.600     0.600 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.68995E-02 ppm1      4.616 ppm2      3.669 CV     1
 OR { 1205}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 380  and name HA  ))
 ASSI { 1206}
   (( segid "PAH " and resid 380  and name HB1 ))
   (( segid "PAH " and resid 380  and name HA  ))
      2.600     0.900     0.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.29071E-02 ppm1      4.616 ppm2      1.532 CV     1
 ASSI { 1207}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 380  and name HA  ))
      2.700     0.900     0.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.27866E-02 ppm1      4.618 ppm2      1.360 CV     1
 OR { 1207}
   (( segid "PAH " and resid 380  and name HG  ))
   (( segid "PAH " and resid 380  and name HA  ))
 ASSI { 1208}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 380  and name HA  ))
      2.600     0.800     0.800 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.40057E-02 ppm1      4.617 ppm2      0.769 CV     1
 OR { 1208}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 380  and name HA  ))
 ASSI { 1209}
   (( segid "PAH " and resid 383  and name HA  ))
   (  segid "PAH " and resid 383  and name HB% )
      2.700     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.29541E-02 ppm1      1.283 ppm2      4.067 CV     1
 ASSI { 1210}
   (  segid "PAH " and resid 380  and name HD1%)
   (  segid "PAH " and resid 383  and name HB% )
      3.100     1.200     1.200 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.13598E-02 ppm1      1.288 ppm2      0.793 CV     1
 OR { 1210}
   (  segid "PAH " and resid 380  and name HD2%)
   (  segid "PAH " and resid 383  and name HB% )
 ASSI { 1212}
   (( segid "PAH " and resid 352  and name HA  ))
   (  segid "PAH " and resid 352  and name HB% )
      2.200     0.600     0.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.93112E-02 ppm1      1.388 ppm2      4.254 CV     1
 ASSI { 1214}
   (( segid "PAH " and resid 349  and name HB1 ))
   (  segid "PAH " and resid 345  and name HB% )
      3.200     1.300     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.17216E-02 ppm1      1.438 ppm2      2.974 CV     1
 ASSI { 1217}
   (( segid "PAH " and resid 338  and name HG2 ))
   (  segid "PAH " and resid 352  and name HB% )
      3.500     1.500     1.500 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.79043E-03 ppm1      1.385 ppm2      2.434 CV     1
 ASSI { 1218}
   (( segid "PAH " and resid 338  and name HB2 ))
   (  segid "PAH " and resid 352  and name HB% )
      4.100     2.100     1.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.35301E-03 ppm1      1.383 ppm2      2.247 CV     1
 OR { 1218}
   (( segid "PAH " and resid 338  and name HB1 ))
   (  segid "PAH " and resid 352  and name HB% )
 ASSI { 1220}
   (( segid "PAH " and resid 350  and name HA  ))
   (( segid "PAH " and resid 351  and name HD2 ))
      2.200     0.600     0.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.93781E-02 ppm1      3.730 ppm2      4.562 CV     1
 ASSI { 1223}
   (( segid "PAH " and resid 351  and name HG2 ))
   (( segid "PAH " and resid 351  and name HD1 ))
      2.900     1.100     1.100 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.27330E-02 ppm1      3.773 ppm2      1.989 CV     1
 ASSI { 1224}
   (( segid "PAH " and resid 351  and name HG2 ))
   (( segid "PAH " and resid 351  and name HD2 ))
      2.500     0.800     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.30411E-02 ppm1      3.730 ppm2      1.988 CV     1
 ASSI { 1225}
   (( segid "PAH " and resid 351  and name HB2 ))
   (( segid "PAH " and resid 351  and name HD1 ))
      3.400     1.400     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      3.773 ppm2      1.920 CV     1
 ASSI { 1227}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 351  and name HD1 ))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      3.753 ppm2      1.477 CV     1
 OR { 1227}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 351  and name HD2 ))
 ASSI { 1228}
   (  segid "PAH " and resid 350  and name HG2%)
   (( segid "PAH " and resid 351  and name HD1 ))
      3.200     1.300     1.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.71675E-03 ppm1      3.777 ppm2      1.141 CV     1
 ASSI { 1229}
   (  segid "PAH " and resid 350  and name HG2%)
   (( segid "PAH " and resid 351  and name HD2 ))
      3.000     3.000     3.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      3.727 ppm2      1.139 CV     1
 ASSI { 1231}
   (( segid "PAH " and resid 351  and name HB1 ))
   (( segid "PAH " and resid 351  and name HD2 ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.36239E-03 ppm1      3.724 ppm2      2.339 CV     1
 ASSI { 1232}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 381  and name HD2 ))
      3.200     1.300     1.300 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      3.655 ppm2      0.768 CV     1
 OR { 1232}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 381  and name HD2 ))
 OR { 1232}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 381  and name HD1 ))
 ASSI { 1233}
   (( segid "PAH " and resid 380  and name HB1 ))
   (( segid "PAH " and resid 381  and name HD2 ))
      3.000     1.200     1.200 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.13531E-02 ppm1      3.653 ppm2      1.530 CV     1
 OR { 1233}
   (( segid "PAH " and resid 380  and name HB1 ))
   (( segid "PAH " and resid 381  and name HD1 ))
 ASSI { 1236}
   (( segid "PAH " and resid 322  and name HG1 ))
   (( segid "PAH " and resid 322  and name HD1 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.50373E-02 ppm1      3.768 ppm2      2.152 CV     1
 ASSI { 1237}
   (( segid "PAH " and resid 322  and name HG2 ))
   (( segid "PAH " and resid 322  and name HD1 ))
      2.700     0.900     0.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.60421E-02 ppm1      3.769 ppm2      2.092 CV     1
 ASSI { 1239}
   (( segid "PAH " and resid 322  and name HG2 ))
   (( segid "PAH " and resid 322  and name HD2 ))
      2.400     0.700     0.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.45684E-02 ppm1      3.482 ppm2      2.128 CV     1
 OR { 1239}
   (( segid "PAH " and resid 322  and name HG1 ))
   (( segid "PAH " and resid 322  and name HD2 ))
 ASSI { 1241}
   (( segid "PAH " and resid 322  and name HD1 ))
   (( segid "PAH " and resid 322  and name HD2 ))
      1.800     0.400     0.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.16479E-01 ppm1      3.484 ppm2      3.781 CV     1
 ASSI { 1244}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 322  and name HD2 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.31952E-02 ppm1      3.483 ppm2      4.964 CV     1
 ASSI { 1249}
   (( segid "PAH " and resid 307  and name HA  ))
   (  segid "PAH " and resid 307  and name HB% )
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.98466E-02 ppm1      1.486 ppm2      4.161 CV     1
 ASSI { 1251}
   (( segid "SID " and resid 11   and name HG2 ))
   (  segid "PAH " and resid 307  and name HB% )
      3.400     1.500     1.500 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.68995E-03 ppm1      1.486 ppm2      2.671 CV     1
 ASSI { 1252}
   (  segid "SID " and resid 11   and name HE% )
   (  segid "PAH " and resid 307  and name HB% )
      3.300     1.400     1.400 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.10986E-02 ppm1      1.483 ppm2      2.282 CV     1
 OR { 1252}
   (( segid "SID " and resid 11   and name HB2 ))
   (  segid "PAH " and resid 307  and name HB% )
 ASSI { 1256}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 307  and name HB% )
      2.900     1.000     1.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.18890E-02 ppm1      1.486 ppm2      0.384 CV     1
 ASSI { 1257}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 381  and name HD2 ))
      3.700     1.700     1.700 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      3.654 ppm2      1.358 CV     1
 OR { 1257}
   (( segid "PAH " and resid 380  and name HG  ))
   (( segid "PAH " and resid 381  and name HD2 ))
 OR { 1257}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 381  and name HD1 ))
 ASSI { 1259}
   (( segid "PAH " and resid 301  and name HB1 ))
   (( segid "PAH " and resid 301  and name HD1 ))
      3.300     1.400     1.400 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.97797E-03 ppm1      3.661 ppm2      2.406 CV     1
 ASSI { 1260}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HD1 ))
      3.400     1.400     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.68325E-03 ppm1      3.770 ppm2      2.470 CV     1
 ASSI { 1262}
   (( segid "PAH " and resid 360  and name HA  ))
   (  segid "PAH " and resid 360  and name HB% )
      2.000     0.500     0.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.17282E-01 ppm1      1.562 ppm2      4.056 CV     1
 ASSI { 1263}
   (( segid "PAH " and resid 357  and name HA  ))
   (  segid "PAH " and resid 360  and name HB% )
      2.400     0.700     0.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.56536E-02 ppm1      1.562 ppm2      4.263 CV     1
 ASSI { 1265}
   (( segid "PAH " and resid 351  and name HD1 ))
   (  segid "PAH " and resid 342  and name HB% )
      3.200     1.200     1.200 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.96458E-03 ppm1      1.466 ppm2      3.790 CV     1
 ASSI { 1266}
   (  segid "PAH " and resid 365  and name HD2%)
   (  segid "PAH " and resid 327  and name HB% )
      2.300     0.600     0.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.85074E-02 ppm1      1.529 ppm2      0.787 CV     1
 OR { 1266}
   (  segid "PAH " and resid 365  and name HD1%)
   (  segid "PAH " and resid 327  and name HB% )
 ASSI { 1270}
   (( segid "PAH " and resid 358  and name HA  ))
   (  segid "PAH " and resid 331  and name HG2%)
      2.800     1.000     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      0.797 ppm2      3.439 CV     1
 ASSI { 1271}
   (( segid "PAH " and resid 314  and name HA  ))
   (  segid "PAH " and resid 314  and name HG2%)
      2.500     0.800     0.800 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.47627E-02 ppm1      0.782 ppm2      3.160 CV     1
 ASSI { 1272}
   (( segid "PAH " and resid 361  and name HB1 ))
   (  segid "PAH " and resid 331  and name HG2%)
      3.000     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.18220E-02 ppm1      0.797 ppm2      2.095 CV     1
 OR { 1272}
   (( segid "PAH " and resid 361  and name HB2 ))
   (  segid "PAH " and resid 331  and name HG2%)
 ASSI { 1273}
   (( segid "PAH " and resid 331  and name HB  ))
   (  segid "PAH " and resid 331  and name HG2%)
      2.100     0.500     0.500 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.11589E-01 ppm1      0.790 ppm2      1.815 CV     1
 ASSI { 1276}
   (( segid "PAH " and resid 314  and name HG12))
   (  segid "PAH " and resid 314  and name HG2%)
      2.700     0.900     0.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      0.790 ppm2      0.344 CV     1
 ASSI { 1277}
   (  segid "PAH " and resid 314  and name HD1%)
   (  segid "PAH " and resid 314  and name HG2%)
      2.500     0.800     0.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.40861E-02 ppm1      0.780 ppm2      0.073 CV     1
 ASSI { 1279}
   (( segid "PAH " and resid 360  and name HA  ))
   (  segid "PAH " and resid 363  and name HB% )
      2.400     0.700     0.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.57674E-02 ppm1      1.240 ppm2      4.057 CV     1
 ASSI { 1282}
   (  segid "PAH " and resid 373  and name HD1%)
   (  segid "PAH " and resid 363  and name HB% )
      2.600     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.42669E-02 ppm1      1.240 ppm2      0.956 CV     1
 ASSI { 1286}
   (( segid "PAH " and resid 308  and name HA  ))
   (  segid "PAH " and resid 308  and name HG2%)
      2.600     0.800     0.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.33426E-02 ppm1      0.890 ppm2      3.484 CV     1
 ASSI { 1289}
   (( segid "PAH " and resid 308  and name HG12))
   (  segid "PAH " and resid 308  and name HG2%)
      2.400     0.700     0.700 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.50038E-02 ppm1      0.897 ppm2      0.663 CV     1
 ASSI { 1290}
   (  segid "PAH " and resid 308  and name HD1%)
   (  segid "PAH " and resid 308  and name HG2%)
      2.400     0.700     0.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.47560E-02 ppm1      0.890 ppm2      0.500 CV     1
 ASSI { 1293}
   (( segid "PAH " and resid 361  and name HA  ))
   (  segid "PAH " and resid 331  and name HD1%)
      4.000     2.000     2.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.52651E-03 ppm1      0.735 ppm2      3.977 CV     1
 ASSI { 1294}
   (( segid "PAH " and resid 365  and name HG  ))
   (  segid "PAH " and resid 331  and name HD1%)
      3.500     1.500     1.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.75690E-03 ppm1      0.734 ppm2      1.669 CV     1
 ASSI { 1296}
   (( segid "PAH " and resid 365  and name HA  ))
   (( segid "PAH " and resid 364  and name HD2 ))
      3.600     1.700     1.700 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.31550E-03 ppm1      3.222 ppm2      3.982 CV     1
 OR { 1296}
   (( segid "PAH " and resid 365  and name HA  ))
   (( segid "PAH " and resid 364  and name HD1 ))
 ASSI { 1297}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HE2 ))
      3.400     1.400     1.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      2.815 ppm2      1.357 CV     1
 OR { 1297}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 ASSI { 1298}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HE2 ))
      3.300     1.400     1.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      2.813 ppm2      1.616 CV     1
 OR { 1298}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 ASSI { 1301}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HG2 ))
      2.700     0.900     0.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.38249E-02 ppm1      2.268 ppm2      4.173 CV     1
 ASSI { 1303}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 376  and name HB1 ))
      2.700     0.900     0.900 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.24248E-02 ppm1      4.068 ppm2      4.390 CV     1
 ASSI { 1307}
   (  segid "SID " and resid 15   and name HB% )
   (( segid "PAH " and resid 308  and name HG12))
      2.900     1.000     1.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.15072E-02 ppm1      0.650 ppm2      1.301 CV     1
 ASSI { 1313}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 351  and name HG2 ))
      4.400     2.400     1.600 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.31148E-03 ppm1      1.968 ppm2      4.402 CV     1
 ASSI { 1315}
   (( segid "PAH " and resid 335  and name HB1 ))
   (  segid "PAH " and resid 353  and name HD1%)
      5.000     3.200     1.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.14335E-03 ppm1      0.922 ppm2      3.263 CV     1
 OR { 1315}
   (( segid "PAH " and resid 335  and name HB1 ))
   (  segid "PAH " and resid 353  and name HD2%)
 ASSI { 1319}
   (( segid "PAH " and resid 381  and name HD2 ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.400     1.400     1.400 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.94451E-03 ppm1      0.745 ppm2      3.674 CV     1
 OR { 1319}
   (( segid "PAH " and resid 381  and name HD1 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1320}
   (( segid "PAH " and resid 310  and name HB1 ))
   (( segid "PAH " and resid 307  and name HA  ))
      3.300     1.400     1.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.65244E-03 ppm1      4.154 ppm2      3.383 CV     1
 ASSI { 1323}
   (  segid "PAH " and resid 302  and name HG2%)
   (  segid "PAH " and resid 302  and name HG1%)
      2.100     0.500     0.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.15005E-01 ppm1      1.007 ppm2      0.930 CV     1
 ASSI { 1324}
   (( segid "SID " and resid 11   and name HG1 ))
   (  segid "PAH " and resid 307  and name HB% )
      4.000     2.000     2.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.26660E-03 ppm1      1.485 ppm2      2.901 CV     1
 ASSI { 1332}
   (  segid "SID " and resid 15   and name HB% )
   (  segid "PAH " and resid 308  and name HG2%)
      3.400     1.400     1.400 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.16679E-02 ppm1      0.899 ppm2      1.302 CV     1
 ASSI { 1333}
   (( segid "PAH " and resid 308  and name HG11))
   (  segid "PAH " and resid 308  and name HG2%)
      3.200     1.300     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      0.898 ppm2      1.219 CV     1
 ASSI { 1335}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "PAH " and resid 329  and name HD2%)
      3.900     1.900     1.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.31684E-03 ppm1      0.599 ppm2      3.987 CV     1
 ASSI { 1337}
   (( segid "PAH " and resid 329  and name HA  ))
   (  segid "PAH " and resid 329  and name HD1%)
      4.200     2.200     1.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.57674E-03 ppm1      0.630 ppm2      3.464 CV     1
 ASSI { 1345}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 361  and name HB1 ))
      4.100     2.100     1.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.52450E-03 ppm1      2.069 ppm2      0.515 CV     1
 OR { 1345}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 361  and name HB2 ))
 ASSI { 1352}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 377  and name HA2 ))
      3.800     1.800     1.800 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.34363E-03 ppm1      3.748 ppm2      0.797 CV     1
 OR { 1352}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 377  and name HA2 ))
 ASSI { 1353}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 377  and name HA2 ))
      3.100     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.91774E-03 ppm1      3.746 ppm2      1.343 CV     1
 OR { 1353}
   (( segid "PAH " and resid 380  and name HG  ))
   (( segid "PAH " and resid 377  and name HA2 ))
 ASSI { 1356}
   (( segid "PAH " and resid 377  and name HA2 ))
   (( segid "PAH " and resid 380  and name HG  ))
      3.800     1.800     1.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.34096E-03 ppm1      1.362 ppm2      3.774 CV     1
 ASSI { 1357}
   (( segid "PAH " and resid 380  and name HA  ))
   (( segid "PAH " and resid 380  and name HG  ))
      3.800     1.800     1.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.35100E-03 ppm1      1.371 ppm2      4.626 CV     1
 ASSI { 1358}
   (( segid "PAH " and resid 380  and name HB1 ))
   (( segid "PAH " and resid 380  and name HG  ))
      2.300     0.700     0.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.81720E-02 ppm1      1.376 ppm2      1.526 CV     1
 ASSI { 1362}
   (  segid "PAH " and resid 332  and name HD2%)
   (  segid "PAH " and resid 358  and name HG2%)
      3.500     1.500     1.500 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.70335E-03 ppm1      0.750 ppm2      0.397 CV     1
 ASSI { 1364}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "PAH " and resid 358  and name HG2%)
      3.400     1.400     1.400 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      0.745 ppm2      1.018 CV     1
 ASSI { 1372}
   (( segid "SID " and resid 8    and name HB2 ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.100     1.200     1.200 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      0.769 ppm2      3.003 CV     1
 ASSI { 1379}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 369  and name HG2 ))
      3.400     1.500     1.500 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.45818E-03 ppm1      2.262 ppm2      0.225 CV     1
 ASSI { 1382}
   (( segid "PAH " and resid 369  and name HB2 ))
   (( segid "PAH " and resid 366  and name HA  ))
      3.400     1.400     1.400 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.82390E-03 ppm1      4.920 ppm2      1.806 CV     1
 ASSI { 1384}
   (( segid "PAH " and resid 353  and name HB1 ))
   (( segid "PAH " and resid 335  and name HA  ))
      3.800     1.800     1.800 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.39186E-03 ppm1      4.082 ppm2      1.680 CV     1
 OR { 1384}
   (( segid "PAH " and resid 353  and name HG  ))
   (( segid "PAH " and resid 335  and name HA  ))
 ASSI { 1385}
   (( segid "PAH " and resid 338  and name HG2 ))
   (  segid "PAH " and resid 334  and name HG2%)
      3.300     1.400     1.400 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.81051E-03 ppm1      1.288 ppm2      2.431 CV     1
 ASSI {    1}
   (  segid "PAH " and resid 366  and name HD% )
   (  segid "PAH " and resid 324  and name HG2%)
      3.300     1.400     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1     -0.001 ppm2     -1.380 CV     1
 ASSI {    3}
   (  segid "PAH " and resid 318  and name HE% )
   (  segid "PAH " and resid 324  and name HG2%)
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.26245E-02 ppm1     -0.004 ppm2     -1.087 CV     1
 OR {    3}
   (( segid "PAH " and resid 318  and name HZ  ))
   (  segid "PAH " and resid 324  and name HG2%)
 ASSI {    4}
   (  segid "PAH " and resid 318  and name HD% )
   (  segid "PAH " and resid 324  and name HG2%)
      3.300     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10203E-02 ppm1      0.000 ppm2     -0.698 CV     1
 ASSI {    5}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 331  and name HD1%)
      3.600     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.55314E-03 ppm1      0.741 ppm2     -1.180 CV     1
 ASSI {    6}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 314  and name HD1%)
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.16363E-02 ppm1      0.065 ppm2     -1.310 CV     1
 ASSI {    7}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 314  and name HD1%)
      2.400     0.700     0.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.47421E-02 ppm1      0.063 ppm2     -1.217 CV     1
 ASSI {    8}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 314  and name HD1%)
      2.800     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.23486E-02 ppm1      0.064 ppm2     -1.103 CV     1
 ASSI {    9}
   (( segid "PAH " and resid 328  and name HZ  ))
   (  segid "PAH " and resid 314  and name HD1%)
      3.300     1.400     1.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.94967E-03 ppm1      0.061 ppm2     -0.826 CV     1
 ASSI {   10}
   (  segid "PAH " and resid 325  and name HD% )
   (  segid "PAH " and resid 314  and name HD1%)
      3.800     1.800     1.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.77647E-03 ppm1      0.067 ppm2     -0.948 CV     1
 ASSI {   11}
   (  segid "PAH " and resid 310  and name HD% )
   (  segid "PAH " and resid 314  and name HD1%)
      3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12577E-02 ppm1      0.065 ppm2     -1.027 CV     1
 ASSI {   13}
   (  segid "SID " and resid 18   and name HE% )
   (  segid "PAH " and resid 308  and name HD1%)
      3.300     1.300     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.91759E-03 ppm1      0.490 ppm2     -1.099 CV     1
 ASSI {   14}
   (  segid "PAH " and resid 304  and name HE% )
   (  segid "PAH " and resid 308  and name HD1%)
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      0.490 ppm2     -0.956 CV     1
 ASSI {   16}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 353  and name HB1 ))
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.51143E-03 ppm1      1.684 ppm2     -1.046 CV     1
 ASSI {   17}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 353  and name HB2 ))
      5.200     3.400     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.84063E-04 ppm1      1.584 ppm2     -1.048 CV     1
 ASSI {   18}
   (  segid "PAH " and resid 318  and name HE% )
   (  segid "PAH " and resid 324  and name HD1%)
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      0.769 ppm2     -1.086 CV     1
 ASSI {   19}
   (  segid "PAH " and resid 318  and name HD% )
   (  segid "PAH " and resid 324  and name HD1%)
      3.400     1.400     1.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      0.775 ppm2     -0.700 CV     1
 ASSI {   20}
   (  segid "PAH " and resid 366  and name HE% )
   (( segid "PAH " and resid 365  and name HB1 ))
      3.500     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.57560E-03 ppm1      1.519 ppm2     -1.347 CV     1
 ASSI {   22}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HE2 ))
      3.000     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.94967E-03 ppm1      2.818 ppm2     -1.256 CV     1
 OR {   22}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HE1 ))
 ASSI {   24}
   (  segid "PAH " and resid 366  and name HE% )
   (( segid "PAH " and resid 372  and name HB2 ))
      4.100     2.100     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.38694E-03 ppm1      0.979 ppm2     -1.327 CV     1
 ASSI {   26}
   (  segid "PAH " and resid 366  and name HD% )
   (( segid "PAH " and resid 372  and name HB2 ))
      3.900     1.900     1.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.31636E-03 ppm1      0.978 ppm2     -1.389 CV     1
 ASSI {   27}
   (  segid "PAH " and resid 349  and name HD% )
   (( segid "PAH " and resid 349  and name HB1 ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.38180E-02 ppm1      2.969 ppm2     -1.064 CV     1
 ASSI {   29}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 349  and name HB2 ))
      4.600     2.600     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.35678E-03 ppm1      2.799 ppm2     -1.175 CV     1
 ASSI {   31}
   (  segid "PAH " and resid 304  and name HD% )
   (( segid "PAH " and resid 304  and name HB1 ))
      2.900     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.16492E-02 ppm1      3.236 ppm2     -0.842 CV     1
 ASSI {   33}
   (  segid "PAH " and resid 376  and name HD% )
   (( segid "PAH " and resid 376  and name HB1 ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.25411E-02 ppm1      4.079 ppm2     -0.612 CV     1
 ASSI {   35}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 379  and name HB1 ))
      2.800     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.23807E-02 ppm1      2.875 ppm2     -0.787 CV     1
 ASSI {   36}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 379  and name HB2 ))
      2.800     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.20277E-02 ppm1      2.566 ppm2     -0.782 CV     1
 ASSI {   40}
   (  segid "PAH " and resid 325  and name HD% )
   (( segid "PAH " and resid 325  and name HB2 ))
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.35485E-02 ppm1      3.113 ppm2     -0.947 CV     1
 OR {   40}
   (  segid "PAH " and resid 325  and name HD% )
   (( segid "PAH " and resid 325  and name HB1 ))
 ASSI {   42}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HB1 ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32534E-02 ppm1      3.455 ppm2     -1.177 CV     1
 ASSI {   43}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HB2 ))
      2.600     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36961E-02 ppm1      3.012 ppm2     -1.183 CV     1
 ASSI {   46}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 325  and name HB1 ))
      4.100     2.100     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.62373E-03 ppm1      3.170 ppm2     -1.251 CV     1
 ASSI {   47}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 325  and name HB2 ))
      4.200     2.200     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.14053E-03 ppm1      3.101 ppm2     -1.249 CV     1
 ASSI {   49}
   (  segid "PAH " and resid 318  and name HD% )
   (( segid "PAH " and resid 318  and name HB1 ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.22331E-02 ppm1      3.889 ppm2     -0.703 CV     1
 ASSI {   54}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 341  and name HB1 ))
      3.600     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.49282E-03 ppm1      2.738 ppm2     -1.171 CV     1
 ASSI {   58}
   (  segid "PAH " and resid 366  and name HD% )
   (( segid "PAH " and resid 366  and name HB1 ))
      3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.16427E-02 ppm1      3.735 ppm2     -1.387 CV     1
 ASSI {   59}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 375  and name HG1 ))
      3.300     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      2.377 ppm2     -1.218 CV     1
 ASSI {   60}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 375  and name HG2 ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.84063E-03 ppm1      1.941 ppm2     -1.212 CV     1
 ASSI {   62}
   (  segid "PAH " and resid 335  and name HE% )
   (( segid "PAH " and resid 339  and name HG1 ))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      1.919 ppm2     -1.251 CV     1
 OR {   62}
   (  segid "PAH " and resid 335  and name HE% )
   (( segid "PAH " and resid 339  and name HG2 ))
 ASSI {   63}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 351  and name HB2 ))
      4.300     2.300     1.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.68019E-03 ppm1      1.900 ppm2     -1.171 CV     1
 ASSI {   66}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HB2 ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.86631E-03 ppm1      1.351 ppm2     -1.253 CV     1
 ASSI {   68}
   (  segid "PAH " and resid 359  and name HD% )
   (( segid "PAH " and resid 359  and name HA  ))
      2.600     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.35935E-02 ppm1      3.887 ppm2     -0.897 CV     1
 ASSI {   69}
   (( segid "PAH " and resid 318  and name HZ  ))
   (( segid "PAH " and resid 369  and name HG1 ))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      2.439 ppm2     -1.100 CV     1
 OR {   69}
   (  segid "PAH " and resid 318  and name HE% )
   (( segid "PAH " and resid 369  and name HG1 ))
 ASSI {   70}
   (( segid "PAH " and resid 318  and name HZ  ))
   (( segid "PAH " and resid 369  and name HG2 ))
      3.300     1.400     1.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10909E-02 ppm1      2.272 ppm2     -1.100 CV     1
 OR {   70}
   (  segid "PAH " and resid 318  and name HE% )
   (( segid "PAH " and resid 369  and name HG2 ))
 ASSI {   71}
   (  segid "PAH " and resid 359  and name HE% )
   (( segid "PAH " and resid 359  and name HA  ))
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.96895E-03 ppm1      3.891 ppm2     -1.141 CV     1
 ASSI {   72}
   (  segid "PAH " and resid 349  and name HD% )
   (( segid "PAH " and resid 351  and name HA  ))
      3.700     1.700     1.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.57945E-03 ppm1      4.390 ppm2     -1.065 CV     1
 ASSI {   73}
   (  segid "PAH " and resid 318  and name HD% )
   (( segid "PAH " and resid 321  and name HB2 ))
      3.300     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.80215E-03 ppm1      2.183 ppm2     -0.706 CV     1
 ASSI {   74}
   (  segid "PAH " and resid 318  and name HD% )
   (( segid "PAH " and resid 321  and name HB1 ))
      3.900     1.900     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.45047E-03 ppm1      2.382 ppm2     -0.697 CV     1
 ASSI {   79}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 313  and name HD2 ))
      3.800     1.800     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.41967E-03 ppm1      1.700 ppm2     -1.206 CV     1
 OR {   79}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 313  and name HD1 ))
 ASSI {   80}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 313  and name HD2 ))
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      1.691 ppm2     -1.043 CV     1
 OR {   80}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 313  and name HD1 ))
 ASSI {   83}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 376  and name HA  ))
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.29261E-02 ppm1      4.368 ppm2     -0.784 CV     1
 ASSI {   85}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 310  and name HA  ))
      2.400     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.48063E-02 ppm1      4.451 ppm2     -1.049 CV     1
 ASSI {   87}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 325  and name HA  ))
      3.900     1.900     1.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.85983E-03 ppm1      4.189 ppm2     -1.255 CV     1
 ASSI {   88}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 325  and name HA  ))
      3.700     1.700     1.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.77647E-03 ppm1      4.189 ppm2     -1.183 CV     1
 ASSI {   89}
   (  segid "PAH " and resid 304  and name HD% )
   (( segid "PAH " and resid 304  and name HA  ))
      2.900     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.20470E-02 ppm1      4.483 ppm2     -0.846 CV     1
 ASSI {   90}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HA  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      3.889 ppm2     -1.178 CV     1
 ASSI {   94}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HA  ))
      4.300     2.300     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.26438E-03 ppm1      3.162 ppm2     -1.259 CV     1
 ASSI {   95}
   (  segid "PAH " and resid 325  and name HD% )
   (( segid "PAH " and resid 315  and name HA  ))
      3.000     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14181E-02 ppm1      3.165 ppm2     -0.943 CV     1
 ASSI {   98}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 379  and name HA  ))
      3.000     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.14759E-02 ppm1      4.132 ppm2     -0.787 CV     1
 ASSI {  102}
   (( segid "PAH " and resid 306  and name HD2 ))
   (( segid "PAH " and resid 306  and name HA  ))
      3.300     1.300     1.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.11229E-02 ppm1      4.654 ppm2     -0.619 CV     1
 ASSI {  104}
   (  segid "PAH " and resid 318  and name HD% )
   (( segid "PAH " and resid 318  and name HA  ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.34588E-02 ppm1      4.903 ppm2     -0.703 CV     1
 ASSI {  105}
   (  segid "PAH " and resid 318  and name HE% )
   (  segid "PAH " and resid 372  and name HD2%)
      2.600     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.34588E-02 ppm1      0.220 ppm2     -1.081 CV     1
 ASSI {  106}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 380  and name HD1%)
      2.900     1.100     1.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.18096E-02 ppm1      0.797 ppm2     -0.892 CV     1
 ASSI {  107}
   (( segid "PAH " and resid 328  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD2%)
      3.200     1.300     1.300 peak   107 spectrum    1 weight  0.10000E+01 volume  0.12128E-02 ppm1      0.393 ppm2     -0.820 CV     1
 ASSI {  108}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 332  and name HD2%)
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.53196E-03 ppm1      0.392 ppm2     -0.905 CV     1
 ASSI {  109}
   (  segid "PAH " and resid 335  and name HD% )
   (  segid "PAH " and resid 332  and name HD2%)
      4.000     2.000     2.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.68019E-03 ppm1      0.393 ppm2     -1.016 CV     1
 ASSI {  110}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 332  and name HD2%)
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.14502E-02 ppm1      0.386 ppm2     -1.100 CV     1
 ASSI {  111}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD2%)
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      0.389 ppm2     -1.178 CV     1
 ASSI {  112}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 372  and name HD2%)
      3.300     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.80215E-03 ppm1      0.219 ppm2     -1.323 CV     1
 ASSI {  113}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 380  and name HD1%)
      3.300     1.300     1.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      0.796 ppm2     -1.158 CV     1
 ASSI {  114}
   (  segid "PAH " and resid 325  and name HE% )
   (  segid "PAH " and resid 329  and name HD1%)
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.22074E-02 ppm1      0.631 ppm2     -1.254 CV     1
 ASSI {  115}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 329  and name HD1%)
      4.700     2.800     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.26309E-03 ppm1      0.631 ppm2     -1.173 CV     1
 ASSI {  117}
   (  segid "PAH " and resid 335  and name HD% )
   (  segid "PAH " and resid 353  and name HD2%)
      3.500     1.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.77647E-03 ppm1      0.928 ppm2     -1.048 CV     1
 ASSI {  118}
   (  segid "PAH " and resid 366  and name HD% )
   (  segid "PAH " and resid 373  and name HD1%)
      3.400     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.85983E-03 ppm1      0.946 ppm2     -1.385 CV     1
 ASSI {  119}
   (  segid "PAH " and resid 359  and name HE% )
   (  segid "PAH " and resid 373  and name HD1%)
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.11358E-02 ppm1      0.948 ppm2     -1.135 CV     1
 ASSI {  120}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HG1 ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.56469E-03 ppm1      0.700 ppm2     -1.246 CV     1
 ASSI {  122}
   (  segid "PAH " and resid 359  and name HD% )
   (  segid "PAH " and resid 373  and name HD1%)
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.69302E-03 ppm1      0.950 ppm2     -0.876 CV     1
 ASSI {  123}
   (  segid "PAH " and resid 325  and name HE% )
   (  segid "PAH " and resid 311  and name HG1%)
      3.200     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      1.224 ppm2     -1.241 CV     1
 ASSI {  125}
   (  segid "PAH " and resid 335  and name HE% )
   (  segid "PAH " and resid 380  and name HD2%)
      3.400     1.400     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.99463E-03 ppm1      0.750 ppm2     -1.239 CV     1
 ASSI {  126}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.300     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      0.751 ppm2     -1.182 CV     1
 ASSI {  127}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 380  and name HD2%)
      2.800     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.24064E-02 ppm1      0.751 ppm2     -0.901 CV     1
 ASSI {  128}
   (  segid "PAH " and resid 376  and name HD% )
   (  segid "PAH " and resid 380  and name HD2%)
      3.900     1.900     1.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.44919E-03 ppm1      0.753 ppm2     -0.612 CV     1
 ASSI {  132}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 358  and name HG1%)
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      0.815 ppm2     -0.890 CV     1
 ASSI {  133}
   (  segid "PAH " and resid 335  and name HD% )
   (  segid "PAH " and resid 358  and name HG1%)
      3.000     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.34010E-02 ppm1      0.829 ppm2     -1.048 CV     1
 ASSI {  136}
   (  segid "PAH " and resid 366  and name HD% )
   (  segid "PAH " and resid 373  and name HD2%)
      3.000     1.100     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.17518E-02 ppm1      0.817 ppm2     -1.386 CV     1
 ASSI {  138}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 373  and name HD2%)
      3.300     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.13797E-02 ppm1      0.771 ppm2     -1.337 CV     1
 ASSI {  139}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 362  and name HG1%)
      3.300     1.400     1.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.69945E-03 ppm1      0.505 ppm2     -1.311 CV     1
 ASSI {  140}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 362  and name HG1%)
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.39079E-02 ppm1      0.504 ppm2     -1.103 CV     1
 ASSI {  141}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 362  and name HG1%)
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.62758E-02 ppm1      0.502 ppm2     -1.181 CV     1
 ASSI {  144}
   (  segid "PAH " and resid 379  and name HE% )
   (( segid "PAH " and resid 307  and name HA  ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.56019E-03 ppm1      4.156 ppm2     -1.202 CV     1
 ASSI {  145}
   (  segid "PAH " and resid 359  and name HD% )
   (( segid "PAH " and resid 360  and name HA  ))
      3.400     1.500     1.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.74439E-03 ppm1      4.046 ppm2     -0.886 CV     1
 ASSI {  148}
   (  segid "PAH " and resid 366  and name HD% )
   (  segid "PAH " and resid 372  and name HD1%)
      3.900     1.900     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.59292E-03 ppm1      0.543 ppm2     -1.388 CV     1
 ASSI {  149}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 372  and name HD1%)
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.49667E-02 ppm1      0.545 ppm2     -1.216 CV     1
 ASSI {  150}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 332  and name HD1%)
      2.600     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.43827E-02 ppm1      0.556 ppm2     -1.178 CV     1
 ASSI {  151}
   (  segid "PAH " and resid 325  and name HE% )
   (  segid "PAH " and resid 329  and name HD2%)
      3.000     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.19251E-02 ppm1      0.608 ppm2     -1.249 CV     1
 ASSI {  152}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 329  and name HD2%)
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      0.609 ppm2     -1.177 CV     1
 ASSI {  153}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 329  and name HD2%)
      3.000     1.200     1.200 peak   153 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      0.610 ppm2     -1.098 CV     1
 ASSI {  155}
   (( segid "PAH " and resid 328  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD1%)
      3.300     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.94327E-03 ppm1      0.558 ppm2     -0.813 CV     1
 ASSI {  156}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 358  and name HG2%)
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.18032E-02 ppm1      0.755 ppm2     -0.905 CV     1
 ASSI {  157}
   (  segid "PAH " and resid 335  and name HD% )
   (  segid "PAH " and resid 358  and name HG2%)
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10845E-02 ppm1      0.756 ppm2     -1.046 CV     1
 ASSI {  158}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 358  and name HG2%)
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.33496E-02 ppm1      0.756 ppm2     -1.183 CV     1
 ASSI {  159}
   (  segid "PAH " and resid 366  and name HD% )
   (( segid "PAH " and resid 366  and name HA  ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.48255E-02 ppm1      4.930 ppm2     -1.385 CV     1
 ASSI {  160}
   (( segid "PAH " and resid 318  and name HZ  ))
   (( segid "PAH " and resid 366  and name HA  ))
      3.300     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.12833E-02 ppm1      4.929 ppm2     -1.120 CV     1
 ASSI {  161}
   (  segid "PAH " and resid 366  and name HD% )
   (  segid "PAH " and resid 362  and name HG2%)
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.13347E-02 ppm1     -0.331 ppm2     -1.382 CV     1
 ASSI {  162}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 362  and name HG2%)
      3.700     1.700     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.10652E-02 ppm1     -0.330 ppm2     -1.315 CV     1
 ASSI {  164}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 362  and name HG2%)
      3.000     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.14952E-02 ppm1     -0.331 ppm2     -1.105 CV     1
 ASSI {  165}
   (  segid "PAH " and resid 349  and name HE% )
   (  segid "PAH " and resid 345  and name HB% )
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.61282E-03 ppm1      1.442 ppm2     -1.163 CV     1
 ASSI {  166}
   (  segid "PAH " and resid 349  and name HD% )
   (  segid "PAH " and resid 345  and name HB% )
      3.100     1.200     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.16813E-02 ppm1      1.443 ppm2     -1.066 CV     1
 ASSI {  167}
   (( segid "PAH " and resid 379  and name HZ  ))
   (  segid "PAH " and resid 307  and name HB% )
      3.300     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.56212E-03 ppm1      1.493 ppm2     -1.401 CV     1
 ASSI {  168}
   (  segid "PAH " and resid 349  and name HE% )
   (  segid "PAH " and resid 342  and name HB% )
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.20791E-02 ppm1      1.493 ppm2     -1.205 CV     1
 ASSI {  169}
   (  segid "PAH " and resid 349  and name HD% )
   (  segid "PAH " and resid 342  and name HB% )
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.31443E-02 ppm1      1.469 ppm2     -1.065 CV     1
 ASSI {  170}
   (  segid "PAH " and resid 304  and name HD% )
   (  segid "PAH " and resid 307  and name HB% )
      3.400     1.400     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      1.494 ppm2     -0.833 CV     1
 ASSI {  172}
   (  segid "PAH " and resid 318  and name HD% )
   (  segid "PAH " and resid 314  and name HG2%)
      2.500     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.39015E-02 ppm1      0.788 ppm2     -0.704 CV     1
 ASSI {  176}
   (  segid "PAH " and resid 366  and name HE% )
   (  segid "PAH " and resid 314  and name HG2%)
      2.900     1.100     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.18801E-02 ppm1      0.787 ppm2     -1.312 CV     1
 ASSI {  181}
   (  segid "SID " and resid 18   and name HE% )
   (  segid "PAH " and resid 308  and name HG2%)
      3.600     1.600     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.78287E-03 ppm1      0.893 ppm2     -1.103 CV     1
 ASSI {  182}
   (( segid "PAH " and resid 366  and name HZ  ))
   (  segid "PAH " and resid 314  and name HG2%)
      2.800     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.25540E-02 ppm1      0.786 ppm2      5.963 CV     1
 ASSI {  183}
   (( segid "PAH " and resid 366  and name HZ  ))
   (  segid "PAH " and resid 314  and name HD1%)
      2.800     1.000     1.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.24512E-02 ppm1      0.063 ppm2      5.962 CV     1
 ASSI {  186}
   (( segid "PAH " and resid 342  and name HA  ))
   (  segid "PAH " and resid 345  and name HB% )
      2.600     0.800     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.41582E-02 ppm1      1.445 ppm2      3.943 CV     1
 ASSI {  187}
   (( segid "PAH " and resid 304  and name HA  ))
   (  segid "PAH " and resid 307  and name HB% )
      2.700     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      1.489 ppm2      4.481 CV     1
 ASSI {  189}
   (( segid "PAH " and resid 324  and name HA  ))
   (  segid "PAH " and resid 327  and name HB% )
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.63784E-02 ppm1      1.531 ppm2      3.702 CV     1
 ASSI {  190}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 332  and name HD1%)
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.30224E-02 ppm1      0.554 ppm2     -1.057 CV     1
 ASSI {  191}
   (( segid "PAH " and resid 379  and name HZ  ))
   (( segid "PAH " and resid 310  and name HB2 ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.31892E-03 ppm1      2.931 ppm2     -1.393 CV     1
 ASSI {    1}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      7.169 ppm2      4.190 CV     1
 ASSI {    2}
   (  segid "SID " and resid 18   and name HD% )
   (  segid "SID " and resid 18   and name HE% )
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.13540E-01 ppm1      7.172 ppm2      6.904 CV     1
 ASSI {    3}
   (  segid "SID " and resid 18   and name HD% )
   (  segid "SID " and resid 19   and name HD2%)
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.34744E-02 ppm1      7.167 ppm2      0.995 CV     1
 OR {    3}
   (  segid "SID " and resid 18   and name HD% )
   (  segid "SID " and resid 19   and name HD1%)
 ASSI {    4}
   (  segid "SID " and resid 18   and name HE% )
   (  segid "SID " and resid 19   and name HD1%)
      3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      6.902 ppm2      1.001 CV     1
 ASSI {    5}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 19   and name HB1 ))
      2.900     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.27506E-02 ppm1      7.170 ppm2      2.015 CV     1
 OR {    5}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 19   and name HB2 ))
 ASSI {    6}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 18   and name HB2 ))
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.36277E-02 ppm1      7.170 ppm2      3.435 CV     1
 ASSI {    7}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 18   and name HB1 ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.31764E-02 ppm1      7.170 ppm2      3.533 CV     1
 ASSI {    9}
   (( segid "SID " and resid 8    and name HA  ))
   (( segid "SID " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.35936E-02 ppm1      5.291 ppm2      2.993 CV     1
 ASSI {   10}
   (( segid "SID " and resid 8    and name HA  ))
   (( segid "SID " and resid 8    and name HB1 ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.34829E-02 ppm1      5.291 ppm2      3.386 CV     1
 ASSI {   12}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.33041E-02 ppm1      4.573 ppm2      1.921 CV     1
 ASSI {   13}
   (( segid "SID " and resid 17   and name HA  ))
   (  segid "SID " and resid 16   and name HB% )
      3.900     1.900     1.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.53308E-03 ppm1      4.502 ppm2      1.655 CV     1
 ASSI {   14}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19330E-02 ppm1      4.502 ppm2      2.146 CV     1
 ASSI {   15}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 20   and name HB1 ))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.11325E-02 ppm1      4.501 ppm2      2.277 CV     1
 ASSI {   17}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 7    and name HG2 ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1      4.569 ppm2      2.358 CV     1
 ASSI {   18}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 7    and name HG1 ))
      3.300     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14647E-02 ppm1      4.571 ppm2      2.462 CV     1
 ASSI {   19}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.43856E-02 ppm1      4.505 ppm2      2.794 CV     1
 ASSI {   20}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.44963E-02 ppm1      4.502 ppm2      2.915 CV     1
 ASSI {   21}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 11   and name HG1 ))
      2.900     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.24184E-02 ppm1      4.307 ppm2      2.893 CV     1
 ASSI {   22}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.26739E-02 ppm1      4.306 ppm2      2.668 CV     1
 ASSI {   23}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      4.307 ppm2      2.558 CV     1
 ASSI {   26}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HB2 ))
      2.600     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.41471E-02 ppm1      4.310 ppm2      1.879 CV     1
 OR {   26}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HB1 ))
 ASSI {   27}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HG1 ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.36702E-02 ppm1      4.313 ppm2      1.764 CV     1
 ASSI {   28}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HG2 ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.31508E-02 ppm1      4.315 ppm2      1.667 CV     1
 ASSI {   29}
   (( segid "SID " and resid 20   and name HA  ))
   (( segid "SID " and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.44452E-02 ppm1      4.247 ppm2      2.147 CV     1
 ASSI {   32}
   (( segid "SID " and resid 20   and name HA  ))
   (( segid "SID " and resid 20   and name HG1 ))
      3.000     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.20352E-02 ppm1      4.249 ppm2      2.509 CV     1
 ASSI {   34}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 17   and name HB2 ))
      3.400     1.400     1.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12689E-02 ppm1      4.258 ppm2      2.798 CV     1
 ASSI {   35}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 17   and name HB1 ))
      2.900     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.23333E-02 ppm1      4.255 ppm2      2.917 CV     1
 ASSI {   36}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HD2 ))
      3.700     1.700     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      4.312 ppm2      3.231 CV     1
 OR {   36}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 6    and name HD1 ))
 ASSI {   38}
   (( segid "SID " and resid 18   and name HA  ))
   (( segid "SID " and resid 18   and name HB2 ))
      2.600     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.34233E-02 ppm1      4.191 ppm2      3.429 CV     1
 ASSI {   39}
   (( segid "SID " and resid 18   and name HA  ))
   (( segid "SID " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.25802E-02 ppm1      4.192 ppm2      3.533 CV     1
 ASSI {   40}
   (( segid "SID " and resid 15   and name HA  ))
   (( segid "SID " and resid 18   and name HB2 ))
      3.500     1.600     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.16520E-02 ppm1      4.108 ppm2      3.431 CV     1
 ASSI {   41}
   (( segid "SID " and resid 15   and name HA  ))
   (( segid "SID " and resid 18   and name HB1 ))
      2.800     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19245E-02 ppm1      4.110 ppm2      3.537 CV     1
 ASSI {   42}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 10   and name HG1 ))
      2.800     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.35340E-02 ppm1      4.003 ppm2      2.474 CV     1
 OR {   42}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 10   and name HG2 ))
 ASSI {   43}
   (( segid "SID " and resid 16   and name HA  ))
   (( segid "SID " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.28017E-02 ppm1      4.158 ppm2      1.984 CV     1
 OR {   43}
   (( segid "SID " and resid 16   and name HA  ))
   (( segid "SID " and resid 19   and name HB1 ))
 ASSI {   44}
   (( segid "SID " and resid 21   and name HA  ))
   (( segid "SID " and resid 21   and name HB1 ))
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.80135E-02 ppm1      4.174 ppm2      1.843 CV     1
 OR {   44}
   (( segid "SID " and resid 21   and name HA  ))
   (( segid "SID " and resid 21   and name HB2 ))
 ASSI {   46}
   (( segid "SID " and resid 19   and name HA  ))
   (( segid "SID " and resid 19   and name HG  ))
      2.700     0.900     0.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.43600E-02 ppm1      4.069 ppm2      1.611 CV     1
 ASSI {   47}
   (( segid "SID " and resid 19   and name HA  ))
   (( segid "SID " and resid 19   and name HB1 ))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.55266E-02 ppm1      4.071 ppm2      1.993 CV     1
 OR {   47}
   (( segid "SID " and resid 19   and name HA  ))
   (( segid "SID " and resid 19   and name HB2 ))
 ASSI {   49}
   (( segid "SID " and resid 12   and name HA  ))
   (( segid "SID " and resid 12   and name HB1 ))
      2.600     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.27931E-02 ppm1      3.953 ppm2      2.081 CV     1
 ASSI {   50}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.36447E-02 ppm1      4.001 ppm2      2.159 CV     1
 ASSI {   51}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.40876E-02 ppm1      4.001 ppm2      2.270 CV     1
 ASSI {   52}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 9    and name HB  ))
      2.800     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.30912E-02 ppm1      3.830 ppm2      2.121 CV     1
 ASSI {   53}
   (( segid "SID " and resid 15   and name HA  ))
   (  segid "SID " and resid 15   and name HB% )
      2.300     0.600     0.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.83706E-02 ppm1      4.107 ppm2      1.296 CV     1
 ASSI {   54}
   (( segid "SID " and resid 19   and name HA  ))
   (  segid "SID " and resid 19   and name HD1%)
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.10134E-01 ppm1      4.070 ppm2      0.994 CV     1
 OR {   54}
   (( segid "SID " and resid 19   and name HA  ))
   (  segid "SID " and resid 19   and name HD2%)
 ASSI {   55}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "SID " and resid 19   and name HD2%)
      2.900     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.29379E-02 ppm1      4.158 ppm2      0.962 CV     1
 OR {   55}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "SID " and resid 19   and name HD1%)
 ASSI {   56}
   (( segid "SID " and resid 12   and name HA  ))
   (( segid "SID " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.53734E-02 ppm1      3.952 ppm2      1.336 CV     1
 ASSI {   58}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "SID " and resid 16   and name HB% )
      2.500     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.58928E-02 ppm1      3.978 ppm2      1.650 CV     1
 ASSI {   59}
   (( segid "SID " and resid 9    and name HA  ))
   (  segid "SID " and resid 9    and name HG2%)
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.34914E-02 ppm1      3.830 ppm2      0.994 CV     1
 ASSI {   63}
   (( segid "SID " and resid 9    and name HA  ))
   (  segid "SID " and resid 12   and name HD1%)
      2.900     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.24525E-02 ppm1      3.830 ppm2      0.803 CV     1
 ASSI {   64}
   (( segid "SID " and resid 9    and name HA  ))
   (  segid "SID " and resid 9    and name HD1%)
      2.800     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.31252E-02 ppm1      3.830 ppm2      0.619 CV     1
 ASSI {   65}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "SID " and resid 12   and name HD1%)
      3.800     1.800     1.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      3.952 ppm2      0.804 CV     1
 ASSI {   67}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "SID " and resid 13   and name HD2%)
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.80898E-02 ppm1      3.981 ppm2      0.528 CV     1
 ASSI {   68}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "SID " and resid 12   and name HD2%)
      2.500     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.48284E-02 ppm1      3.953 ppm2      0.382 CV     1
 ASSI {   69}
   (( segid "SID " and resid 8    and name HB1 ))
   (( segid "SID " and resid 8    and name HB2 ))
      2.000     0.500     0.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.97928E-02 ppm1      3.391 ppm2      2.996 CV     1
 ASSI {   70}
   (( segid "SID " and resid 11   and name HG1 ))
   (( segid "SID " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.40961E-02 ppm1      2.899 ppm2      2.253 CV     1
 OR {   70}
   (( segid "SID " and resid 11   and name HG1 ))
   (  segid "SID " and resid 11   and name HE% )
 ASSI {   71}
   (( segid "SID " and resid 12   and name HB1 ))
   (  segid "SID " and resid 12   and name HD2%)
      3.200     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      2.081 ppm2      0.376 CV     1
 ASSI {   72}
   (( segid "SID " and resid 9    and name HB  ))
   (  segid "SID " and resid 9    and name HD1%)
      2.800     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.33892E-02 ppm1      2.115 ppm2      0.622 CV     1
 ASSI {   73}
   (( segid "SID " and resid 12   and name HB1 ))
   (  segid "SID " and resid 12   and name HD1%)
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.29634E-02 ppm1      2.090 ppm2      0.803 CV     1
 ASSI {   74}
   (( segid "SID " and resid 9    and name HB  ))
   (  segid "SID " and resid 9    and name HG2%)
      2.200     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.84477E-02 ppm1      2.115 ppm2      0.993 CV     1
 ASSI {   75}
   (( segid "SID " and resid 13   and name HB1 ))
   (  segid "SID " and resid 13   and name HD2%)
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23162E-02 ppm1      1.979 ppm2      0.530 CV     1
 ASSI {   76}
   (( segid "SID " and resid 13   and name HB1 ))
   (  segid "SID " and resid 13   and name HD1%)
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.41471E-02 ppm1      1.979 ppm2      0.645 CV     1
 ASSI {   77}
   (( segid "SID " and resid 19   and name HB1 ))
   (  segid "SID " and resid 19   and name HD1%)
      2.000     0.500     0.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19586E-01 ppm1      2.001 ppm2      0.975 CV     1
 OR {   77}
   (( segid "SID " and resid 19   and name HB2 ))
   (  segid "SID " and resid 19   and name HD2%)
 OR {   77}
   (( segid "SID " and resid 19   and name HB1 ))
   (  segid "SID " and resid 19   and name HD2%)
 OR {   77}
   (( segid "SID " and resid 19   and name HB2 ))
   (  segid "SID " and resid 19   and name HD1%)
 ASSI {   78}
   (( segid "SID " and resid 12   and name HG  ))
   (  segid "SID " and resid 12   and name HD2%)
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.43771E-02 ppm1      1.560 ppm2      0.381 CV     1
 ASSI {   79}
   (( segid "SID " and resid 13   and name HG  ))
   (  segid "SID " and resid 13   and name HD2%)
      2.300     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.69573E-02 ppm1      1.601 ppm2      0.531 CV     1
 ASSI {   80}
   (( segid "SID " and resid 13   and name HB2 ))
   (  segid "SID " and resid 13   and name HD2%)
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.37809E-02 ppm1      1.506 ppm2      0.532 CV     1
 ASSI {   82}
   (( segid "SID " and resid 13   and name HB2 ))
   (  segid "SID " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.49221E-02 ppm1      1.508 ppm2      0.644 CV     1
 ASSI {   83}
   (( segid "SID " and resid 12   and name HB2 ))
   (  segid "SID " and resid 12   and name HD2%)
      3.100     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34318E-02 ppm1      1.321 ppm2      0.377 CV     1
 ASSI {   85}
   (( segid "SID " and resid 9    and name HG12))
   (  segid "SID " and resid 9    and name HD1%)
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.52201E-02 ppm1      1.341 ppm2      0.622 CV     1
 ASSI {   86}
   (( segid "SID " and resid 12   and name HB2 ))
   (  segid "SID " and resid 12   and name HD1%)
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.42068E-02 ppm1      1.327 ppm2      0.800 CV     1
 ASSI {   87}
   (( segid "SID " and resid 12   and name HG  ))
   (  segid "SID " and resid 12   and name HD1%)
      2.400     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.60972E-02 ppm1      1.564 ppm2      0.803 CV     1
 ASSI {   88}
   (( segid "SID " and resid 19   and name HG  ))
   (  segid "SID " and resid 19   and name HD1%)
      2.100     0.500     0.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.16095E-01 ppm1      1.625 ppm2      0.985 CV     1
 OR {   88}
   (( segid "SID " and resid 19   and name HG  ))
   (  segid "SID " and resid 19   and name HD2%)
 ASSI {   89}
   (( segid "SID " and resid 12   and name HB1 ))
   (( segid "SID " and resid 12   and name HB2 ))
      1.900     0.400     0.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13284E-01 ppm1      2.089 ppm2      1.330 CV     1
 ASSI {   90}
   (( segid "SID " and resid 13   and name HB1 ))
   (( segid "SID " and resid 13   and name HB2 ))
      1.800     0.400     0.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13284E-01 ppm1      1.978 ppm2      1.500 CV     1
 ASSI {   92}
   (( segid "SID " and resid 21   and name HD2 ))
   (( segid "SID " and resid 21   and name HG2 ))
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.14562E-02 ppm1      3.128 ppm2      1.669 CV     1
 ASSI {   93}
   (( segid "SID " and resid 6    and name HD1 ))
   (( segid "SID " and resid 6    and name HG2 ))
      2.400     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.65230E-02 ppm1      3.232 ppm2      1.676 CV     1
 OR {   93}
   (( segid "SID " and resid 6    and name HD2 ))
   (( segid "SID " and resid 6    and name HG2 ))
 ASSI {   94}
   (( segid "SID " and resid 6    and name HD2 ))
   (( segid "SID " and resid 6    and name HB1 ))
      3.000     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.19416E-02 ppm1      3.234 ppm2      1.879 CV     1
 OR {   94}
   (( segid "SID " and resid 6    and name HD2 ))
   (( segid "SID " and resid 6    and name HB2 ))
 OR {   94}
   (( segid "SID " and resid 6    and name HD1 ))
   (( segid "SID " and resid 6    and name HB2 ))
 OR {   94}
   (( segid "SID " and resid 6    and name HD1 ))
   (( segid "SID " and resid 6    and name HB1 ))
 ASSI {   97}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "SID " and resid 12   and name HD2%)
      2.400     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.72897E-02 ppm1      0.804 ppm2      0.374 CV     1
 ASSI {   99}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "SID " and resid 13   and name HD2%)
      3.300     1.300     1.300 peak    99 spectrum    1 weight  0.10000E+01 volume  0.19416E-02 ppm1      0.996 ppm2      0.531 CV     1
 ASSI {  101}
   (( segid "SID " and resid 9    and name HG11))
   (( segid "SID " and resid 9    and name HG12))
      1.800     0.400     0.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.18309E-01 ppm1      1.646 ppm2      1.346 CV     1
 ASSI {  102}
   (( segid "SID " and resid 11   and name HG1 ))
   (( segid "SID " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.31849E-02 ppm1      2.900 ppm2      2.555 CV     1
 ASSI {  103}
   (( segid "SID " and resid 11   and name HG1 ))
   (( segid "SID " and resid 11   and name HG2 ))
      2.000     0.500     0.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.11155E-01 ppm1      2.898 ppm2      2.667 CV     1
 ASSI {  111}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 10   and name HB2 ))
      3.900     1.900     1.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.49731E-03 ppm1      4.573 ppm2      2.168 CV     1
 ASSI {  112}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 11   and name HB1 ))
      4.600     2.600     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.37894E-03 ppm1      4.572 ppm2      2.555 CV     1
 ASSI {  113}
   (( segid "SID " and resid 8    and name HA  ))
   (( segid "SID " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.30231E-03 ppm1      5.295 ppm2      2.547 CV     1
 ASSI {  116}
   (( segid "SID " and resid 10   and name HA  ))
   (  segid "SID " and resid 9    and name HG2%)
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.46069E-03 ppm1      3.997 ppm2      0.995 CV     1
 ASSI {  117}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 9    and name HG11))
      3.200     1.300     1.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12348E-02 ppm1      3.829 ppm2      1.643 CV     1
 ASSI {  118}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 12   and name HB1 ))
      3.400     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.25972E-02 ppm1      3.830 ppm2      2.077 CV     1
 ASSI {  119}
   (( segid "SID " and resid 9    and name HA  ))
   (  segid "SID " and resid 12   and name HD2%)
      4.500     2.500     1.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.39939E-03 ppm1      3.826 ppm2      0.376 CV     1
 ASSI {  120}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 20   and name HG2 ))
      4.400     2.500     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.41471E-03 ppm1      4.499 ppm2      2.433 CV     1
 ASSI {  121}
   (( segid "SID " and resid 17   and name HA  ))
   (( segid "SID " and resid 20   and name HG1 ))
      4.200     2.200     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.56288E-03 ppm1      4.499 ppm2      2.523 CV     1
 ASSI {  122}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "SID " and resid 15   and name HB% )
      3.600     1.600     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.84557E-03 ppm1      4.160 ppm2      1.290 CV     1
 ASSI {  125}
   (( segid "SID " and resid 9    and name HG11))
   (  segid "SID " and resid 9    and name HD1%)
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.80215E-02 ppm1      1.646 ppm2      0.628 CV     1
 ASSI {    1}
   (( segid "PAH " and resid 296  and name HA  ))
   (( segid "PAH " and resid 297  and name HN  ))
      3.000     1.100     1.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.18740E-02 ppm1      8.427 ppm2      4.328 CV     1
 ASSI {    2}
   (( segid "PAH " and resid 297  and name HA  ))
   (( segid "PAH " and resid 297  and name HN  ))
      3.300     1.300     1.300 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10874E-02 ppm1      8.428 ppm2      3.992 CV     1
 ASSI {    3}
   (( segid "PAH " and resid 297  and name HB1 ))
   (( segid "PAH " and resid 297  and name HN  ))
      3.100     1.200     1.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      8.427 ppm2      1.859 CV     1
 ASSI {    4}
   (( segid "PAH " and resid 297  and name HB2 ))
   (( segid "PAH " and resid 297  and name HN  ))
      2.800     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.26921E-02 ppm1      8.427 ppm2      1.658 CV     1
 ASSI {    5}
   (( segid "PAH " and resid 296  and name HB2 ))
   (( segid "PAH " and resid 297  and name HN  ))
      3.700     1.700     1.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.62552E-03 ppm1      8.428 ppm2      1.564 CV     1
 ASSI {    6}
   (( segid "PAH " and resid 297  and name HA  ))
   (( segid "PAH " and resid 298  and name HN  ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      8.086 ppm2      3.982 CV     1
 ASSI {    7}
   (( segid "PAH " and resid 298  and name HB2 ))
   (( segid "PAH " and resid 298  and name HN  ))
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.16258E-02 ppm1      8.085 ppm2      2.746 CV     1
 ASSI {    8}
   (( segid "PAH " and resid 297  and name HB1 ))
   (( segid "PAH " and resid 298  and name HN  ))
      3.200     1.300     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.14595E-02 ppm1      8.082 ppm2      1.856 CV     1
 ASSI {   10}
   (( segid "PAH " and resid 299  and name HB1 ))
   (( segid "PAH " and resid 299  and name HN  ))
      3.400     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11718E-02 ppm1      8.283 ppm2      2.850 CV     1
 ASSI {   11}
   (( segid "PAH " and resid 301  and name HD2 ))
   (( segid "PAH " and resid 300  and name HN  ))
      3.600     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      8.250 ppm2      3.641 CV     1
 ASSI {   12}
   (( segid "PAH " and resid 299  and name HB2 ))
   (( segid "PAH " and resid 300  and name HN  ))
      3.500     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.95018E-03 ppm1      8.248 ppm2      2.759 CV     1
 ASSI {   13}
   (( segid "PAH " and resid 299  and name HB1 ))
   (( segid "PAH " and resid 300  and name HN  ))
      3.800     1.800     1.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.42493E-03 ppm1      8.247 ppm2      2.847 CV     1
 ASSI {   15}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 300  and name HN  ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.29296E-02 ppm1      8.246 ppm2      2.207 CV     1
 ASSI {   16}
   (( segid "PAH " and resid 300  and name HB2 ))
   (( segid "PAH " and resid 300  and name HN  ))
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.36950E-02 ppm1      8.247 ppm2      1.934 CV     1
 OR {   16}
   (( segid "PAH " and resid 300  and name HB1 ))
   (( segid "PAH " and resid 300  and name HN  ))
 ASSI {   17}
   (( segid "PAH " and resid 303  and name HN  ))
   (( segid "PAH " and resid 302  and name HN  ))
      2.800     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.20270E-02 ppm1      8.379 ppm2      8.843 CV     1
 ASSI {   18}
   (( segid "PAH " and resid 301  and name HA  ))
   (( segid "PAH " and resid 302  and name HN  ))
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      8.380 ppm2      4.499 CV     1
 ASSI {   19}
   (( segid "PAH " and resid 302  and name HA  ))
   (( segid "PAH " and resid 302  and name HN  ))
      2.900     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.20613E-02 ppm1      8.382 ppm2      3.864 CV     1
 ASSI {   20}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 302  and name HN  ))
      5.100     3.200     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13196E-03 ppm1      8.380 ppm2      3.682 CV     1
 ASSI {   21}
   (( segid "PAH " and resid 301  and name HB1 ))
   (( segid "PAH " and resid 302  and name HN  ))
      4.000     2.000     2.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.50939E-03 ppm1      8.380 ppm2      2.377 CV     1
 ASSI {   23}
   (  segid "PAH " and resid 302  and name HG1%)
   (( segid "PAH " and resid 302  and name HN  ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.39590E-02 ppm1      8.380 ppm2      0.995 CV     1
 ASSI {   24}
   (  segid "PAH " and resid 302  and name HG2%)
   (( segid "PAH " and resid 302  and name HN  ))
      2.900     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.18502E-02 ppm1      8.382 ppm2      0.906 CV     1
 ASSI {   28}
   (( segid "PAH " and resid 303  and name HA  ))
   (( segid "PAH " and resid 303  and name HN  ))
      3.000     1.100     1.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.17103E-02 ppm1      8.836 ppm2      4.202 CV     1
 ASSI {   29}
   (( segid "PAH " and resid 302  and name HA  ))
   (( segid "PAH " and resid 303  and name HN  ))
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.21379E-02 ppm1      8.840 ppm2      3.864 CV     1
 ASSI {   30}
   (( segid "PAH " and resid 303  and name HG1 ))
   (( segid "PAH " and resid 303  and name HN  ))
      3.400     1.500     1.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.71262E-03 ppm1      8.844 ppm2      2.410 CV     1
 ASSI {   31}
   (( segid "PAH " and resid 303  and name HG2 ))
   (( segid "PAH " and resid 303  and name HN  ))
      3.600     1.600     1.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      8.843 ppm2      2.303 CV     1
 ASSI {   34}
   (  segid "PAH " and resid 302  and name HG1%)
   (( segid "PAH " and resid 303  and name HN  ))
      3.900     1.900     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      8.843 ppm2      0.994 CV     1
 ASSI {   35}
   (  segid "PAH " and resid 302  and name HG2%)
   (( segid "PAH " and resid 303  and name HN  ))
      4.100     2.100     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.79705E-03 ppm1      8.843 ppm2      0.903 CV     1
 ASSI {   36}
   (( segid "PAH " and resid 303  and name HN  ))
   (( segid "PAH " and resid 304  and name HN  ))
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      8.538 ppm2      8.842 CV     1
 ASSI {   37}
   (( segid "PAH " and resid 305  and name HN  ))
   (( segid "PAH " and resid 304  and name HN  ))
      2.900     1.100     1.100 peak    37 spectrum    1 weight  0.10000E+01 volume  0.18897E-02 ppm1      8.534 ppm2      8.221 CV     1
 ASSI {   38}
   (( segid "PAH " and resid 304  and name HA  ))
   (( segid "PAH " and resid 304  and name HN  ))
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.14120E-02 ppm1      8.536 ppm2      4.471 CV     1
 ASSI {   39}
   (( segid "PAH " and resid 303  and name HA  ))
   (( segid "PAH " and resid 304  and name HN  ))
      3.200     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      8.534 ppm2      4.206 CV     1
 ASSI {   40}
   (( segid "PAH " and resid 304  and name HB1 ))
   (( segid "PAH " and resid 304  and name HN  ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.30352E-02 ppm1      8.532 ppm2      3.218 CV     1
 ASSI {   41}
   (( segid "PAH " and resid 304  and name HB2 ))
   (( segid "PAH " and resid 304  and name HN  ))
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.25021E-02 ppm1      8.534 ppm2      3.016 CV     1
 ASSI {   42}
   (  segid "SID " and resid 11   and name HE% )
   (( segid "PAH " and resid 304  and name HN  ))
      3.600     1.600     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.70734E-03 ppm1      8.536 ppm2      2.221 CV     1
 ASSI {   43}
   (( segid "PAH " and resid 303  and name HB2 ))
   (( segid "PAH " and resid 304  and name HN  ))
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.14965E-02 ppm1      8.534 ppm2      2.072 CV     1
 OR {   43}
   (( segid "PAH " and resid 303  and name HB1 ))
   (( segid "PAH " and resid 304  and name HN  ))
 ASSI {   45}
   (( segid "PAH " and resid 306  and name HN  ))
   (( segid "PAH " and resid 305  and name HN  ))
      3.500     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.55162E-03 ppm1      8.229 ppm2      8.041 CV     1
 ASSI {   46}
   (  segid "PAH " and resid 304  and name HD% )
   (( segid "PAH " and resid 304  and name HN  ))
      4.600     2.600     1.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.44604E-03 ppm1      8.536 ppm2      7.162 CV     1
 ASSI {   47}
   (  segid "PAH " and resid 304  and name HD% )
   (( segid "PAH " and resid 305  and name HN  ))
      4.300     2.400     1.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.31144E-03 ppm1      8.225 ppm2      7.158 CV     1
 ASSI {   48}
   (( segid "PAH " and resid 304  and name HA  ))
   (( segid "PAH " and resid 305  and name HN  ))
      3.500     1.600     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.78651E-03 ppm1      8.228 ppm2      4.482 CV     1
 ASSI {   49}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 305  and name HN  ))
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.18185E-02 ppm1      8.225 ppm2      4.331 CV     1
 ASSI {   50}
   (( segid "PAH " and resid 302  and name HA  ))
   (( segid "PAH " and resid 305  and name HN  ))
      4.000     2.000     2.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.30352E-03 ppm1      8.221 ppm2      3.861 CV     1
 ASSI {   51}
   (( segid "PAH " and resid 304  and name HB1 ))
   (( segid "PAH " and resid 305  and name HN  ))
      3.400     1.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.54370E-03 ppm1      8.229 ppm2      3.218 CV     1
 ASSI {   52}
   (( segid "PAH " and resid 304  and name HB2 ))
   (( segid "PAH " and resid 305  and name HN  ))
      3.900     1.900     1.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      8.227 ppm2      3.022 CV     1
 ASSI {   53}
   (( segid "PAH " and resid 305  and name HB1 ))
   (( segid "PAH " and resid 305  and name HN  ))
      2.800     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.35895E-02 ppm1      8.227 ppm2      2.900 CV     1
 ASSI {   54}
   (( segid "PAH " and resid 305  and name HB2 ))
   (( segid "PAH " and resid 305  and name HN  ))
      2.900     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18607E-02 ppm1      8.226 ppm2      2.791 CV     1
 ASSI {   57}
   (( segid "PAH " and resid 306  and name HA  ))
   (( segid "PAH " and resid 306  and name HN  ))
      3.600     1.600     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.60705E-03 ppm1      8.052 ppm2      4.610 CV     1
 ASSI {   58}
   (( segid "PAH " and resid 306  and name HB1 ))
   (( segid "PAH " and resid 306  and name HN  ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.17288E-02 ppm1      8.052 ppm2      3.521 CV     1
 ASSI {   59}
   (( segid "PAH " and resid 306  and name HB2 ))
   (( segid "PAH " and resid 306  and name HN  ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.18740E-02 ppm1      8.052 ppm2      3.441 CV     1
 ASSI {   60}
   (( segid "PAH " and resid 305  and name HB2 ))
   (( segid "PAH " and resid 306  and name HN  ))
      4.100     2.100     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.35631E-03 ppm1      8.049 ppm2      2.779 CV     1
 ASSI {   61}
   (( segid "PAH " and resid 305  and name HB1 ))
   (( segid "PAH " and resid 306  and name HN  ))
      3.400     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.76279E-03 ppm1      8.051 ppm2      2.897 CV     1
 ASSI {   62}
   (( segid "PAH " and resid 308  and name HN  ))
   (( segid "PAH " and resid 307  and name HN  ))
      2.900     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      8.209 ppm2      8.310 CV     1
 ASSI {   63}
   (( segid "PAH " and resid 306  and name HN  ))
   (( segid "PAH " and resid 307  and name HN  ))
      3.100     1.200     1.200 peak    63 spectrum    1 weight  0.10000E+01 volume  0.12167E-02 ppm1      8.205 ppm2      8.048 CV     1
 ASSI {   64}
   (( segid "PAH " and resid 306  and name HA  ))
   (( segid "PAH " and resid 307  and name HN  ))
      3.600     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.65455E-03 ppm1      8.203 ppm2      4.609 CV     1
 ASSI {   65}
   (( segid "PAH " and resid 304  and name HA  ))
   (( segid "PAH " and resid 307  and name HN  ))
      3.500     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.69678E-03 ppm1      8.205 ppm2      4.472 CV     1
 ASSI {   66}
   (( segid "PAH " and resid 307  and name HA  ))
   (( segid "PAH " and resid 307  and name HN  ))
      2.900     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1      8.211 ppm2      4.154 CV     1
 ASSI {   67}
   (( segid "PAH " and resid 306  and name HB1 ))
   (( segid "PAH " and resid 307  and name HN  ))
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      8.210 ppm2      3.540 CV     1
 ASSI {   68}
   (( segid "PAH " and resid 306  and name HB2 ))
   (( segid "PAH " and resid 307  and name HN  ))
      3.300     1.400     1.400 peak    68 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      8.207 ppm2      3.442 CV     1
 ASSI {   69}
   (  segid "PAH " and resid 307  and name HB% )
   (( segid "PAH " and resid 307  and name HN  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.57273E-02 ppm1      8.207 ppm2      1.478 CV     1
 ASSI {   71}
   (( segid "PAH " and resid 298  and name HA  ))
   (( segid "PAH " and resid 299  and name HN  ))
      3.800     1.900     1.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.41174E-03 ppm1      8.278 ppm2      4.621 CV     1
 ASSI {   72}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 308  and name HN  ))
      3.200     1.300     1.300 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12431E-02 ppm1      8.276 ppm2      4.336 CV     1
 ASSI {   73}
   (( segid "PAH " and resid 307  and name HA  ))
   (( segid "PAH " and resid 308  and name HN  ))
      3.700     1.700     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.58857E-03 ppm1      8.272 ppm2      4.144 CV     1
 ASSI {   74}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 308  and name HN  ))
      2.800     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      8.280 ppm2      3.472 CV     1
 ASSI {   75}
   (( segid "PAH " and resid 308  and name HB  ))
   (( segid "PAH " and resid 308  and name HN  ))
      2.400     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.50147E-02 ppm1      8.282 ppm2      1.793 CV     1
 ASSI {   76}
   (  segid "PAH " and resid 307  and name HB% )
   (( segid "PAH " and resid 308  and name HN  ))
      2.600     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.30616E-02 ppm1      8.282 ppm2      1.474 CV     1
 ASSI {   77}
   (  segid "SID " and resid 15   and name HB% )
   (( segid "PAH " and resid 308  and name HN  ))
      3.400     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10848E-02 ppm1      8.282 ppm2      1.285 CV     1
 ASSI {   78}
   (( segid "PAH " and resid 308  and name HG11))
   (( segid "PAH " and resid 308  and name HN  ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.36423E-02 ppm1      8.282 ppm2      1.182 CV     1
 ASSI {   79}
   (  segid "PAH " and resid 308  and name HG2%)
   (( segid "PAH " and resid 308  and name HN  ))
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.92901E-03 ppm1      8.280 ppm2      0.886 CV     1
 ASSI {   80}
   (( segid "PAH " and resid 308  and name HG12))
   (( segid "PAH " and resid 308  and name HN  ))
      3.700     1.700     1.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.17234E-02 ppm1      8.280 ppm2      0.650 CV     1
 ASSI {   81}
   (  segid "PAH " and resid 308  and name HD1%)
   (( segid "PAH " and resid 308  and name HN  ))
      4.000     2.000     2.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      8.280 ppm2      0.491 CV     1
 ASSI {   83}
   (( segid "PAH " and resid 310  and name HN  ))
   (( segid "PAH " and resid 309  and name HN  ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.27713E-02 ppm1      8.042 ppm2      8.355 CV     1
 ASSI {   84}
   (( segid "PAH " and resid 298  and name HA  ))
   (( segid "PAH " and resid 298  and name HN  ))
      3.200     1.300     1.300 peak    84 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      8.041 ppm2      4.620 CV     1
 ASSI {   85}
   (( segid "PAH " and resid 309  and name HA  ))
   (( segid "PAH " and resid 309  and name HN  ))
      2.700     0.900     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.32727E-02 ppm1      8.041 ppm2      4.430 CV     1
 ASSI {   86}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 309  and name HN  ))
      3.800     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.52523E-03 ppm1      8.040 ppm2      4.332 CV     1
 ASSI {   87}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 309  and name HN  ))
      3.500     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.74693E-03 ppm1      8.037 ppm2      3.474 CV     1
 ASSI {   88}
   (( segid "PAH " and resid 309  and name HB1 ))
   (( segid "PAH " and resid 309  and name HN  ))
      2.600     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.47244E-02 ppm1      8.042 ppm2      3.011 CV     1
 ASSI {   89}
   (( segid "PAH " and resid 309  and name HB2 ))
   (( segid "PAH " and resid 309  and name HN  ))
      2.700     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.25681E-02 ppm1      8.040 ppm2      2.871 CV     1
 ASSI {   90}
   (( segid "PAH " and resid 308  and name HB  ))
   (( segid "PAH " and resid 309  and name HN  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.36950E-02 ppm1      8.042 ppm2      1.791 CV     1
 ASSI {   91}
   (  segid "PAH " and resid 308  and name HG2%)
   (( segid "PAH " and resid 309  and name HN  ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.15836E-02 ppm1      8.042 ppm2      0.893 CV     1
 ASSI {   92}
   (( segid "PAH " and resid 311  and name HN  ))
   (( segid "PAH " and resid 310  and name HN  ))
      2.900     1.000     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.18871E-02 ppm1      8.352 ppm2      8.519 CV     1
 ASSI {   94}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 310  and name HN  ))
      4.400     2.400     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.56745E-03 ppm1      8.355 ppm2      6.954 CV     1
 ASSI {   96}
   (( segid "PAH " and resid 307  and name HA  ))
   (( segid "PAH " and resid 310  and name HN  ))
      3.400     1.400     1.400 peak    96 spectrum    1 weight  0.10000E+01 volume  0.84194E-03 ppm1      8.352 ppm2      4.150 CV     1
 ASSI {   97}
   (( segid "PAH " and resid 310  and name HB1 ))
   (( segid "PAH " and resid 310  and name HN  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.38271E-02 ppm1      8.355 ppm2      3.365 CV     1
 ASSI {   98}
   (( segid "PAH " and resid 309  and name HB1 ))
   (( segid "PAH " and resid 310  and name HN  ))
      3.000     1.100     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.13856E-02 ppm1      8.355 ppm2      3.016 CV     1
 ASSI {  101}
   (( segid "PAH " and resid 309  and name HN  ))
   (( segid "PAH " and resid 311  and name HN  ))
      3.900     1.900     1.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.49883E-03 ppm1      8.527 ppm2      8.023 CV     1
 ASSI {  102}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 311  and name HN  ))
      3.700     1.700     1.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      8.520 ppm2      6.954 CV     1
 ASSI {  103}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 311  and name HN  ))
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.94749E-03 ppm1      8.523 ppm2      4.436 CV     1
 ASSI {  105}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 311  and name HN  ))
      3.200     1.300     1.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.98182E-03 ppm1      8.523 ppm2      3.479 CV     1
 ASSI {  107}
   (( segid "PAH " and resid 310  and name HB2 ))
   (( segid "PAH " and resid 311  and name HN  ))
      3.500     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      8.520 ppm2      2.912 CV     1
 ASSI {  108}
   (( segid "PAH " and resid 311  and name HB  ))
   (( segid "PAH " and resid 311  and name HN  ))
      2.500     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.44868E-02 ppm1      8.523 ppm2      2.086 CV     1
 ASSI {  109}
   (  segid "PAH " and resid 311  and name HG1%)
   (( segid "PAH " and resid 311  and name HN  ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.54370E-02 ppm1      8.523 ppm2      1.215 CV     1
 ASSI {  110}
   (  segid "PAH " and resid 311  and name HG2%)
   (( segid "PAH " and resid 311  and name HN  ))
      2.900     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.15625E-02 ppm1      8.523 ppm2      1.133 CV     1
 ASSI {  111}
   (( segid "PAH " and resid 313  and name HN  ))
   (( segid "PAH " and resid 312  and name HN  ))
      2.700     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.23939E-02 ppm1      8.480 ppm2      7.806 CV     1
 ASSI {  113}
   (( segid "PAH " and resid 312  and name HA  ))
   (( segid "PAH " and resid 312  and name HN  ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.24282E-02 ppm1      8.473 ppm2      4.354 CV     1
 ASSI {  114}
   (( segid "PAH " and resid 308  and name HA  ))
   (( segid "PAH " and resid 312  and name HN  ))
      4.300     2.300     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.19901E-03 ppm1      8.482 ppm2      3.470 CV     1
 ASSI {  116}
   (( segid "PAH " and resid 312  and name HB1 ))
   (( segid "PAH " and resid 312  and name HN  ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.57273E-02 ppm1      8.479 ppm2      2.854 CV     1
 ASSI {  117}
   (( segid "PAH " and resid 312  and name HB2 ))
   (( segid "PAH " and resid 312  and name HN  ))
      2.700     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.28769E-02 ppm1      8.479 ppm2      2.703 CV     1
 ASSI {  118}
   (( segid "PAH " and resid 311  and name HB  ))
   (( segid "PAH " and resid 312  and name HN  ))
      2.700     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.23279E-02 ppm1      8.476 ppm2      2.077 CV     1
 ASSI {  119}
   (  segid "PAH " and resid 311  and name HG1%)
   (( segid "PAH " and resid 312  and name HN  ))
      3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.60705E-03 ppm1      8.479 ppm2      1.218 CV     1
 ASSI {  120}
   (  segid "PAH " and resid 311  and name HG2%)
   (( segid "PAH " and resid 312  and name HN  ))
      3.900     1.900     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.94749E-03 ppm1      8.478 ppm2      1.145 CV     1
 ASSI {  126}
   (( segid "PAH " and resid 312  and name HB1 ))
   (( segid "PAH " and resid 313  and name HN  ))
      2.900     1.100     1.100 peak   126 spectrum    1 weight  0.10000E+01 volume  0.15255E-02 ppm1      7.812 ppm2      2.856 CV     1
 ASSI {  127}
   (( segid "PAH " and resid 312  and name HB2 ))
   (( segid "PAH " and resid 313  and name HN  ))
      3.500     1.500     1.500 peak   127 spectrum    1 weight  0.10000E+01 volume  0.18370E-02 ppm1      7.811 ppm2      2.712 CV     1
 ASSI {  129}
   (( segid "PAH " and resid 313  and name HB2 ))
   (( segid "PAH " and resid 313  and name HN  ))
      2.200     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.10848E-01 ppm1      7.811 ppm2      1.960 CV     1
 OR {  129}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  131}
   (( segid "PAH " and resid 315  and name HN  ))
   (( segid "PAH " and resid 314  and name HN  ))
      2.700     0.900     0.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.22408E-02 ppm1      7.708 ppm2      8.351 CV     1
 ASSI {  132}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 314  and name HN  ))
      3.700     1.700     1.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.50939E-03 ppm1      7.711 ppm2      3.942 CV     1
 ASSI {  134}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 314  and name HN  ))
      2.900     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.18132E-02 ppm1      7.708 ppm2      3.143 CV     1
 ASSI {  135}
   (( segid "PAH " and resid 314  and name HB  ))
   (( segid "PAH " and resid 314  and name HN  ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.58857E-02 ppm1      7.705 ppm2      1.832 CV     1
 ASSI {  137}
   (( segid "PAH " and resid 314  and name HG11))
   (( segid "PAH " and resid 314  and name HN  ))
      2.200     0.600     0.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.48564E-02 ppm1      7.708 ppm2      1.115 CV     1
 ASSI {  138}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 314  and name HN  ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11112E-02 ppm1      7.710 ppm2      0.766 CV     1
 ASSI {  139}
   (( segid "PAH " and resid 314  and name HG12))
   (( segid "PAH " and resid 314  and name HN  ))
      3.600     1.600     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.21458E-02 ppm1      7.708 ppm2      0.326 CV     1
 ASSI {  140}
   (  segid "PAH " and resid 314  and name HD1%)
   (( segid "PAH " and resid 314  and name HN  ))
      4.200     2.200     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.76541E-03 ppm1      7.708 ppm2      0.050 CV     1
 ASSI {  142}
   (( segid "PAH " and resid 316  and name HN  ))
   (( segid "PAH " and resid 315  and name HN  ))
      2.700     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.30352E-02 ppm1      8.347 ppm2      8.105 CV     1
 ASSI {  145}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 315  and name HN  ))
      3.600     1.700     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.58857E-03 ppm1      8.344 ppm2      6.750 CV     1
 ASSI {  146}
   (( segid "PAH " and resid 312  and name HA  ))
   (( segid "PAH " and resid 315  and name HN  ))
      3.200     1.300     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13117E-02 ppm1      8.349 ppm2      4.350 CV     1
 ASSI {  148}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 315  and name HN  ))
      4.100     2.100     1.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30088E-03 ppm1      8.344 ppm2      3.389 CV     1
 ASSI {  150}
   (( segid "PAH " and resid 314  and name HB  ))
   (( segid "PAH " and resid 315  and name HN  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.37742E-02 ppm1      8.346 ppm2      1.832 CV     1
 ASSI {  151}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HN  ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.28769E-02 ppm1      8.346 ppm2      1.601 CV     1
 ASSI {  152}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 315  and name HN  ))
      2.500     0.800     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.39853E-02 ppm1      8.346 ppm2      1.342 CV     1
 ASSI {  153}
   (( segid "PAH " and resid 315  and name HD2 ))
   (( segid "PAH " and resid 315  and name HN  ))
      4.300     2.300     1.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.68358E-03 ppm1      8.352 ppm2      1.433 CV     1
 OR {  153}
   (( segid "PAH " and resid 315  and name HD1 ))
   (( segid "PAH " and resid 315  and name HN  ))
 ASSI {  154}
   (( segid "PAH " and resid 314  and name HG11))
   (( segid "PAH " and resid 315  and name HN  ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.77596E-03 ppm1      8.348 ppm2      1.133 CV     1
 ASSI {  155}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 315  and name HN  ))
      3.500     1.500     1.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10293E-02 ppm1      8.347 ppm2      0.771 CV     1
 ASSI {  156}
   (( segid "PAH " and resid 315  and name HG1 ))
   (( segid "PAH " and resid 315  and name HN  ))
      4.000     2.000     2.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.94225E-03 ppm1      8.347 ppm2      0.687 CV     1
 OR {  156}
   (( segid "PAH " and resid 315  and name HG2 ))
   (( segid "PAH " and resid 315  and name HN  ))
 ASSI {  158}
   (  segid "PAH " and resid 314  and name HD1%)
   (( segid "PAH " and resid 315  and name HN  ))
      5.300     3.500     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.18027E-03 ppm1      8.356 ppm2      0.051 CV     1
 ASSI {  162}
   (( segid "PAH " and resid 318  and name HN  ))
   (( segid "PAH " and resid 316  and name HN  ))
      4.500     2.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.17974E-03 ppm1      8.098 ppm2      7.323 CV     1
 ASSI {  163}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 316  and name HN  ))
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.34047E-02 ppm1      8.099 ppm2      4.350 CV     1
 ASSI {  164}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 316  and name HN  ))
      3.300     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      8.099 ppm2      3.946 CV     1
 ASSI {  166}
   (( segid "PAH " and resid 316  and name HB1 ))
   (( segid "PAH " and resid 316  and name HN  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.64135E-02 ppm1      8.099 ppm2      2.753 CV     1
 ASSI {  167}
   (( segid "PAH " and resid 316  and name HB2 ))
   (( segid "PAH " and resid 316  and name HN  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.31144E-02 ppm1      8.099 ppm2      2.617 CV     1
 ASSI {  168}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 316  and name HN  ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      8.102 ppm2      1.601 CV     1
 ASSI {  169}
   (( segid "PAH " and resid 315  and name HB2 ))
   (( segid "PAH " and resid 316  and name HN  ))
      3.800     1.800     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      8.102 ppm2      1.337 CV     1
 ASSI {  170}
   (( segid "PAH " and resid 315  and name HG2 ))
   (( segid "PAH " and resid 316  and name HN  ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.54106E-03 ppm1      8.094 ppm2      0.687 CV     1
 OR {  170}
   (( segid "PAH " and resid 315  and name HG1 ))
   (( segid "PAH " and resid 316  and name HN  ))
 ASSI {  172}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 317  and name HN  ))
      4.000     2.000     2.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.35895E-03 ppm1      8.130 ppm2      4.339 CV     1
 ASSI {  173}
   (( segid "PAH " and resid 317  and name HA  ))
   (( segid "PAH " and resid 317  and name HN  ))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.24256E-02 ppm1      8.127 ppm2      3.833 CV     1
 ASSI {  175}
   (( segid "PAH " and resid 316  and name HB1 ))
   (( segid "PAH " and resid 317  and name HN  ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.13909E-02 ppm1      8.127 ppm2      2.748 CV     1
 ASSI {  176}
   (( segid "PAH " and resid 316  and name HB2 ))
   (( segid "PAH " and resid 317  and name HN  ))
      3.600     1.700     1.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.12854E-02 ppm1      8.128 ppm2      2.616 CV     1
 ASSI {  177}
   (( segid "PAH " and resid 317  and name HB1 ))
   (( segid "PAH " and resid 317  and name HN  ))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      8.128 ppm2      1.638 CV     1
 ASSI {  178}
   (( segid "PAH " and resid 317  and name HB2 ))
   (( segid "PAH " and resid 317  and name HN  ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.35367E-02 ppm1      8.127 ppm2      1.163 CV     1
 ASSI {  179}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 317  and name HN  ))
      4.000     2.000     2.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.32992E-03 ppm1      8.122 ppm2      0.507 CV     1
 ASSI {  180}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HN  ))
      4.100     2.100     1.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.52523E-03 ppm1      8.124 ppm2      0.952 CV     1
 ASSI {  181}
   (( segid "PAH " and resid 317  and name HN  ))
   (( segid "PAH " and resid 318  and name HN  ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      7.323 ppm2      8.124 CV     1
 ASSI {  184}
   (( segid "PAH " and resid 318  and name HA  ))
   (( segid "PAH " and resid 318  and name HN  ))
      2.900     1.100     1.100 peak   184 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      7.325 ppm2      4.894 CV     1
 ASSI {  185}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.800     1.800     1.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.53578E-03 ppm1      7.328 ppm2      4.345 CV     1
 ASSI {  186}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      7.325 ppm2      3.892 CV     1
 ASSI {  187}
   (( segid "PAH " and resid 317  and name HA  ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.100     1.200     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.16496E-02 ppm1      7.325 ppm2      3.823 CV     1
 ASSI {  189}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 318  and name HN  ))
      2.500     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.34575E-02 ppm1      7.325 ppm2      2.444 CV     1
 ASSI {  190}
   (( segid "PAH " and resid 317  and name HB1 ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      7.322 ppm2      1.637 CV     1
 ASSI {  191}
   (( segid "PAH " and resid 317  and name HB2 ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.18027E-02 ppm1      7.323 ppm2      1.156 CV     1
 ASSI {  192}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 318  and name HN  ))
      4.000     2.000     2.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43021E-03 ppm1      7.320 ppm2      0.757 CV     1
 ASSI {  193}
   (( segid "PAH " and resid 320  and name HN  ))
   (( segid "PAH " and resid 319  and name HN  ))
      3.100     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      7.221 ppm2      8.887 CV     1
 ASSI {  194}
   (( segid "PAH " and resid 318  and name HN  ))
   (( segid "PAH " and resid 319  and name HN  ))
      3.000     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17578E-02 ppm1      7.226 ppm2      7.335 CV     1
 ASSI {  195}
   (( segid "PAH " and resid 318  and name HA  ))
   (( segid "PAH " and resid 319  and name HN  ))
      2.900     1.000     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.21405E-02 ppm1      7.221 ppm2      4.890 CV     1
 ASSI {  196}
   (( segid "PAH " and resid 316  and name HA  ))
   (( segid "PAH " and resid 319  and name HN  ))
      3.400     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      7.221 ppm2      4.341 CV     1
 ASSI {  197}
   (( segid "PAH " and resid 319  and name HA  ))
   (( segid "PAH " and resid 319  and name HN  ))
      2.600     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.40910E-02 ppm1      7.224 ppm2      4.064 CV     1
 ASSI {  200}
   (( segid "PAH " and resid 319  and name HB1 ))
   (( segid "PAH " and resid 319  and name HN  ))
      2.400     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.52258E-02 ppm1      7.225 ppm2      2.257 CV     1
 ASSI {  201}
   (( segid "PAH " and resid 319  and name HB2 ))
   (( segid "PAH " and resid 319  and name HN  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.43285E-02 ppm1      7.224 ppm2      2.099 CV     1
 ASSI {  204}
   (( segid "PAH " and resid 319  and name HA  ))
   (( segid "PAH " and resid 320  and name HN  ))
      3.100     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.15097E-02 ppm1      8.893 ppm2      4.059 CV     1
 ASSI {  206}
   (( segid "PAH " and resid 320  and name HA2 ))
   (( segid "PAH " and resid 320  and name HN  ))
      2.900     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.33783E-02 ppm1      8.893 ppm2      3.846 CV     1
 ASSI {  210}
   (( segid "PAH " and resid 320  and name HN  ))
   (( segid "PAH " and resid 321  and name HN  ))
      2.700     0.900     0.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      7.773 ppm2      8.889 CV     1
 ASSI {  211}
   (  segid "PAH " and resid 318  and name HD% )
   (( segid "PAH " and resid 321  and name HN  ))
      4.400     2.400     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.25892E-03 ppm1      7.772 ppm2      7.291 CV     1
 OR {  211}
   (( segid "PAH " and resid 318  and name HN  ))
   (( segid "PAH " and resid 321  and name HN  ))
 ASSI {  212}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 321  and name HN  ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      7.775 ppm2      4.933 CV     1
 ASSI {  214}
   (( segid "PAH " and resid 322  and name HA  ))
   (( segid "PAH " and resid 321  and name HN  ))
      3.500     1.600     1.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.65192E-03 ppm1      7.775 ppm2      4.481 CV     1
 ASSI {  215}
   (( segid "PAH " and resid 320  and name HA1 ))
   (( segid "PAH " and resid 321  and name HN  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1      7.772 ppm2      4.205 CV     1
 ASSI {  216}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 376  and name HN  ))
      3.400     1.400     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.72582E-03 ppm1      7.763 ppm2      4.054 CV     1
 ASSI {  218}
   (( segid "PAH " and resid 322  and name HD2 ))
   (( segid "PAH " and resid 321  and name HN  ))
      3.400     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21062E-02 ppm1      7.775 ppm2      3.474 CV     1
 ASSI {  220}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 321  and name HN  ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.30352E-02 ppm1      7.772 ppm2      2.363 CV     1
 OR {  220}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 321  and name HN  ))
 ASSI {  221}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 321  and name HN  ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      7.772 ppm2      2.181 CV     1
 ASSI {  222}
   (( segid "PAH " and resid 324  and name HN  ))
   (( segid "PAH " and resid 323  and name HN  ))
      2.600     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.36159E-02 ppm1      9.044 ppm2      8.052 CV     1
 ASSI {  223}
   (( segid "PAH " and resid 326  and name HN  ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.500     1.600     1.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.62816E-03 ppm1      9.041 ppm2      7.938 CV     1
 ASSI {  224}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.300     1.400     1.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      9.038 ppm2      4.944 CV     1
 ASSI {  225}
   (( segid "PAH " and resid 322  and name HA  ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.200     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.10478E-02 ppm1      9.041 ppm2      4.485 CV     1
 ASSI {  226}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 323  and name HN  ))
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.40118E-02 ppm1      9.039 ppm2      4.394 CV     1
 ASSI {  227}
   (( segid "PAH " and resid 322  and name HD1 ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.600     1.600     1.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      9.038 ppm2      3.756 CV     1
 ASSI {  228}
   (( segid "PAH " and resid 322  and name HD2 ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.78913E-03 ppm1      9.039 ppm2      3.477 CV     1
 ASSI {  229}
   (( segid "PAH " and resid 323  and name HB1 ))
   (( segid "PAH " and resid 323  and name HN  ))
      2.900     1.000     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.25997E-02 ppm1      9.039 ppm2      2.716 CV     1
 ASSI {  230}
   (( segid "PAH " and resid 323  and name HB2 ))
   (( segid "PAH " and resid 323  and name HN  ))
      2.600     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.40910E-02 ppm1      9.038 ppm2      2.595 CV     1
 ASSI {  232}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.900     1.900     1.900 peak   232 spectrum    1 weight  0.10000E+01 volume  0.36423E-03 ppm1      9.038 ppm2      2.357 CV     1
 OR {  232}
   (( segid "PAH " and resid 321  and name HG2 ))
   (( segid "PAH " and resid 323  and name HN  ))
 ASSI {  233}
   (( segid "PAH " and resid 322  and name HB2 ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.20191E-02 ppm1      9.042 ppm2      2.155 CV     1
 OR {  233}
   (( segid "PAH " and resid 322  and name HG1 ))
   (( segid "PAH " and resid 323  and name HN  ))
 ASSI {  234}
   (( segid "PAH " and resid 322  and name HG2 ))
   (( segid "PAH " and resid 323  and name HN  ))
      2.700     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.27185E-02 ppm1      9.041 ppm2      2.072 CV     1
 ASSI {  235}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 323  and name HN  ))
      4.200     2.200     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.53842E-03 ppm1      9.041 ppm2      1.492 CV     1
 ASSI {  236}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 323  and name HN  ))
      4.500     2.600     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.29033E-03 ppm1      9.040 ppm2      1.172 CV     1
 ASSI {  239}
   (( segid "PAH " and resid 325  and name HN  ))
   (( segid "PAH " and resid 324  and name HN  ))
      2.600     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.35895E-02 ppm1      8.052 ppm2      6.990 CV     1
 ASSI {  240}
   (( segid "PAH " and resid 321  and name HA  ))
   (( segid "PAH " and resid 324  and name HN  ))
      5.300     3.500     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.89737E-04 ppm1      8.052 ppm2      4.942 CV     1
 ASSI {  241}
   (( segid "PAH " and resid 322  and name HA  ))
   (( segid "PAH " and resid 324  and name HN  ))
      3.600     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      8.053 ppm2      4.482 CV     1
 ASSI {  243}
   (( segid "PAH " and resid 324  and name HA  ))
   (( segid "PAH " and resid 324  and name HN  ))
      2.700     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      8.048 ppm2      3.694 CV     1
 ASSI {  244}
   (( segid "PAH " and resid 325  and name HB2 ))
   (( segid "PAH " and resid 324  and name HN  ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.67039E-03 ppm1      8.052 ppm2      3.107 CV     1
 ASSI {  245}
   (( segid "PAH " and resid 323  and name HB1 ))
   (( segid "PAH " and resid 324  and name HN  ))
      4.000     2.000     2.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.28241E-03 ppm1      8.055 ppm2      2.713 CV     1
 ASSI {  246}
   (( segid "PAH " and resid 323  and name HB2 ))
   (( segid "PAH " and resid 324  and name HN  ))
      3.500     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11085E-02 ppm1      8.053 ppm2      2.589 CV     1
 ASSI {  248}
   (( segid "PAH " and resid 321  and name HB1 ))
   (( segid "PAH " and resid 324  and name HN  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.15361E-02 ppm1      8.047 ppm2      2.358 CV     1
 ASSI {  251}
   (( segid "PAH " and resid 324  and name HB  ))
   (( segid "PAH " and resid 324  and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.59121E-02 ppm1      8.051 ppm2      1.593 CV     1
 ASSI {  252}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 324  and name HN  ))
      2.900     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.45397E-02 ppm1      8.049 ppm2      1.502 CV     1
 ASSI {  253}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 324  and name HN  ))
      2.500     2.500     3.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      8.052 ppm2      1.194 CV     1
 ASSI {  254}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 324  and name HN  ))
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.72318E-03 ppm1      8.048 ppm2      0.767 CV     1
 ASSI {  255}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 324  and name HN  ))
      3.900     1.900     1.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      8.052 ppm2     -0.014 CV     1
 ASSI {  257}
   (( segid "PAH " and resid 326  and name HN  ))
   (( segid "PAH " and resid 325  and name HN  ))
      2.600     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.39062E-02 ppm1      6.986 ppm2      7.934 CV     1
 ASSI {  258}
   (( segid "PAH " and resid 322  and name HA  ))
   (( segid "PAH " and resid 325  and name HN  ))
      3.200     1.300     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.10742E-02 ppm1      6.989 ppm2      4.472 CV     1
 ASSI {  259}
   (( segid "PAH " and resid 325  and name HA  ))
   (( segid "PAH " and resid 325  and name HN  ))
      2.900     1.000     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.21194E-02 ppm1      6.986 ppm2      4.165 CV     1
 ASSI {  260}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 325  and name HN  ))
      3.500     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.73900E-03 ppm1      6.987 ppm2      3.854 CV     1
 ASSI {  261}
   (( segid "PAH " and resid 324  and name HA  ))
   (( segid "PAH " and resid 325  and name HN  ))
      3.400     1.400     1.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      6.986 ppm2      3.692 CV     1
 ASSI {  262}
   (( segid "PAH " and resid 325  and name HB1 ))
   (( segid "PAH " and resid 325  and name HN  ))
      2.300     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.76803E-02 ppm1      6.987 ppm2      3.123 CV     1
 OR {  262}
   (( segid "PAH " and resid 325  and name HB2 ))
   (( segid "PAH " and resid 325  and name HN  ))
 ASSI {  265}
   (( segid "PAH " and resid 326  and name HB1 ))
   (( segid "PAH " and resid 325  and name HN  ))
      3.900     1.900     1.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.76279E-03 ppm1      6.981 ppm2      1.878 CV     1
 OR {  265}
   (( segid "PAH " and resid 326  and name HB2 ))
   (( segid "PAH " and resid 325  and name HN  ))
 ASSI {  266}
   (( segid "PAH " and resid 324  and name HB  ))
   (( segid "PAH " and resid 325  and name HN  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      6.985 ppm2      1.588 CV     1
 ASSI {  267}
   (( segid "PAH " and resid 324  and name HG12))
   (( segid "PAH " and resid 325  and name HN  ))
      4.200     2.200     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.54106E-03 ppm1      6.982 ppm2      1.193 CV     1
 ASSI {  269}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 325  and name HN  ))
      3.800     1.800     1.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.73108E-03 ppm1      6.989 ppm2     -0.014 CV     1
 ASSI {  272}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 326  and name HN  ))
      3.200     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      7.937 ppm2      4.396 CV     1
 ASSI {  273}
   (( segid "PAH " and resid 325  and name HA  ))
   (( segid "PAH " and resid 326  and name HN  ))
      3.600     1.600     1.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.71262E-03 ppm1      7.930 ppm2      4.162 CV     1
 ASSI {  274}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 326  and name HN  ))
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      7.939 ppm2      3.735 CV     1
 ASSI {  275}
   (( segid "PAH " and resid 325  and name HB2 ))
   (( segid "PAH " and resid 326  and name HN  ))
      2.600     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.34047E-02 ppm1      7.937 ppm2      3.136 CV     1
 OR {  275}
   (( segid "PAH " and resid 325  and name HB1 ))
   (( segid "PAH " and resid 326  and name HN  ))
 ASSI {  276}
   (( segid "PAH " and resid 326  and name HB1 ))
   (( segid "PAH " and resid 326  and name HN  ))
      2.300     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.76803E-02 ppm1      7.937 ppm2      1.872 CV     1
 OR {  276}
   (( segid "PAH " and resid 326  and name HB2 ))
   (( segid "PAH " and resid 326  and name HN  ))
 ASSI {  278}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 326  and name HN  ))
      4.100     2.100     1.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.65983E-03 ppm1      7.937 ppm2      1.508 CV     1
 ASSI {  279}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HN  ))
      3.500     1.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.85518E-03 ppm1      7.937 ppm2      1.428 CV     1
 ASSI {  280}
   (( segid "PAH " and resid 328  and name HN  ))
   (( segid "PAH " and resid 327  and name HN  ))
      2.800     1.000     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.24678E-02 ppm1      7.950 ppm2      8.119 CV     1
 ASSI {  281}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 327  and name HN  ))
      3.800     1.800     1.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.43549E-03 ppm1      7.945 ppm2      4.396 CV     1
 ASSI {  282}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 327  and name HN  ))
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.49883E-02 ppm1      7.953 ppm2      4.099 CV     1
 ASSI {  284}
   (( segid "PAH " and resid 326  and name HB2 ))
   (( segid "PAH " and resid 327  and name HN  ))
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.53051E-02 ppm1      7.952 ppm2      1.877 CV     1
 OR {  284}
   (( segid "PAH " and resid 326  and name HB1 ))
   (( segid "PAH " and resid 327  and name HN  ))
 ASSI {  285}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 327  and name HN  ))
      2.200     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.12115E-01 ppm1      7.952 ppm2      1.526 CV     1
 ASSI {  287}
   (( segid "PAH " and resid 329  and name HN  ))
   (( segid "PAH " and resid 328  and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22883E-02 ppm1      8.110 ppm2      7.730 CV     1
 ASSI {  288}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HN  ))
      4.100     2.100     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.89475E-03 ppm1      8.109 ppm2      6.815 CV     1
 ASSI {  290}
   (( segid "PAH " and resid 325  and name HA  ))
   (( segid "PAH " and resid 328  and name HN  ))
      3.400     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.92901E-03 ppm1      8.112 ppm2      4.179 CV     1
 ASSI {  294}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 328  and name HN  ))
      2.500     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.48827E-02 ppm1      8.109 ppm2      3.433 CV     1
 ASSI {  295}
   (( segid "PAH " and resid 328  and name HB2 ))
   (( segid "PAH " and resid 328  and name HN  ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      8.109 ppm2      2.994 CV     1
 ASSI {  296}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 328  and name HN  ))
      2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.33783E-02 ppm1      8.109 ppm2      1.525 CV     1
 ASSI {  298}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 329  and name HN  ))
      3.300     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.12932E-02 ppm1      7.722 ppm2      6.814 CV     1
 ASSI {  299}
   (( segid "PAH " and resid 325  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
      3.900     1.900     1.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.41965E-03 ppm1      7.726 ppm2      4.166 CV     1
 ASSI {  301}
   (( segid "PAH " and resid 328  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
      3.800     1.800     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.48564E-03 ppm1      7.726 ppm2      3.877 CV     1
 ASSI {  302}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.11217E-02 ppm1      7.726 ppm2      3.735 CV     1
 ASSI {  304}
   (( segid "PAH " and resid 328  and name HB2 ))
   (( segid "PAH " and resid 329  and name HN  ))
      3.900     1.900     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13434E-02 ppm1      7.725 ppm2      2.989 CV     1
 ASSI {  305}
   (( segid "PAH " and resid 330  and name HB2 ))
   (( segid "PAH " and resid 329  and name HN  ))
      4.300     2.300     1.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.43549E-03 ppm1      7.726 ppm2      2.107 CV     1
 OR {  305}
   (( segid "PAH " and resid 330  and name HB1 ))
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  306}
   (( segid "PAH " and resid 329  and name HB1 ))
   (( segid "PAH " and resid 329  and name HN  ))
      3.100     1.200     1.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.36950E-02 ppm1      7.723 ppm2      1.747 CV     1
 ASSI {  307}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 329  and name HN  ))
      2.300     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.54370E-02 ppm1      7.721 ppm2      1.339 CV     1
 ASSI {  308}
   (( segid "PAH " and resid 329  and name HB2 ))
   (( segid "PAH " and resid 329  and name HN  ))
      2.900     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.15150E-02 ppm1      7.721 ppm2      1.091 CV     1
 ASSI {  312}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 329  and name HN  ))
      3.300     1.400     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.21828E-02 ppm1      7.723 ppm2      0.611 CV     1
 OR {  312}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  313}
   (( segid "PAH " and resid 331  and name HN  ))
   (( segid "PAH " and resid 330  and name HN  ))
      2.600     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      8.134 ppm2      7.851 CV     1
 ASSI {  314}
   (( segid "PAH " and resid 329  and name HN  ))
   (( segid "PAH " and resid 330  and name HN  ))
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.22434E-02 ppm1      8.134 ppm2      7.724 CV     1
 ASSI {  319}
   (( segid "PAH " and resid 330  and name HB2 ))
   (( segid "PAH " and resid 330  and name HN  ))
      2.200     0.600     0.600 peak   319 spectrum    1 weight  0.10000E+01 volume  0.89737E-02 ppm1      8.132 ppm2      2.102 CV     1
 OR {  319}
   (( segid "PAH " and resid 330  and name HB1 ))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  321}
   (( segid "PAH " and resid 329  and name HG  ))
   (( segid "PAH " and resid 330  and name HN  ))
      5.100     3.200     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.19108E-03 ppm1      8.129 ppm2      1.324 CV     1
 ASSI {  322}
   (( segid "PAH " and resid 329  and name HB2 ))
   (( segid "PAH " and resid 330  and name HN  ))
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.97921E-03 ppm1      8.133 ppm2      1.083 CV     1
 ASSI {  323}
   (  segid "PAH " and resid 329  and name HD1%)
   (( segid "PAH " and resid 330  and name HN  ))
      4.300     2.300     1.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.62552E-03 ppm1      8.135 ppm2      0.613 CV     1
 OR {  323}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  327}
   (( segid "PAH " and resid 328  and name HA  ))
   (( segid "PAH " and resid 331  and name HN  ))
      3.700     1.800     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.44868E-03 ppm1      7.857 ppm2      3.877 CV     1
 ASSI {  328}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 331  and name HN  ))
      2.800     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.26393E-02 ppm1      7.854 ppm2      3.735 CV     1
 ASSI {  330}
   (( segid "PAH " and resid 330  and name HG1 ))
   (( segid "PAH " and resid 331  and name HN  ))
      4.100     2.100     1.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.39590E-03 ppm1      7.852 ppm2      2.290 CV     1
 OR {  330}
   (( segid "PAH " and resid 330  and name HG2 ))
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  331}
   (( segid "PAH " and resid 330  and name HB1 ))
   (( segid "PAH " and resid 331  and name HN  ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.31672E-02 ppm1      7.860 ppm2      2.094 CV     1
 OR {  331}
   (( segid "PAH " and resid 330  and name HB2 ))
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  332}
   (( segid "PAH " and resid 331  and name HG11))
   (( segid "PAH " and resid 331  and name HN  ))
      2.000     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.11112E-01 ppm1      7.857 ppm2      1.774 CV     1
 OR {  332}
   (( segid "PAH " and resid 331  and name HB  ))
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  333}
   (( segid "PAH " and resid 331  and name HG12))
   (( segid "PAH " and resid 331  and name HN  ))
      3.800     1.800     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.17367E-02 ppm1      7.857 ppm2      1.060 CV     1
 ASSI {  334}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 331  and name HN  ))
      3.500     1.500     1.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17736E-02 ppm1      7.857 ppm2      0.807 CV     1
 ASSI {  335}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 331  and name HN  ))
      3.600     1.600     1.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.18291E-02 ppm1      7.857 ppm2      0.729 CV     1
 ASSI {  337}
   (( segid "PAH " and resid 333  and name HN  ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.800     1.000     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.21379E-02 ppm1      7.227 ppm2      8.859 CV     1
 ASSI {  338}
   (( segid "PAH " and resid 331  and name HN  ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      7.224 ppm2      7.861 CV     1
 ASSI {  339}
   (( segid "PAH " and resid 332  and name HA  ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.800     1.000     1.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.21326E-02 ppm1      7.230 ppm2      3.838 CV     1
 ASSI {  340}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 332  and name HN  ))
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.46980E-03 ppm1      7.233 ppm2      3.736 CV     1
 ASSI {  341}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 332  and name HN  ))
      3.400     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.79182E-03 ppm1      7.227 ppm2      3.433 CV     1
 ASSI {  342}
   (( segid "PAH " and resid 331  and name HB  ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.41437E-02 ppm1      7.227 ppm2      1.787 CV     1
 ASSI {  343}
   (( segid "PAH " and resid 332  and name HB1 ))
   (( segid "PAH " and resid 332  and name HN  ))
      3.100     1.200     1.200 peak   343 spectrum    1 weight  0.10000E+01 volume  0.36159E-02 ppm1      7.227 ppm2      1.699 CV     1
 ASSI {  344}
   (( segid "PAH " and resid 332  and name HG  ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.53578E-02 ppm1      7.227 ppm2      1.383 CV     1
 ASSI {  345}
   (( segid "PAH " and resid 332  and name HB2 ))
   (( segid "PAH " and resid 332  and name HN  ))
      2.700     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18871E-02 ppm1      7.227 ppm2      1.148 CV     1
 ASSI {  346}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 332  and name HN  ))
      3.300     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.12748E-02 ppm1      7.227 ppm2      0.785 CV     1
 ASSI {  348}
   (  segid "PAH " and resid 332  and name HD2%)
   (( segid "PAH " and resid 332  and name HN  ))
      3.700     1.700     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.76010E-03 ppm1      7.224 ppm2      0.372 CV     1
 ASSI {  349}
   (( segid "PAH " and resid 334  and name HN  ))
   (( segid "PAH " and resid 333  and name HN  ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.21854E-02 ppm1      8.854 ppm2      8.607 CV     1
 ASSI {  351}
   (( segid "PAH " and resid 333  and name HD2 ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.63871E-03 ppm1      8.856 ppm2      7.137 CV     1
 ASSI {  352}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 333  and name HN  ))
      2.900     1.000     1.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.21246E-02 ppm1      8.855 ppm2      4.263 CV     1
 ASSI {  353}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.400     1.500     1.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10188E-02 ppm1      8.857 ppm2      4.111 CV     1
 ASSI {  354}
   (( segid "PAH " and resid 332  and name HA  ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.600     1.600     1.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.56481E-03 ppm1      8.854 ppm2      3.833 CV     1
 ASSI {  355}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.400     1.500     1.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.77334E-03 ppm1      8.858 ppm2      3.433 CV     1
 ASSI {  356}
   (( segid "PAH " and resid 333  and name HB1 ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.200     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.37742E-02 ppm1      8.856 ppm2      3.320 CV     1
 ASSI {  357}
   (( segid "PAH " and resid 333  and name HB2 ))
   (( segid "PAH " and resid 333  and name HN  ))
      2.400     0.700     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.42229E-02 ppm1      8.856 ppm2      3.232 CV     1
 ASSI {  358}
   (( segid "PAH " and resid 332  and name HB1 ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.200     1.300     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.23622E-02 ppm1      8.858 ppm2      1.699 CV     1
 ASSI {  359}
   (( segid "PAH " and resid 332  and name HG  ))
   (( segid "PAH " and resid 333  and name HN  ))
      4.300     2.300     1.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.44340E-03 ppm1      8.852 ppm2      1.388 CV     1
 ASSI {  360}
   (( segid "PAH " and resid 332  and name HB2 ))
   (( segid "PAH " and resid 333  and name HN  ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.12246E-02 ppm1      8.852 ppm2      1.144 CV     1
 ASSI {  363}
   (  segid "PAH " and resid 332  and name HD2%)
   (( segid "PAH " and resid 333  and name HN  ))
      4.300     2.300     1.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.45397E-03 ppm1      8.860 ppm2      0.372 CV     1
 ASSI {  365}
   (( segid "PAH " and resid 335  and name HN  ))
   (( segid "PAH " and resid 334  and name HN  ))
      2.800     1.000     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.23094E-02 ppm1      8.611 ppm2      8.262 CV     1
 ASSI {  366}
   (( segid "PAH " and resid 334  and name HB  ))
   (( segid "PAH " and resid 334  and name HN  ))
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.41701E-02 ppm1      8.610 ppm2      4.388 CV     1
 ASSI {  367}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 334  and name HN  ))
      3.900     1.900     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.39590E-03 ppm1      8.608 ppm2      4.255 CV     1
 ASSI {  369}
   (( segid "PAH " and resid 334  and name HA  ))
   (( segid "PAH " and resid 334  and name HN  ))
      2.800     1.000     1.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.26314E-02 ppm1      8.608 ppm2      3.925 CV     1
 ASSI {  370}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 334  and name HN  ))
      3.500     1.500     1.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.67039E-03 ppm1      8.611 ppm2      3.729 CV     1
 ASSI {  371}
   (( segid "PAH " and resid 333  and name HB1 ))
   (( segid "PAH " and resid 334  and name HN  ))
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.12854E-02 ppm1      8.609 ppm2      3.317 CV     1
 ASSI {  372}
   (( segid "PAH " and resid 333  and name HB2 ))
   (( segid "PAH " and resid 334  and name HN  ))
      2.900     1.100     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.18106E-02 ppm1      8.609 ppm2      3.229 CV     1
 ASSI {  373}
   (  segid "PAH " and resid 334  and name HG2%)
   (( segid "PAH " and resid 334  and name HN  ))
      4.000     2.000     2.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.79975E-03 ppm1      8.609 ppm2      1.284 CV     1
 ASSI {  375}
   (( segid "PAH " and resid 336  and name HN  ))
   (( segid "PAH " and resid 335  and name HN  ))
      2.700     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.25681E-02 ppm1      8.261 ppm2      8.416 CV     1
 ASSI {  376}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 335  and name HN  ))
      4.100     2.100     1.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.77858E-03 ppm1      8.264 ppm2      6.939 CV     1
 ASSI {  377}
   (( segid "PAH " and resid 334  and name HB  ))
   (( segid "PAH " and resid 335  and name HN  ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.22909E-02 ppm1      8.264 ppm2      4.392 CV     1
 ASSI {  378}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 335  and name HN  ))
      3.000     1.200     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.15308E-02 ppm1      8.261 ppm2      4.073 CV     1
 ASSI {  379}
   (( segid "PAH " and resid 334  and name HA  ))
   (( segid "PAH " and resid 335  and name HN  ))
      3.600     1.600     1.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.71525E-03 ppm1      8.264 ppm2      3.919 CV     1
 ASSI {  380}
   (( segid "PAH " and resid 332  and name HA  ))
   (( segid "PAH " and resid 335  and name HN  ))
      3.400     1.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.87358E-03 ppm1      8.264 ppm2      3.842 CV     1
 ASSI {  381}
   (( segid "PAH " and resid 331  and name HA  ))
   (( segid "PAH " and resid 335  and name HN  ))
      4.000     2.000     2.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.34575E-03 ppm1      8.260 ppm2      3.729 CV     1
 ASSI {  382}
   (( segid "PAH " and resid 335  and name HB1 ))
   (( segid "PAH " and resid 335  and name HN  ))
      2.500     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.42229E-02 ppm1      8.261 ppm2      3.234 CV     1
 ASSI {  383}
   (( segid "PAH " and resid 335  and name HB2 ))
   (( segid "PAH " and resid 335  and name HN  ))
      2.600     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      8.261 ppm2      2.981 CV     1
 ASSI {  384}
   (  segid "PAH " and resid 334  and name HG2%)
   (( segid "PAH " and resid 335  and name HN  ))
      3.800     1.800     1.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.70734E-03 ppm1      8.261 ppm2      1.281 CV     1
 ASSI {  385}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 335  and name HN  ))
      2.900     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.12616E-02 ppm1      8.264 ppm2      0.922 CV     1
 OR {  385}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 335  and name HN  ))
 ASSI {  386}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 335  and name HN  ))
      3.600     1.600     1.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      8.263 ppm2      0.805 CV     1
 ASSI {  388}
   (( segid "PAH " and resid 337  and name HN  ))
   (( segid "PAH " and resid 336  and name HN  ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.22989E-02 ppm1      8.425 ppm2      8.150 CV     1
 ASSI {  389}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 336  and name HN  ))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      8.422 ppm2      6.947 CV     1
 ASSI {  390}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 336  and name HN  ))
      3.300     1.400     1.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.98182E-03 ppm1      8.425 ppm2      4.257 CV     1
 ASSI {  391}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 336  and name HN  ))
      4.200     2.200     1.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.25232E-03 ppm1      8.423 ppm2      4.072 CV     1
 ASSI {  392}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 336  and name HN  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.28769E-02 ppm1      8.424 ppm2      3.885 CV     1
 ASSI {  393}
   (( segid "PAH " and resid 335  and name HB1 ))
   (( segid "PAH " and resid 336  and name HN  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.24651E-02 ppm1      8.423 ppm2      3.229 CV     1
 ASSI {  394}
   (( segid "PAH " and resid 335  and name HB2 ))
   (( segid "PAH " and resid 336  and name HN  ))
      4.100     2.100     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.97389E-03 ppm1      8.421 ppm2      2.979 CV     1
 ASSI {  395}
   (( segid "PAH " and resid 336  and name HG1 ))
   (( segid "PAH " and resid 336  and name HN  ))
      4.000     2.000     2.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.82877E-03 ppm1      8.428 ppm2      2.415 CV     1
 ASSI {  396}
   (( segid "PAH " and resid 336  and name HG2 ))
   (( segid "PAH " and resid 336  and name HN  ))
      3.700     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      8.423 ppm2      2.316 CV     1
 ASSI {  397}
   (( segid "PAH " and resid 336  and name HB1 ))
   (( segid "PAH " and resid 336  and name HN  ))
      2.300     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.72318E-02 ppm1      8.420 ppm2      2.164 CV     1
 OR {  397}
   (( segid "PAH " and resid 336  and name HB2 ))
   (( segid "PAH " and resid 336  and name HN  ))
 ASSI {  399}
   (  segid "SID " and resid 9    and name HG2%)
   (( segid "PAH " and resid 336  and name HN  ))
      3.800     1.800     1.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.42493E-03 ppm1      8.428 ppm2      0.966 CV     1
 ASSI {  400}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 336  and name HN  ))
      3.800     1.800     1.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.53314E-03 ppm1      8.420 ppm2      0.634 CV     1
 ASSI {  402}
   (( segid "PAH " and resid 338  and name HN  ))
   (( segid "PAH " and resid 337  and name HN  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.46452E-02 ppm1      8.157 ppm2      8.044 CV     1
 ASSI {  404}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.18660E-02 ppm1      8.156 ppm2      3.877 CV     1
 ASSI {  405}
   (( segid "PAH " and resid 333  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
      4.100     2.100     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.28241E-03 ppm1      8.159 ppm2      4.280 CV     1
 ASSI {  407}
   (( segid "PAH " and resid 336  and name HG2 ))
   (( segid "PAH " and resid 337  and name HN  ))
      4.300     2.300     1.700 peak   407 spectrum    1 weight  0.10000E+01 volume  0.29824E-03 ppm1      8.157 ppm2      2.327 CV     1
 ASSI {  408}
   (( segid "PAH " and resid 336  and name HB2 ))
   (( segid "PAH " and resid 337  and name HN  ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.32727E-02 ppm1      8.156 ppm2      2.173 CV     1
 OR {  408}
   (( segid "PAH " and resid 336  and name HB1 ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  409}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 337  and name HN  ))
      2.200     0.600     0.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.90530E-02 ppm1      8.155 ppm2      1.965 CV     1
 OR {  409}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  410}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HN  ))
      5.000     3.100     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20032E-03 ppm1      8.154 ppm2      1.686 CV     1
 OR {  410}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  411}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HN  ))
      3.800     1.800     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.69678E-03 ppm1      8.159 ppm2      1.553 CV     1
 ASSI {  412}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 337  and name HN  ))
      4.600     2.600     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.27449E-03 ppm1      8.151 ppm2      1.415 CV     1
 ASSI {  414}
   (( segid "PAH " and resid 338  and name HG1 ))
   (( segid "PAH " and resid 338  and name HN  ))
      2.900     1.000     1.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      8.065 ppm2      2.484 CV     1
 ASSI {  421}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HN  ))
      2.700     0.900     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.30352E-02 ppm1      8.004 ppm2      4.050 CV     1
 ASSI {  422}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 340  and name HN  ))
      3.200     1.300     1.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      8.007 ppm2      3.953 CV     1
 ASSI {  424}
   (( segid "PAH " and resid 340  and name HD2 ))
   (( segid "PAH " and resid 340  and name HN  ))
      5.800     4.200     0.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.72318E-04 ppm1      7.995 ppm2      3.163 CV     1
 OR {  424}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 340  and name HN  ))
 ASSI {  425}
   (( segid "PAH " and resid 339  and name HB1 ))
   (( segid "PAH " and resid 340  and name HN  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.18343E-02 ppm1      8.004 ppm2      2.014 CV     1
 ASSI {  427}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HN  ))
      3.400     1.500     1.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.10531E-02 ppm1      8.001 ppm2      1.725 CV     1
 ASSI {  428}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 340  and name HN  ))
      4.300     2.400     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.37478E-03 ppm1      8.001 ppm2      1.588 CV     1
 ASSI {  429}
   (( segid "PAH " and resid 340  and name HN  ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.600     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.35895E-02 ppm1      8.292 ppm2      8.021 CV     1
 ASSI {  430}
   (( segid "PAH " and resid 342  and name HN  ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.400     0.700     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.51203E-02 ppm1      8.292 ppm2      7.954 CV     1
 ASSI {  431}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.32463E-02 ppm1      8.292 ppm2      4.316 CV     1
 ASSI {  432}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 341  and name HN  ))
      3.200     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13223E-02 ppm1      8.292 ppm2      4.156 CV     1
 ASSI {  433}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 341  and name HN  ))
      3.200     1.300     1.300 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14015E-02 ppm1      8.290 ppm2      4.047 CV     1
 ASSI {  435}
   (( segid "PAH " and resid 341  and name HB1 ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.700     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.54898E-02 ppm1      8.292 ppm2      2.719 CV     1
 ASSI {  436}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.700     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.24123E-02 ppm1      8.292 ppm2      2.400 CV     1
 ASSI {  437}
   (( segid "PAH " and resid 340  and name HB1 ))
   (( segid "PAH " and resid 341  and name HN  ))
      2.500     0.800     0.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.55426E-02 ppm1      8.292 ppm2      1.907 CV     1
 OR {  437}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 341  and name HN  ))
 ASSI {  438}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 341  and name HN  ))
      4.200     2.200     1.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.32992E-03 ppm1      8.298 ppm2      1.705 CV     1
 ASSI {  439}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 341  and name HN  ))
      3.700     1.700     1.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.70206E-03 ppm1      8.295 ppm2      1.589 CV     1
 ASSI {  442}
   (( segid "PAH " and resid 340  and name HD2 ))
   (( segid "PAH " and resid 341  and name HN  ))
      3.500     1.600     1.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.36950E-03 ppm1      8.292 ppm2      3.167 CV     1
 OR {  442}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 341  and name HN  ))
 ASSI {  443}
   (( segid "PAH " and resid 343  and name HN  ))
   (( segid "PAH " and resid 341  and name HN  ))
      5.000     3.200     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.10162E-03 ppm1      8.287 ppm2      7.778 CV     1
 ASSI {  445}
   (( segid "PAH " and resid 343  and name HN  ))
   (( segid "PAH " and resid 342  and name HN  ))
      2.600     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.38006E-02 ppm1      7.950 ppm2      7.765 CV     1
 ASSI {  446}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 342  and name HN  ))
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      7.945 ppm2      4.307 CV     1
 ASSI {  447}
   (( segid "PAH " and resid 342  and name HA  ))
   (( segid "PAH " and resid 342  and name HN  ))
      2.500     0.800     0.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.44868E-02 ppm1      7.945 ppm2      3.939 CV     1
 ASSI {  448}
   (( segid "PAH " and resid 341  and name HB1 ))
   (( segid "PAH " and resid 342  and name HN  ))
      2.700     0.900     0.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      7.948 ppm2      2.728 CV     1
 ASSI {  449}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 342  and name HN  ))
      3.100     1.200     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.18396E-02 ppm1      7.945 ppm2      2.395 CV     1
 ASSI {  450}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 342  and name HN  ))
      2.200     0.600     0.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.11982E-01 ppm1      7.951 ppm2      1.452 CV     1
 ASSI {  452}
   (( segid "PAH " and resid 344  and name HN  ))
   (( segid "PAH " and resid 343  and name HN  ))
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.37214E-02 ppm1      7.776 ppm2      8.039 CV     1
 ASSI {  454}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 343  and name HN  ))
      5.300     3.500     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.72582E-04 ppm1      7.771 ppm2      4.323 CV     1
 ASSI {  455}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HN  ))
      2.600     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.40382E-02 ppm1      7.772 ppm2      4.126 CV     1
 ASSI {  456}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 343  and name HN  ))
      2.900     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.20798E-02 ppm1      7.775 ppm2      4.048 CV     1
 ASSI {  457}
   (( segid "PAH " and resid 342  and name HA  ))
   (( segid "PAH " and resid 343  and name HN  ))
      3.200     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      7.772 ppm2      3.940 CV     1
 ASSI {  458}
   (( segid "PAH " and resid 343  and name HB1 ))
   (( segid "PAH " and resid 343  and name HN  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.10901E-01 ppm1      7.773 ppm2      1.926 CV     1
 OR {  458}
   (( segid "PAH " and resid 343  and name HB2 ))
   (( segid "PAH " and resid 343  and name HN  ))
 ASSI {  459}
   (( segid "PAH " and resid 343  and name HD1 ))
   (( segid "PAH " and resid 343  and name HN  ))
      4.000     2.000     2.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.49355E-03 ppm1      7.775 ppm2      1.679 CV     1
 OR {  459}
   (( segid "PAH " and resid 343  and name HD2 ))
   (( segid "PAH " and resid 343  and name HN  ))
 ASSI {  460}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HN  ))
      3.800     1.800     1.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.81553E-03 ppm1      7.774 ppm2      1.546 CV     1
 ASSI {  461}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 343  and name HN  ))
      2.500     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.55426E-02 ppm1      7.774 ppm2      1.461 CV     1
 ASSI {  468}
   (( segid "PAH " and resid 344  and name HB1 ))
   (( segid "PAH " and resid 344  and name HN  ))
      2.900     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.24308E-02 ppm1      8.039 ppm2      2.075 CV     1
 ASSI {  475}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 345  and name HN  ))
      2.300     0.600     0.600 peak   475 spectrum    1 weight  0.10000E+01 volume  0.86041E-02 ppm1      7.801 ppm2      1.436 CV     1
 ASSI {  476}
   (( segid "PAH " and resid 344  and name HB1 ))
   (( segid "PAH " and resid 345  and name HN  ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19320E-02 ppm1      7.810 ppm2      2.080 CV     1
 ASSI {  478}
   (( segid "PAH " and resid 345  and name HN  ))
   (( segid "PAH " and resid 346  and name HN  ))
      2.900     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.21721E-02 ppm1      8.033 ppm2      7.793 CV     1
 ASSI {  479}
   (( segid "PAH " and resid 345  and name HA  ))
   (( segid "PAH " and resid 346  and name HN  ))
      2.900     1.100     1.100 peak   479 spectrum    1 weight  0.10000E+01 volume  0.25285E-02 ppm1      8.032 ppm2      4.338 CV     1
 ASSI {  481}
   (( segid "PAH " and resid 346  and name HA1 ))
   (( segid "PAH " and resid 346  and name HN  ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.42757E-02 ppm1      8.033 ppm2      4.044 CV     1
 ASSI {  482}
   (( segid "PAH " and resid 346  and name HA2 ))
   (( segid "PAH " and resid 346  and name HN  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.69942E-02 ppm1      8.033 ppm2      3.926 CV     1
 ASSI {  483}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 346  and name HN  ))
      3.000     1.100     1.100 peak   483 spectrum    1 weight  0.10000E+01 volume  0.18633E-02 ppm1      8.032 ppm2      1.428 CV     1
 ASSI {  484}
   (( segid "PAH " and resid 346  and name HN  ))
   (( segid "PAH " and resid 347  and name HN  ))
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      8.254 ppm2      8.037 CV     1
 ASSI {  487}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 347  and name HN  ))
      3.400     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.88420E-03 ppm1      8.252 ppm2      1.437 CV     1
 ASSI {  491}
   (( segid "PAH " and resid 347  and name HA2 ))
   (( segid "PAH " and resid 348  and name HN  ))
      3.000     1.100     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      8.111 ppm2      3.892 CV     1
 ASSI {  492}
   (( segid "PAH " and resid 348  and name HB1 ))
   (( segid "PAH " and resid 348  and name HN  ))
      3.100     1.200     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      8.101 ppm2      2.877 CV     1
 ASSI {  493}
   (( segid "PAH " and resid 348  and name HB2 ))
   (( segid "PAH " and resid 348  and name HN  ))
      2.800     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1      8.099 ppm2      2.754 CV     1
 ASSI {  495}
   (( segid "PAH " and resid 348  and name HN  ))
   (( segid "PAH " and resid 349  and name HN  ))
      3.300     1.400     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      7.923 ppm2      8.108 CV     1
 ASSI {  496}
   (  segid "PAH " and resid 349  and name HD% )
   (( segid "PAH " and resid 349  and name HN  ))
      3.900     1.900     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.84456E-03 ppm1      7.920 ppm2      6.923 CV     1
 ASSI {  497}
   (( segid "PAH " and resid 349  and name HA  ))
   (( segid "PAH " and resid 349  and name HN  ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.25812E-02 ppm1      7.918 ppm2      4.518 CV     1
 ASSI {  499}
   (( segid "PAH " and resid 349  and name HB1 ))
   (( segid "PAH " and resid 349  and name HN  ))
      2.600     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.35631E-02 ppm1      7.920 ppm2      2.954 CV     1
 ASSI {  502}
   (  segid "PAH " and resid 349  and name HD% )
   (( segid "PAH " and resid 350  and name HN  ))
      3.500     1.500     1.500 peak   502 spectrum    1 weight  0.10000E+01 volume  0.78127E-03 ppm1      7.993 ppm2      6.924 CV     1
 ASSI {  504}
   (( segid "PAH " and resid 350  and name HB  ))
   (( segid "PAH " and resid 350  and name HN  ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      7.994 ppm2      3.865 CV     1
 ASSI {  505}
   (( segid "PAH " and resid 349  and name HB1 ))
   (( segid "PAH " and resid 350  and name HN  ))
      3.500     1.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.74693E-03 ppm1      7.995 ppm2      2.947 CV     1
 ASSI {  506}
   (( segid "PAH " and resid 349  and name HB2 ))
   (( segid "PAH " and resid 350  and name HN  ))
      4.100     2.100     1.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.46452E-03 ppm1      7.992 ppm2      2.770 CV     1
 ASSI {  507}
   (  segid "PAH " and resid 350  and name HG2%)
   (( segid "PAH " and resid 350  and name HN  ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.57537E-03 ppm1      7.998 ppm2      1.126 CV     1
 ASSI {  509}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 352  and name HN  ))
      4.200     2.200     1.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.49619E-03 ppm1      8.875 ppm2      6.814 CV     1
 ASSI {  510}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 352  and name HN  ))
      2.200     0.600     0.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.10452E-01 ppm1      8.879 ppm2      4.378 CV     1
 ASSI {  511}
   (( segid "PAH " and resid 351  and name HB1 ))
   (( segid "PAH " and resid 352  and name HN  ))
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.15889E-02 ppm1      8.880 ppm2      2.322 CV     1
 ASSI {  512}
   (( segid "PAH " and resid 351  and name HB2 ))
   (( segid "PAH " and resid 352  and name HN  ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.11191E-02 ppm1      8.880 ppm2      1.900 CV     1
 ASSI {  513}
   (  segid "PAH " and resid 352  and name HB% )
   (( segid "PAH " and resid 352  and name HN  ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.70206E-02 ppm1      8.878 ppm2      1.381 CV     1
 ASSI {  515}
   (( segid "PAH " and resid 352  and name HN  ))
   (( segid "PAH " and resid 353  and name HN  ))
      2.600     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.33520E-02 ppm1      7.591 ppm2      8.876 CV     1
 ASSI {  516}
   (( segid "PAH " and resid 354  and name HN  ))
   (( segid "PAH " and resid 353  and name HN  ))
      5.500     3.700     0.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.89999E-04 ppm1      7.596 ppm2      8.098 CV     1
 ASSI {  517}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 353  and name HN  ))
      4.100     2.100     1.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.84725E-03 ppm1      7.596 ppm2      4.388 CV     1
 ASSI {  518}
   (( segid "PAH " and resid 352  and name HA  ))
   (( segid "PAH " and resid 353  and name HN  ))
      2.900     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      7.594 ppm2      4.240 CV     1
 ASSI {  519}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 353  and name HN  ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      7.594 ppm2      4.694 CV     1
 ASSI {  520}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 353  and name HN  ))
      3.500     1.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.97651E-03 ppm1      7.589 ppm2      2.433 CV     1
 ASSI {  521}
   (( segid "PAH " and resid 351  and name HB1 ))
   (( segid "PAH " and resid 353  and name HN  ))
      3.800     1.800     1.800 peak   521 spectrum    1 weight  0.10000E+01 volume  0.64663E-03 ppm1      7.588 ppm2      2.315 CV     1
 ASSI {  522}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 353  and name HN  ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.65455E-03 ppm1      7.588 ppm2      2.215 CV     1
 OR {  522}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 353  and name HN  ))
 ASSI {  523}
   (( segid "PAH " and resid 351  and name HB2 ))
   (( segid "PAH " and resid 353  and name HN  ))
      3.000     1.100     1.100 peak   523 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.593 ppm2      1.890 CV     1
 ASSI {  524}
   (( segid "PAH " and resid 353  and name HB1 ))
   (( segid "PAH " and resid 353  and name HN  ))
      2.800     1.000     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.38534E-02 ppm1      7.594 ppm2      1.672 CV     1
 OR {  524}
   (( segid "PAH " and resid 353  and name HG  ))
   (( segid "PAH " and resid 353  and name HN  ))
 ASSI {  525}
   (( segid "PAH " and resid 353  and name HB2 ))
   (( segid "PAH " and resid 353  and name HN  ))
      2.600     0.800     0.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.33520E-02 ppm1      7.593 ppm2      1.576 CV     1
 ASSI {  526}
   (  segid "PAH " and resid 352  and name HB% )
   (( segid "PAH " and resid 353  and name HN  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.25417E-02 ppm1      7.593 ppm2      1.380 CV     1
 ASSI {  527}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 353  and name HN  ))
      3.500     1.600     1.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.96597E-03 ppm1      7.592 ppm2      0.920 CV     1
 OR {  527}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 353  and name HN  ))
 ASSI {  528}
   (( segid "PAH " and resid 355  and name HN  ))
   (( segid "PAH " and resid 354  and name HN  ))
      4.700     2.700     1.300 peak   528 spectrum    1 weight  0.10000E+01 volume  0.19188E-03 ppm1      8.114 ppm2      9.215 CV     1
 ASSI {  529}
   (( segid "PAH " and resid 358  and name HN  ))
   (( segid "PAH " and resid 354  and name HN  ))
      3.300     1.300     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.12062E-02 ppm1      8.111 ppm2      8.239 CV     1
 ASSI {  532}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 354  and name HN  ))
      2.100     0.500     0.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.12431E-01 ppm1      8.112 ppm2      4.693 CV     1
 ASSI {  533}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 354  and name HN  ))
      2.600     0.900     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.34575E-02 ppm1      8.113 ppm2      2.311 CV     1
 ASSI {  534}
   (( segid "PAH " and resid 357  and name HB2 ))
   (( segid "PAH " and resid 354  and name HN  ))
      2.700     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.22619E-02 ppm1      8.114 ppm2      2.093 CV     1
 ASSI {  535}
   (( segid "PAH " and resid 353  and name HB1 ))
   (( segid "PAH " and resid 354  and name HN  ))
      3.400     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      8.112 ppm2      1.667 CV     1
 OR {  535}
   (( segid "PAH " and resid 353  and name HG  ))
   (( segid "PAH " and resid 354  and name HN  ))
 ASSI {  536}
   (( segid "PAH " and resid 353  and name HB2 ))
   (( segid "PAH " and resid 354  and name HN  ))
      4.000     2.000     2.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.67831E-03 ppm1      8.112 ppm2      1.558 CV     1
 ASSI {  537}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 354  and name HN  ))
      2.600     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.43021E-02 ppm1      8.110 ppm2      1.351 CV     1
 ASSI {  538}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 354  and name HN  ))
      3.600     1.600     1.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.10610E-02 ppm1      8.112 ppm2      0.928 CV     1
 OR {  538}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 354  and name HN  ))
 ASSI {  539}
   (( segid "PAH " and resid 356  and name HN  ))
   (( segid "PAH " and resid 355  and name HN  ))
      2.800     1.000     1.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20059E-02 ppm1      9.226 ppm2      8.398 CV     1
 ASSI {  541}
   (( segid "PAH " and resid 357  and name HN  ))
   (( segid "PAH " and resid 355  and name HN  ))
      5.000     3.100     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.11481E-03 ppm1      9.225 ppm2      7.742 CV     1
 ASSI {  542}
   (( segid "PAH " and resid 354  and name HB  ))
   (( segid "PAH " and resid 355  and name HN  ))
      2.300     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.50411E-02 ppm1      9.223 ppm2      4.794 CV     1
 ASSI {  543}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 355  and name HN  ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.20745E-02 ppm1      9.225 ppm2      3.705 CV     1
 ASSI {  544}
   (( segid "PAH " and resid 354  and name HB  ))
   (( segid "PAH " and resid 354  and name HN  ))
      2.900     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      8.112 ppm2      4.787 CV     1
 ASSI {  545}
   (( segid "PAH " and resid 355  and name HG2 ))
   (( segid "PAH " and resid 355  and name HN  ))
      3.400     1.400     1.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.17314E-02 ppm1      9.223 ppm2      2.394 CV     1
 ASSI {  546}
   (( segid "PAH " and resid 355  and name HB1 ))
   (( segid "PAH " and resid 355  and name HN  ))
      3.100     1.200     1.200 peak   546 spectrum    1 weight  0.10000E+01 volume  0.34839E-02 ppm1      9.224 ppm2      2.203 CV     1
 ASSI {  547}
   (( segid "PAH " and resid 355  and name HB2 ))
   (( segid "PAH " and resid 355  and name HN  ))
      2.900     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.13751E-02 ppm1      9.223 ppm2      2.007 CV     1
 ASSI {  548}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 355  and name HN  ))
      3.900     1.900     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.13751E-02 ppm1      9.224 ppm2      1.350 CV     1
 ASSI {  550}
   (( segid "PAH " and resid 357  and name HN  ))
   (( segid "PAH " and resid 356  and name HN  ))
      2.600     0.900     0.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.32727E-02 ppm1      8.393 ppm2      7.750 CV     1
 ASSI {  552}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 356  and name HN  ))
      2.700     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      8.393 ppm2      4.115 CV     1
 ASSI {  553}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 356  and name HN  ))
      3.300     1.400     1.400 peak   553 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      8.396 ppm2      3.713 CV     1
 ASSI {  554}
   (( segid "PAH " and resid 356  and name HG1 ))
   (( segid "PAH " and resid 356  and name HN  ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.20613E-02 ppm1      8.397 ppm2      2.518 CV     1
 OR {  554}
   (( segid "PAH " and resid 356  and name HG2 ))
   (( segid "PAH " and resid 356  and name HN  ))
 ASSI {  556}
   (( segid "PAH " and resid 356  and name HB1 ))
   (( segid "PAH " and resid 356  and name HN  ))
      2.300     0.700     0.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.94225E-02 ppm1      8.394 ppm2      2.159 CV     1
 ASSI {  557}
   (( segid "PAH " and resid 355  and name HB2 ))
   (( segid "PAH " and resid 356  and name HN  ))
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.24809E-02 ppm1      8.390 ppm2      2.013 CV     1
 ASSI {  558}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 356  and name HN  ))
      4.100     2.100     1.900 peak   558 spectrum    1 weight  0.10000E+01 volume  0.64663E-03 ppm1      8.393 ppm2      1.343 CV     1
 ASSI {  560}
   (( segid "PAH " and resid 358  and name HN  ))
   (( segid "PAH " and resid 357  and name HN  ))
      2.500     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      7.746 ppm2      8.248 CV     1
 ASSI {  561}
   (( segid "PAH " and resid 354  and name HN  ))
   (( segid "PAH " and resid 357  and name HN  ))
      3.800     1.800     1.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.47508E-03 ppm1      7.750 ppm2      8.113 CV     1
 ASSI {  564}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 357  and name HN  ))
      2.700     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      7.748 ppm2      4.250 CV     1
 ASSI {  565}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 357  and name HN  ))
      3.200     1.300     1.300 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12695E-02 ppm1      7.745 ppm2      4.108 CV     1
 ASSI {  567}
   (( segid "PAH " and resid 356  and name HG1 ))
   (( segid "PAH " and resid 357  and name HN  ))
      3.700     1.700     1.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      7.746 ppm2      2.517 CV     1
 OR {  567}
   (( segid "PAH " and resid 356  and name HG2 ))
   (( segid "PAH " and resid 357  and name HN  ))
 ASSI {  568}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 357  and name HN  ))
      2.400     0.700     0.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.86834E-02 ppm1      7.747 ppm2      2.321 CV     1
 ASSI {  571}
   (  segid "PAH " and resid 354  and name HG2%)
   (( segid "PAH " and resid 357  and name HN  ))
      4.900     3.000     1.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.21669E-03 ppm1      7.752 ppm2      1.350 CV     1
 ASSI {  572}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HN  ))
      4.300     2.400     1.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.34839E-03 ppm1      7.744 ppm2      0.927 CV     1
 OR {  572}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 357  and name HN  ))
 ASSI {  574}
   (( segid "PAH " and resid 356  and name HN  ))
   (( segid "PAH " and resid 358  and name HN  ))
      3.400     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.91323E-03 ppm1      8.239 ppm2      8.377 CV     1
 ASSI {  577}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 358  and name HN  ))
      3.700     1.700     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.54106E-03 ppm1      8.250 ppm2      4.247 CV     1
 ASSI {  579}
   (( segid "PAH " and resid 358  and name HA  ))
   (( segid "PAH " and resid 358  and name HN  ))
      2.800     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.24809E-02 ppm1      8.249 ppm2      3.419 CV     1
 ASSI {  581}
   (( segid "PAH " and resid 358  and name HB  ))
   (( segid "PAH " and resid 358  and name HN  ))
      2.300     0.600     0.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.73377E-02 ppm1      8.250 ppm2      2.146 CV     1
 ASSI {  583}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 358  and name HN  ))
      3.400     1.400     1.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      8.251 ppm2      0.926 CV     1
 OR {  583}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 358  and name HN  ))
 ASSI {  584}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 358  and name HN  ))
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.50147E-02 ppm1      8.250 ppm2      0.820 CV     1
 ASSI {  585}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 358  and name HN  ))
      2.800     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1      8.250 ppm2      0.730 CV     1
 ASSI {  587}
   (( segid "PAH " and resid 360  and name HN  ))
   (( segid "PAH " and resid 359  and name HN  ))
      2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      8.230 ppm2      8.007 CV     1
 ASSI {  588}
   (  segid "PAH " and resid 359  and name HD% )
   (( segid "PAH " and resid 359  and name HN  ))
      4.200     2.200     1.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.50147E-03 ppm1      8.227 ppm2      7.092 CV     1
 ASSI {  589}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 359  and name HN  ))
      3.800     1.800     1.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.42229E-03 ppm1      8.226 ppm2      4.113 CV     1
 ASSI {  590}
   (( segid "PAH " and resid 359  and name HA  ))
   (( segid "PAH " and resid 359  and name HN  ))
      2.800     1.000     1.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      8.228 ppm2      3.876 CV     1
 ASSI {  591}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 359  and name HN  ))
      4.400     2.400     1.600 peak   591 spectrum    1 weight  0.10000E+01 volume  0.21167E-03 ppm1      8.226 ppm2      3.709 CV     1
 ASSI {  592}
   (( segid "PAH " and resid 358  and name HA  ))
   (( segid "PAH " and resid 359  and name HN  ))
      3.700     1.700     1.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.56745E-03 ppm1      8.229 ppm2      3.412 CV     1
 ASSI {  593}
   (( segid "PAH " and resid 359  and name HB1 ))
   (( segid "PAH " and resid 359  and name HN  ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.36423E-02 ppm1      8.229 ppm2      3.233 CV     1
 ASSI {  594}
   (( segid "PAH " and resid 359  and name HB2 ))
   (( segid "PAH " and resid 359  and name HN  ))
      2.400     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.48564E-02 ppm1      8.228 ppm2      3.040 CV     1
 ASSI {  595}
   (( segid "PAH " and resid 358  and name HB  ))
   (( segid "PAH " and resid 359  and name HN  ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.39062E-02 ppm1      8.227 ppm2      2.154 CV     1
 ASSI {  596}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 359  and name HN  ))
      3.200     1.300     1.300 peak   596 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      8.228 ppm2      0.821 CV     1
 ASSI {  597}
   (  segid "PAH " and resid 360  and name HB% )
   (( segid "PAH " and resid 359  and name HN  ))
      4.000     2.000     2.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.72582E-03 ppm1      8.228 ppm2      1.554 CV     1
 ASSI {  598}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 359  and name HN  ))
      3.300     1.400     1.400 peak   598 spectrum    1 weight  0.10000E+01 volume  0.25206E-02 ppm1      8.227 ppm2      0.743 CV     1
 ASSI {  602}
   (  segid "PAH " and resid 359  and name HD% )
   (( segid "PAH " and resid 360  and name HN  ))
      4.000     2.000     2.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.39062E-03 ppm1      8.004 ppm2      7.112 CV     1
 ASSI {  603}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 360  and name HN  ))
      3.100     1.200     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15229E-02 ppm1      8.004 ppm2      4.252 CV     1
 ASSI {  604}
   (( segid "PAH " and resid 360  and name HA  ))
   (( segid "PAH " and resid 360  and name HN  ))
      2.600     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.39853E-02 ppm1      8.004 ppm2      4.047 CV     1
 ASSI {  605}
   (( segid "PAH " and resid 359  and name HA  ))
   (( segid "PAH " and resid 360  and name HN  ))
      3.800     1.800     1.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.51203E-03 ppm1      8.006 ppm2      3.876 CV     1
 ASSI {  606}
   (( segid "PAH " and resid 359  and name HB1 ))
   (( segid "PAH " and resid 360  and name HN  ))
      2.600     0.900     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      8.004 ppm2      3.237 CV     1
 ASSI {  607}
   (( segid "PAH " and resid 359  and name HB2 ))
   (( segid "PAH " and resid 360  and name HN  ))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.89475E-03 ppm1      8.004 ppm2      3.042 CV     1
 ASSI {  610}
   (  segid "PAH " and resid 360  and name HB% )
   (( segid "PAH " and resid 360  and name HN  ))
      2.300     0.600     0.600 peak   610 spectrum    1 weight  0.10000E+01 volume  0.92639E-02 ppm1      8.007 ppm2      1.554 CV     1
 ASSI {  614}
   (( segid "PAH " and resid 362  and name HN  ))
   (( segid "PAH " and resid 361  and name HN  ))
      2.600     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.31408E-02 ppm1      8.185 ppm2      8.409 CV     1
 ASSI {  615}
   (( segid "PAH " and resid 360  and name HN  ))
   (( segid "PAH " and resid 361  and name HN  ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.25892E-02 ppm1      8.184 ppm2      8.005 CV     1
 ASSI {  616}
   (( segid "PAH " and resid 357  and name HA  ))
   (( segid "PAH " and resid 361  and name HN  ))
      3.700     1.700     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.59121E-03 ppm1      8.185 ppm2      4.250 CV     1
 ASSI {  617}
   (( segid "PAH " and resid 360  and name HA  ))
   (( segid "PAH " and resid 361  and name HN  ))
      3.500     1.600     1.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.82877E-03 ppm1      8.191 ppm2      4.051 CV     1
 ASSI {  618}
   (( segid "PAH " and resid 361  and name HA  ))
   (( segid "PAH " and resid 361  and name HN  ))
      2.700     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.27449E-02 ppm1      8.189 ppm2      3.943 CV     1
 ASSI {  619}
   (( segid "PAH " and resid 358  and name HA  ))
   (( segid "PAH " and resid 361  and name HN  ))
      3.400     1.400     1.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.79444E-03 ppm1      8.186 ppm2      3.420 CV     1
 ASSI {  620}
   (( segid "PAH " and resid 361  and name HG1 ))
   (( segid "PAH " and resid 361  and name HN  ))
      2.500     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.34839E-02 ppm1      8.186 ppm2      2.689 CV     1
 ASSI {  621}
   (( segid "PAH " and resid 361  and name HG2 ))
   (( segid "PAH " and resid 361  and name HN  ))
      3.200     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23912E-02 ppm1      8.186 ppm2      2.347 CV     1
 ASSI {  622}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 361  and name HN  ))
      2.400     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.64399E-02 ppm1      8.188 ppm2      2.068 CV     1
 OR {  622}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 361  and name HN  ))
 ASSI {  623}
   (  segid "PAH " and resid 360  and name HB% )
   (( segid "PAH " and resid 361  and name HN  ))
      2.500     0.800     0.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.40910E-02 ppm1      8.182 ppm2      1.552 CV     1
 ASSI {  625}
   (( segid "PAH " and resid 363  and name HN  ))
   (( segid "PAH " and resid 362  and name HN  ))
      2.700     0.900     0.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.26921E-02 ppm1      8.402 ppm2      8.732 CV     1
 ASSI {  627}
   (( segid "PAH " and resid 361  and name HA  ))
   (( segid "PAH " and resid 362  and name HN  ))
      3.500     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.80760E-03 ppm1      8.404 ppm2      3.943 CV     1
 ASSI {  628}
   (( segid "PAH " and resid 359  and name HA  ))
   (( segid "PAH " and resid 362  and name HN  ))
      3.400     1.400     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.98444E-03 ppm1      8.404 ppm2      3.863 CV     1
 ASSI {  629}
   (( segid "PAH " and resid 362  and name HA  ))
   (( segid "PAH " and resid 362  and name HN  ))
      2.800     1.000     1.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.21906E-02 ppm1      8.402 ppm2      2.950 CV     1
 ASSI {  630}
   (( segid "PAH " and resid 361  and name HB1 ))
   (( segid "PAH " and resid 362  and name HN  ))
      2.600     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      8.402 ppm2      2.070 CV     1
 OR {  630}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 362  and name HN  ))
 ASSI {  631}
   (( segid "PAH " and resid 361  and name HG2 ))
   (( segid "PAH " and resid 362  and name HN  ))
      5.400     3.700     0.600 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15334E-03 ppm1      8.400 ppm2      2.335 CV     1
 ASSI {  632}
   (( segid "PAH " and resid 362  and name HB  ))
   (( segid "PAH " and resid 362  and name HN  ))
      2.400     0.700     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.51467E-02 ppm1      8.406 ppm2      1.469 CV     1
 ASSI {  633}
   (  segid "PAH " and resid 363  and name HB% )
   (( segid "PAH " and resid 362  and name HN  ))
      4.100     2.100     1.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      8.412 ppm2      1.232 CV     1
 ASSI {  634}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 362  and name HN  ))
      3.400     1.500     1.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.10478E-02 ppm1      8.403 ppm2      0.729 CV     1
 ASSI {  635}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 362  and name HN  ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.44077E-02 ppm1      8.404 ppm2      0.490 CV     1
 ASSI {  637}
   (( segid "PAH " and resid 364  and name HN  ))
   (( segid "PAH " and resid 363  and name HN  ))
      2.800     1.000     1.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.24229E-02 ppm1      8.731 ppm2      7.168 CV     1
 ASSI {  638}
   (( segid "PAH " and resid 363  and name HA  ))
   (( segid "PAH " and resid 363  and name HN  ))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      8.730 ppm2      3.780 CV     1
 ASSI {  639}
   (( segid "PAH " and resid 362  and name HA  ))
   (( segid "PAH " and resid 363  and name HN  ))
      3.600     1.600     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.60177E-03 ppm1      8.725 ppm2      2.947 CV     1
 ASSI {  641}
   (( segid "PAH " and resid 362  and name HB  ))
   (( segid "PAH " and resid 363  and name HN  ))
      2.700     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.28505E-02 ppm1      8.730 ppm2      1.473 CV     1
 ASSI {  642}
   (  segid "PAH " and resid 363  and name HB% )
   (( segid "PAH " and resid 363  and name HN  ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.80760E-02 ppm1      8.729 ppm2      1.237 CV     1
 ASSI {  643}
   (  segid "PAH " and resid 373  and name HD1%)
   (( segid "PAH " and resid 363  and name HN  ))
      3.900     1.900     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.44604E-03 ppm1      8.725 ppm2      0.919 CV     1
 ASSI {  644}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 363  and name HN  ))
      3.400     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10452E-02 ppm1      8.725 ppm2      0.802 CV     1
 ASSI {  645}
   (  segid "PAH " and resid 362  and name HG1%)
   (( segid "PAH " and resid 363  and name HN  ))
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.64928E-03 ppm1      8.722 ppm2      0.492 CV     1
 ASSI {  646}
   (( segid "PAH " and resid 365  and name HN  ))
   (( segid "PAH " and resid 364  and name HN  ))
      2.600     0.800     0.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.35631E-02 ppm1      7.171 ppm2      7.429 CV     1
 ASSI {  649}
   (( segid "PAH " and resid 361  and name HA  ))
   (( segid "PAH " and resid 364  and name HN  ))
      3.000     1.100     1.100 peak   649 spectrum    1 weight  0.10000E+01 volume  0.16020E-02 ppm1      7.171 ppm2      3.947 CV     1
 ASSI {  650}
   (( segid "PAH " and resid 363  and name HA  ))
   (( segid "PAH " and resid 364  and name HN  ))
      3.300     1.400     1.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      7.171 ppm2      3.777 CV     1
 ASSI {  651}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HN  ))
      5.400     3.600     0.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.11059E-03 ppm1      7.172 ppm2      3.220 CV     1
 OR {  651}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HN  ))
 ASSI {  653}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 364  and name HN  ))
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.11560E-01 ppm1      7.171 ppm2      1.852 CV     1
 OR {  653}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 364  and name HN  ))
 ASSI {  655}
   (( segid "PAH " and resid 362  and name HB  ))
   (( segid "PAH " and resid 364  and name HN  ))
      4.500     2.500     1.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.31144E-03 ppm1      7.171 ppm2      1.484 CV     1
 ASSI {  656}
   (  segid "PAH " and resid 363  and name HB% )
   (( segid "PAH " and resid 364  and name HN  ))
      2.600     0.900     0.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.36159E-02 ppm1      7.173 ppm2      1.232 CV     1
 ASSI {  658}
   (( segid "PAH " and resid 366  and name HN  ))
   (( segid "PAH " and resid 365  and name HN  ))
      2.700     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.31672E-02 ppm1      7.431 ppm2      8.312 CV     1
 ASSI {  660}
   (( segid "PAH " and resid 363  and name HA  ))
   (( segid "PAH " and resid 365  and name HN  ))
      3.700     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.50939E-03 ppm1      7.429 ppm2      3.770 CV     1
 ASSI {  661}
   (( segid "PAH " and resid 362  and name HA  ))
   (( segid "PAH " and resid 365  and name HN  ))
      3.000     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.15915E-02 ppm1      7.432 ppm2      2.950 CV     1
 ASSI {  662}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 365  and name HN  ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      7.430 ppm2      1.855 CV     1
 OR {  662}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 365  and name HN  ))
 ASSI {  663}
   (( segid "PAH " and resid 365  and name HG  ))
   (( segid "PAH " and resid 365  and name HN  ))
      2.600     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      7.432 ppm2      1.634 CV     1
 ASSI {  664}
   (( segid "PAH " and resid 365  and name HB1 ))
   (( segid "PAH " and resid 365  and name HN  ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.44077E-02 ppm1      7.432 ppm2      1.506 CV     1
 ASSI {  665}
   (( segid "PAH " and resid 365  and name HB2 ))
   (( segid "PAH " and resid 365  and name HN  ))
      2.600     0.800     0.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      7.432 ppm2      1.289 CV     1
 ASSI {  668}
   (( segid "PAH " and resid 364  and name HN  ))
   (( segid "PAH " and resid 366  and name HN  ))
      4.100     2.100     1.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.37742E-03 ppm1      8.313 ppm2      7.176 CV     1
 ASSI {  669}
   (( segid "PAH " and resid 367  and name HN  ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.000     1.100     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.24256E-02 ppm1      8.313 ppm2      7.064 CV     1
 ASSI {  670}
   (  segid "PAH " and resid 366  and name HD% )
   (( segid "PAH " and resid 366  and name HN  ))
      3.200     1.300     1.300 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13989E-02 ppm1      8.315 ppm2      6.599 CV     1
 ASSI {  671}
   (( segid "PAH " and resid 366  and name HA  ))
   (( segid "PAH " and resid 366  and name HN  ))
      2.900     1.100     1.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17894E-02 ppm1      8.313 ppm2      4.911 CV     1
 ASSI {  673}
   (( segid "PAH " and resid 366  and name HB1 ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.400     1.500     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1      8.315 ppm2      3.708 CV     1
 ASSI {  674}
   (( segid "PAH " and resid 363  and name HA  ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.200     1.300     1.300 peak   674 spectrum    1 weight  0.10000E+01 volume  0.11243E-02 ppm1      8.315 ppm2      3.793 CV     1
 ASSI {  675}
   (( segid "PAH " and resid 366  and name HB2 ))
   (( segid "PAH " and resid 366  and name HN  ))
      2.400     0.700     0.700 peak   675 spectrum    1 weight  0.10000E+01 volume  0.46188E-02 ppm1      8.315 ppm2      2.930 CV     1
 ASSI {  677}
   (( segid "PAH " and resid 365  and name HB1 ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.100     1.200     1.200 peak   677 spectrum    1 weight  0.10000E+01 volume  0.25866E-02 ppm1      8.311 ppm2      1.501 CV     1
 ASSI {  678}
   (( segid "PAH " and resid 365  and name HG  ))
   (( segid "PAH " and resid 366  and name HN  ))
      4.400     2.400     1.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.35895E-03 ppm1      8.310 ppm2      1.625 CV     1
 ASSI {  679}
   (( segid "PAH " and resid 365  and name HB2 ))
   (( segid "PAH " and resid 366  and name HN  ))
      2.700     0.900     0.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.25285E-02 ppm1      8.313 ppm2      1.296 CV     1
 ASSI {  680}
   (( segid "PAH " and resid 368  and name HN  ))
   (( segid "PAH " and resid 367  and name HN  ))
      3.500     1.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      7.066 ppm2      9.023 CV     1
 ASSI {  683}
   (( segid "PAH " and resid 366  and name HA  ))
   (( segid "PAH " and resid 367  and name HN  ))
      3.000     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14200E-02 ppm1      7.066 ppm2      4.912 CV     1
 ASSI {  684}
   (( segid "PAH " and resid 366  and name HB1 ))
   (( segid "PAH " and resid 367  and name HN  ))
      4.100     2.100     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.54898E-03 ppm1      7.062 ppm2      3.750 CV     1
 ASSI {  686}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HN  ))
      2.600     0.800     0.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.42757E-02 ppm1      7.171 ppm2      4.040 CV     1
 ASSI {  688}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 367  and name HN  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.63871E-02 ppm1      7.064 ppm2      4.037 CV     1
 ASSI {  689}
   (( segid "PAH " and resid 366  and name HB2 ))
   (( segid "PAH " and resid 367  and name HN  ))
      4.900     3.100     1.100 peak   689 spectrum    1 weight  0.10000E+01 volume  0.18396E-03 ppm1      7.061 ppm2      2.933 CV     1
 ASSI {  690}
   (( segid "PAH " and resid 367  and name HB1 ))
   (( segid "PAH " and resid 367  and name HN  ))
      2.400     0.700     0.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.57009E-02 ppm1      7.066 ppm2      2.028 CV     1
 ASSI {  691}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 367  and name HN  ))
      2.600     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      7.066 ppm2      1.881 CV     1
 ASSI {  692}
   (( segid "PAH " and resid 367  and name HD2 ))
   (( segid "PAH " and resid 367  and name HN  ))
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.47244E-03 ppm1      7.060 ppm2      1.768 CV     1
 OR {  692}
   (( segid "PAH " and resid 367  and name HD1 ))
   (( segid "PAH " and resid 367  and name HN  ))
 ASSI {  694}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HN  ))
      3.200     1.300     1.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      7.066 ppm2      1.485 CV     1
 OR {  694}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HN  ))
 ASSI {  695}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 365  and name HN  ))
      3.400     1.400     1.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.17816E-02 ppm1      7.431 ppm2      0.767 CV     1
 OR {  695}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 365  and name HN  ))
 ASSI {  701}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 368  and name HN  ))
      2.600     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.44077E-02 ppm1      9.020 ppm2      4.043 CV     1
 ASSI {  702}
   (( segid "PAH " and resid 368  and name HB1 ))
   (( segid "PAH " and resid 368  and name HN  ))
      3.100     1.200     1.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      9.019 ppm2      3.095 CV     1
 OR {  702}
   (( segid "PAH " and resid 368  and name HB2 ))
   (( segid "PAH " and resid 368  and name HN  ))
 ASSI {  703}
   (( segid "PAH " and resid 367  and name HB1 ))
   (( segid "PAH " and resid 368  and name HN  ))
      3.500     1.500     1.500 peak   703 spectrum    1 weight  0.10000E+01 volume  0.66775E-03 ppm1      9.031 ppm2      2.036 CV     1
 ASSI {  705}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 368  and name HN  ))
      3.400     1.400     1.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      9.020 ppm2      1.486 CV     1
 OR {  705}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 368  and name HN  ))
 ASSI {  706}
   (( segid "PAH " and resid 368  and name HN  ))
   (( segid "PAH " and resid 369  and name HN  ))
      2.600     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.38006E-02 ppm1      8.175 ppm2      9.021 CV     1
 ASSI {  707}
   (( segid "PAH " and resid 370  and name HN  ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.100     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      8.172 ppm2      8.708 CV     1
 ASSI {  708}
   (( segid "PAH " and resid 366  and name HA  ))
   (( segid "PAH " and resid 369  and name HN  ))
      4.100     2.100     1.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.31144E-03 ppm1      8.170 ppm2      4.919 CV     1
 ASSI {  709}
   (( segid "PAH " and resid 369  and name HA  ))
   (( segid "PAH " and resid 369  and name HN  ))
      2.900     1.100     1.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.18633E-02 ppm1      8.172 ppm2      4.822 CV     1
 ASSI {  710}
   (( segid "PAH " and resid 368  and name HA  ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.100     1.200     1.200 peak   710 spectrum    1 weight  0.10000E+01 volume  0.19584E-02 ppm1      8.172 ppm2      4.719 CV     1
 ASSI {  711}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.500     1.600     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.98444E-03 ppm1      8.175 ppm2      4.042 CV     1
 ASSI {  713}
   (( segid "PAH " and resid 368  and name HB2 ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.600     1.600     1.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.69942E-03 ppm1      8.177 ppm2      3.093 CV     1
 OR {  713}
   (( segid "PAH " and resid 368  and name HB1 ))
   (( segid "PAH " and resid 369  and name HN  ))
 ASSI {  714}
   (( segid "PAH " and resid 369  and name HG1 ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.200     1.300     1.300 peak   714 spectrum    1 weight  0.10000E+01 volume  0.20349E-02 ppm1      8.172 ppm2      2.427 CV     1
 ASSI {  716}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.100     1.200     1.200 peak   716 spectrum    1 weight  0.10000E+01 volume  0.32463E-02 ppm1      8.177 ppm2      1.860 CV     1
 ASSI {  717}
   (( segid "PAH " and resid 371  and name HN  ))
   (( segid "PAH " and resid 370  and name HN  ))
      2.900     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.19293E-02 ppm1      8.707 ppm2      9.007 CV     1
 ASSI {  720}
   (( segid "PAH " and resid 369  and name HA  ))
   (( segid "PAH " and resid 370  and name HN  ))
      2.400     0.700     0.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.60441E-02 ppm1      8.708 ppm2      4.820 CV     1
 ASSI {  721}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 370  and name HN  ))
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.49883E-02 ppm1      8.709 ppm2      3.979 CV     1
 ASSI {  722}
   (( segid "PAH " and resid 370  and name HG2 ))
   (( segid "PAH " and resid 370  and name HN  ))
      3.000     1.100     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.24651E-02 ppm1      8.708 ppm2      2.426 CV     1
 OR {  722}
   (( segid "PAH " and resid 370  and name HG1 ))
   (( segid "PAH " and resid 370  and name HN  ))
 ASSI {  723}
   (( segid "PAH " and resid 370  and name HB1 ))
   (( segid "PAH " and resid 370  and name HN  ))
      2.300     0.700     0.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.85780E-02 ppm1      8.705 ppm2      2.124 CV     1
 OR {  723}
   (( segid "PAH " and resid 370  and name HB2 ))
   (( segid "PAH " and resid 370  and name HN  ))
 ASSI {  724}
   (( segid "PAH " and resid 369  and name HB2 ))
   (( segid "PAH " and resid 370  and name HN  ))
      3.900     1.900     1.900 peak   724 spectrum    1 weight  0.10000E+01 volume  0.73377E-03 ppm1      8.711 ppm2      1.822 CV     1
 ASSI {  726}
   (( segid "PAH " and resid 373  and name HN  ))
   (( segid "PAH " and resid 371  and name HN  ))
      4.200     2.200     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.29033E-03 ppm1      9.003 ppm2      8.022 CV     1
 ASSI {  727}
   (( segid "PAH " and resid 372  and name HN  ))
   (( segid "PAH " and resid 371  and name HN  ))
      2.600     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.38534E-02 ppm1      9.003 ppm2      7.759 CV     1
 ASSI {  729}
   (( segid "PAH " and resid 369  and name HA  ))
   (( segid "PAH " and resid 371  and name HN  ))
      3.900     1.900     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.46188E-03 ppm1      9.005 ppm2      4.827 CV     1
 ASSI {  730}
   (( segid "PAH " and resid 371  and name HA  ))
   (( segid "PAH " and resid 371  and name HN  ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.31408E-02 ppm1      9.005 ppm2      4.410 CV     1
 ASSI {  731}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 371  and name HN  ))
      3.600     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.32727E-03 ppm1      9.010 ppm2      4.086 CV     1
 OR {  731}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 371  and name HN  ))
 ASSI {  732}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 371  and name HN  ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      9.007 ppm2      3.978 CV     1
 ASSI {  733}
   (( segid "PAH " and resid 371  and name HB1 ))
   (( segid "PAH " and resid 371  and name HN  ))
      2.900     1.000     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      9.007 ppm2      2.880 CV     1
 ASSI {  734}
   (( segid "PAH " and resid 371  and name HB2 ))
   (( segid "PAH " and resid 371  and name HN  ))
      2.900     1.100     1.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.18106E-02 ppm1      9.008 ppm2      2.683 CV     1
 ASSI {  735}
   (( segid "PAH " and resid 370  and name HG2 ))
   (( segid "PAH " and resid 371  and name HN  ))
      3.600     1.700     1.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.75748E-03 ppm1      9.008 ppm2      2.431 CV     1
 OR {  735}
   (( segid "PAH " and resid 370  and name HG1 ))
   (( segid "PAH " and resid 371  and name HN  ))
 ASSI {  736}
   (( segid "PAH " and resid 370  and name HB2 ))
   (( segid "PAH " and resid 371  and name HN  ))
      2.900     1.000     1.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      9.005 ppm2      2.123 CV     1
 OR {  736}
   (( segid "PAH " and resid 370  and name HB1 ))
   (( segid "PAH " and resid 371  and name HN  ))
 ASSI {  737}
   (( segid "PAH " and resid 370  and name HN  ))
   (( segid "PAH " and resid 372  and name HN  ))
      4.500     2.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.26657E-03 ppm1      7.759 ppm2      8.701 CV     1
 ASSI {  738}
   (( segid "PAH " and resid 373  and name HN  ))
   (( segid "PAH " and resid 372  and name HN  ))
      2.600     0.800     0.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.35895E-02 ppm1      7.758 ppm2      8.028 CV     1
 ASSI {  742}
   (( segid "PAH " and resid 371  and name HB1 ))
   (( segid "PAH " and resid 372  and name HN  ))
      3.900     1.900     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.39326E-03 ppm1      7.755 ppm2      2.892 CV     1
 ASSI {  743}
   (( segid "PAH " and resid 371  and name HB2 ))
   (( segid "PAH " and resid 372  and name HN  ))
      3.800     1.800     1.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.38534E-03 ppm1      7.756 ppm2      2.691 CV     1
 ASSI {  744}
   (( segid "PAH " and resid 372  and name HG  ))
   (( segid "PAH " and resid 372  and name HN  ))
      2.600     2.600     3.400 peak   744 spectrum    1 weight  0.10000E+01 volume  0.82346E-02 ppm1      7.757 ppm2      1.588 CV     1
 ASSI {  745}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 372  and name HN  ))
      2.900     1.100     1.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.11692E-02 ppm1      7.757 ppm2      0.966 CV     1
 ASSI {  746}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 372  and name HN  ))
      3.000     1.100     1.100 peak   746 spectrum    1 weight  0.10000E+01 volume  0.15334E-02 ppm1      7.759 ppm2      0.519 CV     1
 ASSI {  747}
   (  segid "PAH " and resid 372  and name HD2%)
   (( segid "PAH " and resid 372  and name HN  ))
      3.900     1.900     1.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.82608E-03 ppm1      7.759 ppm2      0.206 CV     1
 ASSI {  748}
   (( segid "PAH " and resid 374  and name HN  ))
   (( segid "PAH " and resid 373  and name HN  ))
      2.700     0.900     0.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.25100E-02 ppm1      8.021 ppm2      8.548 CV     1
 ASSI {  752}
   (( segid "PAH " and resid 370  and name HA  ))
   (( segid "PAH " and resid 373  and name HN  ))
      3.200     1.300     1.300 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12193E-02 ppm1      8.024 ppm2      3.979 CV     1
 ASSI {  754}
   (( segid "PAH " and resid 373  and name HB1 ))
   (( segid "PAH " and resid 373  and name HN  ))
      3.000     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.36159E-02 ppm1      8.022 ppm2      2.145 CV     1
 ASSI {  756}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 373  and name HN  ))
      2.300     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.51731E-02 ppm1      8.024 ppm2      1.719 CV     1
 ASSI {  758}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 373  and name HN  ))
      2.900     1.100     1.100 peak   758 spectrum    1 weight  0.10000E+01 volume  0.15044E-02 ppm1      8.022 ppm2      0.951 CV     1
 ASSI {  760}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 373  and name HN  ))
      4.700     2.700     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.25786E-03 ppm1      8.024 ppm2      0.519 CV     1
 ASSI {  763}
   (( segid "PAH " and resid 375  and name HN  ))
   (( segid "PAH " and resid 374  and name HN  ))
      2.800     0.900     0.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      8.546 ppm2      7.735 CV     1
 ASSI {  764}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 374  and name HN  ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.35367E-02 ppm1      8.545 ppm2      4.348 CV     1
 ASSI {  765}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 374  and name HN  ))
      2.400     0.700     0.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.67303E-02 ppm1      8.548 ppm2      4.084 CV     1
 OR {  765}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 374  and name HN  ))
 ASSI {  766}
   (( segid "PAH " and resid 373  and name HB1 ))
   (( segid "PAH " and resid 374  and name HN  ))
      2.700     0.900     0.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      8.545 ppm2      2.142 CV     1
 ASSI {  767}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 374  and name HN  ))
      3.800     1.800     1.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.68095E-03 ppm1      8.546 ppm2      1.900 CV     1
 ASSI {  769}
   (( segid "PAH " and resid 373  and name HB2 ))
   (( segid "PAH " and resid 374  and name HN  ))
      3.100     1.200     1.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.15651E-02 ppm1      8.544 ppm2      1.722 CV     1
 ASSI {  773}
   (( segid "PAH " and resid 375  and name HG1 ))
   (( segid "PAH " and resid 375  and name HN  ))
      3.400     1.400     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      7.740 ppm2      2.364 CV     1
 ASSI {  774}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 375  and name HN  ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.54370E-02 ppm1      7.741 ppm2      2.111 CV     1
 ASSI {  781}
   (( segid "PAH " and resid 376  and name HB2 ))
   (( segid "PAH " and resid 376  and name HN  ))
      2.600     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.39853E-02 ppm1      7.806 ppm2      3.339 CV     1
 ASSI {  784}
   (( segid "PAH " and resid 375  and name HB2 ))
   (( segid "PAH " and resid 376  and name HN  ))
      3.000     1.100     1.100 peak   784 spectrum    1 weight  0.10000E+01 volume  0.16733E-02 ppm1      7.807 ppm2      1.935 CV     1
 OR {  784}
   (( segid "PAH " and resid 375  and name HG2 ))
   (( segid "PAH " and resid 376  and name HN  ))
 ASSI {  785}
   (( segid "PAH " and resid 378  and name HN  ))
   (( segid "PAH " and resid 377  and name HN  ))
      2.900     1.000     1.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.19161E-02 ppm1      7.821 ppm2      7.501 CV     1
 ASSI {  789}
   (( segid "PAH " and resid 377  and name HA2 ))
   (( segid "PAH " and resid 377  and name HN  ))
      2.800     1.000     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.43285E-02 ppm1      7.815 ppm2      3.755 CV     1
 ASSI {  792}
   (( segid "PAH " and resid 379  and name HN  ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.600     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.34311E-02 ppm1      7.509 ppm2      7.736 CV     1
 ASSI {  793}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 378  and name HN  ))
      4.600     2.600     1.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.18291E-03 ppm1      7.509 ppm2      7.199 CV     1
 ASSI {  796}
   (( segid "PAH " and resid 378  and name HA  ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.800     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.26023E-02 ppm1      7.511 ppm2      3.981 CV     1
 ASSI {  797}
   (( segid "PAH " and resid 377  and name HA2 ))
   (( segid "PAH " and resid 378  and name HN  ))
      3.600     1.600     1.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.92901E-03 ppm1      7.508 ppm2      3.753 CV     1
 ASSI {  800}
   (( segid "PAH " and resid 378  and name HG1 ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.900     1.000     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      7.510 ppm2      2.189 CV     1
 ASSI {  801}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.32992E-02 ppm1      7.508 ppm2      2.098 CV     1
 ASSI {  802}
   (( segid "PAH " and resid 378  and name HB2 ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.400     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.66775E-02 ppm1      7.509 ppm2      1.721 CV     1
 OR {  802}
   (( segid "PAH " and resid 378  and name HB1 ))
   (( segid "PAH " and resid 378  and name HN  ))
 ASSI {  804}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 379  and name HN  ))
      2.700     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.31144E-02 ppm1      7.737 ppm2      7.200 CV     1
 ASSI {  805}
   (( segid "PAH " and resid 380  and name HN  ))
   (( segid "PAH " and resid 379  and name HN  ))
      2.600     0.800     0.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.38271E-02 ppm1      7.739 ppm2      6.968 CV     1
 ASSI {  806}
   (  segid "PAH " and resid 379  and name HE% )
   (( segid "PAH " and resid 379  and name HN  ))
      4.100     2.100     1.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.51467E-03 ppm1      7.735 ppm2      6.777 CV     1
 ASSI {  807}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 379  and name HN  ))
      4.300     2.400     1.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.22645E-03 ppm1      7.739 ppm2      4.350 CV     1
 ASSI {  808}
   (( segid "PAH " and resid 379  and name HA  ))
   (( segid "PAH " and resid 379  and name HN  ))
      2.900     1.100     1.100 peak   808 spectrum    1 weight  0.10000E+01 volume  0.20719E-02 ppm1      7.738 ppm2      4.120 CV     1
 ASSI {  809}
   (( segid "PAH " and resid 378  and name HA  ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.500     1.600     1.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.70998E-03 ppm1      7.738 ppm2      3.976 CV     1
 ASSI {  810}
   (( segid "PAH " and resid 377  and name HA2 ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.900     1.900     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.36687E-03 ppm1      7.741 ppm2      3.739 CV     1
 ASSI {  811}
   (( segid "PAH " and resid 379  and name HB1 ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.600     1.600     1.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.15150E-02 ppm1      7.737 ppm2      2.863 CV     1
 ASSI {  812}
   (( segid "PAH " and resid 379  and name HB2 ))
   (( segid "PAH " and resid 379  and name HN  ))
      2.600     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.30616E-02 ppm1      7.738 ppm2      2.554 CV     1
 ASSI {  813}
   (( segid "PAH " and resid 378  and name HG1 ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.800     1.800     1.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.79182E-03 ppm1      7.741 ppm2      2.177 CV     1
 ASSI {  814}
   (( segid "PAH " and resid 378  and name HB2 ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.100     1.200     1.200 peak   814 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      7.739 ppm2      1.717 CV     1
 OR {  814}
   (( segid "PAH " and resid 378  and name HB1 ))
   (( segid "PAH " and resid 379  and name HN  ))
 ASSI {  815}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 379  and name HN  ))
      3.800     1.800     1.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      7.740 ppm2      1.370 CV     1
 ASSI {  817}
   (( segid "PAH " and resid 378  and name HN  ))
   (( segid "PAH " and resid 380  and name HN  ))
      3.800     1.800     1.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.62024E-03 ppm1      6.967 ppm2      7.491 CV     1
 ASSI {  818}
   (  segid "PAH " and resid 379  and name HD% )
   (( segid "PAH " and resid 380  and name HN  ))
      4.100     2.100     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.62552E-03 ppm1      6.970 ppm2      7.203 CV     1
 ASSI {  819}
   (( segid "PAH " and resid 380  and name HA  ))
   (( segid "PAH " and resid 380  and name HN  ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.20798E-02 ppm1      6.967 ppm2      4.603 CV     1
 ASSI {  821}
   (( segid "PAH " and resid 378  and name HA  ))
   (( segid "PAH " and resid 380  and name HN  ))
      4.000     2.000     2.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.34839E-03 ppm1      6.969 ppm2      3.976 CV     1
 ASSI {  822}
   (( segid "PAH " and resid 377  and name HA2 ))
   (( segid "PAH " and resid 380  and name HN  ))
      3.400     1.500     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.64663E-03 ppm1      6.968 ppm2      3.752 CV     1
 ASSI {  823}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 380  and name HN  ))
      4.000     2.000     2.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.48564E-03 ppm1      6.969 ppm2      3.637 CV     1
 ASSI {  824}
   (( segid "PAH " and resid 379  and name HB1 ))
   (( segid "PAH " and resid 380  and name HN  ))
      4.300     2.300     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.40646E-03 ppm1      6.975 ppm2      2.845 CV     1
 ASSI {  825}
   (( segid "PAH " and resid 379  and name HB2 ))
   (( segid "PAH " and resid 380  and name HN  ))
      3.200     1.300     1.300 peak   825 spectrum    1 weight  0.10000E+01 volume  0.82608E-03 ppm1      6.969 ppm2      2.559 CV     1
 ASSI {  826}
   (( segid "PAH " and resid 380  and name HB1 ))
   (( segid "PAH " and resid 380  and name HN  ))
      3.400     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.14806E-02 ppm1      6.971 ppm2      1.519 CV     1
 ASSI {  827}
   (( segid "PAH " and resid 380  and name HB2 ))
   (( segid "PAH " and resid 380  and name HN  ))
      2.400     0.700     0.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.48564E-02 ppm1      6.970 ppm2      1.343 CV     1
 OR {  827}
   (( segid "PAH " and resid 380  and name HG  ))
   (( segid "PAH " and resid 380  and name HN  ))
 ASSI {  828}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 380  and name HN  ))
      3.800     1.800     1.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.74955E-03 ppm1      6.973 ppm2      0.771 CV     1
 OR {  828}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 380  and name HN  ))
 ASSI {  830}
   (( segid "PAH " and resid 382  and name HA  ))
   (( segid "PAH " and resid 382  and name HN  ))
      2.900     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.24440E-02 ppm1      8.443 ppm2      4.528 CV     1
 ASSI {  831}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 382  and name HN  ))
      2.400     0.700     0.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.63608E-02 ppm1      8.443 ppm2      4.422 CV     1
 ASSI {  832}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 382  and name HN  ))
      3.300     3.300     2.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.59384E-03 ppm1      8.442 ppm2      3.639 CV     1
 OR {  832}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 382  and name HN  ))
 ASSI {  833}
   (( segid "PAH " and resid 382  and name HB1 ))
   (( segid "PAH " and resid 382  and name HN  ))
      3.400     1.500     1.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      8.443 ppm2      2.690 CV     1
 ASSI {  834}
   (( segid "PAH " and resid 382  and name HB2 ))
   (( segid "PAH " and resid 382  and name HN  ))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.30088E-02 ppm1      8.440 ppm2      2.514 CV     1
 ASSI {  835}
   (( segid "PAH " and resid 381  and name HB1 ))
   (( segid "PAH " and resid 382  and name HN  ))
      3.800     1.900     1.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.67303E-03 ppm1      8.440 ppm2      2.296 CV     1
 ASSI {  836}
   (( segid "PAH " and resid 381  and name HG1 ))
   (( segid "PAH " and resid 382  and name HN  ))
      3.700     1.700     1.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.98713E-03 ppm1      8.442 ppm2      2.038 CV     1
 OR {  836}
   (( segid "PAH " and resid 381  and name HG2 ))
   (( segid "PAH " and resid 382  and name HN  ))
 ASSI {  837}
   (( segid "PAH " and resid 381  and name HB2 ))
   (( segid "PAH " and resid 382  and name HN  ))
      3.200     1.300     1.300 peak   837 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1      8.443 ppm2      1.963 CV     1
 ASSI {  838}
   (( segid "PAH " and resid 382  and name HN  ))
   (( segid "PAH " and resid 383  and name HN  ))
      3.000     1.100     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.18106E-02 ppm1      7.649 ppm2      8.437 CV     1
 ASSI {  839}
   (( segid "PAH " and resid 382  and name HA  ))
   (( segid "PAH " and resid 383  and name HN  ))
      2.900     1.000     1.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.23569E-02 ppm1      7.648 ppm2      4.521 CV     1
 ASSI {  840}
   (( segid "PAH " and resid 383  and name HA  ))
   (( segid "PAH " and resid 383  and name HN  ))
      3.300     1.400     1.400 peak   840 spectrum    1 weight  0.10000E+01 volume  0.98975E-03 ppm1      7.649 ppm2      4.056 CV     1
 ASSI {  841}
   (( segid "PAH " and resid 382  and name HB1 ))
   (( segid "PAH " and resid 383  and name HN  ))
      3.800     1.800     1.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.60177E-03 ppm1      7.651 ppm2      2.690 CV     1
 ASSI {  842}
   (( segid "PAH " and resid 382  and name HB2 ))
   (( segid "PAH " and resid 383  and name HN  ))
      4.100     2.100     1.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.34047E-03 ppm1      7.652 ppm2      2.509 CV     1
 ASSI {  844}
   (( segid "PAH " and resid 381  and name HB2 ))
   (( segid "PAH " and resid 383  and name HN  ))
      3.700     1.800     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.45132E-03 ppm1      7.653 ppm2      1.979 CV     1
 ASSI {  845}
   (  segid "PAH " and resid 383  and name HB% )
   (( segid "PAH " and resid 383  and name HN  ))
      2.800     1.000     1.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      7.649 ppm2      1.283 CV     1
 ASSI {  846}
   (  segid "PAH " and resid 362  and name HG2%)
   (( segid "PAH " and resid 362  and name HN  ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.93432E-03 ppm1      8.402 ppm2      9.673 CV     1
 ASSI {  847}
   (  segid "PAH " and resid 362  and name HG2%)
   (( segid "PAH " and resid 363  and name HN  ))
      4.100     2.100     1.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.74955E-03 ppm1      8.729 ppm2      9.659 CV     1
 ASSI {  853}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 312  and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.15440E-02 ppm1      8.477 ppm2      0.950 CV     1
assi {    1 ncpssfnoeb.xpk }
     (resid  304 and name HZ   and segid PAH  ) 
     (resid   18 and name HB#  and segid SID  ) 
     3.00 3.00 3.00
assi {    2 ncpssfnoeb.xpk }
     (resid  304 and name HZ   and segid PAH  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {    3 ncpssfnoeb.xpk }
     (resid  312 and name HA   and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {    4 ncpssfnoeb.xpk }
     (resid  307 and name HA   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {    5 ncpssfnoeb.xpk }
     (resid  307 and name HA   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     3.00 3.00 3.00
assi {    6 ncpssfnoeb.xpk }
     (resid  307 and name HA   and segid PAH  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {    7 ncpssfnoeb.xpk }
     (resid  311 and name HB   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {    8 ncpssfnoeb.xpk }
     (resid  311 and name HB   and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {    9 ncpssfnoeb.xpk }
     (resid  311 and name HB   and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   10 ncpssfnoeb.xpk }
     (resid  311 and name HB   and segid PAH  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   11 ncpssfnoeb.xpk }
     (resid  336 and name HB#  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {   12 ncpssfnoeb.xpk }
     (resid  336 and name HB#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {   13 ncpssfnoeb.xpk }
     (resid  315 and name HD#  and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   14 ncpssfnoeb.xpk }
     (resid  315 and name HD#  and segid PAH  ) 
    ((resid   16 and name HB#  and segid SID  ) 
  or (resid   19 and name HG   and segid SID  ))  
     2.50 2.50 2.50
assi {   15 ncpssfnoeb.xpk }
     (resid  315 and name HD#  and segid PAH  ) 
     (resid   19 and name HB#  and segid SID  ) 
     3.00 3.00 3.00
assi {   16 ncpssfnoeb.xpk }
     (resid  308 and name HG1# and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   17 ncpssfnoeb.xpk }
     (resid  308 and name HG1# and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   18 ncpssfnoeb.xpk }
     (resid  308 and name HG1# and segid PAH  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   19 ncpssfnoeb.xpk }
     (resid  308 and name HG1# and segid PAH  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   20 ncpssfnoeb.xpk }
     (resid  308 and name HG1# and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   23 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   24 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {   25 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   26 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {   27 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.00 2.00 2.00
assi {   28 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   13 and name HG   and segid SID  ))  
     2.00 2.00 2.00
assi {   29 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HB   and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.50 2.50 2.50
assi {   30 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   31 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   13 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   32 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid    9 and name HA   and segid SID  ) 
     3.00 3.00 3.00
assi {   34 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
     (resid    9 and name HG1# and segid SID  ) 
     3.00 3.00 3.00
assi {   35 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
     (resid    9 and name HG1# and segid SID  ) 
     3.00 3.00 3.00
assi {   36 ncpssfnoeb.xpk }
     (resid  329 and name HD*  and segid PAH  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   37 ncpssfnoeb.xpk }
    ((resid  329 and name HG   and segid PAH  ) 
  or (resid  332 and name HG   and segid PAH  ))  
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   38 ncpssfnoeb.xpk }
     (resid  332 and name HG   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   39 ncpssfnoeb.xpk }
    ((resid  329 and name HG   and segid PAH  ) 
  or (resid  332 and name HG   and segid PAH  ))  
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.50 2.50 2.50
assi {   40 ncpssfnoeb.xpk }
     (resid  329 and name HD*  and segid PAH  ) 
     (resid   20 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {   41 ncpssfnoeb.xpk }
     (resid  296 and name HD*  and segid PAH  ) 
     (resid   11 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   42 ncpssfnoeb.xpk }
     (resid  296 and name HD*  and segid PAH  ) 
    ((resid   11 and name HB#  and segid SID  ) 
  or (resid   11 and name HE#  and segid SID  ))  
     2.50 2.50 2.50
assi {   43 ncpssfnoeb.xpk }
     (resid  296 and name HD*  and segid PAH  ) 
     (resid   10 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {   44 ncpssfnoeb.xpk }
     (resid  296 and name HD*  and segid PAH  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   45 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   46 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   47 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   48 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
    ((resid   12 and name HB#  and segid SID  ) 
  or (resid   15 and name HB#  and segid SID  ))  
     2.00 2.00 2.00
assi {   49 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   50 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   12 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   51 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   52 ncpssfnoeb.xpk }
     (resid  311 and name HG2# and segid PAH  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   53 ncpssfnoeb.xpk }
     (resid  311 and name HG1# and segid PAH  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   54 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.50 2.50 2.50
assi {   55 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
     (resid    9 and name HG1# and segid SID  ) 
     2.50 2.50 2.50
assi {   56 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
    ((resid    9 and name HB   and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.50 2.50 2.50
assi {   57 ncpssfnoeb.xpk }
     (resid  296 and name HD*  and segid PAH  ) 
    ((resid   11 and name HB#  and segid SID  ) 
  or (resid   11 and name HE#  and segid SID  ))  
     2.50 2.50 2.50
assi {   58 ncpssfnoeb.xpk }
     (resid  358 and name HG2# and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     2.50 2.50 2.50
assi {   59 ncpssfnoeb.xpk }
     (resid  311 and name HG1# and segid PAH  ) 
     (resid   19 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   60 ncpssfnoeb.xpk }
     (resid  311 and name HG1# and segid PAH  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   61 ncpssfnoeb.xpk }
     (resid  311 and name HG1# and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   62 ncpssfnoeb.xpk }
     (resid  311 and name HG1# and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     1.50 1.50 1.50
assi {   63 ncpssfnoeb.xpk }
     (resid  329 and name HD*  and segid PAH  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   64 ncpssfnoeb.xpk }
     (resid  329 and name HD*  and segid PAH  ) 
     (resid   13 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   65 ncpssfnoeb.xpk }
     (resid  329 and name HD*  and segid PAH  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   66 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HB   and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.50 2.50 2.50
assi {   67 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   12 and name HB#  and segid SID  ))  
     2.00 2.00 2.00
assi {   68 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {   69 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   70 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   71 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {   72 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   13 and name HG   and segid SID  ))  
     2.00 2.00 2.00
assi {   73 ncpssfnoeb.xpk }
     (resid  332 and name HD*  and segid PAH  ) 
     (resid    9 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   74 ncpssfnoeb.xpk }
     (resid  358 and name HG1# and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {   75 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   76 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   77 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
    ((resid   12 and name HB#  and segid SID  ) 
  or (resid   15 and name HB#  and segid SID  ))  
     2.00 2.00 2.00
assi {   78 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   11 and name HE#  and segid SID  ) 
     2.50 2.50 2.50
assi {   79 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   80 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   11 and name HG#  and segid SID  ) 
     2.00 2.00 2.00
assi {   81 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   11 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {   82 ncpssfnoeb.xpk }
     (resid  307 and name HB#  and segid PAH  ) 
     (resid   12 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   83 ncpssfnoeb.xpk }
     (resid  308 and name HG2# and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   84 ncpssfnoeb.xpk }
     (resid  308 and name HG2# and segid PAH  ) 
     (resid   19 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   85 ncpssfnoeb.xpk }
     (resid  308 and name HG2# and segid PAH  ) 
     (resid   18 and name HE#  and segid SID  ) 
     2.50 2.50 2.50
assi {   86 ncpssfnoeb.xpk }
     (resid  308 and name HG2# and segid PAH  ) 
     (resid   18 and name HD#  and segid SID  ) 
     2.50 2.50 2.50
assi {   87 ncpssfnoeb.xpk }
     (resid  308 and name HG2# and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   88 ncpssfnoeb.xpk }
     (resid  315 and name HE#  and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {   89 ncpssfnoeb.xpk }
     (resid  308 and name HA   and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   90 ncpssfnoeb.xpk }
     (resid  308 and name HA   and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {   91 ncpssfnoeb.xpk }
     (resid  308 and name HA   and segid PAH  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   92 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   93 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {   94 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.50 2.50 2.50
assi {   95 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.50 2.50 2.50
assi {   96 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {   97 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {   98 ncpssfnoeb.xpk }
     (resid  332 and name HB#  and segid PAH  ) 
    ((resid    9 and name HG1# and segid SID  ) 
  or (resid   13 and name HG   and segid SID  ))  
     2.50 2.50 2.50
assi {   99 ncpssfnoeb.xpk }
     (resid  379 and name HB#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  100 ncpssfnoeb.xpk }
     (resid  379 and name HB#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  101 ncpssfnoeb.xpk }
     (resid  312 and name HB#  and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  102 ncpssfnoeb.xpk }
     (resid  312 and name HB#  and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  103 ncpssfnoeb.xpk }
    ((resid  312 and name HB#  and segid PAH  ) 
  or (resid  379 and name HB#  and segid PAH  ))  
    ((resid   12 and name HG   and segid SID  ) 
  or (resid   19 and name HG   and segid SID  ))  
     2.50 2.50 2.50
assi {  104 ncpssfnoeb.xpk }
     (resid  335 and name HB#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     3.00 3.00 3.00
assi {  105 ncpssfnoeb.xpk }
     (resid  335 and name HB#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {  106 ncpssfnoeb.xpk }
     (resid  335 and name HB#  and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     3.00 3.00 3.00
assi {  107 ncpssfnoeb.xpk }
     (resid  335 and name HB#  and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     3.00 3.00 3.00
assi {  108 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  109 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  110 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   19 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  111 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {  112 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   18 and name HB#  and segid SID  ) 
     3.00 3.00 3.00
assi {  113 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   18 and name HE#  and segid SID  ) 
     2.50 2.50 2.50
assi {  114 ncpssfnoeb.xpk }
     (resid  308 and name HD1# and segid PAH  ) 
     (resid   18 and name HD#  and segid SID  ) 
     2.00 2.00 2.00
assi {  115 ncpssfnoeb.xpk }
     (resid  308 and name HB   and segid PAH  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  116 ncpssfnoeb.xpk }
     (resid  355 and name HA   and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     2.50 2.50 2.50
assi {  117 ncpssfnoeb.xpk }
     (resid  376 and name HA   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  118 ncpssfnoeb.xpk }
     (resid  304 and name HA   and segid PAH  ) 
    ((resid   11 and name HB#  and segid SID  ) 
  or (resid   11 and name HE#  and segid SID  ))  
     2.50 2.50 2.50
assi {  119 ncpssfnoeb.xpk }
     (resid  304 and name HA   and segid PAH  ) 
     (resid   11 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {  120 ncpssfnoeb.xpk }
     (resid  304 and name HA   and segid PAH  ) 
     (resid   11 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {  121 ncpssfnoeb.xpk }
     (resid  333 and name HA   and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {  122 ncpssfnoeb.xpk }
     (resid  333 and name HA   and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  123 ncpssfnoeb.xpk }
     (resid  336 and name HG#  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {  124 ncpssfnoeb.xpk }
     (resid  336 and name HG#  and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.00 2.00 2.00
assi {  125 ncpssfnoeb.xpk }
     (resid  336 and name HG#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {  126 ncpssfnoeb.xpk }
     (resid  336 and name HG#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.50 2.50 2.50
assi {  127 ncpssfnoeb.xpk }
     (resid  379 and name HA   and segid PAH  ) 
     (resid    8 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {  128 ncpssfnoeb.xpk }
     (resid  379 and name HA   and segid PAH  ) 
     (resid    7 and name HE#  and segid SID  ) 
     2.00 2.00 2.00
assi {  129 ncpssfnoeb.xpk }
     (resid  332 and name HA   and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  130 ncpssfnoeb.xpk }
     (resid  332 and name HA   and segid PAH  ) 
    ((resid    9 and name HD1# and segid SID  ) 
  or (resid   13 and name HD*  and segid SID  ))  
     2.50 2.50 2.50
assi {  131 ncpssfnoeb.xpk }
     (resid  332 and name HA   and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {  132 ncpssfnoeb.xpk }
     (resid  329 and name HA   and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  133 ncpssfnoeb.xpk }
     (resid  329 and name HA   and segid PAH  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  134 ncpssfnoeb.xpk }
     (resid  329 and name HA   and segid PAH  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  135 ncpssfnoeb.xpk }
     (resid  328 and name HZ   and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  136 ncpssfnoeb.xpk }
     (resid  376 and name HE#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  137 ncpssfnoeb.xpk }
     (resid  310 and name HD#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  138 ncpssfnoeb.xpk }
     (resid  335 and name HD#  and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     2.00 2.00 2.00
assi {  139 ncpssfnoeb.xpk }
     (resid  310 and name HD#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  140 ncpssfnoeb.xpk }
     (resid  335 and name HD#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {  141 ncpssfnoeb.xpk }
     (resid  335 and name HD#  and segid PAH  ) 
     (resid    9 and name HG1# and segid SID  ) 
     3.00 3.00 3.00
assi {  142 ncpssfnoeb.xpk }
     (resid  310 and name HE#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  143 ncpssfnoeb.xpk }
     (resid  310 and name HE#  and segid PAH  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  144 ncpssfnoeb.xpk }
     (resid  335 and name HE#  and segid PAH  ) 
     (resid    9 and name HD1# and segid SID  ) 
     2.50 2.50 2.50
assi {  145 ncpssfnoeb.xpk }
     (resid  335 and name HE#  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {  146 ncpssfnoeb.xpk }
     (resid  335 and name HE#  and segid PAH  ) 
     (resid    9 and name HG1# and segid SID  ) 
     2.00 2.00 2.00
assi {  147 ncpssfnoeb.xpk }
     (resid  335 and name HE#  and segid PAH  ) 
     (resid    9 and name HB   and segid SID  ) 
     2.00 2.00 2.00
assi {  149 ncpssfnoeb.xpk }
     (resid  380 and name HD*  and segid PAH  ) 
     (resid    9 and name HG2# and segid SID  ) 
     3.00 3.00 3.00
assi {  150 ncpssfnoeb.xpk }
     (resid  303 and name HB#  and segid PAH  ) 
     (resid   11 and name HE#  and segid SID  ) 
     2.00 2.00 2.00
assi {    1 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   15 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    2 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   15 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    3 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   16 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    4 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   17 and name HN   and segid SID  ) 
     2.50 2.50 2.50
assi {    5 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   13 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    6 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   14 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    7 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   19 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    8 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
     (resid   20 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {    9 ncpsdhfnh_2.xpk }
     (resid    8 and name HN   and segid SID  ) 
    ((resid    7 and name HN   and segid SID  ) 
  or (resid    9 and name HN   and segid SID  ))  
     2.00 2.00 2.00
assi {   10 ncpsdhfnh_2.xpk }
    ((resid    7 and name HN   and segid SID  ) 
  or (resid    9 and name HN   and segid SID  ))  
     (resid    8 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   11 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   12 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   12 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   11 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   13 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   13 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   14 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   20 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   15 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   12 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   16 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   21 and name HN   and segid SID  ) 
     2.00 2.00 2.00
assi {   17 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    8 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   18 ncpsdhfnh_2.xpk }
     (resid    8 and name HN   and segid SID  ) 
     (resid    8 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   19 ncpsdhfnh_2.xpk }
     (resid    8 and name HN   and segid SID  ) 
     (resid    7 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   20 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   17 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   21 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   17 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   22 ncpsdhfnh_2.xpk }
     (resid   18 and name HN   and segid SID  ) 
     (resid   17 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   23 ncpsdhfnh_2.xpk }
     (resid    7 and name HN   and segid SID  ) 
     (resid    7 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   24 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   12 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   25 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   15 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   26 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   14 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   27 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   14 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   28 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   11 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   29 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   13 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   30 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   13 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   31 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   32 ncpsdhfnh_2.xpk }
     (resid    7 and name HN   and segid SID  ) 
     (resid    6 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   33 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   34 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid    9 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   35 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid   10 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   36 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
    ((resid   15 and name HA   and segid SID  ) 
  or (resid   19 and name HA   and segid SID  ))  
     2.00 2.00 2.00
assi {   37 ncpsdhfnh_2.xpk }
    ((resid   18 and name HN   and segid SID  ) 
  or (resid   19 and name HN   and segid SID  ))  
    ((resid   16 and name HA   and segid SID  ) 
  or (resid   18 and name HA   and segid SID  ))  
     1.50 1.50 1.50
assi {   39 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   11 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   40 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   14 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   41 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   42 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   10 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   43 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
    ((resid   12 and name HA   and segid SID  ) 
  or (resid   13 and name HA   and segid SID  ))  
     2.00 2.00 2.00
assi {   44 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid    9 and name HA   and segid SID  ) 
     3.00 3.00 3.00
assi {   45 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid    9 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   46 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   19 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   47 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   16 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   48 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   20 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   49 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   20 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   50 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
    ((resid   18 and name HA   and segid SID  ) 
  or (resid   21 and name HA   and segid SID  ))  
     2.00 2.00 2.00
assi {   51 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   19 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   52 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   11 and name HA   and segid SID  ) 
     2.50 2.50 2.50
assi {   53 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   54 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid    9 and name HA   and segid SID  ) 
     2.00 2.00 2.00
assi {   55 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   57 ncpsdhfnh_2.xpk }
     (resid   18 and name HN   and segid SID  ) 
     (resid   18 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {   58 ncpsdhfnh_2.xpk }
     (resid   18 and name HN   and segid SID  ) 
     (resid   18 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   59 ncpsdhfnh_2.xpk }
     (resid    8 and name HD2# and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   60 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   61 ncpsdhfnh_2.xpk }
     (resid    8 and name HD2# and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   62 ncpsdhfnh_2.xpk }
     (resid   18 and name HN   and segid SID  ) 
     (resid   17 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   63 ncpsdhfnh_2.xpk }
     (resid   18 and name HN   and segid SID  ) 
     (resid   17 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   64 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   17 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   65 ncpsdhfnh_2.xpk }
    ((resid   11 and name HN   and segid SID  ) 
  or (resid   17 and name HN   and segid SID  ))  
    ((resid   11 and name HG#  and segid SID  ) 
  or (resid   17 and name HB#  and segid SID  ))  
     1.50 1.50 1.50
assi {   66 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   14 and name HG#  and segid SID  ) 
     2.00 2.00 2.00
assi {   67 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   11 and name HG#  and segid SID  ) 
     2.00 2.00 2.00
assi {   68 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   69 ncpsdhfnh_2.xpk }
    ((resid   10 and name HE2# and segid SID  ) 
  or (resid   20 and name HN   and segid SID  ))  
    ((resid   10 and name HG#  and segid SID  ) 
  or (resid   20 and name HG#  and segid SID  ))  
     2.00 2.00 2.00
assi {   70 ncpsdhfnh_2.xpk }
    ((resid   10 and name HE2# and segid SID  ) 
  or (resid   20 and name HN   and segid SID  ))  
    ((resid   10 and name HG#  and segid SID  ) 
  or (resid   20 and name HG#  and segid SID  ))  
     2.00 2.00 2.00
assi {   71 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {   72 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid   10 and name HG#  and segid SID  ) 
     2.00 2.00 2.00
assi {   73 ncpsdhfnh_2.xpk }
     (resid    7 and name HN   and segid SID  ) 
     (resid    7 and name HG#  and segid SID  ) 
     2.00 2.00 2.00
assi {   74 ncpsdhfnh_2.xpk }
     (resid    7 and name HN   and segid SID  ) 
     (resid    7 and name HG#  and segid SID  ) 
     2.50 2.50 2.50
assi {   75 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
    ((resid   10 and name HB#  and segid SID  ) 
  or (resid   11 and name HB#  and segid SID  ))  
     2.00 2.00 2.00
assi {   76 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   77 ncpsdhfnh_2.xpk }
     (resid    8 and name HN   and segid SID  ) 
     (resid    7 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   78 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   20 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   79 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   20 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   80 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   20 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   81 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   20 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   82 ncpsdhfnh_2.xpk }
     (resid   11 and name HN   and segid SID  ) 
     (resid   10 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   83 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid   10 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   84 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid   10 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {   85 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   14 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   86 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   14 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   87 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   14 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   88 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   14 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   89 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid    9 and name HB   and segid SID  ) 
     2.00 2.00 2.00
assi {   90 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HB   and segid SID  ) 
     2.00 2.00 2.00
assi {   91 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   92 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   93 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   13 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   94 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   19 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {   95 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   13 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  100 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   21 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {  101 ncpsdhfnh_2.xpk }
     (resid    8 and name HN   and segid SID  ) 
     (resid    7 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  102 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HG1# and segid SID  ) 
     2.00 2.00 2.00
assi {  103 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HG1# and segid SID  ) 
     2.00 2.00 2.00
assi {  104 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   13 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  105 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   16 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {  106 ncpsdhfnh_2.xpk }
     (resid   17 and name HN   and segid SID  ) 
     (resid   16 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  107 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   15 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {  108 ncpsdhfnh_2.xpk }
     (resid   16 and name HN   and segid SID  ) 
     (resid   15 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  111 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  112 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  113 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HG   and segid SID  ) 
     2.00 2.00 2.00
assi {  114 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   13 and name HB#  and segid SID  ) 
     2.00 2.00 2.00
assi {  115 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   13 and name HG   and segid SID  ) 
     2.00 2.00 2.00
assi {  116 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   19 and name HG   and segid SID  ) 
     2.00 2.00 2.00
assi {  118 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
     (resid   19 and name HB#  and segid SID  ) 
     1.50 1.50 1.50
assi {  119 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
     (resid   19 and name HG   and segid SID  ) 
     2.00 2.00 2.00
assi {  120 ncpsdhfnh_2.xpk }
     (resid   14 and name HN   and segid SID  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  121 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HG2# and segid SID  ) 
     2.00 2.00 2.00
assi {  123 ncpsdhfnh_2.xpk }
     (resid   10 and name HN   and segid SID  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  124 ncpsdhfnh_2.xpk }
     (resid    9 and name HN   and segid SID  ) 
     (resid    9 and name HD1# and segid SID  ) 
     2.50 2.50 2.50
assi {  125 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.00 2.00 2.00
assi {  127 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  128 ncpsdhfnh_2.xpk }
     (resid   13 and name HN   and segid SID  ) 
     (resid   13 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  129 ncpsdhfnh_2.xpk }
     (resid   20 and name HN   and segid SID  ) 
     (resid   19 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  130 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  131 ncpsdhfnh_2.xpk }
     (resid   12 and name HN   and segid SID  ) 
     (resid   12 and name HD*  and segid SID  ) 
     2.50 2.50 2.50
assi {  132 ncpsdhfnh_2.xpk }
     (resid    8 and name HD2# and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  133 ncpsdhfnh_2.xpk }
     (resid    8 and name HD2# and segid SID  ) 
     (resid    8 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  134 ncpsdhfnh_2.xpk }
     (resid    8 and name HD2# and segid SID  ) 
     (resid   11 and name HB#  and segid SID  ) 
     2.50 2.50 2.50
assi {  135 ncpsdhfnh_2.xpk }
    ((resid   18 and name HN   and segid SID  ) 
  or (resid   19 and name HN   and segid SID  ))  
     (resid   18 and name HD#  and segid SID  ) 
     2.00 2.00 2.00
assi {  136 ncpsdhfnh_2.xpk }
     (resid   18 and name HD#  and segid SID  ) 
    ((resid   18 and name HN   and segid SID  ) 
  or (resid   19 and name HN   and segid SID  ))  
     2.00 2.00 2.00
assi {  138 ncpsdhfnh_2.xpk }
     (resid   15 and name HN   and segid SID  ) 
     (resid   13 and name HN   and segid SID  ) 
     2.50 2.50 2.50
assi {  139 ncpsdhfnh_2.xpk }
     (resid   19 and name HN   and segid SID  ) 
     (resid   21 and name HN   and segid SID  ) 
     2.50 2.50 2.50
assi {  140 ncpsdhfnh_2.xpk }
     (resid   21 and name HN   and segid SID  ) 
     (resid   19 and name HN   and segid SID  ) 
     2.50 2.50 2.50
 ASSI {    4}
   (( segid "SID " and resid 9    and name HB  ))
   (  segid "PAH " and resid 335  and name HD% )
      2.900     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      6.962 ppm2      2.141 CV     1
 OR {    4}
   (( segid "PAH " and resid 375  and name HB1 ))
   (  segid "PAH " and resid 310  and name HD% )
 OR {    4}
   (( segid "PAH " and resid 358  and name HB  ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {    4}
   (( segid "PAH " and resid 336  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {    8}
   (( segid "PAH " and resid 353  and name HB1 ))
   (  segid "PAH " and resid 335  and name HD% )
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.25426E-02 ppm1      6.973 ppm2      1.694 CV     1
 OR {    8}
   (( segid "PAH " and resid 313  and name HD2 ))
   (  segid "PAH " and resid 310  and name HD% )
 OR {    8}
   (( segid "PAH " and resid 353  and name HG  ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {    8}
   (( segid "PAH " and resid 313  and name HD1 ))
   (  segid "PAH " and resid 310  and name HD% )
 ASSI {   10}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 310  and name HD% )
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.51500E-02 ppm1      6.964 ppm2      0.824 CV     1
 OR {   10}
   (  segid "PAH " and resid 358  and name HG1%)
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   12}
   (( segid "SID " and resid 9    and name HG11))
   (  segid "PAH " and resid 335  and name HD% )
      3.400     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.10122E-02 ppm1      6.962 ppm2      1.590 CV     1
 OR {   12}
   (( segid "PAH " and resid 353  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {   12}
   (( segid "SID " and resid 12   and name HG  ))
   (  segid "PAH " and resid 310  and name HD% )
 ASSI {   13}
   (( segid "PAH " and resid 375  and name HB2 ))
   (  segid "PAH " and resid 310  and name HD% )
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      6.966 ppm2      1.953 CV     1
 OR {   13}
   (( segid "PAH " and resid 313  and name HB1 ))
   (  segid "PAH " and resid 310  and name HD% )
 OR {   13}
   (( segid "PAH " and resid 375  and name HG2 ))
   (  segid "PAH " and resid 310  and name HD% )
 OR {   13}
   (( segid "PAH " and resid 339  and name HG1 ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {   13}
   (( segid "PAH " and resid 339  and name HG2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   19}
   (  segid "PAH " and resid 342  and name HB% )
   (  segid "PAH " and resid 349  and name HD% )
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.38139E-02 ppm1      6.943 ppm2      1.469 CV     1
 OR {   19}
   (  segid "PAH " and resid 345  and name HB% )
   (  segid "PAH " and resid 349  and name HD% )
 ASSI {   21}
   (( segid "PAH " and resid 349  and name HB1 ))
   (  segid "PAH " and resid 349  and name HD% )
      2.100     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.87453E-02 ppm1      6.943 ppm2      2.973 CV     1
 OR {   21}
   (( segid "PAH " and resid 335  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   24}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 335  and name HD% )
      3.600     1.600     1.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.62026E-03 ppm1      6.975 ppm2      0.536 CV     1
 OR {   24}
   (  segid "PAH " and resid 372  and name HD1%)
   (  segid "PAH " and resid 310  and name HD% )
 OR {   24}
   (  segid "SID " and resid 13   and name HD2%)
   (  segid "PAH " and resid 335  and name HD% )
 OR {   24}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 310  and name HD% )
 ASSI {   25}
   (  segid "SID " and resid 9    and name HD1%)
   (  segid "PAH " and resid 335  and name HD% )
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.39434E-03 ppm1      6.968 ppm2      0.628 CV     1
 OR {   25}
   (  segid "SID " and resid 13   and name HD1%)
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   27}
   (( segid "PAH " and resid 336  and name HB1 ))
   (  segid "PAH " and resid 335  and name HD% )
      3.300     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.83401E-03 ppm1      6.963 ppm2      2.205 CV     1
 OR {   27}
   (( segid "PAH " and resid 336  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {   27}
   (( segid "PAH " and resid 338  and name HB2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   28}
   (( segid "PAH " and resid 375  and name HG1 ))
   (  segid "PAH " and resid 310  and name HD% )
      3.400     1.400     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.75224E-03 ppm1      6.962 ppm2      2.342 CV     1
 OR {   28}
   (( segid "PAH " and resid 336  and name HG2 ))
   (  segid "PAH " and resid 335  and name HD% )
 OR {   28}
   (( segid "PAH " and resid 355  and name HG2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   29}
   (( segid "PAH " and resid 375  and name HG1 ))
   (  segid "PAH " and resid 310  and name HD% )
      3.400     1.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.71581E-03 ppm1      6.960 ppm2      2.376 CV     1
 OR {   29}
   (( segid "PAH " and resid 355  and name HG2 ))
   (  segid "PAH " and resid 335  and name HD% )
 ASSI {   34}
   (  segid "PAH " and resid 373  and name HD2%)
   (  segid "PAH " and resid 359  and name HD% )
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.31904E-02 ppm1      7.128 ppm2      0.790 CV     1
 OR {   34}
   (  segid "PAH " and resid 380  and name HD1%)
   (  segid "PAH " and resid 359  and name HD% )
 ASSI {   40}
   (( segid "PAH " and resid 360  and name HA  ))
   (  segid "PAH " and resid 359  and name HD% )
      3.000     1.100     1.100 peak    40 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      7.127 ppm2      4.059 CV     1
 OR {   40}
   (( segid "PAH " and resid 377  and name HA1 ))
   (  segid "PAH " and resid 359  and name HD% )
 ASSI {   45}
   (( segid "PAH " and resid 315  and name HD1 ))
   (  segid "PAH " and resid 325  and name HD% )
      3.300     1.400     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.90690E-03 ppm1      7.070 ppm2      1.451 CV     1
 OR {   45}
   (( segid "PAH " and resid 326  and name HG2 ))
   (  segid "PAH " and resid 325  and name HD% )
 OR {   45}
   (( segid "PAH " and resid 315  and name HD2 ))
   (  segid "PAH " and resid 325  and name HD% )
 ASSI {   46}
   (( segid "PAH " and resid 314  and name HG11))
   (  segid "PAH " and resid 325  and name HD% )
      3.800     1.800     1.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.66398E-03 ppm1      7.068 ppm2      1.159 CV     1
 OR {   46}
   (  segid "PAH " and resid 311  and name HG2%)
   (  segid "PAH " and resid 325  and name HD% )
 ASSI {   60}
   (( segid "PAH " and resid 317  and name HB2 ))
   (  segid "PAH " and resid 318  and name HD% )
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.56358E-03 ppm1      7.313 ppm2      1.183 CV     1
 OR {   60}
   (( segid "PAH " and resid 324  and name HG12))
   (  segid "PAH " and resid 318  and name HD% )
 ASSI {   66}
   (  segid "PAH " and resid 307  and name HB% )
   (  segid "PAH " and resid 379  and name HE% )
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.74577E-03 ppm1      6.807 ppm2      1.496 CV     1
 OR {   66}
   (( segid "PAH " and resid 362  and name HB  ))
   (  segid "PAH " and resid 328  and name HD% )
 OR {   66}
   (  segid "PAH " and resid 327  and name HB% )
   (  segid "PAH " and resid 328  and name HD% )
 ASSI {   68}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 328  and name HD% )
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      6.836 ppm2      0.518 CV     1
 OR {   68}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 328  and name HD% )
 ASSI {   70}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 379  and name HE% )
      3.000     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.16113E-02 ppm1      6.833 ppm2      0.792 CV     1
 OR {   70}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 328  and name HD% )
 OR {   70}
   (  segid "PAH " and resid 331  and name HG2%)
   (  segid "PAH " and resid 328  and name HD% )
 OR {   70}
   (  segid "PAH " and resid 365  and name HD1%)
   (  segid "PAH " and resid 328  and name HD% )
 ASSI {   79}
   (  segid "PAH " and resid 380  and name HD1%)
   (  segid "PAH " and resid 376  and name HD% )
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      7.411 ppm2      0.808 CV     1
 OR {   79}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 376  and name HD% )
 ASSI {   86}
   (( segid "SID " and resid 11   and name HG1 ))
   (  segid "PAH " and resid 304  and name HD% )
      3.800     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.35709E-03 ppm1      7.166 ppm2      2.906 CV     1
 OR {   86}
   (( segid "PAH " and resid 305  and name HB1 ))
   (  segid "PAH " and resid 304  and name HD% )
 ASSI {   87}
   (  segid "SID " and resid 11   and name HE% )
   (  segid "PAH " and resid 304  and name HD% )
      3.500     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.65832E-03 ppm1      7.168 ppm2      2.288 CV     1
 OR {   87}
   (( segid "SID " and resid 14   and name HB2 ))
   (  segid "PAH " and resid 304  and name HD% )
 ASSI {   92}
   (( segid "SID " and resid 14   and name HB2 ))
   (  segid "PAH " and resid 304  and name HE% )
      3.800     1.800     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.48098E-03 ppm1      7.053 ppm2      2.283 CV     1
 OR {   92}
   (  segid "SID " and resid 11   and name HE% )
   (  segid "PAH " and resid 304  and name HE% )
 ASSI {   98}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 318  and name HE% )
      2.900     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      6.931 ppm2      0.788 CV     1
 OR {   98}
   (  segid "PAH " and resid 324  and name HD1%)
   (  segid "PAH " and resid 318  and name HE% )
 OR {   98}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 328  and name HE% )
 ASSI {   99}
   (( segid "PAH " and resid 317  and name HB2 ))
   (  segid "PAH " and resid 318  and name HE% )
      4.100     2.100     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.30123E-03 ppm1      6.925 ppm2      1.212 CV     1
 OR {   99}
   (  segid "PAH " and resid 311  and name HG1%)
   (  segid "PAH " and resid 328  and name HE% )
 OR {   99}
   (( segid "PAH " and resid 324  and name HG12))
   (  segid "PAH " and resid 318  and name HE% )
 ASSI {  104}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 328  and name HE% )
      3.300     1.400     1.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.64698E-03 ppm1      6.913 ppm2      0.512 CV     1
 OR {  104}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 328  and name HE% )
 ASSI {  112}
   (  segid "PAH " and resid 380  and name HD1%)
   (  segid "PAH " and resid 376  and name HE% )
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.34333E-02 ppm1      7.099 ppm2      0.763 CV     1
 OR {  112}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 376  and name HE% )
 ASSI {  115}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 366  and name HE% )
      3.200     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.82593E-03 ppm1      6.699 ppm2      0.787 CV     1
 OR {  115}
   (  segid "PAH " and resid 324  and name HD1%)
   (  segid "PAH " and resid 366  and name HE% )
 ASSI {  131}
   (  segid "PAH " and resid 373  and name HD1%)
   (  segid "PAH " and resid 366  and name HD% )
      3.500     1.600     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.51175E-03 ppm1      6.627 ppm2      0.951 CV     1
 OR {  131}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 366  and name HD% )
 ASSI {  132}
   (  segid "PAH " and resid 373  and name HD2%)
   (  segid "PAH " and resid 366  and name HD% )
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1      6.621 ppm2      0.800 CV     1
 OR {  132}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 366  and name HD% )
 ASSI {  141}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 376  and name HZ  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.32875E-02 ppm1      6.829 ppm2      0.769 CV     1
 OR {  141}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 376  and name HZ  ))
 OR {  141}
   (  segid "PAH " and resid 380  and name HD2%)
   (( segid "PAH " and resid 376  and name HZ  ))
 OR {  141}
   (  segid "SID " and resid 12   and name HD1%)
   (( segid "PAH " and resid 376  and name HZ  ))
 ASSI {  166}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 333  and name HD2 ))
      3.800     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.39677E-03 ppm1      7.190 ppm2      0.644 CV     1
 OR {  166}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 333  and name HD2 ))
 ASSI {  175}
   (( segid "PAH " and resid 349  and name HB2 ))
   (  segid "PAH " and resid 349  and name HE% )
      3.100     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.14656E-02 ppm1      6.846 ppm2      2.759 CV     1
 OR {  175}
   (( segid "PAH " and resid 341  and name HB1 ))
   (  segid "PAH " and resid 349  and name HE% )
 ASSI {  176}
   (( segid "PAH " and resid 341  and name HB2 ))
   (  segid "PAH " and resid 349  and name HE% )
      3.300     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10770E-02 ppm1      6.846 ppm2      2.409 CV     1
 OR {  176}
   (( segid "PAH " and resid 338  and name HG2 ))
   (  segid "PAH " and resid 349  and name HE% )
 ASSI {  179}
   (( segid "PAH " and resid 351  and name HG2 ))
   (  segid "PAH " and resid 349  and name HE% )
      3.500     1.500     1.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.11174E-02 ppm1      6.839 ppm2      1.949 CV     1
 OR {  179}
   (( segid "PAH " and resid 339  and name HB2 ))
   (  segid "PAH " and resid 349  and name HE% )
 ASSI {  181}
   (( segid "PAH " and resid 349  and name HA  ))
   (  segid "PAH " and resid 349  and name HE% )
      3.900     1.900     1.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.49151E-03 ppm1      6.844 ppm2      4.515 CV     1
 OR {  181}
   (( segid "PAH " and resid 350  and name HA  ))
   (  segid "PAH " and resid 349  and name HE% )
 ASSI {  185}
   (( segid "PAH " and resid 335  and name HA  ))
   (  segid "PAH " and resid 335  and name HE% )
      4.000     2.000     2.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.48260E-03 ppm1      6.764 ppm2      4.083 CV     1
 OR {  185}
   (( segid "PAH " and resid 376  and name HB1 ))
   (  segid "PAH " and resid 310  and name HE% )
 OR {  185}
   (( segid "PAH " and resid 375  and name HA  ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  188}
   (( segid "PAH " and resid 325  and name HA  ))
   (  segid "PAH " and resid 325  and name HE% )
      4.300     2.300     1.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.38463E-03 ppm1      6.767 ppm2      4.186 CV     1
 OR {  188}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  190}
   (( segid "PAH " and resid 328  and name HB1 ))
   (  segid "PAH " and resid 325  and name HE% )
      4.000     2.000     2.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.33686E-03 ppm1      6.767 ppm2      3.446 CV     1
 OR {  190}
   (( segid "PAH " and resid 329  and name HA  ))
   (  segid "PAH " and resid 325  and name HE% )
 OR {  190}
   (( segid "PAH " and resid 358  and name HA  ))
   (  segid "PAH " and resid 335  and name HE% )
 ASSI {  192}
   (( segid "PAH " and resid 315  and name HE2 ))
   (  segid "PAH " and resid 325  and name HE% )
      3.000     1.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      6.767 ppm2      2.825 CV     1
 OR {  192}
   (( segid "PAH " and resid 315  and name HE1 ))
   (  segid "PAH " and resid 325  and name HE% )
 OR {  192}
   (( segid "PAH " and resid 313  and name HE2 ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  194}
   (( segid "PAH " and resid 355  and name HG2 ))
   (  segid "PAH " and resid 335  and name HE% )
      3.100     1.200     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.14008E-02 ppm1      6.765 ppm2      2.398 CV     1
 OR {  194}
   (( segid "PAH " and resid 375  and name HG1 ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  195}
   (( segid "PAH " and resid 355  and name HB1 ))
   (  segid "PAH " and resid 335  and name HE% )
      3.400     1.400     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      6.763 ppm2      2.216 CV     1
 OR {  195}
   (( segid "PAH " and resid 338  and name HB2 ))
   (  segid "PAH " and resid 335  and name HE% )
 ASSI {  197}
   (( segid "PAH " and resid 375  and name HB2 ))
   (  segid "PAH " and resid 310  and name HE% )
      2.800     1.000     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      6.758 ppm2      1.930 CV     1
 OR {  197}
   (( segid "PAH " and resid 339  and name HG1 ))
   (  segid "PAH " and resid 335  and name HE% )
 OR {  197}
   (( segid "PAH " and resid 375  and name HG2 ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  198}
   (( segid "PAH " and resid 372  and name HB1 ))
   (  segid "PAH " and resid 310  and name HE% )
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31013E-02 ppm1      6.766 ppm2      1.657 CV     1
 OR {  198}
   (( segid "SID " and resid 9    and name HG11))
   (  segid "PAH " and resid 335  and name HE% )
 OR {  198}
   (  segid "SID " and resid 16   and name HB% )
   (  segid "PAH " and resid 325  and name HE% )
 OR {  198}
   (( segid "PAH " and resid 315  and name HB1 ))
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  200}
   (( segid "PAH " and resid 315  and name HB2 ))
   (  segid "PAH " and resid 325  and name HE% )
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.23645E-02 ppm1      6.760 ppm2      1.354 CV     1
 OR {  200}
   (( segid "SID " and resid 9    and name HG12))
   (  segid "PAH " and resid 335  and name HE% )
 OR {  200}
   (( segid "PAH " and resid 329  and name HG  ))
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  201}
   (( segid "PAH " and resid 314  and name HG11))
   (  segid "PAH " and resid 310  and name HE% )
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.40082E-02 ppm1      6.767 ppm2      1.160 CV     1
 OR {  201}
   (  segid "PAH " and resid 311  and name HG2%)
   (  segid "PAH " and resid 310  and name HE% )
 OR {  201}
   (  segid "PAH " and resid 311  and name HG2%)
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  202}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "PAH " and resid 335  and name HE% )
      3.300     1.400     1.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      6.767 ppm2      1.004 CV     1
 OR {  202}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  203}
   (  segid "PAH " and resid 353  and name HD1%)
   (  segid "PAH " and resid 335  and name HE% )
      3.400     1.400     1.400 peak   203 spectrum    1 weight  0.10000E+01 volume  0.89882E-03 ppm1      6.767 ppm2      0.933 CV     1
 OR {  203}
   (  segid "PAH " and resid 353  and name HD2%)
   (  segid "PAH " and resid 335  and name HE% )
 OR {  203}
   (  segid "SID " and resid 19   and name HD2%)
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  204}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 310  and name HE% )
      2.500     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.42997E-02 ppm1      6.762 ppm2      0.797 CV     1
 OR {  204}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 325  and name HE% )
 ASSI {  205}
   (  segid "PAH " and resid 329  and name HD1%)
   (  segid "PAH " and resid 325  and name HE% )
      2.400     0.700     0.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.54576E-02 ppm1      6.761 ppm2      0.630 CV     1
 OR {  205}
   (  segid "SID " and resid 9    and name HD1%)
   (  segid "PAH " and resid 335  and name HE% )
 ASSI {  206}
   (  segid "PAH " and resid 372  and name HD1%)
   (  segid "PAH " and resid 310  and name HE% )
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.24049E-02 ppm1      6.793 ppm2      0.544 CV     1
 OR {  206}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  220}
   (( segid "PAH " and resid 377  and name HA1 ))
   (  segid "PAH " and resid 359  and name HE% )
      3.600     1.600     1.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.48098E-03 ppm1      6.884 ppm2      4.080 CV     1
 OR {  220}
   (( segid "PAH " and resid 376  and name HB1 ))
   (  segid "PAH " and resid 359  and name HE% )
 ASSI {  226}
   (( segid "PAH " and resid 339  and name HB1 ))
   (  segid "PAH " and resid 335  and name HE% )
      3.300     1.400     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      6.765 ppm2      2.041 CV     1
 OR {  226}
   (( segid "PAH " and resid 355  and name HB2 ))
   (  segid "PAH " and resid 335  and name HE% )
 OR {  226}
   (( segid "SID " and resid 12   and name HB1 ))
   (  segid "PAH " and resid 310  and name HE% )
 ASSI {  227}
   (( segid "PAH " and resid 315  and name HB1 ))
   (  segid "PAH " and resid 325  and name HD% )
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.42026E-03 ppm1      7.065 ppm2      1.649 CV     1
 OR {  227}
   (( segid "PAH " and resid 326  and name HG1 ))
   (  segid "PAH " and resid 325  and name HD% )
 OR {  227}
   (( segid "PAH " and resid 324  and name HB  ))
   (  segid "PAH " and resid 325  and name HD% )
 ASSI {  228}
   (( segid "PAH " and resid 315  and name HB2 ))
   (  segid "PAH " and resid 325  and name HD% )
      3.700     1.700     1.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.36438E-03 ppm1      7.066 ppm2      1.359 CV     1
 OR {  228}
   (( segid "PAH " and resid 329  and name HG  ))
   (  segid "PAH " and resid 325  and name HD% )
 ASSI {  233}
   (( segid "PAH " and resid 317  and name HG1 ))
   (  segid "PAH " and resid 318  and name HE% )
      4.300     2.300     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.19353E-03 ppm1      6.942 ppm2      0.985 CV     1
 OR {  233}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 318  and name HE% )
 ASSI {  235}
   (( segid "SID " and resid 11   and name HG2 ))
   (  segid "PAH " and resid 304  and name HD% )
      4.200     2.200     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.24697E-03 ppm1      7.168 ppm2      2.684 CV     1
 OR {  235}
   (( segid "SID " and resid 14   and name HG2 ))
   (  segid "PAH " and resid 304  and name HD% )
 OR {  235}
   (( segid "SID " and resid 14   and name HG1 ))
   (  segid "PAH " and resid 304  and name HD% )
 ASSI {  236}
   (  segid "PAH " and resid 380  and name HD1%)
   (  segid "PAH " and resid 376  and name HE% )
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.25588E-02 ppm1      7.099 ppm2      0.825 CV     1
 OR {  236}
   (  segid "PAH " and resid 358  and name HG1%)
   (  segid "PAH " and resid 376  and name HE% )
 OR {  236}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 376  and name HE% )
 ASSI {  237}
   (( segid "PAH " and resid 365  and name HB1 ))
   (  segid "PAH " and resid 366  and name HD% )
      3.800     1.800     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.51175E-03 ppm1      6.633 ppm2      1.511 CV     1
 OR {  237}
   (( segid "PAH " and resid 362  and name HB  ))
   (  segid "PAH " and resid 366  and name HD% )
 ASSI {  238}
   (( segid "PAH " and resid 373  and name HG  ))
   (  segid "PAH " and resid 366  and name HD% )
      3.800     1.800     1.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.45264E-03 ppm1      6.625 ppm2      1.896 CV     1
 OR {  238}
   (( segid "PAH " and resid 369  and name HB1 ))
   (  segid "PAH " and resid 366  and name HD% )
 ASSI {    3}
   (( segid "PAH " and resid 324  and name HG11))
   (  segid "PAH " and resid 324  and name HG2%)
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.63033E-02 ppm1     -0.006 ppm2      1.538 CV     1
 OR {    3}
   (( segid "PAH " and resid 365  and name HB1 ))
   (  segid "PAH " and resid 324  and name HG2%)
 ASSI {   11}
   (( segid "PAH " and resid 362  and name HA  ))
   (  segid "PAH " and resid 331  and name HD1%)
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.96458E-03 ppm1      0.731 ppm2      2.982 CV     1
 OR {   11}
   (( segid "PAH " and resid 328  and name HB2 ))
   (  segid "PAH " and resid 331  and name HD1%)
 ASSI {   14}
   (  segid "PAH " and resid 327  and name HB% )
   (  segid "PAH " and resid 331  and name HD1%)
      3.500     1.600     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.76367E-03 ppm1      0.730 ppm2      1.534 CV     1
 OR {   14}
   (( segid "PAH " and resid 365  and name HB1 ))
   (  segid "PAH " and resid 331  and name HD1%)
 ASSI {   17}
   (( segid "PAH " and resid 358  and name HA  ))
   (  segid "PAH " and resid 331  and name HD1%)
      4.500     2.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.24651E-03 ppm1      0.737 ppm2      3.445 CV     1
 OR {   17}
   (( segid "PAH " and resid 328  and name HB1 ))
   (  segid "PAH " and resid 331  and name HD1%)
 ASSI {   27}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 314  and name HD1%)
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.22306E-02 ppm1      0.059 ppm2      0.796 CV     1
 OR {   27}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 314  and name HD1%)
 ASSI {   29}
   (  segid "PAH " and resid 372  and name HD1%)
   (  segid "PAH " and resid 314  and name HD1%)
      3.300     1.400     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.12460E-02 ppm1      0.059 ppm2      0.540 CV     1
 OR {   29}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 314  and name HD1%)
 ASSI {   50}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 353  and name HB1 ))
      3.900     1.900     1.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.41866E-03 ppm1      1.685 ppm2      0.841 CV     1
 OR {   50}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 353  and name HB1 ))
 ASSI {   51}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 353  and name HB2 ))
      3.800     1.800     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.33962E-03 ppm1      1.589 ppm2      0.840 CV     1
 OR {   51}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 353  and name HB2 ))
 ASSI {   66}
   (( segid "PAH " and resid 321  and name HG1 ))
   (  segid "PAH " and resid 324  and name HD1%)
      4.000     2.000     2.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.45483E-03 ppm1      0.767 ppm2      2.479 CV     1
 OR {   66}
   (( segid "PAH " and resid 318  and name HB2 ))
   (  segid "PAH " and resid 324  and name HD1%)
 ASSI {   85}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 365  and name HB1 ))
      3.900     3.900     2.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.46354E-03 ppm1      1.514 ppm2      0.012 CV     1
 OR {   85}
   (( segid "PAH " and resid 380  and name HN  ))
   (( segid "PAH " and resid 380  and name HB1 ))
 OR {   85}
   (( segid "PAH " and resid 366  and name HN  ))
   (( segid "PAH " and resid 365  and name HB1 ))
 OR {   85}
   (( segid "PAH " and resid 365  and name HN  ))
   (( segid "PAH " and resid 365  and name HB1 ))
 ASSI {   86}
   (( segid "PAH " and resid 365  and name HN  ))
   (( segid "PAH " and resid 365  and name HB2 ))
      3.100     1.200     1.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.97128E-03 ppm1      1.296 ppm2      0.005 CV     1
 OR {   86}
   (( segid "PAH " and resid 366  and name HN  ))
   (( segid "PAH " and resid 365  and name HB2 ))
 ASSI {   98}
   (( segid "PAH " and resid 296  and name HA  ))
   (( segid "PAH " and resid 296  and name HB1 ))
      3.400     1.400     1.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.66249E-03 ppm1      1.687 ppm2      4.342 CV     1
 OR {   98}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 372  and name HB1 ))
 ASSI {  105}
   (( segid "PAH " and resid 343  and name HD2 ))
   (( segid "PAH " and resid 343  and name HE1 ))
      2.100     0.600     0.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.11790E-01 ppm1      2.991 ppm2      1.709 CV     1
 OR {  105}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HE2 ))
 OR {  105}
   (( segid "PAH " and resid 343  and name HD2 ))
   (( segid "PAH " and resid 343  and name HE2 ))
 OR {  105}
   (( segid "PAH " and resid 343  and name HD1 ))
   (( segid "PAH " and resid 343  and name HE1 ))
 OR {  105}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HE2 ))
 OR {  105}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HE1 ))
 OR {  105}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HE1 ))
 OR {  105}
   (( segid "PAH " and resid 326  and name HD2 ))
   (( segid "PAH " and resid 326  and name HE1 ))
 OR {  105}
   (( segid "PAH " and resid 326  and name HD1 ))
   (( segid "PAH " and resid 326  and name HE2 ))
 OR {  105}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HE1 ))
 ASSI {  106}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HE1 ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      2.981 ppm2      1.567 CV     1
 OR {  106}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HE2 ))
 OR {  106}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HE2 ))
 ASSI {  107}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 337  and name HE2 ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.26392E-02 ppm1      2.988 ppm2      1.460 CV     1
 OR {  107}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HE1 ))
 OR {  107}
   (( segid "PAH " and resid 343  and name HG2 ))
   (( segid "PAH " and resid 343  and name HE2 ))
 OR {  107}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HE2 ))
 OR {  107}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 337  and name HE1 ))
 ASSI {  121}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HE2 ))
      3.200     1.200     1.200 peak   121 spectrum    1 weight  0.10000E+01 volume  0.17483E-02 ppm1      2.841 ppm2      1.604 CV     1
 OR {  121}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HE2 ))
 OR {  121}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 315  and name HE1 ))
 ASSI {  138}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 329  and name HB1 ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      1.746 ppm2      3.760 CV     1
 OR {  138}
   (( segid "PAH " and resid 363  and name HA  ))
   (( segid "PAH " and resid 373  and name HB2 ))
 ASSI {  142}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 349  and name HB1 ))
      2.900     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.23914E-02 ppm1      2.959 ppm2      1.455 CV     1
 OR {  142}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 349  and name HB1 ))
 ASSI {  147}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 332  and name HB1 ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.24584E-02 ppm1      1.706 ppm2      0.548 CV     1
 OR {  147}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 332  and name HB1 ))
 ASSI {  150}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 332  and name HB2 ))
      2.700     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      1.159 ppm2      0.552 CV     1
 OR {  150}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 332  and name HB2 ))
 ASSI {  180}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 312  and name HB1 ))
      3.400     1.400     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.17081E-02 ppm1      2.851 ppm2      0.981 CV     1
 OR {  180}
   (  segid "SID " and resid 19   and name HD1%)
   (( segid "PAH " and resid 312  and name HB1 ))
 OR {  180}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 371  and name HB1 ))
 ASSI {  181}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HB2 ))
      2.600     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.33292E-02 ppm1      3.029 ppm2      0.789 CV     1
 OR {  181}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 335  and name HB2 ))
 ASSI {  182}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 335  and name HB1 ))
      3.200     1.300     1.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.15273E-02 ppm1      3.236 ppm2      0.810 CV     1
 OR {  182}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 335  and name HB1 ))
 OR {  182}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 359  and name HB1 ))
 ASSI {  189}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 376  and name HB2 ))
      2.800     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      3.355 ppm2      4.381 CV     1
 OR {  189}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 376  and name HB2 ))
 ASSI {  191}
   (( segid "PAH " and resid 312  and name HA  ))
   (( segid "PAH " and resid 312  and name HB1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      2.865 ppm2      4.366 CV     1
 OR {  191}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 305  and name HB1 ))
 ASSI {  192}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 310  and name HB2 ))
      2.100     0.500     0.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.13196E-01 ppm1      2.881 ppm2      4.441 CV     1
 OR {  192}
   (( segid "PAH " and resid 371  and name HA  ))
   (( segid "PAH " and resid 371  and name HB1 ))
 OR {  192}
   (( segid "PAH " and resid 309  and name HA  ))
   (( segid "PAH " and resid 309  and name HB2 ))
 ASSI {  224}
   (( segid "PAH " and resid 303  and name HA  ))
   (( segid "PAH " and resid 303  and name HG1 ))
      3.500     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.60421E-03 ppm1      2.381 ppm2      4.178 CV     1
 OR {  224}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 341  and name HB2 ))
 ASSI {  227}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 375  and name HG1 ))
      2.600     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.38048E-02 ppm1      2.371 ppm2      4.132 CV     1
 OR {  227}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HG1 ))
 ASSI {  229}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HG2 ))
      2.600     0.900     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.41129E-02 ppm1      2.284 ppm2      4.134 CV     1
 OR {  229}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 330  and name HG2 ))
 OR {  229}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 330  and name HG1 ))
 ASSI {  231}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 375  and name HG1 ))
      3.100     1.200     1.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.13598E-02 ppm1      2.411 ppm2      0.948 CV     1
 OR {  231}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 357  and name HG2 ))
 OR {  231}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 357  and name HG1 ))
 OR {  231}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HG2 ))
 OR {  231}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HG1 ))
 OR {  231}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 338  and name HG2 ))
 ASSI {  235}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 375  and name HG1 ))
      3.400     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.87082E-03 ppm1      2.350 ppm2      0.948 CV     1
 OR {  235}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 357  and name HG2 ))
 OR {  235}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HG2 ))
 OR {  235}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HG1 ))
 ASSI {  237}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 324  and name HB  ))
      2.300     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.59148E-02 ppm1      1.604 ppm2      0.009 CV     1
 OR {  237}
   (( segid "PAH " and resid 325  and name HN  ))
   (( segid "PAH " and resid 324  and name HB  ))
 OR {  237}
   (( segid "PAH " and resid 324  and name HN  ))
   (( segid "PAH " and resid 324  and name HB  ))
 ASSI {  255}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 358  and name HA  ))
      2.300     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      3.430 ppm2      0.833 CV     1
 OR {  255}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 358  and name HA  ))
 ASSI {  256}
   (  segid "PAH " and resid 353  and name HD2%)
   (( segid "PAH " and resid 358  and name HA  ))
      3.800     1.800     1.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.63770E-03 ppm1      3.433 ppm2      0.947 CV     1
 OR {  256}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 358  and name HA  ))
 OR {  256}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 358  and name HA  ))
 ASSI {  257}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 362  and name HA  ))
      2.800     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.21770E-02 ppm1      2.965 ppm2      0.808 CV     1
 OR {  257}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 362  and name HA  ))
 ASSI {  260}
   (( segid "PAH " and resid 362  and name HB  ))
   (( segid "PAH " and resid 362  and name HA  ))
      2.700     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.37311E-02 ppm1      2.960 ppm2      1.515 CV     1
 OR {  260}
   (( segid "PAH " and resid 365  and name HB1 ))
   (( segid "PAH " and resid 362  and name HA  ))
 ASSI {  268}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 336  and name HG2 ))
      2.900     1.100     1.100 peak   268 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      2.332 ppm2      3.902 CV     1
 OR {  268}
   (( segid "PAH " and resid 361  and name HA  ))
   (( segid "PAH " and resid 361  and name HG2 ))
 ASSI {  274}
   (( segid "PAH " and resid 339  and name HA  ))
   (( segid "PAH " and resid 339  and name HG2 ))
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.34766E-02 ppm1      1.912 ppm2      3.906 CV     1
 OR {  274}
   (( segid "PAH " and resid 339  and name HA  ))
   (( segid "PAH " and resid 339  and name HG1 ))
 OR {  274}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 339  and name HG2 ))
 ASSI {  279}
   (( segid "PAH " and resid 311  and name HB  ))
   (( segid "PAH " and resid 311  and name HA  ))
      2.700     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.27732E-02 ppm1      3.406 ppm2      2.108 CV     1
 OR {  279}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 358  and name HA  ))
 ASSI {  292}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 314  and name HA  ))
      3.500     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.64708E-03 ppm1      3.153 ppm2      0.546 CV     1
 OR {  292}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 314  and name HA  ))
 ASSI {  294}
   (( segid "PAH " and resid 314  and name HG11))
   (( segid "PAH " and resid 314  and name HA  ))
      3.000     1.100     1.100 peak   294 spectrum    1 weight  0.10000E+01 volume  0.15406E-02 ppm1      3.151 ppm2      1.155 CV     1
 OR {  294}
   (( segid "PAH " and resid 317  and name HB2 ))
   (( segid "PAH " and resid 314  and name HA  ))
 ASSI {  303}
   (  segid "PAH " and resid 327  and name HB% )
   (( segid "PAH " and resid 324  and name HA  ))
      2.400     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.62766E-02 ppm1      3.699 ppm2      1.540 CV     1
 OR {  303}
   (( segid "PAH " and resid 324  and name HG11))
   (( segid "PAH " and resid 324  and name HA  ))
 ASSI {  311}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 359  and name HA  ))
      2.900     1.100     1.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.21100E-02 ppm1      3.889 ppm2      0.774 CV     1
 OR {  311}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 359  and name HA  ))
 OR {  311}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 359  and name HA  ))
 OR {  311}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 359  and name HA  ))
 ASSI {  314}
   (( segid "PAH " and resid 355  and name HB1 ))
   (( segid "PAH " and resid 355  and name HA  ))
      2.300     0.600     0.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.71005E-02 ppm1      3.714 ppm2      2.188 CV     1
 OR {  314}
   (( segid "PAH " and resid 358  and name HB  ))
   (( segid "PAH " and resid 355  and name HA  ))
 ASSI {  316}
   (  segid "PAH " and resid 335  and name HE% )
   (( segid "PAH " and resid 355  and name HA  ))
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      3.712 ppm2      0.766 CV     1
 OR {  316}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 355  and name HA  ))
 ASSI {  326}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 332  and name HB2 ))
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.65378E-03 ppm1      1.156 ppm2      0.647 CV     1
 OR {  326}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 332  and name HB2 ))
 ASSI {  334}
   (( segid "PAH " and resid 316  and name HB2 ))
   (( segid "PAH " and resid 316  and name HB1 ))
      1.600     0.300     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.42871E-01 ppm1      2.716 ppm2      2.620 CV     1
 OR {  334}
   (( segid "PAH " and resid 323  and name HB2 ))
   (( segid "PAH " and resid 323  and name HB1 ))
 ASSI {  356}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 359  and name HB1 ))
      2.700     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31148E-02 ppm1      3.240 ppm2      4.105 CV     1
 OR {  356}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 335  and name HB1 ))
 ASSI {  357}
   (( segid "PAH " and resid 328  and name HA  ))
   (( segid "PAH " and resid 328  and name HB2 ))
      2.600     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.26392E-02 ppm1      3.020 ppm2      3.895 CV     1
 OR {  357}
   (( segid "PAH " and resid 359  and name HA  ))
   (( segid "PAH " and resid 359  and name HB2 ))
 ASSI {  360}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 310  and name HB1 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.24718E-02 ppm1      3.356 ppm2      4.405 CV     1
 OR {  360}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 376  and name HB2 ))
 ASSI {  386}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 366  and name HB2 ))
      3.800     1.800     1.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.62632E-03 ppm1      2.929 ppm2      1.889 CV     1
 OR {  386}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 366  and name HB2 ))
 ASSI {  388}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 366  and name HB1 ))
      3.200     3.200     2.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.79043E-03 ppm1      3.733 ppm2      0.817 CV     1
 OR {  388}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 366  and name HB1 ))
 OR {  388}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 366  and name HB1 ))
 ASSI {  402}
   (( segid "PAH " and resid 336  and name HB2 ))
   (( segid "PAH " and resid 336  and name HG1 ))
      2.100     0.600     0.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11723E-01 ppm1      2.466 ppm2      2.202 CV     1
 OR {  402}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 321  and name HG1 ))
 OR {  402}
   (( segid "PAH " and resid 336  and name HB1 ))
   (( segid "PAH " and resid 336  and name HG1 ))
 ASSI {  405}
   (( segid "PAH " and resid 336  and name HB1 ))
   (( segid "PAH " and resid 336  and name HG2 ))
      2.000     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.16546E-01 ppm1      2.351 ppm2      2.189 CV     1
 OR {  405}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 321  and name HG2 ))
 OR {  405}
   (( segid "PAH " and resid 336  and name HB2 ))
   (( segid "PAH " and resid 336  and name HG2 ))
 ASSI {  410}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 321  and name HG2 ))
      3.400     1.500     1.500 peak   410 spectrum    1 weight  0.10000E+01 volume  0.72344E-03 ppm1      2.367 ppm2      0.780 CV     1
 OR {  410}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 361  and name HG2 ))
 OR {  410}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 361  and name HG2 ))
 OR {  410}
   (  segid "PAH " and resid 335  and name HE% )
   (( segid "PAH " and resid 336  and name HG2 ))
 ASSI {  424}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 351  and name HB2 ))
      2.400     0.700     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.65847E-02 ppm1      1.895 ppm2      4.402 CV     1
 OR {  424}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 326  and name HB2 ))
 ASSI {  425}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 351  and name HB1 ))
      2.200     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.66919E-02 ppm1      2.327 ppm2      4.402 CV     1
 OR {  425}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 381  and name HB1 ))
 ASSI {  427}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 326  and name HB1 ))
      2.300     0.700     0.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      1.879 ppm2      3.765 CV     1
 OR {  427}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 326  and name HB2 ))
 OR {  427}
   (( segid "PAH " and resid 351  and name HD2 ))
   (( segid "PAH " and resid 351  and name HB2 ))
 ASSI {  431}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 337  and name HB1 ))
      2.300     0.600     0.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.95120E-02 ppm1      2.001 ppm2      3.973 CV     1
 OR {  431}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 313  and name HB1 ))
 OR {  431}
   (( segid "PAH " and resid 334  and name HA  ))
   (( segid "PAH " and resid 337  and name HB1 ))
 ASSI {  432}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 313  and name HB2 ))
      2.100     0.500     0.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12325E-01 ppm1      1.955 ppm2      3.972 CV     1
 OR {  432}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 337  and name HB2 ))
 OR {  432}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 313  and name HB1 ))
 ASSI {  433}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 367  and name HB2 ))
      2.500     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.45282E-02 ppm1      1.939 ppm2      4.062 CV     1
 OR {  433}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 343  and name HB2 ))
 ASSI {  435}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 381  and name HB2 ))
      2.600     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      1.965 ppm2      4.450 CV     1
 OR {  435}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 313  and name HB1 ))
 ASSI {  444}
   (( segid "PAH " and resid 313  and name HD2 ))
   (( segid "PAH " and resid 313  and name HB1 ))
      2.100     0.600     0.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.12124E-01 ppm1      1.966 ppm2      1.708 CV     1
 OR {  444}
   (( segid "PAH " and resid 313  and name HD1 ))
   (( segid "PAH " and resid 313  and name HB2 ))
 OR {  444}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HB2 ))
 OR {  444}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HB1 ))
 OR {  444}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HB1 ))
 OR {  444}
   (( segid "PAH " and resid 313  and name HD1 ))
   (( segid "PAH " and resid 313  and name HB1 ))
 OR {  444}
   (( segid "PAH " and resid 313  and name HD2 ))
   (( segid "PAH " and resid 313  and name HB2 ))
 OR {  444}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HB2 ))
 OR {  444}
   (( segid "PAH " and resid 343  and name HD1 ))
   (( segid "PAH " and resid 343  and name HB1 ))
 ASSI {  446}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HB2 ))
      2.100     0.500     0.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.11656E-01 ppm1      1.943 ppm2      1.586 CV     1
 OR {  446}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HB2 ))
 OR {  446}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HB1 ))
 OR {  446}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HB2 ))
 ASSI {  448}
   (( segid "PAH " and resid 367  and name HG2 ))
   (( segid "PAH " and resid 367  and name HB2 ))
      2.100     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11990E-01 ppm1      1.895 ppm2      1.468 CV     1
 OR {  448}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HB1 ))
 OR {  448}
   (( segid "PAH " and resid 326  and name HG2 ))
   (( segid "PAH " and resid 326  and name HB2 ))
 OR {  448}
   (( segid "PAH " and resid 367  and name HG1 ))
   (( segid "PAH " and resid 367  and name HB2 ))
 ASSI {  469}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HB1 ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.38115E-03 ppm1      1.996 ppm2      0.549 CV     1
 OR {  469}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 313  and name HB1 ))
 ASSI {  473}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 324  and name HA  ))
      2.600     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.34029E-02 ppm1      3.701 ppm2      0.010 CV     1
 OR {  473}
   (( segid "PAH " and resid 324  and name HN  ))
   (( segid "PAH " and resid 324  and name HA  ))
 OR {  473}
   (( segid "PAH " and resid 325  and name HN  ))
   (( segid "PAH " and resid 324  and name HA  ))
 ASSI {  486}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HB2 ))
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.93112E-02 ppm1      1.983 ppm2      1.587 CV     1
 OR {  486}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HB2 ))
 OR {  486}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HB1 ))
 OR {  486}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 343  and name HB2 ))
 OR {  486}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HB1 ))
 ASSI {  524}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 311  and name HB  ))
      2.900     1.000     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.23177E-02 ppm1      2.090 ppm2      0.972 CV     1
 OR {  524}
   (  segid "SID " and resid 19   and name HD1%)
   (( segid "PAH " and resid 311  and name HB  ))
 OR {  524}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 311  and name HB  ))
 ASSI {  527}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 321  and name HB1 ))
      3.800     1.800     1.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.41866E-03 ppm1      2.366 ppm2      0.780 CV     1
 OR {  527}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 357  and name HB1 ))
 ASSI {  528}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 362  and name HB  ))
      3.300     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.10249E-02 ppm1      1.482 ppm2      0.797 CV     1
 OR {  528}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 362  and name HB  ))
 OR {  528}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 362  and name HB  ))
 ASSI {  531}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HB1 ))
      2.700     0.900     0.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.29474E-02 ppm1      2.118 ppm2      4.124 CV     1
 OR {  531}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 375  and name HB1 ))
 ASSI {  532}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HB2 ))
      2.700     0.900     0.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.28000E-02 ppm1      1.947 ppm2      4.125 CV     1
 OR {  532}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 375  and name HB2 ))
 ASSI {  533}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HB2 ))
      2.300     0.600     0.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.82390E-02 ppm1      1.867 ppm2      4.061 CV     1
 OR {  533}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HB2 ))
 OR {  533}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HB1 ))
 OR {  533}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HB1 ))
 ASSI {  535}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HD1 ))
      1.900     0.500     0.500 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19694E-01 ppm1      1.685 ppm2      1.592 CV     1
 OR {  535}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HD2 ))
 OR {  535}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HD1 ))
 OR {  535}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HD2 ))
 ASSI {  539}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 340  and name HB2 ))
      2.100     0.500     0.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.12928E-01 ppm1      1.872 ppm2      1.602 CV     1
 OR {  539}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HB1 ))
 OR {  539}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HB2 ))
 OR {  539}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 340  and name HB1 ))
 ASSI {  540}
   (( segid "PAH " and resid 375  and name HG1 ))
   (( segid "PAH " and resid 375  and name HB2 ))
      2.400     0.700     0.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.61895E-02 ppm1      1.947 ppm2      2.389 CV     1
 OR {  540}
   (( segid "PAH " and resid 344  and name HG1 ))
   (( segid "PAH " and resid 344  and name HB2 ))
 ASSI {  552}
   (( segid "PAH " and resid 303  and name HA  ))
   (( segid "PAH " and resid 303  and name HB1 ))
      2.200     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.97128E-02 ppm1      2.080 ppm2      4.170 CV     1
 OR {  552}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HB1 ))
 OR {  552}
   (( segid "PAH " and resid 303  and name HA  ))
   (( segid "PAH " and resid 303  and name HB2 ))
 ASSI {  555}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HB2 ))
      2.100     0.500     0.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.13866E-01 ppm1      1.969 ppm2      2.282 CV     1
 OR {  555}
   (( segid "PAH " and resid 344  and name HG2 ))
   (( segid "PAH " and resid 344  and name HB2 ))
 OR {  555}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HB1 ))
 ASSI {  559}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 375  and name HB1 ))
      2.900     1.100     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18220E-02 ppm1      2.097 ppm2      0.954 CV     1
 OR {  559}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 357  and name HB2 ))
 ASSI {  562}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 374  and name HA  ))
      2.000     0.500     0.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.17081E-01 ppm1      4.352 ppm2      4.098 CV     1
 OR {  562}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 374  and name HA  ))
 OR {  562}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 376  and name HA  ))
 ASSI {  569}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 344  and name HB2 ))
      3.100     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11387E-02 ppm1      1.973 ppm2      4.335 CV     1
 OR {  569}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 375  and name HB2 ))
 ASSI {  573}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 330  and name HB2 ))
      2.100     0.600     0.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.12124E-01 ppm1      2.106 ppm2      4.123 CV     1
 OR {  573}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 330  and name HB1 ))
 OR {  573}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 330  and name HB2 ))
 ASSI {  583}
   (( segid "PAH " and resid 351  and name HG2 ))
   (( segid "PAH " and resid 338  and name HB2 ))
      2.200     2.200     3.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.19492E-01 ppm1      2.218 ppm2      1.960 CV     1
 OR {  583}
   (( segid "PAH " and resid 351  and name HG2 ))
   (( segid "PAH " and resid 338  and name HB1 ))
 OR {  583}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 338  and name HB1 ))
 OR {  583}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 338  and name HB2 ))
 ASSI {  595}
   (( segid "PAH " and resid 354  and name HA  ))
   (( segid "PAH " and resid 355  and name HB1 ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      2.220 ppm2      4.724 CV     1
 OR {  595}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 338  and name HB1 ))
 OR {  595}
   (( segid "PAH " and resid 353  and name HA  ))
   (( segid "PAH " and resid 338  and name HB2 ))
 ASSI {  601}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 331  and name HG11))
      3.400     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      1.780 ppm2      4.062 CV     1
 OR {  601}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 367  and name HD2 ))
 OR {  601}
   (( segid "PAH " and resid 367  and name HA  ))
   (( segid "PAH " and resid 367  and name HD1 ))
 ASSI {  604}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 331  and name HG11))
      3.000     1.100     1.100 peak   604 spectrum    1 weight  0.10000E+01 volume  0.32220E-02 ppm1      1.767 ppm2      0.812 CV     1
 OR {  604}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 331  and name HG11))
 ASSI {  635}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HD2 ))
      3.400     1.500     1.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.81720E-03 ppm1      1.686 ppm2      4.141 CV     1
 OR {  635}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 343  and name HD1 ))
 OR {  635}
   (( segid "PAH " and resid 379  and name HA  ))
   (( segid "PAH " and resid 378  and name HB2 ))
 ASSI {  649}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 361  and name HB1 ))
      2.800     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.25789E-02 ppm1      2.061 ppm2      0.814 CV     1
 OR {  649}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 361  and name HB2 ))
 OR {  649}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 361  and name HB2 ))
 OR {  649}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 361  and name HB1 ))
 ASSI {  695}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HA  ))
      2.500     0.800     0.800 peak   695 spectrum    1 weight  0.10000E+01 volume  0.36909E-02 ppm1      3.958 ppm2      1.599 CV     1
 OR {  695}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 337  and name HA  ))
 ASSI {  696}
   (( segid "PAH " and resid 313  and name HB2 ))
   (( segid "PAH " and resid 313  and name HA  ))
      2.200     0.600     0.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.98466E-02 ppm1      3.958 ppm2      1.987 CV     1
 OR {  696}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 337  and name HA  ))
 OR {  696}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 337  and name HA  ))
 ASSI {  697}
   (( segid "PAH " and resid 308  and name HN  ))
   (( segid "PAH " and resid 308  and name HG11))
      2.900     2.900     3.100 peak   697 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      1.205 ppm2      0.006 CV     1
 OR {  697}
   (( segid "PAH " and resid 324  and name HN  ))
   (( segid "PAH " and resid 324  and name HG12))
 OR {  697}
   (( segid "PAH " and resid 317  and name HN  ))
   (( segid "PAH " and resid 317  and name HB2 ))
 OR {  697}
   (  segid "PAH " and resid 324  and name HG2%)
   (( segid "PAH " and resid 324  and name HG12))
 ASSI {  714}
   (( segid "PAH " and resid 319  and name HA  ))
   (( segid "PAH " and resid 319  and name HB2 ))
      2.300     0.700     0.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.61091E-02 ppm1      2.105 ppm2      4.084 CV     1
 OR {  714}
   (( segid "PAH " and resid 356  and name HA  ))
   (( segid "PAH " and resid 356  and name HB2 ))
 ASSI {  720}
   (( segid "PAH " and resid 339  and name HA  ))
   (( segid "PAH " and resid 339  and name HB2 ))
      2.500     0.800     0.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.39522E-02 ppm1      1.926 ppm2      3.905 CV     1
 OR {  720}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 339  and name HB2 ))
 ASSI {  736}
   (( segid "PAH " and resid 333  and name HB2 ))
   (( segid "PAH " and resid 330  and name HA  ))
      2.600     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.30144E-02 ppm1      4.117 ppm2      3.258 CV     1
 OR {  736}
   (( segid "PAH " and resid 359  and name HB1 ))
   (( segid "PAH " and resid 356  and name HA  ))
 ASSI {  739}
   (( segid "PAH " and resid 330  and name HB2 ))
   (( segid "PAH " and resid 330  and name HA  ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.13732E-01 ppm1      4.117 ppm2      2.112 CV     1
 OR {  739}
   (( segid "PAH " and resid 356  and name HB2 ))
   (( segid "PAH " and resid 356  and name HA  ))
 OR {  739}
   (( segid "PAH " and resid 330  and name HB1 ))
   (( segid "PAH " and resid 330  and name HA  ))
 ASSI {  754}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 340  and name HG2 ))
      2.600     0.800     0.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.42000E-02 ppm1      1.590 ppm2      4.059 CV     1
 OR {  754}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 364  and name HG2 ))
 ASSI {  759}
   (( segid "PAH " and resid 351  and name HD1 ))
   (( segid "PAH " and resid 351  and name HG1 ))
      2.100     0.600     0.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.10450E-01 ppm1      2.088 ppm2      3.773 CV     1
 OR {  759}
   (( segid "PAH " and resid 322  and name HD1 ))
   (( segid "PAH " and resid 322  and name HG2 ))
 ASSI {  762}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 301  and name HG2 ))
      2.100     0.500     0.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.15473E-01 ppm1      2.065 ppm2      3.698 CV     1
 OR {  762}
   (( segid "PAH " and resid 351  and name HD2 ))
   (( segid "PAH " and resid 351  and name HG1 ))
 OR {  762}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 301  and name HG1 ))
 ASSI {  763}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 301  and name HG2 ))
      2.000     0.500     0.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.16277E-01 ppm1      2.047 ppm2      3.665 CV     1
 OR {  763}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 381  and name HG1 ))
 OR {  763}
   (( segid "PAH " and resid 381  and name HD2 ))
   (( segid "PAH " and resid 381  and name HG2 ))
 OR {  763}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 301  and name HG1 ))
 OR {  763}
   (( segid "PAH " and resid 381  and name HD1 ))
   (( segid "PAH " and resid 381  and name HG1 ))
 ASSI {  773}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 361  and name HA  ))
      2.200     0.600     0.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.92443E-02 ppm1      3.963 ppm2      1.889 CV     1
 OR {  773}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 361  and name HA  ))
 OR {  773}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 337  and name HA  ))
 OR {  773}
   (( segid "PAH " and resid 340  and name HB1 ))
   (( segid "PAH " and resid 337  and name HA  ))
 ASSI {  781}
   (  segid "PAH " and resid 353  and name HD1%)
   (( segid "PAH " and resid 353  and name HG  ))
      3.200     1.300     1.300 peak   781 spectrum    1 weight  0.10000E+01 volume  0.87751E-03 ppm1      1.651 ppm2      0.971 CV     1
 OR {  781}
   (( segid "PAH " and resid 317  and name HG1 ))
   (( segid "PAH " and resid 317  and name HB1 ))
 ASSI {  786}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 340  and name HG2 ))
      2.300     0.700     0.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.71005E-02 ppm1      1.592 ppm2      3.185 CV     1
 OR {  786}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HG2 ))
 OR {  786}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HG2 ))
 OR {  786}
   (( segid "PAH " and resid 340  and name HD2 ))
   (( segid "PAH " and resid 340  and name HG2 ))
 ASSI {  802}
   (( segid "PAH " and resid 340  and name HG1 ))
   (( segid "PAH " and resid 340  and name HA  ))
      2.400     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.61895E-02 ppm1      4.053 ppm2      1.770 CV     1
 OR {  802}
   (( segid "PAH " and resid 367  and name HD1 ))
   (( segid "PAH " and resid 367  and name HA  ))
 ASSI {  803}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 367  and name HA  ))
      1.800     0.400     0.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.27129E-01 ppm1      4.053 ppm2      1.906 CV     1
 OR {  803}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 364  and name HA  ))
 OR {  803}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 340  and name HA  ))
 OR {  803}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 364  and name HA  ))
 ASSI {  804}
   (( segid "PAH " and resid 375  and name HB2 ))
   (( segid "PAH " and resid 375  and name HA  ))
      2.000     0.500     0.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.16880E-01 ppm1      4.121 ppm2      1.953 CV     1
 OR {  804}
   (( segid "PAH " and resid 343  and name HB1 ))
   (( segid "PAH " and resid 343  and name HA  ))
 OR {  804}
   (( segid "PAH " and resid 343  and name HB2 ))
   (( segid "PAH " and resid 343  and name HA  ))
 ASSI {  805}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 375  and name HA  ))
      2.200     0.600     0.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.97797E-02 ppm1      4.116 ppm2      2.130 CV     1
 OR {  805}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 375  and name HA  ))
 ASSI {  807}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 339  and name HA  ))
      2.500     0.800     0.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.42268E-02 ppm1      3.891 ppm2      1.936 CV     1
 OR {  807}
   (( segid "PAH " and resid 339  and name HG2 ))
   (( segid "PAH " and resid 339  and name HA  ))
 OR {  807}
   (( segid "PAH " and resid 339  and name HG1 ))
   (( segid "PAH " and resid 339  and name HA  ))
 OR {  807}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 336  and name HA  ))
 ASSI {  815}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 338  and name HA  ))
      2.700     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.30679E-02 ppm1      4.166 ppm2      2.417 CV     1
 OR {  815}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 338  and name HA  ))
 ASSI {  819}
   (( segid "PAH " and resid 319  and name HB2 ))
   (( segid "PAH " and resid 319  and name HA  ))
      2.200     0.600     0.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.10048E-01 ppm1      4.069 ppm2      2.118 CV     1
 OR {  819}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 375  and name HA  ))
 ASSI {  820}
   (( segid "PAH " and resid 364  and name HD2 ))
   (( segid "PAH " and resid 364  and name HA  ))
      3.400     1.400     1.400 peak   820 spectrum    1 weight  0.10000E+01 volume  0.12861E-02 ppm1      4.046 ppm2      3.199 CV     1
 OR {  820}
   (( segid "PAH " and resid 364  and name HD1 ))
   (( segid "PAH " and resid 364  and name HA  ))
 OR {  820}
   (( segid "PAH " and resid 340  and name HD1 ))
   (( segid "PAH " and resid 340  and name HA  ))
 OR {  820}
   (( segid "PAH " and resid 340  and name HD2 ))
   (( segid "PAH " and resid 340  and name HA  ))
 ASSI {  822}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 364  and name HA  ))
      3.700     1.700     1.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.34430E-03 ppm1      4.046 ppm2      0.818 CV     1
 OR {  822}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 367  and name HA  ))
 OR {  822}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 364  and name HA  ))
 OR {  822}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 364  and name HA  ))
 OR {  822}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 319  and name HA  ))
 OR {  822}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 340  and name HA  ))
 ASSI {  823}
   (  segid "PAH " and resid 373  and name HD1%)
   (( segid "PAH " and resid 367  and name HA  ))
      3.400     1.500     1.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.54191E-03 ppm1      4.047 ppm2      0.963 CV     1
 OR {  823}
   (  segid "PAH " and resid 373  and name HD1%)
   (( segid "PAH " and resid 364  and name HA  ))
 OR {  823}
   (  segid "PAH " and resid 318  and name HE% )
   (( segid "PAH " and resid 367  and name HA  ))
 OR {  823}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 367  and name HA  ))
 OR {  823}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 340  and name HA  ))
 ASSI {  846}
   (( segid "PAH " and resid 378  and name HB2 ))
   (( segid "PAH " and resid 375  and name HA  ))
      3.200     1.300     1.300 peak   846 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      4.121 ppm2      1.709 CV     1
 OR {  846}
   (( segid "PAH " and resid 343  and name HD2 ))
   (( segid "PAH " and resid 343  and name HA  ))
 OR {  846}
   (( segid "PAH " and resid 343  and name HD1 ))
   (( segid "PAH " and resid 343  and name HA  ))
 OR {  846}
   (( segid "PAH " and resid 378  and name HB1 ))
   (( segid "PAH " and resid 375  and name HA  ))
 ASSI {  848}
   (( segid "PAH " and resid 343  and name HG2 ))
   (( segid "PAH " and resid 343  and name HA  ))
      3.000     1.100     1.100 peak   848 spectrum    1 weight  0.10000E+01 volume  0.18555E-02 ppm1      4.124 ppm2      1.477 CV     1
 OR {  848}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 343  and name HA  ))
 ASSI {  853}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 332  and name HA  ))
      2.800     1.000     1.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.50842E-02 ppm1      3.849 ppm2      0.561 CV     1
 OR {  853}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 332  and name HA  ))
 ASSI {  867}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 329  and name HA  ))
      2.900     1.100     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.17216E-02 ppm1      3.448 ppm2      0.542 CV     1
 OR {  867}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 329  and name HA  ))
 ASSI {  892}
   (( segid "PAH " and resid 369  and name HB1 ))
   (  segid "PAH " and resid 372  and name HD2%)
      3.000     1.200     1.200 peak   892 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      0.210 ppm2      1.882 CV     1
 OR {  892}
   (( segid "PAH " and resid 314  and name HB  ))
   (  segid "PAH " and resid 372  and name HD2%)
 ASSI {  897}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 329  and name HG  ))
      3.100     1.200     1.200 peak   897 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      1.339 ppm2      3.449 CV     1
 OR {  897}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 329  and name HG  ))
 ASSI {  907}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "PAH " and resid 332  and name HD2%)
      4.700     2.700     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.18555E-03 ppm1      0.385 ppm2      3.993 CV     1
 OR {  907}
   (( segid "SID " and resid 10   and name HA  ))
   (  segid "PAH " and resid 332  and name HD2%)
 ASSI {  909}
   (( segid "SID " and resid 12   and name HB1 ))
   (  segid "PAH " and resid 332  and name HD2%)
      4.300     2.300     1.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.39387E-03 ppm1      0.382 ppm2      2.092 CV     1
 OR {  909}
   (( segid "SID " and resid 9    and name HB  ))
   (  segid "PAH " and resid 332  and name HD2%)
 ASSI {  932}
   (( segid "PAH " and resid 332  and name HB2 ))
   (  segid "PAH " and resid 332  and name HD2%)
      3.200     1.300     1.300 peak   932 spectrum    1 weight  0.10000E+01 volume  0.15608E-02 ppm1      0.384 ppm2      1.167 CV     1
 OR {  932}
   (( segid "PAH " and resid 328  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD2%)
 ASSI {  936}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD2%)
      3.000     1.100     1.100 peak   936 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      0.387 ppm2      0.807 CV     1
 OR {  936}
   (  segid "PAH " and resid 331  and name HG2%)
   (  segid "PAH " and resid 332  and name HD2%)
 OR {  936}
   (  segid "PAH " and resid 358  and name HG1%)
   (  segid "PAH " and resid 332  and name HD2%)
 ASSI {  937}
   (  segid "SID " and resid 13   and name HD1%)
   (  segid "PAH " and resid 332  and name HD2%)
      2.500     0.800     0.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.59684E-02 ppm1      0.387 ppm2      0.636 CV     1
 OR {  937}
   (  segid "SID " and resid 9    and name HD1%)
   (  segid "PAH " and resid 332  and name HD2%)
 ASSI {  942}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 372  and name HD2%)
      3.800     1.800     1.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.46488E-03 ppm1      0.210 ppm2      0.793 CV     1
 OR {  942}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 372  and name HD2%)
 ASSI {  943}
   (( segid "PAH " and resid 365  and name HN  ))
   (( segid "PAH " and resid 365  and name HA  ))
      3.600     3.600     2.400 peak   943 spectrum    1 weight  0.10000E+01 volume  0.50574E-03 ppm1      4.028 ppm2      0.002 CV     1
 OR {  943}
   (( segid "PAH " and resid 366  and name HN  ))
   (( segid "PAH " and resid 365  and name HA  ))
 ASSI {  950}
   (( segid "PAH " and resid 297  and name HG2 ))
   (( segid "PAH " and resid 297  and name HA  ))
      2.800     1.000     1.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.23914E-02 ppm1      3.983 ppm2      2.118 CV     1
 OR {  950}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 378  and name HA  ))
 ASSI {  951}
   (( segid "PAH " and resid 378  and name HG1 ))
   (( segid "PAH " and resid 378  and name HA  ))
      2.900     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.28067E-02 ppm1      3.982 ppm2      2.201 CV     1
 OR {  951}
   (( segid "PAH " and resid 297  and name HG1 ))
   (( segid "PAH " and resid 297  and name HA  ))
 ASSI {  957}
   (( segid "PAH " and resid 372  and name HB2 ))
   (( segid "PAH " and resid 372  and name HA  ))
      2.900     1.100     1.100 peak   957 spectrum    1 weight  0.10000E+01 volume  0.23445E-02 ppm1      4.372 ppm2      0.990 CV     1
 OR {  957}
   (  segid "PAH " and resid 310  and name HD% )
   (( segid "PAH " and resid 372  and name HA  ))
 ASSI {  960}
   (( segid "PAH " and resid 312  and name HB2 ))
   (( segid "PAH " and resid 309  and name HA  ))
      2.400     0.700     0.700 peak   960 spectrum    1 weight  0.10000E+01 volume  0.88420E-02 ppm1      4.406 ppm2      2.732 CV     1
 OR {  960}
   (( segid "PAH " and resid 323  and name HB1 ))
   (( segid "PAH " and resid 323  and name HA  ))
 ASSI {  962}
   (  segid "PAH " and resid 363  and name HB% )
   (  segid "PAH " and resid 373  and name HD1%)
      2.300     0.700     0.700 peak   962 spectrum    1 weight  0.10000E+01 volume  0.83059E-02 ppm1      0.943 ppm2      1.265 CV     1
 OR {  962}
   (  segid "PAH " and resid 334  and name HG2%)
   (  segid "PAH " and resid 353  and name HD1%)
 ASSI {  963}
   (( segid "PAH " and resid 353  and name HB2 ))
   (  segid "PAH " and resid 353  and name HD1%)
      2.500     0.800     0.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.44545E-02 ppm1      0.947 ppm2      1.591 CV     1
 OR {  963}
   (( segid "PAH " and resid 296  and name HB2 ))
   (  segid "PAH " and resid 296  and name HD1%)
 ASSI {  964}
   (( segid "PAH " and resid 380  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD1%)
      2.600     0.800     0.800 peak   964 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      0.793 ppm2      1.324 CV     1
 OR {  964}
   (( segid "PAH " and resid 365  and name HB2 ))
   (  segid "PAH " and resid 365  and name HD1%)
 ASSI {  966}
   (( segid "PAH " and resid 365  and name HB1 ))
   (  segid "PAH " and resid 365  and name HD1%)
      2.300     0.700     0.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.73013E-02 ppm1      0.795 ppm2      1.541 CV     1
 OR {  966}
   (( segid "PAH " and resid 380  and name HB1 ))
   (  segid "PAH " and resid 380  and name HD1%)
 OR {  966}
   (  segid "PAH " and resid 327  and name HB% )
   (  segid "PAH " and resid 365  and name HD1%)
 ASSI {  972}
   (( segid "PAH " and resid 343  and name HD2 ))
   (( segid "PAH " and resid 343  and name HG1 ))
      1.800     0.400     0.400 peak   972 spectrum    1 weight  0.10000E+01 volume  0.28804E-01 ppm1      1.549 ppm2      1.707 CV     1
 OR {  972}
   (( segid "PAH " and resid 337  and name HD2 ))
   (( segid "PAH " and resid 337  and name HG1 ))
 OR {  972}
   (( segid "PAH " and resid 337  and name HD1 ))
   (( segid "PAH " and resid 337  and name HG1 ))
 OR {  972}
   (( segid "PAH " and resid 343  and name HD1 ))
   (( segid "PAH " and resid 343  and name HG1 ))
 ASSI {  981}
   (( segid "PAH " and resid 335  and name HA  ))
   (  segid "PAH " and resid 353  and name HD1%)
      3.300     1.300     1.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.99135E-03 ppm1      0.938 ppm2      4.081 CV     1
 OR {  981}
   (( segid "PAH " and resid 376  and name HB1 ))
   (  segid "PAH " and resid 373  and name HD1%)
 OR {  981}
   (( segid "PAH " and resid 295  and name HB1 ))
   (  segid "PAH " and resid 296  and name HD1%)
 ASSI {  983}
   (( segid "PAH " and resid 373  and name HA  ))
   (  segid "PAH " and resid 373  and name HD1%)
      2.900     1.000     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.20966E-02 ppm1      0.934 ppm2      4.422 CV     1
 OR {  983}
   (( segid "PAH " and resid 334  and name HB  ))
   (  segid "PAH " and resid 353  and name HD1%)
 ASSI {  990}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 326  and name HG1 ))
      3.600     1.600     1.600 peak   990 spectrum    1 weight  0.10000E+01 volume  0.84405E-03 ppm1      1.628 ppm2      4.393 CV     1
 OR {  990}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 313  and name HG1 ))
 ASSI {  995}
   (( segid "PAH " and resid 326  and name HE1 ))
   (( segid "PAH " and resid 326  and name HG2 ))
      3.300     1.400     1.400 peak   995 spectrum    1 weight  0.10000E+01 volume  0.99812E-03 ppm1      1.449 ppm2      3.005 CV     1
 OR {  995}
   (( segid "PAH " and resid 343  and name HE2 ))
   (( segid "PAH " and resid 343  and name HG2 ))
 OR {  995}
   (( segid "PAH " and resid 326  and name HE2 ))
   (( segid "PAH " and resid 326  and name HG2 ))
 OR {  995}
   (( segid "PAH " and resid 343  and name HE1 ))
   (( segid "PAH " and resid 343  and name HG2 ))
 ASSI {  998}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HG2 ))
      2.800     1.000     1.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.18421E-02 ppm1      1.184 ppm2      0.542 CV     1
 OR {  998}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 313  and name HG2 ))
 ASSI {  999}
   (( segid "PAH " and resid 365  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
      3.300     3.300     2.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.13464E-02 ppm1      0.788 ppm2      0.012 CV     1
 OR {  999}
   (  segid "PAH " and resid 324  and name HG2%)
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 380  and name HN  ))
   (  segid "PAH " and resid 380  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 366  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 359  and name HN  ))
   (  segid "PAH " and resid 380  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 328  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 335  and name HH  ))
   (  segid "PAH " and resid 380  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 364  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 379  and name HN  ))
   (  segid "PAH " and resid 380  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 327  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 362  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 OR {  999}
   (( segid "PAH " and resid 331  and name HN  ))
   (  segid "PAH " and resid 365  and name HD1%)
 ASSI { 1006}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 372  and name HA  ))
      2.600     0.800     0.800 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.34297E-02 ppm1      4.342 ppm2      0.500 CV     1
 OR { 1006}
   (  segid "PAH " and resid 308  and name HD1%)
   (( segid "PAH " and resid 305  and name HA  ))
 ASSI { 1008}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 312  and name HA  ))
      2.600     0.800     0.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.35904E-02 ppm1      4.337 ppm2      1.586 CV     1
 OR { 1008}
   (( segid "PAH " and resid 296  and name HB2 ))
   (( segid "PAH " and resid 296  and name HA  ))
 ASSI { 1021}
   (( segid "PAH " and resid 355  and name HA  ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.200     1.300     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      0.747 ppm2      3.729 CV     1
 OR { 1021}
   (( segid "PAH " and resid 377  and name HA2 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1023}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "PAH " and resid 311  and name HG1%)
      3.400     1.400     1.400 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      1.215 ppm2      3.963 CV     1
 OR { 1023}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "PAH " and resid 311  and name HG1%)
 ASSI { 1041}
   (( segid "PAH " and resid 355  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.63234E-03 ppm1      0.748 ppm2      2.037 CV     1
 OR { 1041}
   (( segid "PAH " and resid 381  and name HG2 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1055}
   (( segid "PAH " and resid 355  and name HA  ))
   (  segid "PAH " and resid 358  and name HG1%)
      3.200     1.300     1.300 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1      0.823 ppm2      3.730 CV     1
 OR { 1055}
   (( segid "PAH " and resid 331  and name HA  ))
   (  segid "PAH " and resid 358  and name HG1%)
 OR { 1055}
   (( segid "PAH " and resid 366  and name HB1 ))
   (  segid "PAH " and resid 373  and name HD2%)
 ASSI { 1057}
   (( segid "PAH " and resid 312  and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
      3.200     3.200     2.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.71005E-03 ppm1      1.146 ppm2      4.366 CV     1
 OR { 1057}
   (( segid "PAH " and resid 305  and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI { 1058}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
      2.700     0.900     0.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.38182E-02 ppm1      1.148 ppm2      4.164 CV     1
 OR { 1058}
   (( segid "PAH " and resid 307  and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI { 1061}
   (( segid "PAH " and resid 311  and name HA  ))
   (  segid "PAH " and resid 311  and name HG2%)
      2.600     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.34363E-02 ppm1      1.149 ppm2      3.407 CV     1
 OR { 1061}
   (( segid "PAH " and resid 310  and name HB1 ))
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI { 1064}
   (( segid "PAH " and resid 358  and name HB  ))
   (  segid "PAH " and resid 358  and name HG1%)
      2.300     0.600     0.600 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.70335E-02 ppm1      0.821 ppm2      2.170 CV     1
 OR { 1064}
   (( segid "PAH " and resid 373  and name HB1 ))
   (  segid "PAH " and resid 373  and name HD2%)
 ASSI { 1070}
   (( segid "PAH " and resid 380  and name HB1 ))
   (  segid "PAH " and resid 380  and name HD2%)
      2.200     0.600     0.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.80382E-02 ppm1      0.767 ppm2      1.539 CV     1
 OR { 1070}
   (( segid "PAH " and resid 365  and name HB1 ))
   (  segid "PAH " and resid 365  and name HD2%)
 ASSI { 1071}
   (( segid "PAH " and resid 365  and name HB2 ))
   (  segid "PAH " and resid 365  and name HD2%)
      2.700     0.900     0.900 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.53521E-02 ppm1      0.770 ppm2      1.316 CV     1
 OR { 1071}
   (( segid "PAH " and resid 380  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1075}
   (  segid "PAH " and resid 329  and name HD2%)
   (  segid "PAH " and resid 311  and name HG2%)
      3.000     1.100     1.100 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.152 ppm2      0.624 CV     1
 OR { 1075}
   (( segid "PAH " and resid 308  and name HG12))
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI { 1078}
   (( segid "PAH " and resid 312  and name HB2 ))
   (( segid "PAH " and resid 309  and name HA  ))
      2.200     0.600     0.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.11053E-01 ppm1      4.416 ppm2      2.714 CV     1
 OR { 1078}
   (( segid "PAH " and resid 371  and name HB2 ))
   (( segid "PAH " and resid 371  and name HA  ))
 ASSI { 1080}
   (( segid "PAH " and resid 316  and name HB1 ))
   (( segid "PAH " and resid 316  and name HA  ))
      2.200     0.600     0.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.88420E-02 ppm1      4.355 ppm2      2.762 CV     1
 OR { 1080}
   (( segid "PAH " and resid 312  and name HB2 ))
   (( segid "PAH " and resid 312  and name HA  ))
 ASSI { 1086}
   (  segid "PAH " and resid 296  and name HD1%)
   (( segid "PAH " and resid 296  and name HA  ))
      3.000     1.100     1.100 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.20899E-02 ppm1      4.362 ppm2      0.971 CV     1
 OR { 1086}
   (  segid "SID " and resid 19   and name HD2%)
   (( segid "PAH " and resid 312  and name HA  ))
 ASSI { 1094}
   (( segid "PAH " and resid 359  and name HA  ))
   (  segid "PAH " and resid 362  and name HG1%)
      3.300     1.300     1.300 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      0.496 ppm2      3.902 CV     1
 OR { 1094}
   (( segid "PAH " and resid 328  and name HA  ))
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI { 1103}
   (  segid "PAH " and resid 324  and name HG2%)
   (  segid "PAH " and resid 365  and name HD2%)
      3.100     3.100     2.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      0.767 ppm2      0.006 CV     1
 OR { 1103}
   (( segid "PAH " and resid 365  and name HN  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 380  and name HN  ))
   (  segid "PAH " and resid 380  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 328  and name HN  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 366  and name HN  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 335  and name HH  ))
   (  segid "PAH " and resid 380  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 327  and name HN  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1103}
   (( segid "SID " and resid 8    and name HD22))
   (  segid "PAH " and resid 380  and name HD2%)
 OR { 1103}
   (( segid "SID " and resid 8    and name HD21))
   (  segid "PAH " and resid 380  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 364  and name HN  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1103}
   (( segid "PAH " and resid 379  and name HN  ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1109}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 342  and name HA  ))
      2.200     0.600     0.600 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.96458E-02 ppm1      3.942 ppm2      1.475 CV     1
 OR { 1109}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 342  and name HA  ))
 ASSI { 1126}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HA  ))
      3.000     1.200     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      4.710 ppm2      2.315 CV     1
 OR { 1126}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 353  and name HA  ))
 ASSI { 1141}
   (( segid "PAH " and resid 313  and name HE1 ))
   (  segid "PAH " and resid 372  and name HD1%)
      3.300     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.87751E-03 ppm1      0.529 ppm2      2.919 CV     1
 OR { 1141}
   (( segid "PAH " and resid 371  and name HB1 ))
   (  segid "PAH " and resid 372  and name HD1%)
 ASSI { 1142}
   (( segid "PAH " and resid 313  and name HE1 ))
   (  segid "PAH " and resid 372  and name HD1%)
      3.300     1.300     1.300 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.93112E-03 ppm1      0.529 ppm2      2.864 CV     1
 OR { 1142}
   (( segid "PAH " and resid 371  and name HB1 ))
   (  segid "PAH " and resid 372  and name HD1%)
 OR { 1142}
   (( segid "PAH " and resid 313  and name HE2 ))
   (  segid "PAH " and resid 372  and name HD1%)
 ASSI { 1143}
   (( segid "PAH " and resid 313  and name HB1 ))
   (  segid "PAH " and resid 372  and name HD1%)
      3.000     1.100     1.100 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.17014E-02 ppm1      0.534 ppm2      1.962 CV     1
 OR { 1143}
   (( segid "PAH " and resid 313  and name HB2 ))
   (  segid "PAH " and resid 372  and name HD1%)
 OR { 1143}
   (( segid "PAH " and resid 375  and name HB2 ))
   (  segid "PAH " and resid 372  and name HD1%)
 ASSI { 1144}
   (( segid "PAH " and resid 332  and name HB1 ))
   (  segid "PAH " and resid 332  and name HD1%)
      2.500     0.800     0.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.56603E-02 ppm1      0.533 ppm2      1.685 CV     1
 OR { 1144}
   (( segid "PAH " and resid 372  and name HB1 ))
   (  segid "PAH " and resid 372  and name HD1%)
 ASSI { 1147}
   (( segid "PAH " and resid 332  and name HB2 ))
   (  segid "PAH " and resid 332  and name HD1%)
      2.600     0.800     0.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.32086E-02 ppm1      0.533 ppm2      1.178 CV     1
 OR { 1147}
   (( segid "PAH " and resid 328  and name HZ  ))
   (  segid "PAH " and resid 332  and name HD1%)
 ASSI { 1148}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "PAH " and resid 332  and name HD1%)
      2.800     1.000     1.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.20095E-02 ppm1      0.538 ppm2      1.003 CV     1
 OR { 1148}
   (( segid "PAH " and resid 372  and name HB2 ))
   (  segid "PAH " and resid 372  and name HD1%)
 ASSI { 1161}
   (( segid "PAH " and resid 332  and name HA  ))
   (  segid "PAH " and resid 332  and name HD1%)
      2.600     0.900     0.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.52651E-02 ppm1      0.548 ppm2      3.862 CV     1
 OR { 1161}
   (( segid "SID " and resid 9    and name HA  ))
   (  segid "PAH " and resid 332  and name HD1%)
 ASSI { 1177}
   (( segid "PAH " and resid 359  and name HA  ))
   (  segid "PAH " and resid 358  and name HG2%)
      4.100     2.100     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.32354E-03 ppm1      0.750 ppm2      3.886 CV     1
 OR { 1177}
   (( segid "PAH " and resid 328  and name HA  ))
   (  segid "PAH " and resid 358  and name HG2%)
 OR { 1177}
   (( segid "PAH " and resid 336  and name HA  ))
   (  segid "PAH " and resid 358  and name HG2%)
 ASSI { 1186}
   (  segid "PAH " and resid 331  and name HG2%)
   (  segid "PAH " and resid 362  and name HG2%)
      3.000     1.100     1.100 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1     -0.331 ppm2      0.806 CV     1
 OR { 1186}
   (  segid "PAH " and resid 358  and name HG1%)
   (  segid "PAH " and resid 362  and name HG2%)
 ASSI { 1195}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 372  and name HD1%)
      2.400     0.700     0.700 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.70335E-02 ppm1      0.551 ppm2      0.775 CV     1
 OR { 1195}
   (  segid "PAH " and resid 314  and name HG2%)
   (  segid "PAH " and resid 372  and name HD1%)
 OR { 1195}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 332  and name HD1%)
 OR { 1195}
   (  segid "SID " and resid 12   and name HD1%)
   (  segid "PAH " and resid 332  and name HD1%)
 ASSI { 1199}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "PAH " and resid 332  and name HD1%)
      3.800     1.800     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.46555E-03 ppm1      0.544 ppm2      3.975 CV     1
 OR { 1199}
   (( segid "PAH " and resid 370  and name HA  ))
   (  segid "PAH " and resid 372  and name HD1%)
 OR { 1199}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "PAH " and resid 332  and name HD1%)
 ASSI { 1202}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 366  and name HA  ))
      4.300     2.300     1.700 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.44278E-03 ppm1      4.916 ppm2      1.896 CV     1
 OR { 1202}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 366  and name HA  ))
 ASSI { 1221}
   (( segid "PAH " and resid 322  and name HG1 ))
   (( segid "PAH " and resid 322  and name HD1 ))
      2.500     0.800     0.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1      3.773 ppm2      2.106 CV     1
 OR { 1221}
   (( segid "PAH " and resid 351  and name HG1 ))
   (( segid "PAH " and resid 351  and name HD1 ))
 OR { 1221}
   (( segid "PAH " and resid 322  and name HG2 ))
   (( segid "PAH " and resid 322  and name HD1 ))
 ASSI { 1226}
   (( segid "PAH " and resid 351  and name HB2 ))
   (( segid "PAH " and resid 351  and name HD2 ))
      3.300     1.400     1.400 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      3.721 ppm2      1.911 CV     1
 OR { 1226}
   (( segid "PAH " and resid 300  and name HB1 ))
   (( segid "PAH " and resid 301  and name HD1 ))
 ASSI { 1238}
   (( segid "PAH " and resid 381  and name HB2 ))
   (( segid "PAH " and resid 381  and name HD2 ))
      2.900     1.100     1.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.31885E-02 ppm1      3.657 ppm2      1.988 CV     1
 OR { 1238}
   (( segid "PAH " and resid 300  and name HB1 ))
   (( segid "PAH " and resid 301  and name HD1 ))
 OR { 1238}
   (( segid "PAH " and resid 381  and name HB2 ))
   (( segid "PAH " and resid 381  and name HD1 ))
 OR { 1238}
   (( segid "PAH " and resid 300  and name HB1 ))
   (( segid "PAH " and resid 301  and name HD2 ))
 ASSI { 1240}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 322  and name HD2 ))
      3.500     1.500     1.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.13129E-02 ppm1      3.487 ppm2      2.471 CV     1
 OR { 1240}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 322  and name HD2 ))
 ASSI { 1250}
   (( segid "PAH " and resid 342  and name HA  ))
   (  segid "PAH " and resid 342  and name HB% )
      2.100     0.500     0.500 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.12928E-01 ppm1      1.463 ppm2      3.921 CV     1
 OR { 1250}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "PAH " and resid 307  and name HB% )
 ASSI { 1258}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 301  and name HD1 ))
      3.400     1.400     1.400 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.13397E-02 ppm1      3.661 ppm2      2.225 CV     1
 OR { 1258}
   (( segid "PAH " and resid 355  and name HB1 ))
   (( segid "PAH " and resid 381  and name HD2 ))
 ASSI { 1267}
   (( segid "PAH " and resid 327  and name HN  ))
   (  segid "PAH " and resid 327  and name HB% )
      3.500     3.500     2.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.63770E-03 ppm1      1.526 ppm2      0.004 CV     1
 OR { 1267}
   (( segid "PAH " and resid 360  and name HN  ))
   (  segid "PAH " and resid 360  and name HB% )
 OR { 1267}
   (( segid "PAH " and resid 361  and name HN  ))
   (  segid "PAH " and resid 360  and name HB% )
 OR { 1267}
   (( segid "PAH " and resid 328  and name HN  ))
   (  segid "PAH " and resid 327  and name HB% )
 ASSI { 1268}
   (( segid "PAH " and resid 328  and name HA  ))
   (  segid "PAH " and resid 331  and name HG2%)
      3.700     1.700     1.700 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      0.800 ppm2      3.875 CV     1
 OR { 1268}
   (( segid "PAH " and resid 318  and name HB1 ))
   (  segid "PAH " and resid 314  and name HG2%)
 ASSI { 1275}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 331  and name HG2%)
      2.600     0.800     0.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.70335E-02 ppm1      0.794 ppm2      0.524 CV     1
 OR { 1275}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 331  and name HG2%)
 OR { 1275}
   (  segid "PAH " and resid 372  and name HD1%)
   (  segid "PAH " and resid 314  and name HG2%)
 OR { 1275}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 314  and name HG2%)
 ASSI { 1285}
   (( segid "PAH " and resid 305  and name HA  ))
   (  segid "PAH " and resid 308  and name HG2%)
      3.900     1.900     1.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.68325E-03 ppm1      0.892 ppm2      4.355 CV     1
 OR { 1285}
   (( segid "PAH " and resid 312  and name HA  ))
   (  segid "PAH " and resid 308  and name HG2%)
 ASSI { 1287}
   (( segid "PAH " and resid 312  and name HB1 ))
   (  segid "PAH " and resid 308  and name HG2%)
      3.500     1.500     1.500 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.93781E-03 ppm1      0.890 ppm2      2.876 CV     1
 OR { 1287}
   (( segid "PAH " and resid 309  and name HB2 ))
   (  segid "PAH " and resid 308  and name HG2%)
 ASSI { 1291}
   (  segid "PAH " and resid 318  and name HD% )
   (  segid "PAH " and resid 324  and name HG2%)
      3.800     1.800     1.800 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.41866E-03 ppm1     -0.007 ppm2      1.316 CV     1
 OR { 1291}
   (( segid "PAH " and resid 365  and name HB2 ))
   (  segid "PAH " and resid 324  and name HG2%)
 ASSI { 1299}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 328  and name HB2 ))
      2.900     1.000     1.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.19359E-02 ppm1      2.988 ppm2      0.813 CV     1
 OR { 1299}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 335  and name HB2 ))
 ASSI { 1300}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 338  and name HG2 ))
      2.600     0.800     0.800 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.37914E-02 ppm1      2.397 ppm2      4.177 CV     1
 OR { 1300}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HG1 ))
 ASSI { 1305}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 375  and name HB1 ))
      3.800     1.800     1.800 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.51378E-03 ppm1      2.112 ppm2      4.379 CV     1
 OR { 1305}
   (( segid "PAH " and resid 345  and name HA  ))
   (( segid "PAH " and resid 344  and name HB1 ))
 OR { 1305}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 375  and name HB1 ))
 ASSI { 1306}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 375  and name HB2 ))
      3.300     1.400     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.68995E-03 ppm1      1.946 ppm2      4.364 CV     1
 OR { 1306}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 375  and name HB2 ))
 ASSI { 1310}
   (( segid "PAH " and resid 301  and name HA  ))
   (( segid "PAH " and resid 301  and name HG1 ))
      3.600     1.600     1.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      2.082 ppm2      4.521 CV     1
 OR { 1310}
   (( segid "PAH " and resid 301  and name HA  ))
   (( segid "PAH " and resid 301  and name HG2 ))
 OR { 1310}
   (( segid "PAH " and resid 350  and name HA  ))
   (( segid "PAH " and resid 351  and name HG1 ))
 ASSI { 1312}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 381  and name HG2 ))
      3.900     1.900     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.49837E-03 ppm1      2.087 ppm2      4.417 CV     1
 OR { 1312}
   (( segid "PAH " and resid 381  and name HA  ))
   (( segid "PAH " and resid 381  and name HG1 ))
 OR { 1312}
   (( segid "PAH " and resid 351  and name HA  ))
   (( segid "PAH " and resid 351  and name HG1 ))
 ASSI { 1318}
   (  segid "PAH " and resid 372  and name HD1%)
   (( segid "PAH " and resid 313  and name HG1 ))
      3.600     1.700     1.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.42804E-03 ppm1      1.603 ppm2      0.545 CV     1
 OR { 1318}
   (( segid "PAH " and resid 317  and name HG2 ))
   (( segid "PAH " and resid 313  and name HG1 ))
 ASSI { 1330}
   (( segid "SID " and resid 15   and name HA  ))
   (  segid "PAH " and resid 308  and name HG2%)
      4.600     2.700     1.400 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.18756E-03 ppm1      0.891 ppm2      4.127 CV     1
 OR { 1330}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "PAH " and resid 308  and name HG2%)
 ASSI { 1334}
   (  segid "PAH " and resid 332  and name HD2%)
   (  segid "PAH " and resid 329  and name HD2%)
      2.600     0.800     0.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.31483E-02 ppm1      0.607 ppm2      0.398 CV     1
 OR { 1334}
   (  segid "SID " and resid 12   and name HD2%)
   (  segid "PAH " and resid 329  and name HD2%)
 ASSI { 1336}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "PAH " and resid 329  and name HD2%)
      4.500     2.500     1.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.25588E-03 ppm1      0.603 ppm2      4.168 CV     1
 OR { 1336}
   (( segid "PAH " and resid 325  and name HA  ))
   (  segid "PAH " and resid 329  and name HD2%)
 ASSI { 1338}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 353  and name HG  ))
      3.200     1.300     1.300 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.13129E-02 ppm1      1.671 ppm2      0.831 CV     1
 OR { 1338}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 353  and name HG  ))
 ASSI { 1339}
   (( segid "PAH " and resid 331  and name HB  ))
   (  segid "PAH " and resid 362  and name HG1%)
      4.100     2.100     1.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.39789E-03 ppm1      0.493 ppm2      1.822 CV     1
 OR { 1339}
   (( segid "PAH " and resid 369  and name HB2 ))
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI { 1341}
   (( segid "PAH " and resid 328  and name HB1 ))
   (  segid "PAH " and resid 362  and name HG1%)
      4.700     2.800     1.300 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.33024E-03 ppm1      0.504 ppm2      3.435 CV     1
 OR { 1341}
   (( segid "PAH " and resid 358  and name HA  ))
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI { 1342}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 362  and name HG1%)
      2.300     0.700     0.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.72344E-02 ppm1      0.501 ppm2      0.804 CV     1
 OR { 1342}
   (  segid "PAH " and resid 373  and name HD2%)
   (  segid "PAH " and resid 362  and name HG1%)
 OR { 1342}
   (  segid "PAH " and resid 358  and name HG1%)
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI { 1343}
   (  segid "PAH " and resid 331  and name HD1%)
   (  segid "PAH " and resid 362  and name HG1%)
      2.500     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.59416E-02 ppm1      0.501 ppm2      0.747 CV     1
 OR { 1343}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI { 1346}
   (( segid "PAH " and resid 370  and name HA  ))
   (  segid "PAH " and resid 373  and name HD1%)
      3.800     1.800     1.800 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.49837E-03 ppm1      0.936 ppm2      4.002 CV     1
 OR { 1346}
   (( segid "PAH " and resid 295  and name HB2 ))
   (  segid "PAH " and resid 296  and name HD1%)
 OR { 1346}
   (( segid "PAH " and resid 360  and name HA  ))
   (  segid "PAH " and resid 373  and name HD1%)
 OR { 1346}
   (( segid "PAH " and resid 364  and name HA  ))
   (  segid "PAH " and resid 373  and name HD1%)
 ASSI { 1351}
   (( segid "SID " and resid 19   and name HB2 ))
   (  segid "PAH " and resid 311  and name HG2%)
      3.900     1.900     1.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.37713E-03 ppm1      1.151 ppm2      1.994 CV     1
 OR { 1351}
   (( segid "SID " and resid 19   and name HB1 ))
   (  segid "PAH " and resid 311  and name HG2%)
 OR { 1351}
   (( segid "SID " and resid 13   and name HB1 ))
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI { 1354}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 377  and name HA1 ))
      3.600     1.600     1.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.46823E-03 ppm1      4.094 ppm2      0.800 CV     1
 OR { 1354}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 377  and name HA1 ))
 OR { 1354}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 377  and name HA1 ))
 OR { 1354}
   (  segid "SID " and resid 12   and name HD1%)
   (( segid "PAH " and resid 377  and name HA1 ))
 ASSI { 1363}
   (  segid "PAH " and resid 332  and name HD1%)
   (  segid "PAH " and resid 358  and name HG2%)
      2.600     0.900     0.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.41263E-02 ppm1      0.751 ppm2      0.515 CV     1
 OR { 1363}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 358  and name HG2%)
 ASSI { 1366}
   (  segid "PAH " and resid 376  and name HD% )
   (  segid "PAH " and resid 358  and name HG2%)
      3.900     1.900     1.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.40191E-03 ppm1      0.747 ppm2      1.356 CV     1
 OR { 1366}
   (( segid "SID " and resid 9    and name HG12))
   (  segid "PAH " and resid 358  and name HG2%)
 OR { 1366}
   (  segid "PAH " and resid 354  and name HG2%)
   (  segid "PAH " and resid 358  and name HG2%)
 ASSI { 1367}
   (( segid "PAH " and resid 362  and name HB  ))
   (  segid "PAH " and resid 358  and name HG2%)
      3.700     1.700     1.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.32086E-03 ppm1      0.747 ppm2      1.506 CV     1
 OR { 1367}
   (( segid "PAH " and resid 380  and name HB1 ))
   (  segid "PAH " and resid 358  and name HG2%)
 OR { 1367}
   (  segid "PAH " and resid 327  and name HB% )
   (  segid "PAH " and resid 358  and name HG2%)
 ASSI { 1373}
   (( segid "PAH " and resid 355  and name HA  ))
   (  segid "PAH " and resid 380  and name HD2%)
      3.600     1.700     1.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.53789E-03 ppm1      0.761 ppm2      3.723 CV     1
 OR { 1373}
   (( segid "PAH " and resid 324  and name HA  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1373}
   (( segid "PAH " and resid 377  and name HA2 ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1374}
   (( segid "PAH " and resid 328  and name HA  ))
   (  segid "PAH " and resid 365  and name HD2%)
      3.900     1.900     1.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.46354E-03 ppm1      0.765 ppm2      3.902 CV     1
 OR { 1374}
   (( segid "PAH " and resid 361  and name HA  ))
   (  segid "PAH " and resid 365  and name HD2%)
 OR { 1374}
   (( segid "PAH " and resid 359  and name HA  ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI { 1375}
   (( segid "PAH " and resid 355  and name HB2 ))
   (  segid "PAH " and resid 380  and name HD1%)
      4.100     2.100     1.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.50842E-03 ppm1      0.797 ppm2      2.027 CV     1
 OR { 1375}
   (( segid "PAH " and resid 381  and name HG2 ))
   (  segid "PAH " and resid 380  and name HD1%)
 ASSI { 1376}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 373  and name HD2%)
      2.900     1.000     1.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      0.824 ppm2      0.533 CV     1
 OR { 1376}
   (  segid "PAH " and resid 362  and name HG1%)
   (  segid "PAH " and resid 358  and name HG1%)
 ASSI {   15}
   (  segid "SID " and resid 18   and name HD% )
   (  segid "PAH " and resid 308  and name HD1%)
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25796E-02 ppm1      0.489 ppm2     -0.843 CV     1
 OR {   15}
   (  segid "PAH " and resid 304  and name HD% )
   (  segid "PAH " and resid 308  and name HD1%)
 ASSI {   44}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 376  and name HB2 ))
      3.200     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.13861E-02 ppm1      3.373 ppm2     -1.223 CV     1
 OR {   44}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 310  and name HB1 ))
 ASSI {   45}
   (  segid "PAH " and resid 379  and name HE% )
   (( segid "PAH " and resid 310  and name HB2 ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.86631E-03 ppm1      2.932 ppm2     -1.219 CV     1
 OR {   45}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 310  and name HB2 ))
 ASSI {   55}
   (  segid "PAH " and resid 349  and name HE% )
   (( segid "PAH " and resid 341  and name HB2 ))
      3.700     1.700     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.54223E-03 ppm1      2.416 ppm2     -1.169 CV     1
 OR {   55}
   (  segid "PAH " and resid 379  and name HE% )
   (( segid "PAH " and resid 303  and name HG1 ))
 ASSI {   61}
   (  segid "PAH " and resid 325  and name HE% )
   (( segid "PAH " and resid 311  and name HA  ))
      3.800     1.800     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.48319E-03 ppm1      3.396 ppm2     -1.252 CV     1
 OR {   61}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 311  and name HA  ))
 ASSI {   75}
   (  segid "PAH " and resid 328  and name HD% )
   (( segid "PAH " and resid 362  and name HB  ))
      4.200     2.200     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.42223E-03 ppm1      1.497 ppm2     -1.174 CV     1
 OR {   75}
   (  segid "PAH " and resid 359  and name HE% )
   (( segid "PAH " and resid 362  and name HB  ))
 ASSI {   76}
   (  segid "PAH " and resid 376  and name HE% )
   (( segid "PAH " and resid 362  and name HB  ))
      3.300     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.84063E-03 ppm1      1.477 ppm2     -0.901 CV     1
 OR {   76}
   (  segid "PAH " and resid 359  and name HD% )
   (( segid "PAH " and resid 362  and name HB  ))
 ASSI {   84}
   (  segid "PAH " and resid 379  and name HE% )
   (( segid "PAH " and resid 376  and name HA  ))
      3.200     1.300     1.300 peak    84 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      4.368 ppm2     -1.223 CV     1
 OR {   84}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 376  and name HA  ))
 ASSI {   97}
   (  segid "PAH " and resid 318  and name HE% )
   (( segid "PAH " and resid 317  and name HB1 ))
      3.300     1.400     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.88551E-03 ppm1      1.684 ppm2     -1.052 CV     1
 OR {   97}
   (  segid "PAH " and resid 335  and name HD% )
   (( segid "PAH " and resid 353  and name HG  ))
 ASSI {  124}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 311  and name HG1%)
      3.100     1.200     1.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.16363E-02 ppm1      1.229 ppm2     -1.064 CV     1
 OR {  124}
   (  segid "PAH " and resid 310  and name HD% )
   (  segid "PAH " and resid 311  and name HG1%)
 ASSI {  129}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 311  and name HG2%)
      2.600     2.600     3.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.40234E-02 ppm1      1.155 ppm2     -1.253 CV     1
 OR {  129}
   (  segid "PAH " and resid 325  and name HE% )
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI {  131}
   (  segid "PAH " and resid 325  and name HD% )
   (  segid "PAH " and resid 311  and name HG2%)
      3.500     3.500     2.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.52875E-03 ppm1      1.154 ppm2     -0.940 CV     1
 OR {  131}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 311  and name HG2%)
 OR {  131}
   (  segid "PAH " and resid 304  and name HE% )
   (  segid "PAH " and resid 311  and name HG2%)
 ASSI {  135}
   (  segid "PAH " and resid 335  and name HE% )
   (  segid "PAH " and resid 358  and name HG1%)
      3.300     1.400     1.400 peak   135 spectrum    1 weight  0.10000E+01 volume  0.15657E-02 ppm1      0.829 ppm2     -1.251 CV     1
 OR {  135}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 373  and name HD2%)
 ASSI {  137}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 365  and name HD2%)
      3.200     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.15401E-02 ppm1      0.777 ppm2     -1.192 CV     1
 OR {  137}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 380  and name HD2%)
 ASSI {  142}
   (  segid "PAH " and resid 376  and name HE% )
   (  segid "PAH " and resid 362  and name HG1%)
      2.900     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.14117E-02 ppm1      0.502 ppm2     -0.908 CV     1
 OR {  142}
   (  segid "PAH " and resid 359  and name HD% )
   (  segid "PAH " and resid 362  and name HG1%)
 ASSI {  163}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 362  and name HG2%)
      2.800     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1     -0.330 ppm2     -1.177 CV     1
 OR {  163}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 362  and name HG2%)
 ASSI {  174}
   (  segid "PAH " and resid 318  and name HE% )
   (  segid "PAH " and resid 314  and name HG2%)
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1      0.789 ppm2     -1.079 CV     1
 OR {  174}
   (  segid "PAH " and resid 335  and name HD% )
   (  segid "PAH " and resid 331  and name HG2%)
 OR {  174}
   (  segid "PAH " and resid 328  and name HE% )
   (  segid "PAH " and resid 314  and name HG2%)
 ASSI {  175}
   (  segid "PAH " and resid 325  and name HE% )
   (  segid "PAH " and resid 314  and name HG2%)
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.30031E-02 ppm1      0.788 ppm2     -1.248 CV     1
 OR {  175}
   (  segid "PAH " and resid 310  and name HE% )
   (  segid "PAH " and resid 314  and name HG2%)
 ASSI {  177}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 314  and name HG2%)
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.32148E-02 ppm1      0.791 ppm2     -1.175 CV     1
 OR {  177}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 331  and name HG2%)
 ASSI {  180}
   (  segid "SID " and resid 18   and name HD% )
   (  segid "PAH " and resid 308  and name HG2%)
      3.400     1.400     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.11358E-02 ppm1      0.898 ppm2     -0.842 CV     1
 OR {  180}
   (  segid "PAH " and resid 304  and name HD% )
   (  segid "PAH " and resid 308  and name HG2%)
 ASSI {  192}
   (( segid "PAH " and resid 379  and name HZ  ))
   (( segid "PAH " and resid 310  and name HB1 ))
      3.500     1.600     1.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.47678E-03 ppm1      3.373 ppm2     -1.395 CV     1
 OR {  192}
   (  segid "PAH " and resid 366  and name HD% )
   (( segid "PAH " and resid 376  and name HB2 ))
 ASSI {  193}
   (( segid "PAH " and resid 376  and name HZ  ))
   (  segid "PAH " and resid 380  and name HD1%)
      3.100     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.13989E-02 ppm1      0.798 ppm2     -1.170 CV     1
 OR {  193}
   (  segid "PAH " and resid 328  and name HD% )
   (  segid "PAH " and resid 365  and name HD1%)
 ASSI {    8}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      7.170 ppm2      4.079 CV     1
 OR {    8}
   (  segid "SID " and resid 18   and name HD% )
   (( segid "SID " and resid 15   and name HA  ))
 ASSI {   11}
   (( segid "SID " and resid 7    and name HA  ))
   (  segid "SID " and resid 7    and name HE% )
      3.200     1.300     1.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.24355E-02 ppm1      4.571 ppm2      1.841 CV     1
 OR {   11}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 6    and name HB2 ))
 OR {   11}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 6    and name HB1 ))
 ASSI {   16}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 7    and name HB1 ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.26058E-02 ppm1      4.571 ppm2      2.249 CV     1
 OR {   16}
   (( segid "SID " and resid 7    and name HA  ))
   (( segid "SID " and resid 11   and name HB2 ))
 ASSI {   24}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 14   and name HB1 ))
      2.900     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.32615E-02 ppm1      4.306 ppm2      2.394 CV     1
 OR {   24}
   (( segid "SID " and resid 6    and name HA  ))
   (( segid "SID " and resid 7    and name HG2 ))
 ASSI {   25}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.57991E-02 ppm1      4.306 ppm2      2.273 CV     1
 OR {   25}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 14   and name HB2 ))
 ASSI {   30}
   (( segid "SID " and resid 20   and name HA  ))
   (( segid "SID " and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.94523E-02 ppm1      4.251 ppm2      2.276 CV     1
 OR {   30}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 14   and name HB2 ))
 ASSI {   31}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.82513E-02 ppm1      4.252 ppm2      2.401 CV     1
 OR {   31}
   (( segid "SID " and resid 20   and name HA  ))
   (( segid "SID " and resid 20   and name HG2 ))
 ASSI {   33}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 14   and name HG1 ))
      3.100     1.200     1.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.19501E-02 ppm1      4.261 ppm2      2.667 CV     1
 OR {   33}
   (( segid "SID " and resid 14   and name HA  ))
   (( segid "SID " and resid 14   and name HG2 ))
 OR {   33}
   (( segid "SID " and resid 11   and name HA  ))
   (( segid "SID " and resid 11   and name HG2 ))
 ASSI {   45}
   (( segid "SID " and resid 16   and name HA  ))
   (  segid "SID " and resid 16   and name HB% )
      2.100     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.15073E-01 ppm1      4.160 ppm2      1.649 CV     1
 OR {   45}
   (( segid "SID " and resid 21   and name HA  ))
   (( segid "SID " and resid 21   and name HG2 ))
 ASSI {   48}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 13   and name HB1 ))
      2.500     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.52883E-02 ppm1      3.988 ppm2      1.976 CV     1
 OR {   48}
   (( segid "SID " and resid 13   and name HA  ))
   (( segid "SID " and resid 13   and name HB1 ))
 ASSI {   57}
   (( segid "SID " and resid 13   and name HA  ))
   (( segid "SID " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.52201E-02 ppm1      3.982 ppm2      1.501 CV     1
 OR {   57}
   (( segid "SID " and resid 10   and name HA  ))
   (( segid "SID " and resid 13   and name HB2 ))
 ASSI {   60}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 9    and name HG12))
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.28527E-02 ppm1      3.830 ppm2      1.334 CV     1
 OR {   60}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 12   and name HB2 ))
 ASSI {   61}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 12   and name HG  ))
      3.200     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      3.830 ppm2      1.564 CV     1
 OR {   61}
   (( segid "SID " and resid 9    and name HA  ))
   (( segid "SID " and resid 13   and name HG  ))
 ASSI {   66}
   (( segid "SID " and resid 13   and name HA  ))
   (  segid "SID " and resid 13   and name HD1%)
      2.800     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.35084E-02 ppm1      3.980 ppm2      0.643 CV     1
 OR {   66}
   (( segid "SID " and resid 10   and name HA  ))
   (  segid "SID " and resid 13   and name HD1%)
 ASSI {   81}
   (( segid "SID " and resid 9    and name HG11))
   (  segid "SID " and resid 9    and name HD1%)
      2.200     0.600     0.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10049E-01 ppm1      1.600 ppm2      0.645 CV     1
 OR {   81}
   (( segid "SID " and resid 13   and name HG  ))
   (  segid "SID " and resid 13   and name HD1%)
 ASSI {   91}
   (( segid "SID " and resid 13   and name HB1 ))
   (( segid "SID " and resid 13   and name HG  ))
      1.900     0.500     0.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.26909E-01 ppm1      1.978 ppm2      1.614 CV     1
 OR {   91}
   (( segid "SID " and resid 19   and name HB2 ))
   (( segid "SID " and resid 19   and name HG  ))
 OR {   91}
   (( segid "SID " and resid 19   and name HB1 ))
   (( segid "SID " and resid 19   and name HG  ))
 ASSI {   95}
   (( segid "SID " and resid 8    and name HA  ))
   (( segid "SID " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.65060E-03 ppm1      5.285 ppm2      2.267 CV     1
 OR {   95}
   (( segid "SID " and resid 8    and name HA  ))
   (( segid "SID " and resid 7    and name HB1 ))
 ASSI {  100}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "SID " and resid 9    and name HD1%)
      2.200     0.600     0.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.10815E-01 ppm1      0.997 ppm2      0.631 CV     1
 OR {  100}
   (  segid "SID " and resid 9    and name HG2%)
   (  segid "SID " and resid 13   and name HD1%)
 ASSI {  110}
   (( segid "SID " and resid 13   and name HA  ))
   (( segid "SID " and resid 13   and name HG  ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.37639E-02 ppm1      3.979 ppm2      1.588 CV     1
 OR {  110}
   (( segid "SID " and resid 12   and name HA  ))
   (( segid "SID " and resid 12   and name HG  ))
 ASSI {  114}
   (( segid "SID " and resid 12   and name HA  ))
   (( segid "SID " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.49476E-02 ppm1      3.954 ppm2      1.282 CV     1
 OR {  114}
   (( segid "SID " and resid 12   and name HA  ))
   (  segid "SID " and resid 15   and name HB% )
 ASSI {    9}
   (( segid "PAH " and resid 298  and name HB2 ))
   (( segid "PAH " and resid 299  and name HN  ))
      2.900     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      8.280 ppm2      2.753 CV     1
 OR {    9}
   (( segid "PAH " and resid 299  and name HB2 ))
   (( segid "PAH " and resid 299  and name HN  ))
 OR {    9}
   (( segid "PAH " and resid 298  and name HB1 ))
   (( segid "PAH " and resid 299  and name HN  ))
 ASSI {   22}
   (( segid "PAH " and resid 302  and name HB  ))
   (( segid "PAH " and resid 302  and name HN  ))
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.65192E-02 ppm1      8.378 ppm2      2.061 CV     1
 OR {   22}
   (( segid "PAH " and resid 301  and name HB2 ))
   (( segid "PAH " and resid 302  and name HN  ))
 ASSI {   32}
   (  segid "SID " and resid 11   and name HE% )
   (( segid "PAH " and resid 303  and name HN  ))
      3.900     1.900     1.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.60968E-03 ppm1      8.844 ppm2      2.215 CV     1
 OR {   32}
   (( segid "PAH " and resid 300  and name HG2 ))
   (( segid "PAH " and resid 303  and name HN  ))
 ASSI {   33}
   (( segid "PAH " and resid 303  and name HB2 ))
   (( segid "PAH " and resid 303  and name HN  ))
      2.400     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.66511E-02 ppm1      8.844 ppm2      2.070 CV     1
 OR {   33}
   (( segid "PAH " and resid 302  and name HB  ))
   (( segid "PAH " and resid 303  and name HN  ))
 OR {   33}
   (( segid "PAH " and resid 303  and name HB1 ))
   (( segid "PAH " and resid 303  and name HN  ))
 ASSI {   55}
   (( segid "PAH " and resid 303  and name HB2 ))
   (( segid "PAH " and resid 305  and name HN  ))
      4.200     2.200     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.34047E-03 ppm1      8.233 ppm2      2.072 CV     1
 OR {   55}
   (( segid "PAH " and resid 303  and name HB1 ))
   (( segid "PAH " and resid 305  and name HN  ))
 OR {   55}
   (( segid "PAH " and resid 302  and name HB  ))
   (( segid "PAH " and resid 305  and name HN  ))
 OR {   55}
   (( segid "PAH " and resid 301  and name HB2 ))
   (( segid "PAH " and resid 305  and name HN  ))
 ASSI {   56}
   (( segid "PAH " and resid 307  and name HN  ))
   (( segid "PAH " and resid 306  and name HN  ))
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      8.052 ppm2      8.220 CV     1
 OR {   56}
   (( segid "PAH " and resid 305  and name HN  ))
   (( segid "PAH " and resid 306  and name HN  ))
 ASSI {   70}
   (( segid "PAH " and resid 309  and name HN  ))
   (( segid "PAH " and resid 308  and name HN  ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      8.282 ppm2      8.042 CV     1
 OR {   70}
   (( segid "PAH " and resid 298  and name HN  ))
   (( segid "PAH " and resid 299  and name HN  ))
 ASSI {   95}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 310  and name HN  ))
      2.900     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23042E-02 ppm1      8.355 ppm2      4.436 CV     1
 OR {   95}
   (( segid "PAH " and resid 309  and name HA  ))
   (( segid "PAH " and resid 310  and name HN  ))
 ASSI {   99}
   (( segid "PAH " and resid 310  and name HB2 ))
   (( segid "PAH " and resid 310  and name HN  ))
      2.500     0.800     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.54898E-02 ppm1      8.355 ppm2      2.903 CV     1
 OR {   99}
   (( segid "PAH " and resid 309  and name HB2 ))
   (( segid "PAH " and resid 310  and name HN  ))
 ASSI {  104}
   (( segid "PAH " and resid 307  and name HA  ))
   (( segid "PAH " and resid 311  and name HN  ))
      3.800     1.800     1.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.64135E-03 ppm1      8.523 ppm2      4.155 CV     1
 OR {  104}
   (( segid "SID " and resid 16   and name HA  ))
   (( segid "PAH " and resid 311  and name HN  ))
 ASSI {  106}
   (( segid "PAH " and resid 310  and name HB1 ))
   (( segid "PAH " and resid 311  and name HN  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.27185E-02 ppm1      8.520 ppm2      3.383 CV     1
 OR {  106}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 311  and name HN  ))
 ASSI {  112}
   (( segid "PAH " and resid 309  and name HA  ))
   (( segid "PAH " and resid 312  and name HN  ))
      3.600     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.67831E-03 ppm1      8.476 ppm2      4.445 CV     1
 OR {  112}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 312  and name HN  ))
 ASSI {  115}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 312  and name HN  ))
      3.500     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.77065E-03 ppm1      8.481 ppm2      3.379 CV     1
 OR {  115}
   (( segid "PAH " and resid 310  and name HB1 ))
   (( segid "PAH " and resid 312  and name HN  ))
 ASSI {  123}
   (( segid "PAH " and resid 310  and name HA  ))
   (( segid "PAH " and resid 313  and name HN  ))
      3.100     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.15994E-02 ppm1      7.813 ppm2      4.437 CV     1
 OR {  123}
   (( segid "PAH " and resid 309  and name HA  ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  124}
   (( segid "PAH " and resid 313  and name HA  ))
   (( segid "PAH " and resid 313  and name HN  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.42229E-02 ppm1      7.810 ppm2      3.943 CV     1
 OR {  124}
   (( segid "PAH " and resid 342  and name HA  ))
   (( segid "PAH " and resid 345  and name HN  ))
 ASSI {  125}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 313  and name HN  ))
      3.800     1.800     1.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.51994E-03 ppm1      7.811 ppm2      3.391 CV     1
 OR {  125}
   (( segid "PAH " and resid 310  and name HB1 ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  128}
   (( segid "PAH " and resid 314  and name HG11))
   (( segid "PAH " and resid 313  and name HN  ))
      4.200     2.200     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.54634E-03 ppm1      7.813 ppm2      1.166 CV     1
 OR {  128}
   (( segid "PAH " and resid 313  and name HG2 ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  130}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 313  and name HN  ))
      3.500     1.500     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      7.815 ppm2      1.582 CV     1
 OR {  130}
   (( segid "PAH " and resid 315  and name HB1 ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  133}
   (( segid "PAH " and resid 311  and name HA  ))
   (( segid "PAH " and resid 314  and name HN  ))
      3.300     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      7.710 ppm2      3.388 CV     1
 OR {  133}
   (( segid "PAH " and resid 376  and name HB2 ))
   (( segid "PAH " and resid 375  and name HN  ))
 ASSI {  136}
   (( segid "PAH " and resid 313  and name HB1 ))
   (( segid "PAH " and resid 314  and name HN  ))
      2.300     0.600     0.600 peak   136 spectrum    1 weight  0.10000E+01 volume  0.70470E-02 ppm1      7.710 ppm2      1.945 CV     1
 OR {  136}
   (( segid "PAH " and resid 375  and name HB2 ))
   (( segid "PAH " and resid 375  and name HN  ))
 OR {  136}
   (( segid "PAH " and resid 313  and name HB2 ))
   (( segid "PAH " and resid 314  and name HN  ))
 ASSI {  141}
   (( segid "PAH " and resid 313  and name HG1 ))
   (( segid "PAH " and resid 314  and name HN  ))
      3.900     1.900     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.67039E-03 ppm1      7.704 ppm2      1.579 CV     1
 OR {  141}
   (( segid "PAH " and resid 372  and name HG  ))
   (( segid "PAH " and resid 375  and name HN  ))
 ASSI {  149}
   (( segid "PAH " and resid 315  and name HA  ))
   (( segid "PAH " and resid 315  and name HN  ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      8.346 ppm2      3.152 CV     1
 OR {  149}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 315  and name HN  ))
 ASSI {  165}
   (( segid "PAH " and resid 315  and name HA  ))
   (( segid "PAH " and resid 316  and name HN  ))
      3.300     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1      8.102 ppm2      3.161 CV     1
 OR {  165}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 316  and name HN  ))
 ASSI {  174}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 317  and name HN  ))
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.78651E-03 ppm1      8.127 ppm2      3.140 CV     1
 OR {  174}
   (( segid "PAH " and resid 317  and name HD1 ))
   (( segid "PAH " and resid 317  and name HN  ))
 ASSI {  188}
   (( segid "PAH " and resid 314  and name HA  ))
   (( segid "PAH " and resid 318  and name HN  ))
      3.100     1.200     1.200 peak   188 spectrum    1 weight  0.10000E+01 volume  0.14384E-02 ppm1      7.322 ppm2      3.147 CV     1
 OR {  188}
   (( segid "PAH " and resid 315  and name HA  ))
   (( segid "PAH " and resid 318  and name HN  ))
 ASSI {  198}
   (( segid "PAH " and resid 317  and name HA  ))
   (( segid "PAH " and resid 319  and name HN  ))
      3.600     1.600     1.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.83401E-03 ppm1      7.222 ppm2      3.845 CV     1
 OR {  198}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 319  and name HN  ))
 OR {  198}
   (( segid "PAH " and resid 320  and name HA2 ))
   (( segid "PAH " and resid 319  and name HN  ))
 ASSI {  199}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 319  and name HN  ))
      3.200     1.300     1.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.23886E-02 ppm1      7.223 ppm2      2.440 CV     1
 OR {  199}
   (( segid "PAH " and resid 319  and name HG1 ))
   (( segid "PAH " and resid 319  and name HN  ))
 OR {  199}
   (( segid "PAH " and resid 319  and name HG2 ))
   (( segid "PAH " and resid 319  and name HN  ))
 ASSI {  205}
   (( segid "PAH " and resid 320  and name HA1 ))
   (( segid "PAH " and resid 320  and name HN  ))
      2.600     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.37214E-02 ppm1      8.890 ppm2      4.232 CV     1
 OR {  205}
   (( segid "PAH " and resid 352  and name HA  ))
   (( segid "PAH " and resid 352  and name HN  ))
 ASSI {  207}
   (( segid "PAH " and resid 319  and name HG1 ))
   (( segid "PAH " and resid 320  and name HN  ))
      3.100     1.200     1.200 peak   207 spectrum    1 weight  0.10000E+01 volume  0.18818E-02 ppm1      8.890 ppm2      2.433 CV     1
 OR {  207}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 352  and name HN  ))
 OR {  207}
   (( segid "PAH " and resid 319  and name HG2 ))
   (( segid "PAH " and resid 320  and name HN  ))
 ASSI {  208}
   (( segid "PAH " and resid 319  and name HB1 ))
   (( segid "PAH " and resid 320  and name HN  ))
      3.100     1.200     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      8.881 ppm2      2.240 CV     1
 OR {  208}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 352  and name HN  ))
 ASSI {  209}
   (( segid "PAH " and resid 319  and name HB2 ))
   (( segid "PAH " and resid 320  and name HN  ))
      3.700     1.700     1.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13434E-02 ppm1      8.886 ppm2      2.086 CV     1
 OR {  209}
   (( segid "PAH " and resid 351  and name HG1 ))
   (( segid "PAH " and resid 352  and name HN  ))
 ASSI {  217}
   (( segid "PAH " and resid 318  and name HB1 ))
   (( segid "PAH " and resid 321  and name HN  ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.17419E-02 ppm1      7.772 ppm2      3.852 CV     1
 OR {  217}
   (( segid "PAH " and resid 320  and name HA2 ))
   (( segid "PAH " and resid 321  and name HN  ))
 ASSI {  219}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 321  and name HN  ))
      3.300     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.15915E-02 ppm1      7.777 ppm2      2.463 CV     1
 OR {  219}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 321  and name HN  ))
 ASSI {  231}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 323  and name HN  ))
      3.900     1.900     1.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.60441E-03 ppm1      9.037 ppm2      2.451 CV     1
 OR {  231}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 323  and name HN  ))
 ASSI {  238}
   (( segid "PAH " and resid 326  and name HN  ))
   (( segid "PAH " and resid 324  and name HN  ))
      3.500     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.75486E-03 ppm1      8.047 ppm2      7.923 CV     1
 OR {  238}
   (( segid "PAH " and resid 327  and name HN  ))
   (( segid "PAH " and resid 324  and name HN  ))
 ASSI {  242}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 373  and name HN  ))
      3.100     1.200     1.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.13725E-02 ppm1      8.052 ppm2      4.400 CV     1
 OR {  242}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 324  and name HN  ))
 ASSI {  247}
   (( segid "PAH " and resid 321  and name HG1 ))
   (( segid "PAH " and resid 324  and name HN  ))
      4.000     2.000     2.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.57801E-03 ppm1      8.049 ppm2      2.461 CV     1
 OR {  247}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 324  and name HN  ))
 OR {  247}
   (( segid "PAH " and resid 370  and name HG2 ))
   (( segid "PAH " and resid 373  and name HN  ))
 OR {  247}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 324  and name HN  ))
 ASSI {  263}
   (( segid "PAH " and resid 318  and name HB2 ))
   (( segid "PAH " and resid 325  and name HN  ))
      3.800     1.800     1.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.57537E-03 ppm1      6.992 ppm2      2.441 CV     1
 OR {  263}
   (( segid "PAH " and resid 322  and name HB1 ))
   (( segid "PAH " and resid 325  and name HN  ))
 ASSI {  264}
   (( segid "PAH " and resid 322  and name HB2 ))
   (( segid "PAH " and resid 325  and name HN  ))
      4.100     2.100     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.42229E-03 ppm1      6.986 ppm2      2.155 CV     1
 OR {  264}
   (( segid "PAH " and resid 321  and name HB2 ))
   (( segid "PAH " and resid 325  and name HN  ))
 ASSI {  268}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 325  and name HN  ))
      3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.86041E-03 ppm1      6.983 ppm2      0.751 CV     1
 OR {  268}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 325  and name HN  ))
 ASSI {  277}
   (( segid "PAH " and resid 326  and name HG1 ))
   (( segid "PAH " and resid 326  and name HN  ))
      3.200     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.23015E-02 ppm1      7.942 ppm2      1.628 CV     1
 OR {  277}
   (( segid "PAH " and resid 324  and name HB  ))
   (( segid "PAH " and resid 326  and name HN  ))
 ASSI {  283}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 327  and name HN  ))
      2.900     1.000     1.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.23147E-02 ppm1      7.950 ppm2      3.717 CV     1
 OR {  283}
   (( segid "PAH " and resid 324  and name HA  ))
   (( segid "PAH " and resid 327  and name HN  ))
 ASSI {  291}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 328  and name HN  ))
      3.500     1.600     1.600 peak   291 spectrum    1 weight  0.10000E+01 volume  0.78913E-03 ppm1      8.112 ppm2      4.099 CV     1
 OR {  291}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  292}
   (( segid "PAH " and resid 328  and name HA  ))
   (( segid "PAH " and resid 328  and name HN  ))
      2.700     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.30352E-02 ppm1      8.112 ppm2      3.877 CV     1
 OR {  292}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  293}
   (( segid "PAH " and resid 324  and name HA  ))
   (( segid "PAH " and resid 328  and name HN  ))
      4.000     2.000     2.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.35367E-03 ppm1      8.115 ppm2      3.720 CV     1
 OR {  293}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 328  and name HN  ))
 ASSI {  297}
   (( segid "PAH " and resid 330  and name HN  ))
   (( segid "PAH " and resid 329  and name HN  ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.45397E-02 ppm1      7.724 ppm2      8.123 CV     1
 OR {  297}
   (( segid "PAH " and resid 328  and name HN  ))
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  300}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
      4.100     2.100     1.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.38798E-03 ppm1      7.726 ppm2      4.106 CV     1
 OR {  300}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  303}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 329  and name HN  ))
      2.300     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.50939E-02 ppm1      7.727 ppm2      3.434 CV     1
 OR {  303}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  309}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 327  and name HN  ))
      3.500     1.500     1.500 peak   309 spectrum    1 weight  0.10000E+01 volume  0.69414E-03 ppm1      7.950 ppm2      0.771 CV     1
 OR {  309}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 327  and name HN  ))
 OR {  309}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 327  and name HN  ))
 ASSI {  310}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 328  and name HN  ))
      2.800     1.000     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      8.109 ppm2      0.771 CV     1
 OR {  310}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 328  and name HN  ))
 OR {  310}
   (  segid "PAH " and resid 324  and name HD1%)
   (( segid "PAH " and resid 328  and name HN  ))
 ASSI {  311}
   (  segid "PAH " and resid 314  and name HG2%)
   (( segid "PAH " and resid 329  and name HN  ))
      4.100     2.100     1.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.28241E-03 ppm1      7.725 ppm2      0.778 CV     1
 OR {  311}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 329  and name HN  ))
 OR {  311}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 329  and name HN  ))
 ASSI {  315}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 330  and name HN  ))
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.46716E-02 ppm1      8.132 ppm2      4.112 CV     1
 OR {  315}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  316}
   (( segid "PAH " and resid 366  and name HB1 ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.500     1.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.69150E-03 ppm1      8.139 ppm2      3.739 CV     1
 OR {  316}
   (( segid "PAH " and resid 326  and name HA  ))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  317}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 330  and name HN  ))
      3.500     1.500     1.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.86572E-03 ppm1      8.132 ppm2      3.429 CV     1
 OR {  317}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  318}
   (( segid "PAH " and resid 369  and name HG2 ))
   (( segid "PAH " and resid 369  and name HN  ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.22249E-02 ppm1      8.136 ppm2      2.273 CV     1
 OR {  318}
   (( segid "PAH " and resid 330  and name HG1 ))
   (( segid "PAH " and resid 330  and name HN  ))
 OR {  318}
   (( segid "PAH " and resid 330  and name HG2 ))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  320}
   (( segid "PAH " and resid 329  and name HB1 ))
   (( segid "PAH " and resid 330  and name HN  ))
      3.000     1.100     1.100 peak   320 spectrum    1 weight  0.10000E+01 volume  0.34311E-02 ppm1      8.132 ppm2      1.756 CV     1
 OR {  320}
   (( segid "PAH " and resid 331  and name HG11))
   (( segid "PAH " and resid 330  and name HN  ))
 ASSI {  326}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 331  and name HN  ))
      3.200     1.300     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.12537E-02 ppm1      7.857 ppm2      4.113 CV     1
 OR {  326}
   (( segid "PAH " and resid 327  and name HA  ))
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  329}
   (( segid "PAH " and resid 329  and name HA  ))
   (( segid "PAH " and resid 331  and name HN  ))
      5.100     3.300     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.73108E-04 ppm1      7.853 ppm2      3.423 CV     1
 OR {  329}
   (( segid "PAH " and resid 328  and name HB1 ))
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  336}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 331  and name HN  ))
      3.900     1.900     1.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.27977E-03 ppm1      7.852 ppm2      0.528 CV     1
 OR {  336}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 331  and name HN  ))
 ASSI {  347}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 332  and name HN  ))
      3.200     1.300     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.21405E-02 ppm1      7.224 ppm2      0.532 CV     1
 OR {  347}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 332  and name HN  ))
 ASSI {  361}
   (  segid "SID " and resid 13   and name HD1%)
   (( segid "PAH " and resid 333  and name HN  ))
      3.800     1.800     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      8.861 ppm2      0.621 CV     1
 OR {  361}
   (  segid "PAH " and resid 329  and name HD2%)
   (( segid "PAH " and resid 333  and name HN  ))
 ASSI {  362}
   (  segid "SID " and resid 13   and name HD2%)
   (( segid "PAH " and resid 333  and name HN  ))
      3.400     1.500     1.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.10979E-02 ppm1      8.859 ppm2      0.522 CV     1
 OR {  362}
   (  segid "PAH " and resid 332  and name HD1%)
   (( segid "PAH " and resid 333  and name HN  ))
 ASSI {  368}
   (( segid "PAH " and resid 330  and name HA  ))
   (( segid "PAH " and resid 334  and name HN  ))
      3.900     1.900     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.54370E-03 ppm1      8.612 ppm2      4.105 CV     1
 OR {  368}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 334  and name HN  ))
 ASSI {  398}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 336  and name HN  ))
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.53314E-03 ppm1      8.423 ppm2      1.938 CV     1
 OR {  398}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 336  and name HN  ))
 ASSI {  403}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
      2.600     0.900     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.35631E-02 ppm1      8.156 ppm2      3.966 CV     1
 OR {  403}
   (( segid "PAH " and resid 334  and name HA  ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  406}
   (( segid "PAH " and resid 336  and name HG1 ))
   (( segid "PAH " and resid 337  and name HN  ))
      4.200     2.200     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.44077E-03 ppm1      8.151 ppm2      2.423 CV     1
 OR {  406}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 337  and name HN  ))
 ASSI {  413}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 338  and name HN  ))
      2.500     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.51994E-02 ppm1      8.060 ppm2      4.161 CV     1
 OR {  413}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  413}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  415}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 338  and name HN  ))
      2.800     1.000     1.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      8.063 ppm2      2.408 CV     1
 OR {  415}
   (( segid "PAH " and resid 344  and name HG1 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  415}
   (( segid "PAH " and resid 338  and name HG2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  416}
   (( segid "PAH " and resid 338  and name HB1 ))
   (( segid "PAH " and resid 338  and name HN  ))
      2.200     0.600     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.91585E-02 ppm1      8.063 ppm2      2.218 CV     1
 OR {  416}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 338  and name HN  ))
 OR {  416}
   (( segid "PAH " and resid 338  and name HB2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  417}
   (( segid "PAH " and resid 339  and name HA  ))
   (( segid "PAH " and resid 339  and name HN  ))
      2.600     0.800     0.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.45132E-02 ppm1      8.058 ppm2      3.895 CV     1
 OR {  417}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  418}
   (( segid "PAH " and resid 339  and name HB1 ))
   (( segid "PAH " and resid 339  and name HN  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.64663E-02 ppm1      8.060 ppm2      2.008 CV     1
 OR {  418}
   (( segid "PAH " and resid 344  and name HB2 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  418}
   (( segid "PAH " and resid 337  and name HB1 ))
   (( segid "PAH " and resid 338  and name HN  ))
 ASSI {  419}
   (( segid "PAH " and resid 339  and name HG2 ))
   (( segid "PAH " and resid 339  and name HN  ))
      2.200     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11481E-01 ppm1      8.057 ppm2      1.911 CV     1
 OR {  419}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 OR {  419}
   (( segid "PAH " and resid 343  and name HB2 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  419}
   (( segid "PAH " and resid 343  and name HB1 ))
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  423}
   (( segid "PAH " and resid 339  and name HA  ))
   (( segid "PAH " and resid 340  and name HN  ))
      3.100     1.200     1.200 peak   423 spectrum    1 weight  0.10000E+01 volume  0.14490E-02 ppm1      8.004 ppm2      3.883 CV     1
 OR {  423}
   (( segid "PAH " and resid 336  and name HA  ))
   (( segid "PAH " and resid 340  and name HN  ))
 ASSI {  426}
   (( segid "PAH " and resid 340  and name HB2 ))
   (( segid "PAH " and resid 340  and name HN  ))
      2.100     0.600     0.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.12986E-01 ppm1      8.004 ppm2      1.898 CV     1
 OR {  426}
   (( segid "PAH " and resid 340  and name HB1 ))
   (( segid "PAH " and resid 340  and name HN  ))
 OR {  426}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 340  and name HN  ))
 ASSI {  434}
   (( segid "PAH " and resid 337  and name HA  ))
   (( segid "PAH " and resid 341  and name HN  ))
      3.700     1.700     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.59121E-03 ppm1      8.291 ppm2      3.948 CV     1
 OR {  434}
   (( segid "PAH " and resid 342  and name HA  ))
   (( segid "PAH " and resid 341  and name HN  ))
 ASSI {  440}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 341  and name HN  ))
      4.100     2.100     1.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.47244E-03 ppm1      8.291 ppm2      1.456 CV     1
 OR {  440}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 341  and name HN  ))
 ASSI {  462}
   (( segid "PAH " and resid 345  and name HN  ))
   (( segid "PAH " and resid 344  and name HN  ))
      2.300     0.700     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.66247E-02 ppm1      8.042 ppm2      7.784 CV     1
 OR {  462}
   (( segid "PAH " and resid 343  and name HN  ))
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  463}
   (( segid "PAH " and resid 341  and name HA  ))
   (( segid "PAH " and resid 344  and name HN  ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13302E-02 ppm1      8.041 ppm2      4.316 CV     1
 OR {  463}
   (( segid "PAH " and resid 305  and name HA  ))
   (( segid "PAH " and resid 306  and name HN  ))
 ASSI {  464}
   (( segid "PAH " and resid 338  and name HA  ))
   (( segid "PAH " and resid 338  and name HN  ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.52787E-02 ppm1      8.042 ppm2      4.146 CV     1
 OR {  464}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  464}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  465}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 338  and name HN  ))
      4.600     2.600     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.14859E-03 ppm1      8.046 ppm2      4.038 CV     1
 OR {  465}
   (( segid "PAH " and resid 340  and name HA  ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  465}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  466}
   (( segid "PAH " and resid 344  and name HG1 ))
   (( segid "PAH " and resid 344  and name HN  ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.24493E-02 ppm1      8.039 ppm2      2.381 CV     1
 OR {  466}
   (( segid "PAH " and resid 361  and name HG2 ))
   (( segid "PAH " and resid 360  and name HN  ))
 OR {  466}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  466}
   (( segid "PAH " and resid 341  and name HB2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  469}
   (( segid "PAH " and resid 344  and name HB2 ))
   (( segid "PAH " and resid 344  and name HN  ))
      2.200     0.600     0.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.10716E-01 ppm1      8.040 ppm2      1.948 CV     1
 OR {  469}
   (( segid "PAH " and resid 339  and name HG2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 OR {  469}
   (( segid "PAH " and resid 339  and name HB2 ))
   (( segid "PAH " and resid 339  and name HN  ))
 OR {  469}
   (( segid "PAH " and resid 337  and name HB2 ))
   (( segid "PAH " and resid 338  and name HN  ))
 OR {  469}
   (( segid "PAH " and resid 343  and name HB1 ))
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  470}
   (( segid "PAH " and resid 337  and name HG1 ))
   (( segid "PAH " and resid 338  and name HN  ))
      4.400     2.400     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.27449E-03 ppm1      8.044 ppm2      1.570 CV     1
 OR {  470}
   (( segid "PAH " and resid 343  and name HG1 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  470}
   (( segid "PAH " and resid 340  and name HG2 ))
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  471}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 338  and name HN  ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.89206E-03 ppm1      8.039 ppm2      1.441 CV     1
 OR {  471}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  471}
   (( segid "PAH " and resid 343  and name HG2 ))
   (( segid "PAH " and resid 344  and name HN  ))
 OR {  471}
   (  segid "PAH " and resid 307  and name HB% )
   (( segid "PAH " and resid 306  and name HN  ))
 OR {  471}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 344  and name HN  ))
 ASSI {  472}
   (( segid "PAH " and resid 344  and name HN  ))
   (( segid "PAH " and resid 345  and name HN  ))
      2.400     0.700     0.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.60177E-02 ppm1      7.805 ppm2      8.042 CV     1
 OR {  472}
   (( segid "PAH " and resid 346  and name HN  ))
   (( segid "PAH " and resid 345  and name HN  ))
 ASSI {  473}
   (( segid "PAH " and resid 345  and name HA  ))
   (( segid "PAH " and resid 345  and name HN  ))
      2.600     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.45924E-02 ppm1      7.805 ppm2      4.341 CV     1
 OR {  473}
   (( segid "PAH " and resid 312  and name HA  ))
   (( segid "PAH " and resid 313  and name HN  ))
 ASSI {  474}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 345  and name HN  ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.30616E-02 ppm1      7.804 ppm2      4.148 CV     1
 OR {  474}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 345  and name HN  ))
 ASSI {  480}
   (( segid "PAH " and resid 343  and name HA  ))
   (( segid "PAH " and resid 346  and name HN  ))
      3.700     1.700     1.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.55954E-03 ppm1      8.033 ppm2      4.144 CV     1
 OR {  480}
   (( segid "PAH " and resid 344  and name HA  ))
   (( segid "PAH " and resid 346  and name HN  ))
 ASSI {  485}
   (( segid "PAH " and resid 347  and name HA2 ))
   (( segid "PAH " and resid 347  and name HN  ))
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.60705E-02 ppm1      8.254 ppm2      3.894 CV     1
 OR {  485}
   (( segid "PAH " and resid 346  and name HA2 ))
   (( segid "PAH " and resid 347  and name HN  ))
 ASSI {  486}
   (( segid "PAH " and resid 347  and name HA1 ))
   (( segid "PAH " and resid 347  and name HN  ))
      2.400     0.700     0.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.59384E-02 ppm1      8.253 ppm2      4.068 CV     1
 OR {  486}
   (( segid "PAH " and resid 346  and name HA1 ))
   (( segid "PAH " and resid 347  and name HN  ))
 ASSI {  488}
   (( segid "PAH " and resid 347  and name HN  ))
   (( segid "PAH " and resid 348  and name HN  ))
      3.400     1.400     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.99499E-03 ppm1      8.099 ppm2      8.260 CV     1
 OR {  488}
   (( segid "PAH " and resid 341  and name HN  ))
   (( segid "PAH " and resid 339  and name HN  ))
 ASSI {  490}
   (( segid "PAH " and resid 347  and name HA1 ))
   (( segid "PAH " and resid 348  and name HN  ))
      2.800     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.26921E-02 ppm1      8.101 ppm2      4.069 CV     1
 OR {  490}
   (( segid "PAH " and resid 335  and name HA  ))
   (( segid "PAH " and resid 338  and name HN  ))
 ASSI {  494}
   (( segid "PAH " and resid 337  and name HG2 ))
   (( segid "PAH " and resid 338  and name HN  ))
      3.800     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.45661E-03 ppm1      8.100 ppm2      1.452 CV     1
 OR {  494}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 348  and name HN  ))
 ASSI {  498}
   (( segid "PAH " and resid 347  and name HA2 ))
   (( segid "PAH " and resid 349  and name HN  ))
      3.800     1.800     1.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.68622E-03 ppm1      7.927 ppm2      3.909 CV     1
 OR {  498}
   (( segid "PAH " and resid 342  and name HA  ))
   (( segid "PAH " and resid 349  and name HN  ))
 ASSI {  500}
   (( segid "PAH " and resid 349  and name HB2 ))
   (( segid "PAH " and resid 349  and name HN  ))
      2.600     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.48300E-02 ppm1      7.920 ppm2      2.774 CV     1
 OR {  500}
   (( segid "PAH " and resid 348  and name HB2 ))
   (( segid "PAH " and resid 349  and name HN  ))
 ASSI {  501}
   (  segid "PAH " and resid 345  and name HB% )
   (( segid "PAH " and resid 349  and name HN  ))
      3.500     1.500     1.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12246E-02 ppm1      7.920 ppm2      1.447 CV     1
 OR {  501}
   (  segid "PAH " and resid 342  and name HB% )
   (( segid "PAH " and resid 349  and name HN  ))
 ASSI {  503}
   (( segid "PAH " and resid 349  and name HA  ))
   (( segid "PAH " and resid 350  and name HN  ))
      2.200     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.11982E-01 ppm1      7.997 ppm2      4.526 CV     1
 OR {  503}
   (( segid "PAH " and resid 350  and name HA  ))
   (( segid "PAH " and resid 350  and name HN  ))
 ASSI {  555}
   (( segid "PAH " and resid 355  and name HG2 ))
   (( segid "PAH " and resid 356  and name HN  ))
      4.300     2.400     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.46980E-03 ppm1      8.393 ppm2      2.368 CV     1
 OR {  555}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 356  and name HN  ))
 ASSI {  569}
   (( segid "PAH " and resid 357  and name HB2 ))
   (( segid "PAH " and resid 357  and name HN  ))
      2.300     0.600     0.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.68095E-02 ppm1      7.748 ppm2      2.098 CV     1
 OR {  569}
   (( segid "PAH " and resid 356  and name HB2 ))
   (( segid "PAH " and resid 357  and name HN  ))
 ASSI {  570}
   (  segid "PAH " and resid 360  and name HB% )
   (( segid "PAH " and resid 357  and name HN  ))
      3.400     1.400     1.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.65455E-03 ppm1      7.746 ppm2      1.551 CV     1
 OR {  570}
   (( segid "PAH " and resid 353  and name HB2 ))
   (( segid "PAH " and resid 357  and name HN  ))
 ASSI {  573}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 357  and name HN  ))
      4.000     2.000     2.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.59384E-03 ppm1      7.748 ppm2      0.814 CV     1
 OR {  573}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 357  and name HN  ))
 ASSI {  578}
   (( segid "PAH " and resid 355  and name HA  ))
   (( segid "PAH " and resid 358  and name HN  ))
      3.100     1.200     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      8.249 ppm2      3.710 CV     1
 OR {  578}
   (( segid "PAH " and resid 301  and name HD1 ))
   (( segid "PAH " and resid 300  and name HN  ))
 ASSI {  580}
   (( segid "PAH " and resid 357  and name HB1 ))
   (( segid "PAH " and resid 358  and name HN  ))
      2.700     0.900     0.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      8.250 ppm2      2.327 CV     1
 OR {  580}
   (( segid "PAH " and resid 300  and name HG1 ))
   (( segid "PAH " and resid 300  and name HN  ))
 ASSI {  582}
   (( segid "PAH " and resid 355  and name HB2 ))
   (( segid "PAH " and resid 358  and name HN  ))
      3.000     3.000     3.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      8.250 ppm2      2.047 CV     1
 OR {  582}
   (( segid "PAH " and resid 301  and name HG1 ))
   (( segid "PAH " and resid 300  and name HN  ))
 OR {  582}
   (( segid "PAH " and resid 301  and name HG2 ))
   (( segid "PAH " and resid 300  and name HN  ))
 OR {  582}
   (( segid "PAH " and resid 361  and name HB2 ))
   (( segid "PAH " and resid 358  and name HN  ))
 ASSI {  601}
   (( segid "PAH " and resid 361  and name HN  ))
   (( segid "PAH " and resid 360  and name HN  ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.50675E-02 ppm1      8.006 ppm2      8.214 CV     1
 OR {  601}
   (( segid "PAH " and resid 359  and name HN  ))
   (( segid "PAH " and resid 360  and name HN  ))
 ASSI {  624}
   (  segid "PAH " and resid 358  and name HG2%)
   (( segid "PAH " and resid 361  and name HN  ))
      3.800     1.800     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.95542E-03 ppm1      8.185 ppm2      0.743 CV     1
 OR {  624}
   (  segid "PAH " and resid 331  and name HD1%)
   (( segid "PAH " and resid 361  and name HN  ))
 ASSI {  654}
   (( segid "PAH " and resid 364  and name HG2 ))
   (( segid "PAH " and resid 364  and name HN  ))
      3.600     1.600     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.89475E-03 ppm1      7.173 ppm2      1.569 CV     1
 OR {  654}
   (  segid "PAH " and resid 360  and name HB% )
   (( segid "PAH " and resid 364  and name HN  ))
 ASSI {  657}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 364  and name HN  ))
      4.000     2.000     2.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.22513E-03 ppm1      7.175 ppm2      0.792 CV     1
 OR {  657}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 364  and name HN  ))
 OR {  657}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 364  and name HN  ))
 OR {  657}
   (  segid "PAH " and resid 358  and name HG1%)
   (( segid "PAH " and resid 364  and name HN  ))
 ASSI {  672}
   (( segid "PAH " and resid 365  and name HA  ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17763E-02 ppm1      8.310 ppm2      4.030 CV     1
 OR {  672}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 366  and name HN  ))
 ASSI {  676}
   (( segid "PAH " and resid 364  and name HB1 ))
   (( segid "PAH " and resid 366  and name HN  ))
      3.300     1.400     1.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11534E-02 ppm1      8.316 ppm2      1.862 CV     1
 OR {  676}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 366  and name HN  ))
 OR {  676}
   (( segid "PAH " and resid 364  and name HB2 ))
   (( segid "PAH " and resid 366  and name HN  ))
 ASSI {  685}
   (( segid "PAH " and resid 365  and name HA  ))
   (( segid "PAH " and resid 365  and name HN  ))
      2.700     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      7.432 ppm2      4.025 CV     1
 OR {  685}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 365  and name HN  ))
 ASSI {  687}
   (( segid "PAH " and resid 360  and name HA  ))
   (( segid "PAH " and resid 363  and name HN  ))
      3.000     1.100     1.100 peak   687 spectrum    1 weight  0.10000E+01 volume  0.21748E-02 ppm1      8.734 ppm2      4.040 CV     1
 OR {  687}
   (( segid "PAH " and resid 364  and name HA  ))
   (( segid "PAH " and resid 363  and name HN  ))
 ASSI {  696}
   (  segid "PAH " and resid 365  and name HD2%)
   (( segid "PAH " and resid 366  and name HN  ))
      2.900     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      8.316 ppm2      0.775 CV     1
 OR {  696}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 366  and name HN  ))
 OR {  696}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 366  and name HN  ))
 ASSI {  704}
   (( segid "PAH " and resid 367  and name HB2 ))
   (( segid "PAH " and resid 368  and name HN  ))
      3.800     1.800     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.74432E-03 ppm1      9.024 ppm2      1.874 CV     1
 OR {  704}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 368  and name HN  ))
 ASSI {  718}
   (( segid "PAH " and resid 369  and name HN  ))
   (( segid "PAH " and resid 370  and name HN  ))
      3.300     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      8.711 ppm2      8.175 CV     1
 OR {  718}
   (( segid "PAH " and resid 361  and name HN  ))
   (( segid "PAH " and resid 363  and name HN  ))
 ASSI {  740}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 372  and name HN  ))
      2.500     0.800     0.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.49355E-02 ppm1      7.751 ppm2      4.377 CV     1
 OR {  740}
   (( segid "PAH " and resid 371  and name HA  ))
   (( segid "PAH " and resid 372  and name HN  ))
 OR {  740}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 375  and name HN  ))
 OR {  740}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 375  and name HN  ))
 ASSI {  750}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 373  and name HN  ))
      2.700     0.900     0.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.30088E-02 ppm1      8.023 ppm2      4.399 CV     1
 OR {  750}
   (( segid "PAH " and resid 323  and name HA  ))
   (( segid "PAH " and resid 324  and name HN  ))
 OR {  750}
   (( segid "PAH " and resid 372  and name HA  ))
   (( segid "PAH " and resid 373  and name HN  ))
 ASSI {  751}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 373  and name HN  ))
      4.500     2.600     1.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.22909E-03 ppm1      8.017 ppm2      4.081 CV     1
 OR {  751}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 373  and name HN  ))
 OR {  751}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 373  and name HN  ))
 ASSI {  755}
   (( segid "PAH " and resid 373  and name HG  ))
   (( segid "PAH " and resid 373  and name HN  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.17288E-02 ppm1      8.021 ppm2      1.873 CV     1
 OR {  755}
   (( segid "PAH " and resid 369  and name HB1 ))
   (( segid "PAH " and resid 373  and name HN  ))
 ASSI {  757}
   (( segid "PAH " and resid 324  and name HB  ))
   (( segid "PAH " and resid 324  and name HN  ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.32463E-02 ppm1      8.022 ppm2      1.611 CV     1
 OR {  757}
   (( segid "PAH " and resid 372  and name HB1 ))
   (( segid "PAH " and resid 373  and name HN  ))
 ASSI {  771}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 375  and name HN  ))
      4.000     2.000     2.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.67039E-03 ppm1      7.741 ppm2      6.780 CV     1
 OR {  771}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 372  and name HN  ))
 ASSI {  772}
   (( segid "PAH " and resid 374  and name HB1 ))
   (( segid "PAH " and resid 375  and name HN  ))
      2.500     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.56481E-02 ppm1      7.738 ppm2      4.089 CV     1
 OR {  772}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 375  and name HN  ))
 OR {  772}
   (( segid "PAH " and resid 374  and name HB2 ))
   (( segid "PAH " and resid 375  and name HN  ))
 ASSI {  776}
   (  segid "PAH " and resid 376  and name HD% )
   (( segid "PAH " and resid 377  and name HN  ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.65983E-03 ppm1      7.807 ppm2      7.395 CV     1
 OR {  776}
   (  segid "PAH " and resid 376  and name HD% )
   (( segid "PAH " and resid 376  and name HN  ))
 ASSI {  777}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 376  and name HN  ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.54106E-03 ppm1      7.808 ppm2      6.774 CV     1
 OR {  777}
   (  segid "PAH " and resid 310  and name HE% )
   (( segid "PAH " and resid 377  and name HN  ))
 ASSI {  778}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 376  and name HN  ))
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.98975E-03 ppm1      7.806 ppm2      4.431 CV     1
 OR {  778}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 377  and name HN  ))
 ASSI {  779}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 376  and name HN  ))
      2.700     0.900     0.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.34311E-02 ppm1      7.805 ppm2      4.351 CV     1
 OR {  779}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 377  and name HN  ))
 OR {  779}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 377  and name HN  ))
 ASSI {  783}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 376  and name HN  ))
      3.300     1.400     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      7.803 ppm2      2.111 CV     1
 OR {  783}
   (( segid "PAH " and resid 378  and name HG2 ))
   (( segid "PAH " and resid 377  and name HN  ))
 OR {  783}
   (( segid "PAH " and resid 375  and name HB1 ))
   (( segid "PAH " and resid 377  and name HN  ))
 ASSI {  788}
   (( segid "PAH " and resid 377  and name HA1 ))
   (( segid "PAH " and resid 377  and name HN  ))
      2.200     0.600     0.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.88420E-02 ppm1      7.821 ppm2      4.092 CV     1
 OR {  788}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 376  and name HN  ))
 OR {  788}
   (( segid "PAH " and resid 376  and name HB1 ))
   (( segid "PAH " and resid 377  and name HN  ))
 ASSI {  795}
   (( segid "PAH " and resid 377  and name HA1 ))
   (( segid "PAH " and resid 378  and name HN  ))
      2.800     1.000     1.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.27185E-02 ppm1      7.511 ppm2      4.099 CV     1
 OR {  795}
   (( segid "PAH " and resid 375  and name HA  ))
   (( segid "PAH " and resid 378  and name HN  ))
 ASSI {  798}
   (( segid "PAH " and resid 376  and name HA  ))
   (( segid "PAH " and resid 378  and name HN  ))
      4.800     2.900     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.12246E-03 ppm1      7.511 ppm2      4.352 CV     1
 OR {  798}
   (( segid "PAH " and resid 374  and name HA  ))
   (( segid "PAH " and resid 378  and name HN  ))
 ASSI {  820}
   (( segid "PAH " and resid 379  and name HA  ))
   (( segid "PAH " and resid 380  and name HN  ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.17446E-02 ppm1      6.967 ppm2      4.119 CV     1
 OR {  820}
   (( segid "PAH " and resid 377  and name HA1 ))
   (( segid "PAH " and resid 380  and name HN  ))
 ASSI {  848}
   (  segid "PAH " and resid 331  and name HG2%)
   (( segid "PAH " and resid 362  and name HN  ))
      3.400     1.500     1.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.89475E-03 ppm1      8.404 ppm2      0.790 CV     1
 OR {  848}
   (  segid "PAH " and resid 365  and name HD1%)
   (( segid "PAH " and resid 362  and name HN  ))
 ASSI {  850}
   (( segid "PAH " and resid 373  and name HA  ))
   (( segid "PAH " and resid 374  and name HN  ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      8.547 ppm2      4.415 CV     1
 OR {  850}
   (( segid "PAH " and resid 371  and name HA  ))
   (( segid "PAH " and resid 374  and name HN  ))
 ASSI {  851}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 377  and name HN  ))
      4.200     2.200     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.30352E-03 ppm1      7.824 ppm2      0.792 CV     1
 OR {  851}
   (  segid "PAH " and resid 380  and name HD1%)
   (( segid "PAH " and resid 377  and name HN  ))
 OR {  851}
   (  segid "PAH " and resid 373  and name HD2%)
   (( segid "PAH " and resid 376  and name HN  ))
 OR {  851}
   (  segid "SID " and resid 12   and name HD1%)
   (( segid "PAH " and resid 376  and name HN  ))
 OR {  851}
   (  segid "SID " and resid 12   and name HD1%)
   (( segid "PAH " and resid 377  and name HN  ))
assign (resid 302 and name O and segid PAH ) (resid 306 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 302 and name O and segid PAH ) (resid 306 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 303 and name O and segid PAH ) (resid 307 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 303 and name O and segid PAH ) (resid 307 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 304 and name O and segid PAH ) (resid 308 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 304 and name O and segid PAH ) (resid 308 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 305 and name O and segid PAH ) (resid 309 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 305 and name O and segid PAH ) (resid 309 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 306 and name O and segid PAH ) (resid 310 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 306 and name O and segid PAH ) (resid 310 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 307 and name O and segid PAH ) (resid 311 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 307 and name O and segid PAH ) (resid 311 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 308 and name O and segid PAH ) (resid 312 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 308 and name O and segid PAH ) (resid 312 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 309 and name O and segid PAH ) (resid 313 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 309 and name O and segid PAH ) (resid 313 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 310 and name O and segid PAH ) (resid 314 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 310 and name O and segid PAH ) (resid 314 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 311 and name O and segid PAH ) (resid 315 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 311 and name O and segid PAH ) (resid 315 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 312 and name O and segid PAH ) (resid 316 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 312 and name O and segid PAH ) (resid 316 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 313 and name O and segid PAH ) (resid 317 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 313 and name O and segid PAH ) (resid 317 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 322 and name O and segid PAH ) (resid 326 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 322 and name O and segid PAH ) (resid 326 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 323 and name O and segid PAH ) (resid 327 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 323 and name O and segid PAH ) (resid 327 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 324 and name O and segid PAH ) (resid 328 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 324 and name O and segid PAH ) (resid 328 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 325 and name O and segid PAH ) (resid 329 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 325 and name O and segid PAH ) (resid 329 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 326 and name O and segid PAH ) (resid 330 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 326 and name O and segid PAH ) (resid 330 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 327 and name O and segid PAH ) (resid 331 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 327 and name O and segid PAH ) (resid 331 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 328 and name O and segid PAH ) (resid 332 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 328 and name O and segid PAH ) (resid 332 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 329 and name O and segid PAH ) (resid 333 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 329 and name O and segid PAH ) (resid 333 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 330 and name O and segid PAH ) (resid 334 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 330 and name O and segid PAH ) (resid 334 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 331 and name O and segid PAH ) (resid 335 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 331 and name O and segid PAH ) (resid 335 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 332 and name O and segid PAH ) (resid 336 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 332 and name O and segid PAH ) (resid 336 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 333 and name O and segid PAH ) (resid 337 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 333 and name O and segid PAH ) (resid 337 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 334 and name O and segid PAH ) (resid 338 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 334 and name O and segid PAH ) (resid 338 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 335 and name O and segid PAH ) (resid 339 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 335 and name O and segid PAH ) (resid 339 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 336 and name O and segid PAH ) (resid 340 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 336 and name O and segid PAH ) (resid 340 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 337 and name O and segid PAH ) (resid 341 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 337 and name O and segid PAH ) (resid 341 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 338 and name O and segid PAH ) (resid 342 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 338 and name O and segid PAH ) (resid 342 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 339 and name O and segid PAH ) (resid 343 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 339 and name O and segid PAH ) (resid 343 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 340 and name O and segid PAH ) (resid 344 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 340 and name O and segid PAH ) (resid 344 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 341 and name O and segid PAH ) (resid 345 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 341 and name O and segid PAH ) (resid 345 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 355 and name O and segid PAH ) (resid 359 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 355 and name O and segid PAH ) (resid 359 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 356 and name O and segid PAH ) (resid 360 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 356 and name O and segid PAH ) (resid 360 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 357 and name O and segid PAH ) (resid 361 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 357 and name O and segid PAH ) (resid 361 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 358 and name O and segid PAH ) (resid 362 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 358 and name O and segid PAH ) (resid 362 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 359 and name O and segid PAH ) (resid 363 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 359 and name O and segid PAH ) (resid 363 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 360 and name O and segid PAH ) (resid 364 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 360 and name O and segid PAH ) (resid 364 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 361 and name O and segid PAH ) (resid 365 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 361 and name O and segid PAH ) (resid 365 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 370 and name O and segid PAH ) (resid 374 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 370 and name O and segid PAH ) (resid 374 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 371 and name O and segid PAH ) (resid 375 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 371 and name O and segid PAH ) (resid 375 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 372 and name O and segid PAH ) (resid 376 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 372 and name O and segid PAH ) (resid 376 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 373 and name O and segid PAH ) (resid 377 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 373 and name O and segid PAH ) (resid 377 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid 374 and name O and segid PAH ) (resid 378 and name HN and segid PAH ) 1.90 0.20 0.20
assign (resid 374 and name O and segid PAH ) (resid 378 and name N  and segid PAH ) 2.90 0.20 0.20
assign (resid  9 and name O and segid SID ) (resid 13 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid  9 and name O and segid SID ) (resid 13 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 10 and name O and segid SID ) (resid 14 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 10 and name O and segid SID ) (resid 14 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 11 and name O and segid SID ) (resid 15 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 11 and name O and segid SID ) (resid 15 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 12 and name O and segid SID ) (resid 16 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 12 and name O and segid SID ) (resid 16 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 13 and name O and segid SID ) (resid 17 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 13 and name O and segid SID ) (resid 17 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 14 and name O and segid SID ) (resid 18 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 14 and name O and segid SID ) (resid 18 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 15 and name O and segid SID ) (resid 19 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 15 and name O and segid SID ) (resid 19 and name N  and segid SID ) 2.90 0.20 0.20
assign (resid 16 and name O and segid SID ) (resid 20 and name HN and segid SID ) 1.90 0.20 0.20
assign (resid 16 and name O and segid SID ) (resid 20 and name N  and segid SID ) 2.90 0.20 0.20

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   6          1H        ARG   6  -9.261   9.425   4.565
    2   2H    ARG   6          2H        ARG   6 -10.633   8.930   3.708
    3   3H    ARG   6          3H        ARG   6  -9.300   9.558   2.877
    4    HA   ARG   6           HA       ARG   6  -9.338   7.035   4.426
    5   1HB   ARG   6          1HB       ARG   6 -10.626   6.892   2.341
    6   2HB   ARG   6          2HB       ARG   6  -9.251   7.516   1.440
    7   1HG   ARG   6          1HG       ARG   6  -7.956   5.547   1.987
    8   2HG   ARG   6          2HG       ARG   6  -9.278   4.929   2.980
    9   1HD   ARG   6          1HD       ARG   6  -9.412   5.460   0.014
   10   2HD   ARG   6          2HD       ARG   6  -9.210   3.875   0.761
   11    HE   ARG   6           HE       ARG   6 -11.515   5.098   1.803
   12   1HH1  ARG   6          1HH1      ARG   6 -10.327   3.691  -1.154
   13   2HH1  ARG   6          2HH1      ARG   6 -11.895   3.204  -1.703
   14   1HH2  ARG   6          1HH2      ARG   6 -13.583   4.460   1.089
   15   2HH2  ARG   6          2HH2      ARG   6 -13.746   3.642  -0.429
   16    H    MET   7           H        MET   7  -7.415   6.671   5.277
   17    HA   MET   7           HA       MET   7  -5.024   7.257   3.685
   18   1HB   MET   7          1HB       MET   7  -4.107   7.739   6.207
   19   2HB   MET   7          2HB       MET   7  -4.590   8.984   5.064
   20   1HG   MET   7          1HG       MET   7  -5.607   9.463   7.158
   21   2HG   MET   7          2HG       MET   7  -6.868   8.923   6.053
   22   1HE   MET   7          1HE       MET   7  -4.894   8.037   9.424
   23   2HE   MET   7          2HE       MET   7  -4.137   7.143   8.105
   24   3HE   MET   7          3HE       MET   7  -5.037   6.279   9.353
   25    H    ASN   8           H        ASN   8  -4.515   5.168   3.228
   26    HA   ASN   8           HA       ASN   8  -3.285   3.605   5.251
   27   1HB   ASN   8          1HB       ASN   8  -4.813   1.642   5.118
   28   2HB   ASN   8          2HB       ASN   8  -5.550   3.047   5.882
   29   1HD2  ASN   8          1HD2      ASN   8  -6.900   4.412   4.494
   30   2HD2  ASN   8          2HD2      ASN   8  -7.843   3.653   3.261
   31    H    ILE   9           H        ILE   9  -4.914   3.382   2.093
   32    HA   ILE   9           HA       ILE   9  -2.505   2.040   1.054
   33    HB   ILE   9           HB       ILE   9  -5.363   1.450   0.272
   34   1HG1  ILE   9          1HG1      ILE   9  -4.742   0.475   2.439
   35   2HG1  ILE   9          2HG1      ILE   9  -4.941  -0.776   1.217
   36   1HG2  ILE   9          1HG2      ILE   9  -4.373  -0.323  -1.135
   37   2HG2  ILE   9          2HG2      ILE   9  -2.771   0.312  -0.761
   38   3HG2  ILE   9          3HG2      ILE   9  -3.924   1.301  -1.656
   39   1HD1  ILE   9          1HD1      ILE   9  -3.022  -1.213   2.637
   40   2HD1  ILE   9          2HD1      ILE   9  -2.319   0.339   2.184
   41   3HD1  ILE   9          3HD1      ILE   9  -2.523  -0.925   0.971
   42    H    GLN  10           H        GLN  10  -5.369   3.972   0.218
   43    HA   GLN  10           HA       GLN  10  -4.682   4.635  -2.394
   44   1HB   GLN  10          1HB       GLN  10  -6.879   5.107  -1.364
   45   2HB   GLN  10          2HB       GLN  10  -6.138   6.365  -0.386
   46   1HG   GLN  10          1HG       GLN  10  -5.587   7.627  -2.383
   47   2HG   GLN  10          2HG       GLN  10  -6.260   6.349  -3.394
   48   1HE2  GLN  10          1HE2      GLN  10  -7.759   7.731  -4.324
   49   2HE2  GLN  10          2HE2      GLN  10  -9.142   8.309  -3.465
   50    H    MET  11           H        MET  11  -3.588   5.976   0.649
   51    HA   MET  11           HA       MET  11  -2.378   8.316  -0.328
   52   1HB   MET  11          1HB       MET  11  -2.794   7.988   2.045
   53   2HB   MET  11          2HB       MET  11  -1.689   6.622   2.079
   54   1HG   MET  11          1HG       MET  11   0.176   8.103   1.560
   55   2HG   MET  11          2HG       MET  11  -0.927   9.476   1.498
   56   1HE   MET  11          1HE       MET  11  -2.906   8.889   3.876
   57   2HE   MET  11          2HE       MET  11  -2.180  10.473   3.602
   58   3HE   MET  11          3HE       MET  11  -2.123   9.742   5.206
   59    H    LEU  12           H        LEU  12  -0.924   5.153   0.447
   60    HA   LEU  12           HA       LEU  12   1.647   5.774  -0.496
   61   1HB   LEU  12          1HB       LEU  12   0.372   3.041  -0.439
   62   2HB   LEU  12          2HB       LEU  12   2.086   3.405  -0.421
   63    HG   LEU  12           HG       LEU  12   0.157   4.100   1.794
   64   1HD1  LEU  12          1HD1      LEU  12   1.246   2.310   3.042
   65   2HD1  LEU  12          2HD1      LEU  12   2.213   1.902   1.624
   66   3HD1  LEU  12          3HD1      LEU  12   0.462   1.689   1.589
   67   1HD2  LEU  12          1HD2      LEU  12   3.163   4.276   1.637
   68   2HD2  LEU  12          2HD2      LEU  12   2.189   4.587   3.073
   69   3HD2  LEU  12          3HD2      LEU  12   2.040   5.635   1.663
   70    H    LEU  13           H        LEU  13  -1.250   4.738  -2.129
   71    HA   LEU  13           HA       LEU  13  -0.080   3.822  -4.526
   72   1HB   LEU  13          1HB       LEU  13  -2.799   4.942  -3.891
   73   2HB   LEU  13          2HB       LEU  13  -2.363   4.417  -5.506
   74    HG   LEU  13           HG       LEU  13  -2.333   2.645  -3.060
   75   1HD1  LEU  13          1HD1      LEU  13  -4.341   2.861  -5.297
   76   2HD1  LEU  13          2HD1      LEU  13  -4.600   3.299  -3.609
   77   3HD1  LEU  13          3HD1      LEU  13  -4.328   1.614  -4.051
   78   1HD2  LEU  13          1HD2      LEU  13  -1.976   2.036  -5.993
   79   2HD2  LEU  13          2HD2      LEU  13  -2.135   0.831  -4.717
   80   3HD2  LEU  13          3HD2      LEU  13  -0.746   1.915  -4.736
   81    H    GLU  14           H        GLU  14  -1.511   6.988  -3.712
   82    HA   GLU  14           HA       GLU  14  -0.864   8.236  -6.149
   83   1HB   GLU  14          1HB       GLU  14  -1.251   9.461  -3.412
   84   2HB   GLU  14          2HB       GLU  14  -1.216  10.359  -4.923
   85   1HG   GLU  14          1HG       GLU  14  -3.239   8.278  -4.127
   86   2HG   GLU  14          2HG       GLU  14  -3.491  10.022  -4.184
   87    H    ALA  15           H        ALA  15   0.918   7.896  -3.129
   88    HA   ALA  15           HA       ALA  15   3.000   9.691  -3.645
   89   1HB   ALA  15          1HB       ALA  15   4.270   8.449  -1.980
   90   2HB   ALA  15          2HB       ALA  15   3.127   7.110  -2.087
   91   3HB   ALA  15          3HB       ALA  15   2.603   8.670  -1.452
   92    H    ALA  16           H        ALA  16   2.805   6.198  -4.304
   93    HA   ALA  16           HA       ALA  16   5.339   5.977  -5.518
   94   1HB   ALA  16          1HB       ALA  16   4.564   3.824  -6.346
   95   2HB   ALA  16          2HB       ALA  16   2.900   4.254  -5.947
   96   3HB   ALA  16          3HB       ALA  16   4.091   4.049  -4.662
   97    H    ASP  17           H        ASP  17   2.118   6.595  -6.853
   98    HA   ASP  17           HA       ASP  17   2.888   6.491  -9.576
   99   1HB   ASP  17          1HB       ASP  17   0.541   6.298  -8.834
  100   2HB   ASP  17          2HB       ASP  17   0.575   7.979  -8.311
  101    H    TYR  18           H        TYR  18   3.143   8.905  -7.124
  102    HA   TYR  18           HA       TYR  18   3.469  11.148  -8.864
  103   1HB   TYR  18          1HB       TYR  18   2.724  11.540  -6.613
  104   2HB   TYR  18          2HB       TYR  18   4.127  10.714  -5.947
  105    HD1  TYR  18           HD1      TYR  18   2.930  13.800  -7.543
  106    HD2  TYR  18           HD2      TYR  18   6.260  11.825  -5.779
  107    HE1  TYR  18           HE1      TYR  18   4.125  15.947  -7.404
  108    HE2  TYR  18           HE2      TYR  18   7.460  13.964  -5.633
  109    HH   TYR  18           HH       TYR  18   7.448  16.159  -6.702
  110    H    LEU  19           H        LEU  19   5.782   9.401  -6.780
  111    HA   LEU  19           HA       LEU  19   8.098  10.618  -7.762
  112   1HB   LEU  19          1HB       LEU  19   7.900   7.786  -6.748
  113   2HB   LEU  19          2HB       LEU  19   9.311   8.826  -6.722
  114    HG   LEU  19           HG       LEU  19   6.793   9.380  -5.161
  115   1HD1  LEU  19          1HD1      LEU  19   9.373   8.122  -4.236
  116   2HD1  LEU  19          2HD1      LEU  19   7.817   7.305  -4.392
  117   3HD1  LEU  19          3HD1      LEU  19   8.022   8.591  -3.204
  118   1HD2  LEU  19          1HD2      LEU  19   8.155  11.350  -5.658
  119   2HD2  LEU  19          2HD2      LEU  19   9.571  10.545  -4.982
  120   3HD2  LEU  19          3HD2      LEU  19   8.208  10.952  -3.941
  121    H    GLU  20           H        GLU  20   6.368   7.747  -8.846
  122    HA   GLU  20           HA       GLU  20   8.263   6.848 -10.723
  123   1HB   GLU  20          1HB       GLU  20   6.399   5.463  -9.917
  124   2HB   GLU  20          2HB       GLU  20   5.259   6.509 -10.752
  125   1HG   GLU  20          1HG       GLU  20   6.179   5.864 -12.890
  126   2HG   GLU  20          2HG       GLU  20   7.412   4.889 -12.092
  127    H    ARG  21           H        ARG  21   5.228   8.637 -11.319
  128    HA   ARG  21           HA       ARG  21   6.525  10.245 -13.343
  129   1HB   ARG  21          1HB       ARG  21   5.909   8.187 -14.574
  130   2HB   ARG  21          2HB       ARG  21   4.233   8.423 -14.100
  131   1HG   ARG  21          1HG       ARG  21   4.176  10.530 -15.339
  132   2HG   ARG  21          2HG       ARG  21   5.859  10.290 -15.816
  133   1HD   ARG  21          1HD       ARG  21   3.539   8.488 -16.505
  134   2HD   ARG  21          2HD       ARG  21   4.336   9.618 -17.599
  135    HE   ARG  21           HE       ARG  21   6.278   7.893 -16.582
  136   1HH1  ARG  21          1HH1      ARG  21   3.458   7.763 -18.630
  137   2HH1  ARG  21          2HH1      ARG  21   4.035   6.417 -19.555
  138   1HH2  ARG  21          1HH2      ARG  21   7.044   6.124 -17.796
  139   2HH2  ARG  21          2HH2      ARG  21   6.075   5.488 -19.083
  140   1H    SER 295          1H        SER 295 -10.219  14.089  -4.649
  141   2H    SER 295          2H        SER 295 -10.340  13.130  -3.261
  142   3H    SER 295          3H        SER 295  -8.842  13.767  -3.720
  143    HA   SER 295           HA       SER 295  -9.604  15.997  -3.312
  144   1HB   SER 295          1HB       SER 295 -11.966  15.650  -3.867
  145   2HB   SER 295          2HB       SER 295 -12.165  14.628  -2.444
  146    HG   SER 295           HG       SER 295 -11.756  16.422  -1.147
  147    H    LEU 296           H        LEU 296  -9.778  12.995  -1.620
  148    HA   LEU 296           HA       LEU 296  -9.184  12.328   0.468
  149   1HB   LEU 296          1HB       LEU 296  -7.481  14.813   0.280
  150   2HB   LEU 296          2HB       LEU 296  -7.324  13.604   1.539
  151    HG   LEU 296           HG       LEU 296  -6.907  11.932  -0.373
  152   1HD1  LEU 296          1HD1      LEU 296  -5.929  12.936  -2.395
  153   2HD1  LEU 296          2HD1      LEU 296  -6.430  14.528  -1.826
  154   3HD1  LEU 296          3HD1      LEU 296  -7.643  13.309  -2.217
  155   1HD2  LEU 296          1HD2      LEU 296  -4.907  14.105   0.235
  156   2HD2  LEU 296          2HD2      LEU 296  -4.527  12.528  -0.456
  157   3HD2  LEU 296          3HD2      LEU 296  -5.180  12.640   1.178
  158    H    GLN 297           H        GLN 297  -8.627  13.563   2.824
  159    HA   GLN 297           HA       GLN 297 -10.762  15.490   3.333
  160   1HB   GLN 297          1HB       GLN 297 -11.750  13.249   3.693
  161   2HB   GLN 297          2HB       GLN 297 -10.491  12.899   4.871
  162   1HG   GLN 297          1HG       GLN 297 -12.558  13.518   5.969
  163   2HG   GLN 297          2HG       GLN 297 -11.300  14.711   6.286
  164   1HE2  GLN 297          1HE2      GLN 297 -14.300  14.065   4.657
  165   2HE2  GLN 297          2HE2      GLN 297 -14.679  15.706   4.272
  166    H    ASN 298           H        ASN 298  -7.768  13.993   4.148
  167    HA   ASN 298           HA       ASN 298  -7.380  15.304   6.660
  168   1HB   ASN 298          1HB       ASN 298  -5.356  14.035   4.801
  169   2HB   ASN 298          2HB       ASN 298  -5.062  14.503   6.473
  170   1HD2  ASN 298          1HD2      ASN 298  -6.669  12.257   4.362
  171   2HD2  ASN 298          2HD2      ASN 298  -7.032  11.074   5.567
  172    H    ASN 299           H        ASN 299  -5.414  16.742   6.984
  173    HA   ASN 299           HA       ASN 299  -4.929  18.548   4.736
  174   1HB   ASN 299          1HB       ASN 299  -5.936  19.452   7.443
  175   2HB   ASN 299          2HB       ASN 299  -5.340  20.528   6.183
  176   1HD2  ASN 299          1HD2      ASN 299  -6.557  20.816   4.307
  177   2HD2  ASN 299          2HD2      ASN 299  -8.233  20.404   4.238
  178    H    GLN 300           H        GLN 300  -3.560  16.561   6.743
  179    HA   GLN 300           HA       GLN 300  -1.425  18.313   7.694
  180   1HB   GLN 300          1HB       GLN 300  -2.173  16.851   9.394
  181   2HB   GLN 300          2HB       GLN 300  -2.201  15.472   8.304
  182   1HG   GLN 300          1HG       GLN 300   0.145  15.341   8.261
  183   2HG   GLN 300          2HG       GLN 300   0.325  16.884   9.092
  184   1HE2  GLN 300          1HE2      GLN 300  -0.402  13.512   9.417
  185   2HE2  GLN 300          2HE2      GLN 300  -0.334  13.447  11.142
  186    HA   PRO 301           HA       PRO 301   0.810  16.982   4.003
  187   1HB   PRO 301          1HB       PRO 301   2.914  18.788   4.912
  188   2HB   PRO 301          2HB       PRO 301   1.911  18.886   3.464
  189   1HG   PRO 301          1HG       PRO 301   1.666  20.617   5.531
  190   2HG   PRO 301          2HG       PRO 301   0.299  20.147   4.504
  191   1HD   PRO 301          1HD       PRO 301   1.044  19.166   7.236
  192   2HD   PRO 301          2HD       PRO 301  -0.559  19.564   6.578
  193    H    VAL 302           H        VAL 302   1.425  16.355   7.195
  194    HA   VAL 302           HA       VAL 302   4.137  15.447   7.012
  195    HB   VAL 302           HB       VAL 302   2.057  14.760   9.094
  196   1HG1  VAL 302          1HG1      VAL 302   3.925  13.204   9.091
  197   2HG1  VAL 302          2HG1      VAL 302   3.986  14.241  10.517
  198   3HG1  VAL 302          3HG1      VAL 302   5.064  14.549   9.155
  199   1HG2  VAL 302          1HG2      VAL 302   2.396  17.169   8.937
  200   2HG2  VAL 302          2HG2      VAL 302   4.140  16.943   9.076
  201   3HG2  VAL 302          3HG2      VAL 302   3.088  16.536  10.431
  202    H    GLU 303           H        GLU 303   0.953  13.897   6.887
  203    HA   GLU 303           HA       GLU 303   1.828  11.234   6.850
  204   1HB   GLU 303          1HB       GLU 303  -0.630  12.459   5.584
  205   2HB   GLU 303          2HB       GLU 303  -0.366  10.734   5.801
  206   1HG   GLU 303          1HG       GLU 303  -0.259  11.088   8.237
  207   2HG   GLU 303          2HG       GLU 303  -0.618  12.794   7.979
  208    H    PHE 304           H        PHE 304   1.325  13.553   4.231
  209    HA   PHE 304           HA       PHE 304   1.739  11.820   2.071
  210   1HB   PHE 304          1HB       PHE 304   0.833  14.116   1.865
  211   2HB   PHE 304          2HB       PHE 304   2.420  14.764   2.259
  212    HD1  PHE 304           HD1      PHE 304   3.940  15.215   0.577
  213    HD2  PHE 304           HD2      PHE 304   0.674  12.605  -0.212
  214    HE1  PHE 304           HE1      PHE 304   4.552  15.177  -1.805
  215    HE2  PHE 304           HE2      PHE 304   1.281  12.559  -2.596
  216    HZ   PHE 304           HZ       PHE 304   3.223  13.847  -3.395
  217    H    ASN 305           H        ASN 305   4.021  13.828   3.898
  218    HA   ASN 305           HA       ASN 305   6.323  13.217   2.426
  219   1HB   ASN 305          1HB       ASN 305   6.243  15.063   4.028
  220   2HB   ASN 305          2HB       ASN 305   6.055  13.924   5.357
  221   1HD2  ASN 305          1HD2      ASN 305   8.163  13.324   2.645
  222   2HD2  ASN 305          2HD2      ASN 305   9.647  13.490   3.512
  223    H    HIS 306           H        HIS 306   4.858  11.619   5.223
  224    HA   HIS 306           HA       HIS 306   6.905   9.720   5.633
  225   1HB   HIS 306          1HB       HIS 306   5.110  10.268   7.285
  226   2HB   HIS 306          2HB       HIS 306   3.961   9.411   6.262
  227    HD1  HIS 306           HD1      HIS 306   4.082   6.834   6.242
  228    HD2  HIS 306           HD2      HIS 306   6.857   8.639   8.754
  229    HE1  HIS 306           HE1      HIS 306   5.003   4.980   7.669
  230    HE2  HIS 306           HE2      HIS 306   6.739   6.082   9.124
  231    H    ALA 307           H        ALA 307   4.057   9.768   3.577
  232    HA   ALA 307           HA       ALA 307   4.049   7.067   2.800
  233   1HB   ALA 307          1HB       ALA 307   2.163   8.564   2.402
  234   2HB   ALA 307          2HB       ALA 307   2.696   7.804   0.902
  235   3HB   ALA 307          3HB       ALA 307   3.126   9.481   1.243
  236    H    ILE 308           H        ILE 308   5.460   9.916   1.188
  237    HA   ILE 308           HA       ILE 308   6.632   8.520  -0.947
  238    HB   ILE 308           HB       ILE 308   7.313  11.171   0.313
  239   1HG1  ILE 308          1HG1      ILE 308   5.985  10.404  -2.297
  240   2HG1  ILE 308          2HG1      ILE 308   5.168  11.028  -0.868
  241   1HG2  ILE 308          1HG2      ILE 308   9.362  10.319  -0.649
  242   2HG2  ILE 308          2HG2      ILE 308   8.725  11.614  -1.662
  243   3HG2  ILE 308          3HG2      ILE 308   8.528   9.932  -2.153
  244   1HD1  ILE 308          1HD1      ILE 308   6.382  13.136  -1.105
  245   2HD1  ILE 308          2HD1      ILE 308   5.434  12.754  -2.543
  246   3HD1  ILE 308          3HD1      ILE 308   7.180  12.507  -2.546
  247    H    ASN 309           H        ASN 309   7.837   9.278   2.284
  248    HA   ASN 309           HA       ASN 309  10.516   8.523   1.864
  249   1HB   ASN 309          1HB       ASN 309   9.679   9.828   3.820
  250   2HB   ASN 309          2HB       ASN 309   8.954   8.351   4.447
  251   1HD2  ASN 309          1HD2      ASN 309  11.895  10.084   3.874
  252   2HD2  ASN 309          2HD2      ASN 309  12.925   9.057   4.806
  253    H    TYR 310           H        TYR 310   7.714   6.672   3.001
  254    HA   TYR 310           HA       TYR 310   9.124   4.277   3.528
  255   1HB   TYR 310          1HB       TYR 310   6.920   4.737   4.488
  256   2HB   TYR 310          2HB       TYR 310   6.200   4.704   2.882
  257    HD1  TYR 310           HD1      TYR 310   5.084   2.783   2.304
  258    HD2  TYR 310           HD2      TYR 310   8.351   2.498   5.015
  259    HE1  TYR 310           HE1      TYR 310   4.684   0.368   2.523
  260    HE2  TYR 310           HE2      TYR 310   7.959   0.080   5.241
  261    HH   TYR 310           HH       TYR 310   5.895  -1.648   3.153
  262    H    VAL 311           H        VAL 311   7.006   5.149   0.787
  263    HA   VAL 311           HA       VAL 311   7.404   2.858  -0.734
  264    HB   VAL 311           HB       VAL 311   6.942   5.666  -1.756
  265   1HG1  VAL 311          1HG1      VAL 311   6.460   2.995  -3.075
  266   2HG1  VAL 311          2HG1      VAL 311   7.698   4.169  -3.521
  267   3HG1  VAL 311          3HG1      VAL 311   5.992   4.563  -3.730
  268   1HG2  VAL 311          1HG2      VAL 311   5.253   4.972  -0.135
  269   2HG2  VAL 311          2HG2      VAL 311   4.975   3.489  -1.048
  270   3HG2  VAL 311          3HG2      VAL 311   4.574   5.053  -1.760
  271    H    ASN 312           H        ASN 312   9.326   5.811  -0.543
  272    HA   ASN 312           HA       ASN 312  11.097   5.165  -2.669
  273   1HB   ASN 312          1HB       ASN 312  10.740   7.466  -1.672
  274   2HB   ASN 312          2HB       ASN 312  11.695   6.937  -0.291
  275   1HD2  ASN 312          1HD2      ASN 312  12.197   9.067  -2.212
  276   2HD2  ASN 312          2HD2      ASN 312  13.734   8.722  -2.921
  277    H    LYS 313           H        LYS 313  11.051   4.520   0.779
  278    HA   LYS 313           HA       LYS 313  13.691   3.584   1.052
  279   1HB   LYS 313          1HB       LYS 313  12.216   4.171   2.957
  280   2HB   LYS 313          2HB       LYS 313  11.243   2.745   2.619
  281   1HG   LYS 313          1HG       LYS 313  13.135   1.307   3.102
  282   2HG   LYS 313          2HG       LYS 313  14.155   2.720   3.382
  283   1HD   LYS 313          1HD       LYS 313  12.732   3.381   5.255
  284   2HD   LYS 313          2HD       LYS 313  11.692   1.985   4.965
  285   1HE   LYS 313          1HE       LYS 313  14.611   1.897   5.720
  286   2HE   LYS 313          2HE       LYS 313  13.256   1.576   6.800
  287   1HZ   LYS 313          1HZ       LYS 313  13.972  -0.003   4.388
  288   2HZ   LYS 313          2HZ       LYS 313  12.639  -0.299   5.387
  289   3HZ   LYS 313          3HZ       LYS 313  14.208  -0.477   5.995
  290    H    ILE 314           H        ILE 314  10.682   1.969   0.162
  291    HA   ILE 314           HA       ILE 314  11.771  -0.662   0.121
  292    HB   ILE 314           HB       ILE 314   9.337   0.416  -1.311
  293   1HG1  ILE 314          1HG1      ILE 314   9.564  -1.040   1.335
  294   2HG1  ILE 314          2HG1      ILE 314   9.258   0.684   1.150
  295   1HG2  ILE 314          1HG2      ILE 314  10.176  -2.420  -0.717
  296   2HG2  ILE 314          2HG2      ILE 314  10.103  -1.656  -2.306
  297   3HG2  ILE 314          3HG2      ILE 314   8.620  -1.938  -1.394
  298   1HD1  ILE 314          1HD1      ILE 314   7.233  -0.630   1.636
  299   2HD1  ILE 314          2HD1      ILE 314   7.457  -1.491   0.114
  300   3HD1  ILE 314          3HD1      ILE 314   7.139   0.244   0.108
  301    H    LYS 315           H        LYS 315  11.115   1.753  -2.393
  302    HA   LYS 315           HA       LYS 315  11.925   0.213  -4.591
  303   1HB   LYS 315          1HB       LYS 315  10.629   2.337  -4.713
  304   2HB   LYS 315          2HB       LYS 315  12.093   3.216  -4.297
  305   1HG   LYS 315          1HG       LYS 315  13.163   2.368  -6.338
  306   2HG   LYS 315          2HG       LYS 315  11.664   1.536  -6.759
  307   1HD   LYS 315          1HD       LYS 315  10.498   3.714  -6.769
  308   2HD   LYS 315          2HD       LYS 315  12.037   4.513  -6.437
  309   1HE   LYS 315          1HE       LYS 315  11.380   2.849  -8.865
  310   2HE   LYS 315          2HE       LYS 315  11.495   4.608  -8.811
  311   1HZ   LYS 315          1HZ       LYS 315  13.834   4.380  -8.191
  312   2HZ   LYS 315          2HZ       LYS 315  13.517   3.653  -9.685
  313   3HZ   LYS 315          3HZ       LYS 315  13.712   2.696  -8.303
  314    H    ASN 316           H        ASN 316  13.749   2.114  -2.287
  315    HA   ASN 316           HA       ASN 316  16.192   1.989  -3.817
  316   1HB   ASN 316          1HB       ASN 316  15.705   3.905  -2.337
  317   2HB   ASN 316          2HB       ASN 316  15.750   2.829  -0.944
  318   1HD2  ASN 316          1HD2      ASN 316  17.606   4.457  -3.373
  319   2HD2  ASN 316          2HD2      ASN 316  19.159   4.179  -2.668
  320    H    ARG 317           H        ARG 317  14.834   0.377  -0.979
  321    HA   ARG 317           HA       ARG 317  17.136  -1.140  -0.342
  322   1HB   ARG 317          1HB       ARG 317  15.338  -0.757   1.273
  323   2HB   ARG 317          2HB       ARG 317  14.223  -1.678   0.272
  324   1HG   ARG 317          1HG       ARG 317  14.949  -3.039   2.105
  325   2HG   ARG 317          2HG       ARG 317  15.630  -3.679   0.609
  326   1HD   ARG 317          1HD       ARG 317  17.759  -2.610   1.098
  327   2HD   ARG 317          2HD       ARG 317  17.083  -1.899   2.564
  328    HE   ARG 317           HE       ARG 317  16.700  -4.586   2.862
  329   1HH1  ARG 317          1HH1      ARG 317  19.460  -2.546   2.259
  330   2HH1  ARG 317          2HH1      ARG 317  20.571  -3.589   3.082
  331   1HH2  ARG 317          1HH2      ARG 317  18.154  -5.967   3.940
  332   2HH2  ARG 317          2HH2      ARG 317  19.829  -5.535   4.037
  333    H    PHE 318           H        PHE 318  14.520  -1.593  -2.596
  334    HA   PHE 318           HA       PHE 318  15.636  -4.218  -3.334
  335   1HB   PHE 318          1HB       PHE 318  12.814  -3.171  -3.597
  336   2HB   PHE 318          2HB       PHE 318  13.373  -4.665  -4.341
  337    HD1  PHE 318           HD1      PHE 318  14.099  -6.554  -2.909
  338    HD2  PHE 318           HD2      PHE 318  12.260  -3.069  -1.301
  339    HE1  PHE 318           HE1      PHE 318  13.603  -7.779  -0.834
  340    HE2  PHE 318           HE2      PHE 318  11.762  -4.287   0.778
  341    HZ   PHE 318           HZ       PHE 318  12.434  -6.645   1.014
  342    H    GLN 319           H        GLN 319  16.404  -1.463  -4.225
  343    HA   GLN 319           HA       GLN 319  15.515  -0.898  -6.798
  344   1HB   GLN 319          1HB       GLN 319  16.934   0.613  -5.459
  345   2HB   GLN 319          2HB       GLN 319  18.292  -0.482  -5.675
  346   1HG   GLN 319          1HG       GLN 319  18.255  -0.086  -8.071
  347   2HG   GLN 319          2HG       GLN 319  16.859   0.973  -7.886
  348   1HE2  GLN 319          1HE2      GLN 319  19.518   0.868  -5.626
  349   2HE2  GLN 319          2HE2      GLN 319  20.145   2.436  -5.988
  350    H    GLY 320           H        GLY 320  17.765  -3.310  -5.664
  351   1HA   GLY 320          1HA       GLY 320  18.982  -3.909  -8.156
  352   2HA   GLY 320          2HA       GLY 320  18.938  -4.962  -6.750
  353    H    GLN 321           H        GLN 321  16.153  -5.237  -6.495
  354    HA   GLN 321           HA       GLN 321  15.532  -6.772  -8.931
  355   1HB   GLN 321          1HB       GLN 321  15.896  -8.110  -6.852
  356   2HB   GLN 321          2HB       GLN 321  14.528  -7.279  -6.125
  357   1HG   GLN 321          1HG       GLN 321  13.059  -8.188  -7.856
  358   2HG   GLN 321          2HG       GLN 321  14.433  -9.027  -8.575
  359   1HE2  GLN 321          1HE2      GLN 321  11.963 -10.122  -7.504
  360   2HE2  GLN 321          2HE2      GLN 321  12.421 -11.220  -6.251
  361    HA   PRO 322           HA       PRO 322  12.371  -3.440  -8.952
  362   1HB   PRO 322          1HB       PRO 322  11.748  -3.788 -11.595
  363   2HB   PRO 322          2HB       PRO 322  13.064  -2.757 -11.022
  364   1HG   PRO 322          1HG       PRO 322  13.170  -5.557 -12.074
  365   2HG   PRO 322          2HG       PRO 322  14.255  -4.194 -12.406
  366   1HD   PRO 322          1HD       PRO 322  14.917  -6.142 -10.674
  367   2HD   PRO 322          2HD       PRO 322  15.397  -4.453 -10.409
  368    H    ASP 323           H        ASP 323  12.275  -6.806  -9.538
  369    HA   ASP 323           HA       ASP 323   9.562  -7.115 -10.262
  370   1HB   ASP 323          1HB       ASP 323  11.296  -8.880 -10.520
  371   2HB   ASP 323          2HB       ASP 323  11.322  -9.072  -8.770
  372    H    ILE 324           H        ILE 324  11.215  -7.101  -7.132
  373    HA   ILE 324           HA       ILE 324   8.990  -7.785  -5.551
  374    HB   ILE 324           HB       ILE 324  11.408  -6.136  -4.799
  375   1HG1  ILE 324          1HG1      ILE 324  11.966  -8.383  -5.652
  376   2HG1  ILE 324          2HG1      ILE 324  12.325  -8.231  -3.935
  377   1HG2  ILE 324          1HG2      ILE 324   9.617  -5.807  -3.205
  378   2HG2  ILE 324          2HG2      ILE 324  10.883  -6.803  -2.488
  379   3HG2  ILE 324          3HG2      ILE 324   9.392  -7.551  -3.058
  380   1HD1  ILE 324          1HD1      ILE 324   9.915  -9.586  -5.123
  381   2HD1  ILE 324          2HD1      ILE 324  10.266  -9.429  -3.403
  382   3HD1  ILE 324          3HD1      ILE 324  11.329 -10.383  -4.435
  383    H    TYR 325           H        TYR 325  10.304  -4.629  -6.511
  384    HA   TYR 325           HA       TYR 325   8.545  -3.029  -5.028
  385   1HB   TYR 325          1HB       TYR 325  10.614  -2.208  -6.117
  386   2HB   TYR 325          2HB       TYR 325   9.845  -2.397  -7.688
  387    HD1  TYR 325           HD1      TYR 325   9.138  -0.432  -8.643
  388    HD2  TYR 325           HD2      TYR 325   8.970  -0.807  -4.408
  389    HE1  TYR 325           HE1      TYR 325   8.244   1.853  -8.482
  390    HE2  TYR 325           HE2      TYR 325   8.073   1.476  -4.236
  391    HH   TYR 325           HH       TYR 325   8.051   3.550  -5.547
  392    H    LYS 326           H        LYS 326   8.377  -3.961  -8.468
  393    HA   LYS 326           HA       LYS 326   5.913  -2.796  -9.038
  394   1HB   LYS 326          1HB       LYS 326   7.140  -5.292 -10.228
  395   2HB   LYS 326          2HB       LYS 326   5.797  -4.397 -10.925
  396   1HG   LYS 326          1HG       LYS 326   7.224  -2.453 -11.225
  397   2HG   LYS 326          2HG       LYS 326   8.572  -3.315 -10.482
  398   1HD   LYS 326          1HD       LYS 326   8.407  -5.016 -12.286
  399   2HD   LYS 326          2HD       LYS 326   7.163  -4.027 -13.054
  400   1HE   LYS 326          1HE       LYS 326   8.757  -2.186 -13.263
  401   2HE   LYS 326          2HE       LYS 326   9.998  -3.167 -12.485
  402   1HZ   LYS 326          1HZ       LYS 326  10.250  -3.200 -14.877
  403   2HZ   LYS 326          2HZ       LYS 326   8.670  -3.772 -15.072
  404   3HZ   LYS 326          3HZ       LYS 326   9.833  -4.743 -14.321
  405    H    ALA 327           H        ALA 327   6.696  -5.894  -7.581
  406    HA   ALA 327           HA       ALA 327   4.168  -7.096  -7.733
  407   1HB   ALA 327          1HB       ALA 327   4.935  -8.564  -5.959
  408   2HB   ALA 327          2HB       ALA 327   6.253  -7.455  -5.582
  409   3HB   ALA 327          3HB       ALA 327   6.228  -8.300  -7.130
  410    H    PHE 328           H        PHE 328   5.650  -5.377  -4.980
  411    HA   PHE 328           HA       PHE 328   3.487  -5.370  -3.267
  412   1HB   PHE 328          1HB       PHE 328   5.714  -4.620  -2.600
  413   2HB   PHE 328          2HB       PHE 328   5.576  -3.214  -3.646
  414    HD1  PHE 328           HD1      PHE 328   3.385  -4.783  -1.050
  415    HD2  PHE 328           HD2      PHE 328   5.342  -1.278  -2.464
  416    HE1  PHE 328           HE1      PHE 328   2.428  -3.498   0.817
  417    HE2  PHE 328           HE2      PHE 328   4.386   0.012  -0.602
  418    HZ   PHE 328           HZ       PHE 328   2.928  -1.098   1.042
  419    H    LEU 329           H        LEU 329   4.299  -2.982  -5.774
  420    HA   LEU 329           HA       LEU 329   2.224  -1.185  -5.315
  421   1HB   LEU 329          1HB       LEU 329   3.566  -1.957  -7.905
  422   2HB   LEU 329          2HB       LEU 329   2.469  -0.598  -7.741
  423    HG   LEU 329           HG       LEU 329   5.088  -0.892  -6.266
  424   1HD1  LEU 329          1HD1      LEU 329   5.499  -0.555  -8.614
  425   2HD1  LEU 329          2HD1      LEU 329   5.831   0.944  -7.746
  426   3HD1  LEU 329          3HD1      LEU 329   4.335   0.770  -8.664
  427   1HD2  LEU 329          1HD2      LEU 329   3.128   1.395  -6.431
  428   2HD2  LEU 329          2HD2      LEU 329   4.721   1.471  -5.679
  429   3HD2  LEU 329          3HD2      LEU 329   3.479   0.414  -5.008
  430    H    GLU 330           H        GLU 330   2.290  -3.973  -7.529
  431    HA   GLU 330           HA       GLU 330  -0.295  -3.735  -8.528
  432   1HB   GLU 330          1HB       GLU 330   1.400  -6.190  -8.065
  433   2HB   GLU 330          2HB       GLU 330  -0.130  -6.220  -8.931
  434   1HG   GLU 330          1HG       GLU 330   2.306  -4.634  -9.717
  435   2HG   GLU 330          2HG       GLU 330   1.770  -6.143 -10.454
  436    H    ILE 331           H        ILE 331   0.859  -5.218  -5.545
  437    HA   ILE 331           HA       ILE 331  -1.506  -6.519  -4.788
  438    HB   ILE 331           HB       ILE 331   0.582  -5.262  -2.998
  439   1HG1  ILE 331          1HG1      ILE 331   0.299  -8.132  -3.911
  440   2HG1  ILE 331          2HG1      ILE 331   1.431  -6.978  -4.605
  441   1HG2  ILE 331          1HG2      ILE 331  -1.536  -7.323  -2.392
  442   2HG2  ILE 331          2HG2      ILE 331  -1.472  -5.670  -1.780
  443   3HG2  ILE 331          3HG2      ILE 331  -0.244  -6.838  -1.293
  444   1HD1  ILE 331          1HD1      ILE 331   2.537  -6.770  -2.431
  445   2HD1  ILE 331          2HD1      ILE 331   2.542  -8.431  -3.023
  446   3HD1  ILE 331          3HD1      ILE 331   1.413  -7.950  -1.757
  447    H    LEU 332           H        LEU 332  -0.307  -3.271  -3.955
  448    HA   LEU 332           HA       LEU 332  -2.548  -2.505  -2.438
  449   1HB   LEU 332          1HB       LEU 332  -0.800  -0.636  -4.024
  450   2HB   LEU 332          2HB       LEU 332  -1.713  -0.273  -2.573
  451    HG   LEU 332           HG       LEU 332   0.802  -1.914  -2.807
  452   1HD1  LEU 332          1HD1      LEU 332   1.064   0.511  -2.695
  453   2HD1  LEU 332          2HD1      LEU 332   1.672  -0.274  -1.238
  454   3HD1  LEU 332          3HD1      LEU 332   0.111   0.545  -1.211
  455   1HD2  LEU 332          1HD2      LEU 332   0.615  -2.352  -0.409
  456   2HD2  LEU 332          2HD2      LEU 332  -0.718  -3.087  -1.299
  457   3HD2  LEU 332          3HD2      LEU 332  -0.980  -1.598  -0.391
  458    H    HIS 333           H        HIS 333  -1.807  -2.103  -5.883
  459    HA   HIS 333           HA       HIS 333  -3.985  -0.499  -6.577
  460   1HB   HIS 333          1HB       HIS 333  -2.333  -2.481  -8.121
  461   2HB   HIS 333          2HB       HIS 333  -3.706  -1.676  -8.873
  462    HD1  HIS 333           HD1      HIS 333  -3.550   1.068  -8.730
  463    HD2  HIS 333           HD2      HIS 333  -0.020  -1.082  -8.306
  464    HE1  HIS 333           HE1      HIS 333  -1.704   2.711  -9.189
  465    HE2  HIS 333           HE2      HIS 333   0.422   1.372  -8.994
  466    H    THR 334           H        THR 334  -3.695  -4.041  -6.515
  467    HA   THR 334           HA       THR 334  -6.261  -4.631  -7.472
  468    HB   THR 334           HB       THR 334  -4.639  -6.259  -5.502
  469    HG1  THR 334           HG1      THR 334  -3.333  -6.359  -7.177
  470   1HG2  THR 334          1HG2      THR 334  -5.878  -8.167  -6.429
  471   2HG2  THR 334          2HG2      THR 334  -6.819  -7.065  -7.434
  472   3HG2  THR 334          3HG2      THR 334  -6.964  -6.998  -5.678
  473    H    TYR 335           H        TYR 335  -5.062  -4.181  -4.161
  474    HA   TYR 335           HA       TYR 335  -7.436  -4.753  -2.805
  475   1HB   TYR 335          1HB       TYR 335  -5.341  -4.547  -1.607
  476   2HB   TYR 335          2HB       TYR 335  -5.191  -2.858  -2.079
  477    HD1  TYR 335           HD1      TYR 335  -6.942  -5.224   0.117
  478    HD2  TYR 335           HD2      TYR 335  -6.456  -1.136  -0.954
  479    HE1  TYR 335           HE1      TYR 335  -8.133  -4.553   2.160
  480    HE2  TYR 335           HE2      TYR 335  -7.645  -0.453   1.087
  481    HH   TYR 335           HH       TYR 335  -9.225  -1.361   2.690
  482    H    GLN 336           H        GLN 336  -6.309  -1.809  -4.351
  483    HA   GLN 336           HA       GLN 336  -8.287  -0.063  -3.346
  484   1HB   GLN 336          1HB       GLN 336  -6.061   0.416  -4.635
  485   2HB   GLN 336          2HB       GLN 336  -7.068   0.274  -6.068
  486   1HG   GLN 336          1HG       GLN 336  -7.537   2.199  -3.800
  487   2HG   GLN 336          2HG       GLN 336  -6.763   2.595  -5.332
  488   1HE2  GLN 336          1HE2      GLN 336  -9.736   1.939  -3.709
  489   2HE2  GLN 336          2HE2      GLN 336 -10.789   2.360  -5.012
  490    H    LYS 337           H        LYS 337  -8.076  -1.864  -6.413
  491    HA   LYS 337           HA       LYS 337 -10.520  -1.015  -7.477
  492   1HB   LYS 337          1HB       LYS 337  -8.816  -2.124  -8.820
  493   2HB   LYS 337          2HB       LYS 337  -9.054  -3.619  -7.927
  494   1HG   LYS 337          1HG       LYS 337 -11.343  -3.760  -8.775
  495   2HG   LYS 337          2HG       LYS 337 -11.100  -2.260  -9.671
  496   1HD   LYS 337          1HD       LYS 337 -10.777  -4.011 -11.227
  497   2HD   LYS 337          2HD       LYS 337  -9.166  -3.415 -10.824
  498   1HE   LYS 337          1HE       LYS 337  -9.199  -5.848 -10.874
  499   2HE   LYS 337          2HE       LYS 337  -8.880  -5.260  -9.243
  500   1HZ   LYS 337          1HZ       LYS 337 -11.193  -5.657  -8.681
  501   2HZ   LYS 337          2HZ       LYS 337 -10.469  -7.079  -9.240
  502   3HZ   LYS 337          3HZ       LYS 337 -11.509  -6.207 -10.250
  503    H    GLU 338           H        GLU 338  -9.755  -3.627  -5.251
  504    HA   GLU 338           HA       GLU 338 -12.310  -4.874  -5.358
  505   1HB   GLU 338          1HB       GLU 338 -10.120  -4.984  -3.282
  506   2HB   GLU 338          2HB       GLU 338 -11.562  -5.989  -3.244
  507   1HG   GLU 338          1HG       GLU 338  -9.467  -5.973  -5.405
  508   2HG   GLU 338          2HG       GLU 338  -9.673  -7.202  -4.159
  509    H    GLN 339           H        GLN 339 -10.813  -2.609  -3.071
  510    HA   GLN 339           HA       GLN 339 -12.963  -2.429  -1.282
  511   1HB   GLN 339          1HB       GLN 339 -10.635  -1.609  -0.870
  512   2HB   GLN 339          2HB       GLN 339 -10.966  -0.259  -1.946
  513   1HG   GLN 339          1HG       GLN 339 -12.767   0.475  -0.454
  514   2HG   GLN 339          2HG       GLN 339 -12.393  -0.861   0.634
  515   1HE2  GLN 339          1HE2      GLN 339 -11.907   0.508   2.337
  516   2HE2  GLN 339          2HE2      GLN 339 -10.465   1.458   2.380
  517    H    ARG 340           H        ARG 340 -12.157  -0.520  -4.150
  518    HA   ARG 340           HA       ARG 340 -14.274   1.331  -3.917
  519   1HB   ARG 340          1HB       ARG 340 -12.325   1.760  -5.318
  520   2HB   ARG 340          2HB       ARG 340 -12.753   0.412  -6.362
  521   1HG   ARG 340          1HG       ARG 340 -14.831   1.582  -6.976
  522   2HG   ARG 340          2HG       ARG 340 -14.326   2.951  -5.982
  523   1HD   ARG 340          1HD       ARG 340 -12.336   3.228  -7.366
  524   2HD   ARG 340          2HD       ARG 340 -12.816   1.846  -8.348
  525    HE   ARG 340           HE       ARG 340 -14.777   3.956  -8.220
  526   1HH1  ARG 340          1HH1      ARG 340 -11.984   2.707  -9.886
  527   2HH1  ARG 340          2HH1      ARG 340 -12.336   3.532 -11.367
  528   1HH2  ARG 340          1HH2      ARG 340 -15.250   5.048 -10.166
  529   2HH2  ARG 340          2HH2      ARG 340 -14.196   4.860 -11.527
  530    H    ASN 341           H        ASN 341 -13.973  -1.758  -5.615
  531    HA   ASN 341           HA       ASN 341 -16.392  -1.722  -7.005
  532   1HB   ASN 341          1HB       ASN 341 -14.468  -3.413  -7.162
  533   2HB   ASN 341          2HB       ASN 341 -15.216  -4.217  -5.788
  534   1HD2  ASN 341          1HD2      ASN 341 -14.809  -5.132  -8.537
  535   2HD2  ASN 341          2HD2      ASN 341 -16.376  -5.556  -9.129
  536    H    ALA 342           H        ALA 342 -15.640  -2.883  -3.748
  537    HA   ALA 342           HA       ALA 342 -18.219  -3.828  -3.118
  538   1HB   ALA 342          1HB       ALA 342 -17.471  -3.993  -0.881
  539   2HB   ALA 342          2HB       ALA 342 -16.245  -2.749  -1.122
  540   3HB   ALA 342          3HB       ALA 342 -16.065  -4.325  -1.894
  541    H    LYS 343           H        LYS 343 -16.654  -0.698  -2.510
  542    HA   LYS 343           HA       LYS 343 -18.862   0.439  -1.138
  543   1HB   LYS 343          1HB       LYS 343 -16.552   1.760  -2.572
  544   2HB   LYS 343          2HB       LYS 343 -17.694   2.601  -1.534
  545   1HG   LYS 343          1HG       LYS 343 -15.915   0.348  -0.628
  546   2HG   LYS 343          2HG       LYS 343 -15.541   2.062  -0.437
  547   1HD   LYS 343          1HD       LYS 343 -17.547   2.356   0.924
  548   2HD   LYS 343          2HD       LYS 343 -17.952   0.651   0.709
  549   1HE   LYS 343          1HE       LYS 343 -16.904   1.021   2.874
  550   2HE   LYS 343          2HE       LYS 343 -15.881   0.018   1.848
  551   1HZ   LYS 343          1HZ       LYS 343 -14.611   1.717   3.020
  552   2HZ   LYS 343          2HZ       LYS 343 -15.529   2.935   2.290
  553   3HZ   LYS 343          3HZ       LYS 343 -14.532   1.948   1.345
  554    H    GLU 344           H        GLU 344 -18.188  -0.101  -4.456
  555    HA   GLU 344           HA       GLU 344 -20.138   1.892  -5.337
  556   1HB   GLU 344          1HB       GLU 344 -17.953   1.612  -6.538
  557   2HB   GLU 344          2HB       GLU 344 -18.481   0.007  -7.020
  558   1HG   GLU 344          1HG       GLU 344 -18.826   1.586  -8.814
  559   2HG   GLU 344          2HG       GLU 344 -20.373   0.987  -8.217
  560    H    ALA 345           H        ALA 345 -19.903  -1.429  -4.607
  561    HA   ALA 345           HA       ALA 345 -22.015  -2.338  -6.328
  562   1HB   ALA 345          1HB       ALA 345 -20.782  -3.661  -3.914
  563   2HB   ALA 345          2HB       ALA 345 -20.245  -3.854  -5.583
  564   3HB   ALA 345          3HB       ALA 345 -21.837  -4.437  -5.094
  565    H    GLY 346           H        GLY 346 -22.017  -0.403  -3.658
  566   1HA   GLY 346          1HA       GLY 346 -23.952   0.490  -2.662
  567   2HA   GLY 346          2HA       GLY 346 -24.850  -0.923  -3.194
  568    H    GLY 347           H        GLY 347 -23.949  -3.039  -2.132
  569   1HA   GLY 347          1HA       GLY 347 -22.854  -2.814   0.491
  570   2HA   GLY 347          2HA       GLY 347 -24.598  -3.016   0.550
  571    H    ASN 348           H        ASN 348 -25.113  -4.783  -1.437
  572    HA   ASN 348           HA       ASN 348 -24.232  -7.241  -0.282
  573   1HB   ASN 348          1HB       ASN 348 -25.811  -6.707  -2.808
  574   2HB   ASN 348          2HB       ASN 348 -25.571  -8.296  -2.088
  575   1HD2  ASN 348          1HD2      ASN 348 -27.736  -8.640  -1.749
  576   2HD2  ASN 348          2HD2      ASN 348 -28.644  -7.789  -0.550
  577    H    TYR 349           H        TYR 349 -22.050  -7.517  -0.527
  578    HA   TYR 349           HA       TYR 349 -21.119  -8.615  -2.950
  579   1HB   TYR 349          1HB       TYR 349 -21.102  -6.230  -3.632
  580   2HB   TYR 349          2HB       TYR 349 -20.009  -5.876  -2.299
  581    HD1  TYR 349           HD1      TYR 349 -17.682  -6.199  -2.523
  582    HD2  TYR 349           HD2      TYR 349 -20.317  -7.763  -5.474
  583    HE1  TYR 349           HE1      TYR 349 -15.755  -6.706  -3.966
  584    HE2  TYR 349           HE2      TYR 349 -18.399  -8.276  -6.925
  585    HH   TYR 349           HH       TYR 349 -15.203  -8.245  -5.830
  586    H    THR 350           H        THR 350 -19.193  -9.703  -2.678
  587    HA   THR 350           HA       THR 350 -17.930  -9.440  -0.030
  588    HB   THR 350           HB       THR 350 -19.062 -11.507   0.051
  589    HG1  THR 350           HG1      THR 350 -16.899 -12.879  -0.612
  590   1HG2  THR 350          1HG2      THR 350 -17.894 -12.160  -2.656
  591   2HG2  THR 350          2HG2      THR 350 -19.571 -11.716  -2.341
  592   3HG2  THR 350          3HG2      THR 350 -18.919 -13.217  -1.685
  593    HA   PRO 351           HA       PRO 351 -14.497  -8.467  -2.845
  594   1HB   PRO 351          1HB       PRO 351 -12.797  -7.681  -0.852
  595   2HB   PRO 351          2HB       PRO 351 -14.012  -6.624  -1.579
  596   1HG   PRO 351          1HG       PRO 351 -14.133  -8.171   0.981
  597   2HG   PRO 351          2HG       PRO 351 -14.662  -6.511   0.650
  598   1HD   PRO 351          1HD       PRO 351 -16.405  -8.560   0.774
  599   2HD   PRO 351          2HD       PRO 351 -16.630  -7.205  -0.351
  600    H    ALA 352           H        ALA 352 -12.550  -9.474  -3.323
  601    HA   ALA 352           HA       ALA 352 -12.118 -12.017  -1.940
  602   1HB   ALA 352          1HB       ALA 352 -11.050 -11.060  -4.594
  603   2HB   ALA 352          2HB       ALA 352 -12.458 -12.097  -4.361
  604   3HB   ALA 352          3HB       ALA 352 -10.853 -12.676  -3.915
  605    H    LEU 353           H        LEU 353 -10.879  -8.917  -1.952
  606    HA   LEU 353           HA       LEU 353  -8.392  -9.857  -0.712
  607   1HB   LEU 353          1HB       LEU 353  -7.909  -9.197  -3.049
  608   2HB   LEU 353          2HB       LEU 353  -8.545  -7.599  -2.710
  609    HG   LEU 353           HG       LEU 353  -6.745  -7.269  -1.033
  610   1HD1  LEU 353          1HD1      LEU 353  -4.836  -8.819  -1.047
  611   2HD1  LEU 353          2HD1      LEU 353  -5.751  -9.914  -2.082
  612   3HD1  LEU 353          3HD1      LEU 353  -6.311  -9.574  -0.445
  613   1HD2  LEU 353          1HD2      LEU 353  -5.773  -8.006  -3.791
  614   2HD2  LEU 353          2HD2      LEU 353  -4.953  -6.947  -2.644
  615   3HD2  LEU 353          3HD2      LEU 353  -6.502  -6.467  -3.336
  616    H    THR 354           H        THR 354  -8.564  -9.206   1.329
  617    HA   THR 354           HA       THR 354  -9.597  -6.495   1.859
  618    HB   THR 354           HB       THR 354 -10.176  -7.310   4.132
  619    HG1  THR 354           HG1      THR 354  -9.022  -9.094   4.537
  620   1HG2  THR 354          1HG2      THR 354 -12.130  -8.650   3.455
  621   2HG2  THR 354          2HG2      THR 354 -11.421  -8.852   1.853
  622   3HG2  THR 354          3HG2      THR 354 -11.894  -7.247   2.412
  623    H    GLU 355           H        GLU 355  -8.823  -6.024   4.361
  624    HA   GLU 355           HA       GLU 355  -6.130  -5.293   4.128
  625   1HB   GLU 355          1HB       GLU 355  -7.802  -5.555   6.633
  626   2HB   GLU 355          2HB       GLU 355  -6.279  -4.685   6.511
  627   1HG   GLU 355          1HG       GLU 355  -7.301  -3.165   4.874
  628   2HG   GLU 355          2HG       GLU 355  -8.833  -4.016   5.063
  629    H    GLN 356           H        GLN 356  -7.628  -7.900   6.037
  630    HA   GLN 356           HA       GLN 356  -5.261  -8.911   7.149
  631   1HB   GLN 356          1HB       GLN 356  -7.529  -9.505   7.934
  632   2HB   GLN 356          2HB       GLN 356  -7.791 -10.417   6.454
  633   1HG   GLN 356          1HG       GLN 356  -7.243 -11.914   8.254
  634   2HG   GLN 356          2HG       GLN 356  -5.942 -11.911   7.065
  635   1HE2  GLN 356          1HE2      GLN 356  -6.450  -9.323   9.347
  636   2HE2  GLN 356          2HE2      GLN 356  -5.040  -9.620  10.299
  637    H    GLU 357           H        GLU 357  -6.971  -9.747   4.166
  638    HA   GLU 357           HA       GLU 357  -5.351 -11.883   3.370
  639   1HB   GLU 357          1HB       GLU 357  -7.565 -11.234   2.383
  640   2HB   GLU 357          2HB       GLU 357  -6.745  -9.924   1.544
  641   1HG   GLU 357          1HG       GLU 357  -7.078 -11.832   0.085
  642   2HG   GLU 357          2HG       GLU 357  -5.362 -11.532   0.355
  643    H    VAL 358           H        VAL 358  -5.039  -8.402   2.811
  644    HA   VAL 358           HA       VAL 358  -2.832  -8.558   1.050
  645    HB   VAL 358           HB       VAL 358  -3.826  -6.329   2.826
  646   1HG1  VAL 358          1HG1      VAL 358  -2.291  -4.839   1.561
  647   2HG1  VAL 358          2HG1      VAL 358  -1.526  -6.271   0.873
  648   3HG1  VAL 358          3HG1      VAL 358  -1.450  -5.981   2.610
  649   1HG2  VAL 358          1HG2      VAL 358  -4.566  -5.341   0.748
  650   2HG2  VAL 358          2HG2      VAL 358  -5.205  -6.980   0.884
  651   3HG2  VAL 358          3HG2      VAL 358  -3.828  -6.654  -0.170
  652    H    TYR 359           H        TYR 359  -3.065  -8.149   4.567
  653    HA   TYR 359           HA       TYR 359  -0.354  -7.794   5.114
  654   1HB   TYR 359          1HB       TYR 359  -2.121  -7.453   6.786
  655   2HB   TYR 359          2HB       TYR 359  -2.443  -9.183   6.809
  656    HD1  TYR 359           HD1      TYR 359  -1.117 -10.659   8.123
  657    HD2  TYR 359           HD2      TYR 359   0.049  -6.591   7.669
  658    HE1  TYR 359           HE1      TYR 359   0.545 -10.940   9.914
  659    HE2  TYR 359           HE2      TYR 359   1.716  -6.864   9.456
  660    HH   TYR 359           HH       TYR 359   2.624  -9.906  10.676
  661    H    ALA 360           H        ALA 360  -2.250 -10.755   4.751
  662    HA   ALA 360           HA       ALA 360  -0.206 -12.560   5.479
  663   1HB   ALA 360          1HB       ALA 360  -2.567 -13.182   5.438
  664   2HB   ALA 360          2HB       ALA 360  -1.601 -14.270   4.440
  665   3HB   ALA 360          3HB       ALA 360  -2.585 -13.017   3.683
  666    H    GLN 361           H        GLN 361  -1.328 -11.476   2.273
  667    HA   GLN 361           HA       GLN 361   0.495 -12.978   0.762
  668   1HB   GLN 361          1HB       GLN 361  -0.860 -10.355   0.122
  669   2HB   GLN 361          2HB       GLN 361   0.019 -11.328  -1.049
  670   1HG   GLN 361          1HG       GLN 361  -1.549 -13.161  -0.722
  671   2HG   GLN 361          2HG       GLN 361  -2.421 -12.209   0.477
  672   1HE2  GLN 361          1HE2      GLN 361  -2.086  -9.725  -1.016
  673   2HE2  GLN 361          2HE2      GLN 361  -3.186  -9.812  -2.345
  674    H    VAL 362           H        VAL 362   0.682  -9.564   1.782
  675    HA   VAL 362           HA       VAL 362   3.205  -9.031   0.692
  676    HB   VAL 362           HB       VAL 362   1.997  -7.773   3.163
  677   1HG1  VAL 362          1HG1      VAL 362   4.380  -7.301   2.903
  678   2HG1  VAL 362          2HG1      VAL 362   3.409  -5.857   2.615
  679   3HG1  VAL 362          3HG1      VAL 362   4.094  -6.745   1.253
  680   1HG2  VAL 362          1HG2      VAL 362   1.812  -6.810   0.314
  681   2HG2  VAL 362          2HG2      VAL 362   1.018  -6.128   1.734
  682   3HG2  VAL 362          3HG2      VAL 362   0.537  -7.714   1.131
  683    H    ALA 363           H        ALA 363   2.253 -10.522   3.718
  684    HA   ALA 363           HA       ALA 363   4.760 -10.391   5.016
  685   1HB   ALA 363          1HB       ALA 363   2.542 -12.401   5.386
  686   2HB   ALA 363          2HB       ALA 363   2.676 -10.849   6.212
  687   3HB   ALA 363          3HB       ALA 363   3.875 -12.110   6.503
  688    H    ARG 364           H        ARG 364   3.243 -12.900   3.018
  689    HA   ARG 364           HA       ARG 364   5.328 -14.784   3.257
  690   1HB   ARG 364          1HB       ARG 364   3.117 -15.452   2.523
  691   2HB   ARG 364          2HB       ARG 364   3.242 -14.426   1.101
  692   1HG   ARG 364          1HG       ARG 364   5.072 -15.817   0.262
  693   2HG   ARG 364          2HG       ARG 364   4.929 -16.852   1.684
  694   1HD   ARG 364          1HD       ARG 364   2.746 -16.361  -0.339
  695   2HD   ARG 364          2HD       ARG 364   3.788 -17.782  -0.297
  696    HE   ARG 364           HE       ARG 364   2.659 -17.656   2.196
  697   1HH1  ARG 364          1HH1      ARG 364   1.458 -17.826  -1.070
  698   2HH1  ARG 364          2HH1      ARG 364   0.020 -18.687  -0.634
  699   1HH2  ARG 364          1HH2      ARG 364   0.771 -18.793   2.779
  700   2HH2  ARG 364          2HH2      ARG 364  -0.371 -19.236   1.554
  701    H    LEU 365           H        LEU 365   4.724 -12.191   0.927
  702    HA   LEU 365           HA       LEU 365   6.924 -12.926  -0.749
  703   1HB   LEU 365          1HB       LEU 365   5.812 -11.629  -2.166
  704   2HB   LEU 365          2HB       LEU 365   4.711 -11.165  -0.889
  705    HG   LEU 365           HG       LEU 365   6.518  -9.395  -0.321
  706   1HD1  LEU 365          1HD1      LEU 365   8.267 -10.224  -1.775
  707   2HD1  LEU 365          2HD1      LEU 365   7.752  -8.628  -2.318
  708   3HD1  LEU 365          3HD1      LEU 365   7.210 -10.069  -3.178
  709   1HD2  LEU 365          1HD2      LEU 365   5.482  -7.830  -1.883
  710   2HD2  LEU 365          2HD2      LEU 365   4.281  -8.889  -1.144
  711   3HD2  LEU 365          3HD2      LEU 365   4.817  -9.182  -2.799
  712    H    PHE 366           H        PHE 366   6.463 -10.818   2.004
  713    HA   PHE 366           HA       PHE 366   9.221  -9.840   1.752
  714   1HB   PHE 366          1HB       PHE 366   6.875  -8.903   3.399
  715   2HB   PHE 366          2HB       PHE 366   8.513  -8.369   3.742
  716    HD1  PHE 366           HD1      PHE 366   8.428  -8.788   0.308
  717    HD2  PHE 366           HD2      PHE 366   6.935  -6.213   3.350
  718    HE1  PHE 366           HE1      PHE 366   8.164  -7.000  -1.347
  719    HE2  PHE 366           HE2      PHE 366   6.674  -4.411   1.696
  720    HZ   PHE 366           HZ       PHE 366   7.290  -4.800  -0.656
  721    H    LYS 367           H        LYS 367  10.406 -11.586   2.436
  722    HA   LYS 367           HA       LYS 367   9.804 -12.706   5.075
  723   1HB   LYS 367          1HB       LYS 367  10.152 -14.268   3.184
  724   2HB   LYS 367          2HB       LYS 367  11.786 -13.648   2.994
  725   1HG   LYS 367          1HG       LYS 367  12.401 -14.480   5.173
  726   2HG   LYS 367          2HG       LYS 367  10.742 -15.002   5.472
  727   1HD   LYS 367          1HD       LYS 367  12.463 -16.031   3.219
  728   2HD   LYS 367          2HD       LYS 367  12.288 -16.838   4.778
  729   1HE   LYS 367          1HE       LYS 367   9.890 -17.066   4.405
  730   2HE   LYS 367          2HE       LYS 367  10.036 -16.217   2.867
  731   1HZ   LYS 367          1HZ       LYS 367   9.945 -18.601   2.540
  732   2HZ   LYS 367          2HZ       LYS 367  11.293 -18.824   3.536
  733   3HZ   LYS 367          3HZ       LYS 367  11.456 -18.007   2.064
  734    H    ASN 368           H        ASN 368  11.240 -12.661   6.763
  735    HA   ASN 368           HA       ASN 368  12.874 -11.853   8.116
  736   1HB   ASN 368          1HB       ASN 368  14.309 -13.059   6.445
  737   2HB   ASN 368          2HB       ASN 368  14.507 -11.531   5.592
  738   1HD2  ASN 368          1HD2      ASN 368  16.712 -11.479   5.913
  739   2HD2  ASN 368          2HD2      ASN 368  17.421 -11.165   7.456
  740    H    GLN 369           H        GLN 369  11.104 -10.020   6.259
  741    HA   GLN 369           HA       GLN 369  12.459  -7.530   7.054
  742   1HB   GLN 369          1HB       GLN 369  10.873  -8.043   4.532
  743   2HB   GLN 369          2HB       GLN 369  11.423  -6.457   5.054
  744   1HG   GLN 369          1HG       GLN 369  13.217  -8.791   4.426
  745   2HG   GLN 369          2HG       GLN 369  12.866  -7.451   3.335
  746   1HE2  GLN 369          1HE2      GLN 369  13.718  -5.416   3.774
  747   2HE2  GLN 369          2HE2      GLN 369  15.028  -5.188   4.876
  748    H    GLU 370           H        GLU 370  10.969  -8.341   8.944
  749    HA   GLU 370           HA       GLU 370   8.173  -7.850   8.706
  750   1HB   GLU 370          1HB       GLU 370   9.050  -9.354  10.411
  751   2HB   GLU 370          2HB       GLU 370   9.953  -8.037  11.145
  752   1HG   GLU 370          1HG       GLU 370   7.864  -6.920  11.722
  753   2HG   GLU 370          2HG       GLU 370   6.954  -8.232  10.975
  754    H    ASP 371           H        ASP 371  10.926  -5.846   9.237
  755    HA   ASP 371           HA       ASP 371   9.805  -3.720  10.654
  756   1HB   ASP 371          1HB       ASP 371  11.941  -3.639   8.512
  757   2HB   ASP 371          2HB       ASP 371  11.595  -2.340   9.651
  758    H    LEU 372           H        LEU 372  10.076  -4.168   7.132
  759    HA   LEU 372           HA       LEU 372   8.667  -1.825   6.441
  760   1HB   LEU 372          1HB       LEU 372   9.425  -4.335   5.013
  761   2HB   LEU 372          2HB       LEU 372   8.252  -3.268   4.268
  762    HG   LEU 372           HG       LEU 372   9.875  -1.438   4.279
  763   1HD1  LEU 372          1HD1      LEU 372  11.772  -3.460   5.464
  764   2HD1  LEU 372          2HD1      LEU 372  11.128  -2.033   6.275
  765   3HD1  LEU 372          3HD1      LEU 372  12.207  -1.850   4.892
  766   1HD2  LEU 372          1HD2      LEU 372  11.429  -2.358   2.623
  767   2HD2  LEU 372          2HD2      LEU 372   9.775  -2.902   2.341
  768   3HD2  LEU 372          3HD2      LEU 372  10.947  -3.991   3.083
  769    H    LEU 373           H        LEU 373   7.628  -5.197   6.806
  770    HA   LEU 373           HA       LEU 373   4.968  -4.865   6.014
  771   1HB   LEU 373          1HB       LEU 373   6.193  -7.038   6.429
  772   2HB   LEU 373          2HB       LEU 373   5.935  -6.772   8.141
  773    HG   LEU 373           HG       LEU 373   3.535  -6.920   7.856
  774   1HD1  LEU 373          1HD1      LEU 373   3.313  -5.899   5.671
  775   2HD1  LEU 373          2HD1      LEU 373   2.554  -7.491   5.675
  776   3HD1  LEU 373          3HD1      LEU 373   4.133  -7.269   4.923
  777   1HD2  LEU 373          1HD2      LEU 373   4.743  -9.000   8.199
  778   2HD2  LEU 373          2HD2      LEU 373   4.983  -9.165   6.459
  779   3HD2  LEU 373          3HD2      LEU 373   3.358  -9.257   7.138
  780    H    SER 374           H        SER 374   6.580  -4.190   9.040
  781    HA   SER 374           HA       SER 374   4.224  -3.851  10.603
  782   1HB   SER 374          1HB       SER 374   7.033  -2.797  11.020
  783   2HB   SER 374          2HB       SER 374   5.746  -2.741  12.224
  784    HG   SER 374           HG       SER 374   7.192  -4.561  12.429
  785    H    GLU 375           H        GLU 375   6.473  -1.545   9.083
  786    HA   GLU 375           HA       GLU 375   5.129   0.801   9.745
  787   1HB   GLU 375          1HB       GLU 375   6.733   0.202   7.249
  788   2HB   GLU 375          2HB       GLU 375   6.296   1.809   7.811
  789   1HG   GLU 375          1HG       GLU 375   8.051  -0.154   9.269
  790   2HG   GLU 375          2HG       GLU 375   8.597   1.259   8.367
  791    H    PHE 376           H        PHE 376   4.521  -1.553   7.242
  792    HA   PHE 376           HA       PHE 376   2.657   0.046   5.771
  793   1HB   PHE 376          1HB       PHE 376   3.844  -1.757   4.659
  794   2HB   PHE 376          2HB       PHE 376   3.170  -2.936   5.778
  795    HD1  PHE 376           HD1      PHE 376   1.169  -4.014   5.292
  796    HD2  PHE 376           HD2      PHE 376   2.217  -0.486   3.156
  797    HE1  PHE 376           HE1      PHE 376  -0.725  -4.382   3.767
  798    HE2  PHE 376           HE2      PHE 376   0.321  -0.846   1.627
  799    HZ   PHE 376           HZ       PHE 376  -1.151  -2.796   1.932
  800    H    GLY 377           H        GLY 377   2.424  -2.436   8.275
  801   1HA   GLY 377          1HA       GLY 377  -0.395  -2.679   8.245
  802   2HA   GLY 377          2HA       GLY 377   0.663  -3.136   9.572
  803    H    GLN 378           H        GLN 378   1.764  -0.406   9.793
  804    HA   GLN 378           HA       GLN 378   0.059   0.601  11.762
  805   1HB   GLN 378          1HB       GLN 378   2.225   1.980  10.172
  806   2HB   GLN 378          2HB       GLN 378   1.423   2.699  11.563
  807   1HG   GLN 378          1HG       GLN 378   2.215   0.818  12.948
  808   2HG   GLN 378          2HG       GLN 378   3.087   0.191  11.551
  809   1HE2  GLN 378          1HE2      GLN 378   2.770   3.597  12.231
  810   2HE2  GLN 378          2HE2      GLN 378   4.425   3.872  12.641
  811    H    PHE 379           H        PHE 379   0.254   1.288   8.324
  812    HA   PHE 379           HA       PHE 379  -1.372   3.587   8.284
  813   1HB   PHE 379          1HB       PHE 379  -0.909   1.491   6.153
  814   2HB   PHE 379          2HB       PHE 379  -1.711   3.032   5.877
  815    HD1  PHE 379           HD1      PHE 379   1.319   1.340   5.648
  816    HD2  PHE 379           HD2      PHE 379  -0.300   5.130   6.709
  817    HE1  PHE 379           HE1      PHE 379   3.502   2.389   5.213
  818    HE2  PHE 379           HE2      PHE 379   1.880   6.186   6.276
  819    HZ   PHE 379           HZ       PHE 379   3.784   4.815   5.527
  820    H    LEU 380           H        LEU 380  -2.110   0.167   8.324
  821    HA   LEU 380           HA       LEU 380  -4.846   0.386   7.621
  822   1HB   LEU 380          1HB       LEU 380  -3.465  -1.756   9.239
  823   2HB   LEU 380          2HB       LEU 380  -5.041  -1.895   8.485
  824    HG   LEU 380           HG       LEU 380  -2.478  -1.480   6.951
  825   1HD1  LEU 380          1HD1      LEU 380  -4.014  -4.019   7.482
  826   2HD1  LEU 380          2HD1      LEU 380  -2.412  -3.618   8.100
  827   3HD1  LEU 380          3HD1      LEU 380  -2.654  -3.855   6.370
  828   1HD2  LEU 380          1HD2      LEU 380  -3.817  -2.134   5.026
  829   2HD2  LEU 380          2HD2      LEU 380  -4.504  -0.711   5.810
  830   3HD2  LEU 380          3HD2      LEU 380  -5.240  -2.295   6.055
  831    HA   PRO 381           HA       PRO 381  -6.343   2.069  11.481
  832   1HB   PRO 381          1HB       PRO 381  -8.997   1.681  11.069
  833   2HB   PRO 381          2HB       PRO 381  -8.083   2.966  10.271
  834   1HG   PRO 381          1HG       PRO 381  -8.894   0.283   9.217
  835   2HG   PRO 381          2HG       PRO 381  -8.948   1.863   8.414
  836   1HD   PRO 381          1HD       PRO 381  -6.974   0.070   7.957
  837   2HD   PRO 381          2HD       PRO 381  -6.699   1.823   7.905
  838    H    ASP 382           H        ASP 382  -8.279   1.309  13.054
  839    HA   ASP 382           HA       ASP 382  -7.405  -1.213  14.091
  840   1HB   ASP 382          1HB       ASP 382  -8.009   0.614  15.602
  841   2HB   ASP 382          2HB       ASP 382  -9.656   0.603  14.981
  842    H    ALA 383           H        ALA 383  -7.948  -2.765  12.567
  843    HA   ALA 383           HA       ALA 383 -10.798  -3.145  11.988
  844   1HB   ALA 383          1HB       ALA 383 -10.067  -4.671  10.231
  845   2HB   ALA 383          2HB       ALA 383  -8.390  -4.461  10.735
  846   3HB   ALA 383          3HB       ALA 383  -9.286  -3.098  10.066
  Start of MODEL    2
    1   1H    ARG   6          1H        ARG   6  -9.302   6.017   1.702
    2   2H    ARG   6          2H        ARG   6  -9.908   6.437   3.224
    3   3H    ARG   6          3H        ARG   6 -10.427   5.013   2.471
    4    HA   ARG   6           HA       ARG   6  -8.845   4.553   4.232
    5   1HB   ARG   6          1HB       ARG   6  -7.836   4.020   1.440
    6   2HB   ARG   6          2HB       ARG   6  -7.278   3.189   2.884
    7   1HG   ARG   6          1HG       ARG   6 -10.070   3.135   1.762
    8   2HG   ARG   6          2HG       ARG   6  -8.880   1.840   1.693
    9   1HD   ARG   6          1HD       ARG   6 -10.154   2.973   4.175
   10   2HD   ARG   6          2HD       ARG   6 -10.481   1.400   3.452
   11    HE   ARG   6           HE       ARG   6  -7.735   1.907   4.252
   12   1HH1  ARG   6          1HH1      ARG   6 -10.816   0.472   5.024
   13   2HH1  ARG   6          2HH1      ARG   6 -10.162  -0.598   6.220
   14   1HH2  ARG   6          1HH2      ARG   6  -6.868   0.503   5.821
   15   2HH2  ARG   6          2HH2      ARG   6  -7.917  -0.581   6.672
   16    H    MET   7           H        MET   7  -7.410   5.582   5.451
   17    HA   MET   7           HA       MET   7  -5.582   7.504   4.218
   18   1HB   MET   7          1HB       MET   7  -7.046   8.031   6.256
   19   2HB   MET   7          2HB       MET   7  -5.946   7.008   7.169
   20   1HG   MET   7          1HG       MET   7  -4.078   8.472   6.454
   21   2HG   MET   7          2HG       MET   7  -5.259   9.534   5.689
   22   1HE   MET   7          1HE       MET   7  -3.778   8.163   9.013
   23   2HE   MET   7          2HE       MET   7  -5.428   7.549   9.118
   24   3HE   MET   7          3HE       MET   7  -4.883   8.806  10.228
   25    H    ASN   8           H        ASN   8  -5.030   4.807   3.709
   26    HA   ASN   8           HA       ASN   8  -2.443   4.543   5.065
   27   1HB   ASN   8          1HB       ASN   8  -3.699   2.976   6.290
   28   2HB   ASN   8          2HB       ASN   8  -4.591   2.445   4.870
   29   1HD2  ASN   8          1HD2      ASN   8  -1.128   2.915   4.897
   30   2HD2  ASN   8          2HD2      ASN   8  -0.707   1.246   4.759
   31    H    ILE   9           H        ILE   9  -4.254   2.529   2.770
   32    HA   ILE   9           HA       ILE   9  -1.974   2.113   1.121
   33    HB   ILE   9           HB       ILE   9  -4.883   1.484   0.625
   34   1HG1  ILE   9          1HG1      ILE   9  -2.586  -0.193   1.657
   35   2HG1  ILE   9          2HG1      ILE   9  -3.967   0.366   2.593
   36   1HG2  ILE   9          1HG2      ILE   9  -3.593   1.608  -1.465
   37   2HG2  ILE   9          2HG2      ILE   9  -4.116  -0.037  -1.103
   38   3HG2  ILE   9          3HG2      ILE   9  -2.444   0.440  -0.810
   39   1HD1  ILE   9          1HD1      ILE   9  -5.433  -0.983   1.123
   40   2HD1  ILE   9          2HD1      ILE   9  -4.274  -1.935   2.050
   41   3HD1  ILE   9          3HD1      ILE   9  -3.987  -1.621   0.338
   42    H    GLN  10           H        GLN  10  -4.799   4.227   0.895
   43    HA   GLN  10           HA       GLN  10  -4.503   5.034  -1.766
   44   1HB   GLN  10          1HB       GLN  10  -5.615   6.499   0.623
   45   2HB   GLN  10          2HB       GLN  10  -5.699   7.130  -1.015
   46   1HG   GLN  10          1HG       GLN  10  -6.938   5.084  -1.677
   47   2HG   GLN  10          2HG       GLN  10  -6.954   4.600   0.018
   48   1HE2  GLN  10          1HE2      GLN  10  -9.170   5.208  -1.791
   49   2HE2  GLN  10          2HE2      GLN  10 -10.067   6.476  -1.035
   50    H    MET  11           H        MET  11  -3.061   6.324   1.194
   51    HA   MET  11           HA       MET  11  -1.805   8.561   0.057
   52   1HB   MET  11          1HB       MET  11  -0.928   6.920   2.441
   53   2HB   MET  11          2HB       MET  11  -0.384   8.548   2.060
   54   1HG   MET  11          1HG       MET  11  -3.199   7.733   2.743
   55   2HG   MET  11          2HG       MET  11  -2.067   8.569   3.804
   56   1HE   MET  11          1HE       MET  11  -1.669  12.026   2.016
   57   2HE   MET  11          2HE       MET  11  -0.662  10.598   1.780
   58   3HE   MET  11          3HE       MET  11  -1.205  11.034   3.400
   59    H    LEU  12           H        LEU  12  -0.603   5.268   0.622
   60    HA   LEU  12           HA       LEU  12   2.003   5.727  -0.358
   61   1HB   LEU  12          1HB       LEU  12   0.463   3.133  -0.298
   62   2HB   LEU  12          2HB       LEU  12   2.201   3.299  -0.458
   63    HG   LEU  12           HG       LEU  12   0.582   4.083   1.968
   64   1HD1  LEU  12          1HD1      LEU  12   1.729   2.190   3.034
   65   2HD1  LEU  12          2HD1      LEU  12   2.433   1.757   1.476
   66   3HD1  LEU  12          3HD1      LEU  12   0.687   1.682   1.706
   67   1HD2  LEU  12          1HD2      LEU  12   2.790   4.362   3.035
   68   2HD2  LEU  12          2HD2      LEU  12   2.514   5.515   1.729
   69   3HD2  LEU  12          3HD2      LEU  12   3.555   4.116   1.465
   70    H    LEU  13           H        LEU  13  -1.013   4.916  -1.942
   71    HA   LEU  13           HA       LEU  13   0.130   4.127  -4.423
   72   1HB   LEU  13          1HB       LEU  13  -2.622   5.082  -3.660
   73   2HB   LEU  13          2HB       LEU  13  -2.203   4.642  -5.304
   74    HG   LEU  13           HG       LEU  13  -2.066   2.788  -2.923
   75   1HD1  LEU  13          1HD1      LEU  13  -4.007   1.707  -3.866
   76   2HD1  LEU  13          2HD1      LEU  13  -4.032   2.854  -5.206
   77   3HD1  LEU  13          3HD1      LEU  13  -4.364   3.408  -3.563
   78   1HD2  LEU  13          1HD2      LEU  13  -1.565   2.363  -5.862
   79   2HD2  LEU  13          2HD2      LEU  13  -1.817   1.053  -4.711
   80   3HD2  LEU  13          3HD2      LEU  13  -0.431   2.129  -4.531
   81    H    GLU  14           H        GLU  14  -1.243   7.183  -3.246
   82    HA   GLU  14           HA       GLU  14  -0.865   8.624  -5.640
   83   1HB   GLU  14          1HB       GLU  14  -1.028   9.594  -2.780
   84   2HB   GLU  14          2HB       GLU  14  -1.081  10.643  -4.189
   85   1HG   GLU  14          1HG       GLU  14  -3.119   9.498  -4.943
   86   2HG   GLU  14          2HG       GLU  14  -3.073   8.494  -3.496
   87    H    ALA  15           H        ALA  15   1.212   7.993  -2.878
   88    HA   ALA  15           HA       ALA  15   3.250   9.846  -3.534
   89   1HB   ALA  15          1HB       ALA  15   3.457   7.283  -1.957
   90   2HB   ALA  15          2HB       ALA  15   3.031   8.865  -1.304
   91   3HB   ALA  15          3HB       ALA  15   4.640   8.591  -1.972
   92    H    ALA  16           H        ALA  16   2.952   6.347  -4.134
   93    HA   ALA  16           HA       ALA  16   5.368   6.045  -5.532
   94   1HB   ALA  16          1HB       ALA  16   4.088   4.163  -4.615
   95   2HB   ALA  16          2HB       ALA  16   4.463   3.936  -6.323
   96   3HB   ALA  16          3HB       ALA  16   2.841   4.426  -5.834
   97    H    ASP  17           H        ASP  17   2.113   6.867  -6.629
   98    HA   ASP  17           HA       ASP  17   2.730   6.792  -9.405
   99   1HB   ASP  17          1HB       ASP  17   0.426   6.585  -8.580
  100   2HB   ASP  17          2HB       ASP  17   0.496   8.227  -7.950
  101    H    TYR  18           H        TYR  18   3.012   9.172  -6.891
  102    HA   TYR  18           HA       TYR  18   3.296  11.467  -8.529
  103   1HB   TYR  18          1HB       TYR  18   2.753  11.696  -6.180
  104   2HB   TYR  18          2HB       TYR  18   4.246  10.887  -5.716
  105    HD1  TYR  18           HD1      TYR  18   2.772  14.005  -6.954
  106    HD2  TYR  18           HD2      TYR  18   6.369  12.061  -5.775
  107    HE1  TYR  18           HE1      TYR  18   3.902  16.185  -6.829
  108    HE2  TYR  18           HE2      TYR  18   7.507  14.237  -5.646
  109    HH   TYR  18           HH       TYR  18   5.862  17.179  -5.667
  110    H    LEU  19           H        LEU  19   5.742   9.550  -6.782
  111    HA   LEU  19           HA       LEU  19   7.979  10.830  -7.887
  112   1HB   LEU  19          1HB       LEU  19   7.912   7.954  -7.005
  113   2HB   LEU  19          2HB       LEU  19   9.272   9.059  -6.975
  114    HG   LEU  19           HG       LEU  19   6.815   9.430  -5.270
  115   1HD1  LEU  19          1HD1      LEU  19   7.907   7.301  -4.728
  116   2HD1  LEU  19          2HD1      LEU  19   8.087   8.485  -3.434
  117   3HD1  LEU  19          3HD1      LEU  19   9.439   8.150  -4.517
  118   1HD2  LEU  19          1HD2      LEU  19   8.237  10.933  -4.004
  119   2HD2  LEU  19          2HD2      LEU  19   8.176  11.433  -5.694
  120   3HD2  LEU  19          3HD2      LEU  19   9.593  10.586  -5.076
  121    H    GLU  20           H        GLU  20   6.359   7.803  -8.815
  122    HA   GLU  20           HA       GLU  20   8.043   7.182 -10.981
  123   1HB   GLU  20          1HB       GLU  20   6.500   5.565  -9.932
  124   2HB   GLU  20          2HB       GLU  20   5.132   6.458 -10.583
  125   1HG   GLU  20          1HG       GLU  20   5.901   5.965 -12.854
  126   2HG   GLU  20          2HG       GLU  20   7.251   5.047 -12.187
  127    H    ARG  21           H        ARG  21   5.258   9.268 -10.682
  128    HA   ARG  21           HA       ARG  21   4.238  10.722 -12.097
  129   1HB   ARG  21          1HB       ARG  21   6.783  11.359 -12.204
  130   2HB   ARG  21          2HB       ARG  21   6.673  10.736 -13.843
  131   1HG   ARG  21          1HG       ARG  21   4.851  12.873 -12.769
  132   2HG   ARG  21          2HG       ARG  21   6.374  13.216 -13.590
  133   1HD   ARG  21          1HD       ARG  21   5.567  12.026 -15.572
  134   2HD   ARG  21          2HD       ARG  21   4.044  11.689 -14.750
  135    HE   ARG  21           HE       ARG  21   4.520  14.465 -14.754
  136   1HH1  ARG  21          1HH1      ARG  21   3.666  11.862 -16.906
  137   2HH1  ARG  21          2HH1      ARG  21   2.794  12.881 -18.002
  138   1HH2  ARG  21          1HH2      ARG  21   3.375  15.816 -16.194
  139   2HH2  ARG  21          2HH2      ARG  21   2.628  15.129 -17.597
  140   1H    SER 295          1H        SER 295 -12.565  12.080   2.460
  141   2H    SER 295          2H        SER 295 -11.641  11.970   3.872
  142   3H    SER 295          3H        SER 295 -11.144  11.160   2.473
  143    HA   SER 295           HA       SER 295 -10.786  13.246   1.340
  144   1HB   SER 295          1HB       SER 295 -11.555  14.456   4.010
  145   2HB   SER 295          2HB       SER 295 -10.915  15.352   2.634
  146    HG   SER 295           HG       SER 295 -13.056  13.805   1.967
  147    H    LEU 296           H        LEU 296  -8.833  14.649   1.750
  148    HA   LEU 296           HA       LEU 296  -6.936  13.159   3.433
  149   1HB   LEU 296          1HB       LEU 296  -6.379  14.965   1.079
  150   2HB   LEU 296          2HB       LEU 296  -5.184  14.052   1.979
  151    HG   LEU 296           HG       LEU 296  -7.398  12.869   0.296
  152   1HD1  LEU 296          1HD1      LEU 296  -5.442  12.081  -1.079
  153   2HD1  LEU 296          2HD1      LEU 296  -4.445  13.213  -0.164
  154   3HD1  LEU 296          3HD1      LEU 296  -5.779  13.811  -1.150
  155   1HD2  LEU 296          1HD2      LEU 296  -5.152  11.546   1.817
  156   2HD2  LEU 296          2HD2      LEU 296  -6.242  10.734   0.693
  157   3HD2  LEU 296          3HD2      LEU 296  -6.873  11.436   2.183
  158    H    GLN 297           H        GLN 297  -4.886  14.905   3.672
  159    HA   GLN 297           HA       GLN 297  -6.067  17.015   5.339
  160   1HB   GLN 297          1HB       GLN 297  -4.008  17.032   6.592
  161   2HB   GLN 297          2HB       GLN 297  -4.576  15.375   6.459
  162   1HG   GLN 297          1HG       GLN 297  -2.464  16.573   4.686
  163   2HG   GLN 297          2HG       GLN 297  -2.123  15.672   6.162
  164   1HE2  GLN 297          1HE2      GLN 297  -1.400  15.102   3.388
  165   2HE2  GLN 297          2HE2      GLN 297  -2.039  13.535   3.043
  166    H    ASN 298           H        ASN 298  -4.830  19.067   5.489
  167    HA   ASN 298           HA       ASN 298  -3.541  19.767   2.936
  168   1HB   ASN 298          1HB       ASN 298  -5.809  20.641   2.889
  169   2HB   ASN 298          2HB       ASN 298  -5.580  21.402   4.460
  170   1HD2  ASN 298          1HD2      ASN 298  -4.808  21.519   1.073
  171   2HD2  ASN 298          2HD2      ASN 298  -4.185  23.131   1.065
  172    H    ASN 299           H        ASN 299  -3.942  20.522   6.362
  173    HA   ASN 299           HA       ASN 299  -1.644  22.298   6.348
  174   1HB   ASN 299          1HB       ASN 299  -3.714  22.710   7.739
  175   2HB   ASN 299          2HB       ASN 299  -3.233  21.339   8.734
  176   1HD2  ASN 299          1HD2      ASN 299  -3.545  24.154   9.431
  177   2HD2  ASN 299          2HD2      ASN 299  -2.022  24.658  10.071
  178    H    GLN 300           H        GLN 300   0.361  21.585   6.562
  179    HA   GLN 300           HA       GLN 300   2.166  20.297   7.057
  180   1HB   GLN 300          1HB       GLN 300   0.412  19.532   9.393
  181   2HB   GLN 300          2HB       GLN 300   2.101  19.068   9.242
  182   1HG   GLN 300          1HG       GLN 300   2.836  21.283   9.426
  183   2HG   GLN 300          2HG       GLN 300   1.216  21.931   9.181
  184   1HE2  GLN 300          1HE2      GLN 300   3.096  22.397  11.357
  185   2HE2  GLN 300          2HE2      GLN 300   2.282  21.928  12.806
  186    HA   PRO 301           HA       PRO 301   0.470  16.503   5.138
  187   1HB   PRO 301          1HB       PRO 301   2.182  16.367   3.083
  188   2HB   PRO 301          2HB       PRO 301   0.818  17.491   3.072
  189   1HG   PRO 301          1HG       PRO 301   3.701  18.018   3.660
  190   2HG   PRO 301          2HG       PRO 301   2.554  18.989   2.722
  191   1HD   PRO 301          1HD       PRO 301   3.244  19.492   5.344
  192   2HD   PRO 301          2HD       PRO 301   1.732  20.024   4.584
  193    H    VAL 302           H        VAL 302   2.016  16.391   7.447
  194    HA   VAL 302           HA       VAL 302   4.525  15.224   7.286
  195    HB   VAL 302           HB       VAL 302   2.412  14.500   9.320
  196   1HG1  VAL 302          1HG1      VAL 302   5.425  14.501   9.457
  197   2HG1  VAL 302          2HG1      VAL 302   4.379  13.081   9.404
  198   3HG1  VAL 302          3HG1      VAL 302   4.340  14.154  10.804
  199   1HG2  VAL 302          1HG2      VAL 302   4.270  16.871   9.209
  200   2HG2  VAL 302          2HG2      VAL 302   3.410  16.362  10.662
  201   3HG2  VAL 302          3HG2      VAL 302   2.507  16.886   9.242
  202    H    GLU 303           H        GLU 303   1.349  13.630   7.369
  203    HA   GLU 303           HA       GLU 303   2.223  10.988   7.257
  204   1HB   GLU 303          1HB       GLU 303  -0.294  12.197   6.098
  205   2HB   GLU 303          2HB       GLU 303  -0.024  10.479   6.354
  206   1HG   GLU 303          1HG       GLU 303   0.148  10.848   8.751
  207   2HG   GLU 303          2HG       GLU 303  -0.076  12.580   8.509
  208    H    PHE 304           H        PHE 304   1.561  13.287   4.651
  209    HA   PHE 304           HA       PHE 304   1.898  11.520   2.497
  210   1HB   PHE 304          1HB       PHE 304   0.924  13.816   2.339
  211   2HB   PHE 304          2HB       PHE 304   2.543  14.475   2.543
  212    HD1  PHE 304           HD1      PHE 304   3.755  15.006   0.665
  213    HD2  PHE 304           HD2      PHE 304   0.689  12.067   0.386
  214    HE1  PHE 304           HE1      PHE 304   4.119  14.860  -1.766
  215    HE2  PHE 304           HE2      PHE 304   1.049  11.915  -2.042
  216    HZ   PHE 304           HZ       PHE 304   2.766  13.313  -3.122
  217    H    ASN 305           H        ASN 305   4.192  13.459   4.336
  218    HA   ASN 305           HA       ASN 305   6.455  13.059   2.732
  219   1HB   ASN 305          1HB       ASN 305   6.258  14.711   4.609
  220   2HB   ASN 305          2HB       ASN 305   6.407  13.372   5.741
  221   1HD2  ASN 305          1HD2      ASN 305   8.112  15.699   5.357
  222   2HD2  ASN 305          2HD2      ASN 305   9.691  15.087   5.012
  223    H    HIS 306           H        HIS 306   5.300  11.263   5.581
  224    HA   HIS 306           HA       HIS 306   7.342   9.331   5.579
  225   1HB   HIS 306          1HB       HIS 306   4.527   9.297   6.661
  226   2HB   HIS 306          2HB       HIS 306   5.634   7.946   6.874
  227    HD1  HIS 306           HD1      HIS 306   4.824  11.306   8.175
  228    HD2  HIS 306           HD2      HIS 306   7.884   8.518   8.546
  229    HE1  HIS 306           HE1      HIS 306   6.154  12.030  10.183
  230    HE2  HIS 306           HE2      HIS 306   7.943  10.274  10.444
  231    H    ALA 307           H        ALA 307   4.338   9.574   3.799
  232    HA   ALA 307           HA       ALA 307   4.140   6.923   2.892
  233   1HB   ALA 307          1HB       ALA 307   3.253   9.443   1.488
  234   2HB   ALA 307          2HB       ALA 307   2.320   8.553   2.691
  235   3HB   ALA 307          3HB       ALA 307   2.696   7.805   1.139
  236    H    ILE 308           H        ILE 308   5.533   9.774   1.253
  237    HA   ILE 308           HA       ILE 308   6.534   8.382  -0.970
  238    HB   ILE 308           HB       ILE 308   7.380  10.992   0.280
  239   1HG1  ILE 308          1HG1      ILE 308   5.846  10.311  -2.240
  240   2HG1  ILE 308          2HG1      ILE 308   5.150  10.926  -0.745
  241   1HG2  ILE 308          1HG2      ILE 308   8.648  11.418  -1.804
  242   2HG2  ILE 308          2HG2      ILE 308   8.380   9.740  -2.274
  243   3HG2  ILE 308          3HG2      ILE 308   9.328  10.110  -0.836
  244   1HD1  ILE 308          1HD1      ILE 308   5.342  12.676  -2.407
  245   2HD1  ILE 308          2HD1      ILE 308   7.078  12.391  -2.531
  246   3HD1  ILE 308          3HD1      ILE 308   6.391  13.010  -1.030
  247    H    ASN 309           H        ASN 309   7.989   9.130   2.164
  248    HA   ASN 309           HA       ASN 309  10.584   8.205   1.557
  249   1HB   ASN 309          1HB       ASN 309   9.119   8.486   4.183
  250   2HB   ASN 309          2HB       ASN 309  10.812   8.019   4.068
  251   1HD2  ASN 309          1HD2      ASN 309  11.471   9.847   5.186
  252   2HD2  ASN 309          2HD2      ASN 309  11.468  11.417   4.464
  253    H    TYR 310           H        TYR 310   7.653   6.582   2.513
  254    HA   TYR 310           HA       TYR 310   8.861   4.119   3.283
  255   1HB   TYR 310          1HB       TYR 310   6.647   4.652   4.079
  256   2HB   TYR 310          2HB       TYR 310   6.040   4.804   2.435
  257    HD1  TYR 310           HD1      TYR 310   7.437   2.351   4.855
  258    HD2  TYR 310           HD2      TYR 310   5.140   2.946   1.322
  259    HE1  TYR 310           HE1      TYR 310   6.778  -0.018   4.890
  260    HE2  TYR 310           HE2      TYR 310   4.477   0.578   1.348
  261    HH   TYR 310           HH       TYR 310   4.933  -1.430   4.025
  262    H    VAL 311           H        VAL 311   7.044   5.061   0.357
  263    HA   VAL 311           HA       VAL 311   7.528   2.694  -1.072
  264    HB   VAL 311           HB       VAL 311   7.081   5.456  -2.215
  265   1HG1  VAL 311          1HG1      VAL 311   7.893   3.917  -3.891
  266   2HG1  VAL 311          2HG1      VAL 311   6.176   4.224  -4.156
  267   3HG1  VAL 311          3HG1      VAL 311   6.696   2.714  -3.410
  268   1HG2  VAL 311          1HG2      VAL 311   5.321   4.858  -0.640
  269   2HG2  VAL 311          2HG2      VAL 311   5.086   3.319  -1.469
  270   3HG2  VAL 311          3HG2      VAL 311   4.712   4.831  -2.295
  271    H    ASN 312           H        ASN 312   9.383   5.652  -0.740
  272    HA   ASN 312           HA       ASN 312  11.271   5.053  -2.788
  273   1HB   ASN 312          1HB       ASN 312  10.857   7.354  -1.999
  274   2HB   ASN 312          2HB       ASN 312  11.520   6.928  -0.425
  275   1HD2  ASN 312          1HD2      ASN 312  13.726   6.623  -0.198
  276   2HD2  ASN 312          2HD2      ASN 312  14.857   7.155  -1.391
  277    H    LYS 313           H        LYS 313  11.044   4.409   0.648
  278    HA   LYS 313           HA       LYS 313  13.712   3.591   1.066
  279   1HB   LYS 313          1HB       LYS 313  12.161   4.153   2.900
  280   2HB   LYS 313          2HB       LYS 313  11.210   2.723   2.527
  281   1HG   LYS 313          1HG       LYS 313  13.073   1.293   3.121
  282   2HG   LYS 313          2HG       LYS 313  14.086   2.708   3.421
  283   1HD   LYS 313          1HD       LYS 313  12.576   3.405   5.218
  284   2HD   LYS 313          2HD       LYS 313  11.560   1.994   4.914
  285   1HE   LYS 313          1HE       LYS 313  13.042   1.622   6.819
  286   2HE   LYS 313          2HE       LYS 313  13.418   0.523   5.493
  287   1HZ   LYS 313          1HZ       LYS 313  15.260   1.951   4.870
  288   2HZ   LYS 313          2HZ       LYS 313  15.420   1.452   6.479
  289   3HZ   LYS 313          3HZ       LYS 313  14.893   3.020   6.130
  290    H    ILE 314           H        ILE 314  10.775   1.805   0.195
  291    HA   ILE 314           HA       ILE 314  12.026  -0.754   0.168
  292    HB   ILE 314           HB       ILE 314   9.491   0.179  -1.188
  293   1HG1  ILE 314          1HG1      ILE 314   9.899  -1.365   1.383
  294   2HG1  ILE 314          2HG1      ILE 314   9.520   0.352   1.292
  295   1HG2  ILE 314          1HG2      ILE 314  10.368  -1.811  -2.276
  296   2HG2  ILE 314          2HG2      ILE 314   8.920  -2.202  -1.348
  297   3HG2  ILE 314          3HG2      ILE 314  10.512  -2.619  -0.715
  298   1HD1  ILE 314          1HD1      ILE 314   7.394  -0.173   0.222
  299   2HD1  ILE 314          2HD1      ILE 314   7.546  -0.958   1.794
  300   3HD1  ILE 314          3HD1      ILE 314   7.773  -1.893   0.316
  301    H    LYS 315           H        LYS 315  11.323   1.661  -2.314
  302    HA   LYS 315           HA       LYS 315  12.154   0.116  -4.526
  303   1HB   LYS 315          1HB       LYS 315  10.744   2.143  -4.697
  304   2HB   LYS 315          2HB       LYS 315  12.127   3.124  -4.236
  305   1HG   LYS 315          1HG       LYS 315  13.299   2.497  -6.246
  306   2HG   LYS 315          2HG       LYS 315  12.002   1.384  -6.689
  307   1HD   LYS 315          1HD       LYS 315  10.446   3.259  -6.873
  308   2HD   LYS 315          2HD       LYS 315  11.726   4.377  -6.400
  309   1HE   LYS 315          1HE       LYS 315  11.398   4.373  -8.821
  310   2HE   LYS 315          2HE       LYS 315  13.000   3.778  -8.391
  311   1HZ   LYS 315          1HZ       LYS 315  10.660   2.106  -9.130
  312   2HZ   LYS 315          2HZ       LYS 315  12.176   1.512  -8.676
  313   3HZ   LYS 315          3HZ       LYS 315  12.012   2.409 -10.099
  314    H    ASN 316           H        ASN 316  13.881   2.104  -2.232
  315    HA   ASN 316           HA       ASN 316  16.314   2.196  -3.758
  316   1HB   ASN 316          1HB       ASN 316  15.633   3.946  -2.098
  317   2HB   ASN 316          2HB       ASN 316  15.928   2.777  -0.816
  318   1HD2  ASN 316          1HD2      ASN 316  17.192   5.344  -1.332
  319   2HD2  ASN 316          2HD2      ASN 316  18.883   5.025  -1.493
  320    H    ARG 317           H        ARG 317  15.243   0.447  -0.846
  321    HA   ARG 317           HA       ARG 317  17.639  -1.008  -0.492
  322   1HB   ARG 317          1HB       ARG 317  15.911  -0.699   1.265
  323   2HB   ARG 317          2HB       ARG 317  14.842  -1.770   0.371
  324   1HG   ARG 317          1HG       ARG 317  15.864  -2.985   2.168
  325   2HG   ARG 317          2HG       ARG 317  16.497  -3.583   0.633
  326   1HD   ARG 317          1HD       ARG 317  18.277  -3.338   2.283
  327   2HD   ARG 317          2HD       ARG 317  18.509  -2.232   0.930
  328    HE   ARG 317           HE       ARG 317  17.114  -1.089   3.181
  329   1HH1  ARG 317          1HH1      ARG 317  20.206  -1.686   1.693
  330   2HH1  ARG 317          2HH1      ARG 317  21.005  -0.401   2.537
  331   1HH2  ARG 317          1HH2      ARG 317  18.157   0.607   4.295
  332   2HH2  ARG 317          2HH2      ARG 317  19.839   0.903   4.015
  333    H    PHE 318           H        PHE 318  14.499  -2.063  -1.813
  334    HA   PHE 318           HA       PHE 318  15.684  -4.468  -2.897
  335   1HB   PHE 318          1HB       PHE 318  12.878  -3.351  -3.061
  336   2HB   PHE 318          2HB       PHE 318  13.367  -4.902  -3.735
  337    HD1  PHE 318           HD1      PHE 318  12.921  -3.004  -0.609
  338    HD2  PHE 318           HD2      PHE 318  13.622  -6.816  -2.367
  339    HE1  PHE 318           HE1      PHE 318  12.492  -4.080   1.561
  340    HE2  PHE 318           HE2      PHE 318  13.192  -7.898  -0.200
  341    HZ   PHE 318           HZ       PHE 318  12.626  -6.530   1.769
  342    H    GLN 319           H        GLN 319  16.659  -1.928  -3.913
  343    HA   GLN 319           HA       GLN 319  15.594  -1.255  -6.410
  344   1HB   GLN 319          1HB       GLN 319  17.237   0.118  -5.171
  345   2HB   GLN 319          2HB       GLN 319  18.476  -1.083  -5.511
  346   1HG   GLN 319          1HG       GLN 319  18.271  -0.649  -7.892
  347   2HG   GLN 319          2HG       GLN 319  16.987   0.519  -7.580
  348   1HE2  GLN 319          1HE2      GLN 319  17.499   2.507  -6.670
  349   2HE2  GLN 319          2HE2      GLN 319  19.117   3.112  -6.631
  350    H    GLY 320           H        GLY 320  18.109  -3.593  -5.523
  351   1HA   GLY 320          1HA       GLY 320  18.777  -4.355  -8.164
  352   2HA   GLY 320          2HA       GLY 320  19.097  -5.291  -6.712
  353    H    GLN 321           H        GLN 321  16.031  -5.058  -6.254
  354    HA   GLN 321           HA       GLN 321  15.277  -7.194  -8.138
  355   1HB   GLN 321          1HB       GLN 321  14.495  -6.984  -5.225
  356   2HB   GLN 321          2HB       GLN 321  13.980  -8.241  -6.343
  357   1HG   GLN 321          1HG       GLN 321  16.826  -7.717  -5.513
  358   2HG   GLN 321          2HG       GLN 321  15.782  -8.974  -4.848
  359   1HE2  GLN 321          1HE2      GLN 321  18.336  -9.149  -6.302
  360   2HE2  GLN 321          2HE2      GLN 321  18.032 -10.179  -7.655
  361    HA   PRO 322           HA       PRO 322  12.183  -3.835  -8.662
  362   1HB   PRO 322          1HB       PRO 322  11.649  -4.377 -11.261
  363   2HB   PRO 322          2HB       PRO 322  13.039  -3.406 -10.758
  364   1HG   PRO 322          1HG       PRO 322  12.928  -6.304 -11.508
  365   2HG   PRO 322          2HG       PRO 322  14.109  -5.070 -11.987
  366   1HD   PRO 322          1HD       PRO 322  14.602  -6.858 -10.019
  367   2HD   PRO 322          2HD       PRO 322  15.251  -5.205  -9.985
  368    H    ASP 323           H        ASP 323  12.111  -7.217  -8.775
  369    HA   ASP 323           HA       ASP 323   9.429  -7.637  -9.605
  370   1HB   ASP 323          1HB       ASP 323  11.223  -9.368  -7.888
  371   2HB   ASP 323          2HB       ASP 323   9.710  -9.888  -8.626
  372    H    ILE 324           H        ILE 324  10.960  -7.308  -6.421
  373    HA   ILE 324           HA       ILE 324   8.650  -7.770  -4.881
  374    HB   ILE 324           HB       ILE 324  11.001  -6.022  -4.142
  375   1HG1  ILE 324          1HG1      ILE 324  11.756  -8.244  -4.856
  376   2HG1  ILE 324          2HG1      ILE 324  11.964  -8.040  -3.120
  377   1HG2  ILE 324          1HG2      ILE 324   8.992  -7.488  -2.437
  378   2HG2  ILE 324          2HG2      ILE 324   9.106  -5.742  -2.655
  379   3HG2  ILE 324          3HG2      ILE 324  10.400  -6.614  -1.834
  380   1HD1  ILE 324          1HD1      ILE 324  11.137 -10.257  -3.660
  381   2HD1  ILE 324          2HD1      ILE 324   9.734  -9.550  -4.463
  382   3HD1  ILE 324          3HD1      ILE 324   9.947  -9.352  -2.723
  383    H    TYR 325           H        TYR 325   9.964  -4.872  -6.371
  384    HA   TYR 325           HA       TYR 325   8.260  -3.008  -5.097
  385   1HB   TYR 325          1HB       TYR 325  10.377  -2.429  -6.283
  386   2HB   TYR 325          2HB       TYR 325   9.577  -2.777  -7.811
  387    HD1  TYR 325           HD1      TYR 325   8.793  -0.782  -4.740
  388    HD2  TYR 325           HD2      TYR 325   8.948  -0.907  -8.990
  389    HE1  TYR 325           HE1      TYR 325   7.988   1.539  -4.831
  390    HE2  TYR 325           HE2      TYR 325   8.142   1.415  -9.092
  391    HH   TYR 325           HH       TYR 325   8.006   3.436  -6.347
  392    H    LYS 326           H        LYS 326   8.129  -4.425  -8.368
  393    HA   LYS 326           HA       LYS 326   5.657  -3.331  -9.095
  394   1HB   LYS 326          1HB       LYS 326   7.188  -4.314 -10.727
  395   2HB   LYS 326          2HB       LYS 326   6.957  -5.903 -10.013
  396   1HG   LYS 326          1HG       LYS 326   4.557  -5.776 -10.631
  397   2HG   LYS 326          2HG       LYS 326   4.895  -4.253 -11.459
  398   1HD   LYS 326          1HD       LYS 326   6.463  -5.389 -12.939
  399   2HD   LYS 326          2HD       LYS 326   6.181  -6.910 -12.091
  400   1HE   LYS 326          1HE       LYS 326   3.810  -6.811 -12.750
  401   2HE   LYS 326          2HE       LYS 326   4.135  -5.325 -13.641
  402   1HZ   LYS 326          1HZ       LYS 326   4.122  -7.272 -15.084
  403   2HZ   LYS 326          2HZ       LYS 326   5.385  -7.962 -14.196
  404   3HZ   LYS 326          3HZ       LYS 326   5.645  -6.537 -15.069
  405    H    ALA 327           H        ALA 327   6.484  -6.167  -7.231
  406    HA   ALA 327           HA       ALA 327   3.985  -7.467  -7.318
  407   1HB   ALA 327          1HB       ALA 327   6.081  -7.546  -5.149
  408   2HB   ALA 327          2HB       ALA 327   6.022  -8.587  -6.570
  409   3HB   ALA 327          3HB       ALA 327   4.755  -8.692  -5.349
  410    H    PHE 328           H        PHE 328   5.396  -5.432  -4.750
  411    HA   PHE 328           HA       PHE 328   3.191  -5.285  -3.087
  412   1HB   PHE 328          1HB       PHE 328   5.372  -4.448  -2.415
  413   2HB   PHE 328          2HB       PHE 328   5.301  -3.188  -3.639
  414    HD1  PHE 328           HD1      PHE 328   2.917  -4.375  -1.012
  415    HD2  PHE 328           HD2      PHE 328   5.103  -1.126  -2.679
  416    HE1  PHE 328           HE1      PHE 328   1.901  -2.855   0.631
  417    HE2  PHE 328           HE2      PHE 328   4.089   0.401  -1.039
  418    HZ   PHE 328           HZ       PHE 328   2.487  -0.463   0.620
  419    H    LEU 329           H        LEU 329   4.057  -3.192  -5.819
  420    HA   LEU 329           HA       LEU 329   1.929  -1.387  -5.609
  421   1HB   LEU 329          1HB       LEU 329   3.415  -2.341  -8.058
  422   2HB   LEU 329          2HB       LEU 329   2.315  -0.977  -8.042
  423    HG   LEU 329           HG       LEU 329   4.873  -1.160  -6.447
  424   1HD1  LEU 329          1HD1      LEU 329   5.695   0.544  -8.013
  425   2HD1  LEU 329          2HD1      LEU 329   4.214   0.378  -8.955
  426   3HD1  LEU 329          3HD1      LEU 329   5.330  -0.981  -8.820
  427   1HD2  LEU 329          1HD2      LEU 329   3.203   0.214  -5.341
  428   2HD2  LEU 329          2HD2      LEU 329   2.925   1.110  -6.835
  429   3HD2  LEU 329          3HD2      LEU 329   4.481   1.226  -6.014
  430    H    GLU 330           H        GLU 330   2.179  -4.492  -7.283
  431    HA   GLU 330           HA       GLU 330  -0.343  -4.400  -8.545
  432   1HB   GLU 330          1HB       GLU 330   1.457  -5.959  -9.202
  433   2HB   GLU 330          2HB       GLU 330   1.254  -6.819  -7.682
  434   1HG   GLU 330          1HG       GLU 330   0.149  -8.033  -9.423
  435   2HG   GLU 330          2HG       GLU 330  -1.065  -7.356  -8.339
  436    H    ILE 331           H        ILE 331   0.699  -5.394  -5.351
  437    HA   ILE 331           HA       ILE 331  -1.644  -6.757  -4.569
  438    HB   ILE 331           HB       ILE 331   0.360  -5.273  -2.861
  439   1HG1  ILE 331          1HG1      ILE 331   0.115  -8.232  -3.445
  440   2HG1  ILE 331          2HG1      ILE 331   1.259  -7.156  -4.238
  441   1HG2  ILE 331          1HG2      ILE 331  -0.503  -6.657  -1.011
  442   2HG2  ILE 331          2HG2      ILE 331  -1.771  -7.259  -2.079
  443   3HG2  ILE 331          3HG2      ILE 331  -1.715  -5.548  -1.652
  444   1HD1  ILE 331          1HD1      ILE 331   2.319  -6.698  -2.088
  445   2HD1  ILE 331          2HD1      ILE 331   2.323  -8.420  -2.464
  446   3HD1  ILE 331          3HD1      ILE 331   1.171  -7.776  -1.294
  447    H    LEU 332           H        LEU 332  -0.592  -3.401  -3.992
  448    HA   LEU 332           HA       LEU 332  -2.948  -2.612  -2.657
  449   1HB   LEU 332          1HB       LEU 332  -1.105  -0.826  -4.234
  450   2HB   LEU 332          2HB       LEU 332  -2.175  -0.353  -2.929
  451    HG   LEU 332           HG       LEU 332   0.393  -1.911  -2.751
  452   1HD1  LEU 332          1HD1      LEU 332   0.796   0.396  -2.708
  453   2HD1  LEU 332          2HD1      LEU 332   0.801  -0.098  -1.013
  454   3HD1  LEU 332          3HD1      LEU 332  -0.612   0.709  -1.693
  455   1HD2  LEU 332          1HD2      LEU 332  -1.219  -3.062  -1.336
  456   2HD2  LEU 332          2HD2      LEU 332  -1.668  -1.532  -0.581
  457   3HD2  LEU 332          3HD2      LEU 332  -0.044  -2.184  -0.355
  458    H    HIS 333           H        HIS 333  -2.008  -2.502  -6.063
  459    HA   HIS 333           HA       HIS 333  -4.143  -0.959  -7.012
  460   1HB   HIS 333          1HB       HIS 333  -2.507  -3.110  -8.361
  461   2HB   HIS 333          2HB       HIS 333  -3.695  -2.127  -9.210
  462    HD1  HIS 333           HD1      HIS 333  -0.623  -2.127  -9.856
  463    HD2  HIS 333           HD2      HIS 333  -2.593   0.680  -7.510
  464    HE1  HIS 333           HE1      HIS 333   0.807  -0.060  -9.939
  465    HE2  HIS 333           HE2      HIS 333  -0.442   1.648  -8.571
  466    H    THR 334           H        THR 334  -3.814  -4.505  -6.878
  467    HA   THR 334           HA       THR 334  -6.344  -5.136  -7.876
  468    HB   THR 334           HB       THR 334  -4.777  -6.721  -5.832
  469    HG1  THR 334           HG1      THR 334  -3.642  -7.524  -7.515
  470   1HG2  THR 334          1HG2      THR 334  -6.822  -7.599  -7.877
  471   2HG2  THR 334          2HG2      THR 334  -7.095  -7.482  -6.139
  472   3HG2  THR 334          3HG2      THR 334  -5.939  -8.653  -6.772
  473    H    TYR 335           H        TYR 335  -5.277  -4.851  -4.489
  474    HA   TYR 335           HA       TYR 335  -7.772  -5.344  -3.315
  475   1HB   TYR 335          1HB       TYR 335  -5.756  -5.454  -1.992
  476   2HB   TYR 335          2HB       TYR 335  -5.405  -3.756  -2.305
  477    HD1  TYR 335           HD1      TYR 335  -6.256  -2.079  -0.902
  478    HD2  TYR 335           HD2      TYR 335  -7.808  -6.025  -0.616
  479    HE1  TYR 335           HE1      TYR 335  -7.489  -1.437   1.125
  480    HE2  TYR 335           HE2      TYR 335  -9.047  -5.399   1.414
  481    HH   TYR 335           HH       TYR 335  -8.914  -3.697   3.201
  482    H    GLN 336           H        GLN 336  -6.439  -2.477  -4.766
  483    HA   GLN 336           HA       GLN 336  -8.242  -0.614  -3.595
  484   1HB   GLN 336          1HB       GLN 336  -6.099   0.071  -4.587
  485   2HB   GLN 336          2HB       GLN 336  -6.675  -0.419  -6.174
  486   1HG   GLN 336          1HG       GLN 336  -6.815   1.983  -5.909
  487   2HG   GLN 336          2HG       GLN 336  -8.422   1.279  -6.074
  488   1HE2  GLN 336          1HE2      GLN 336  -6.535   1.103  -3.141
  489   2HE2  GLN 336          2HE2      GLN 336  -7.536   2.151  -2.202
  490    H    LYS 337           H        LYS 337  -8.195  -2.335  -6.702
  491    HA   LYS 337           HA       LYS 337 -10.554  -1.186  -7.734
  492   1HB   LYS 337          1HB       LYS 337  -9.342  -3.882  -8.349
  493   2HB   LYS 337          2HB       LYS 337 -10.552  -3.052  -9.316
  494   1HG   LYS 337          1HG       LYS 337  -8.979  -1.259  -9.784
  495   2HG   LYS 337          2HG       LYS 337  -7.762  -2.054  -8.783
  496   1HD   LYS 337          1HD       LYS 337  -7.294  -2.563 -11.078
  497   2HD   LYS 337          2HD       LYS 337  -7.901  -4.027 -10.304
  498   1HE   LYS 337          1HE       LYS 337  -8.916  -3.783 -12.483
  499   2HE   LYS 337          2HE       LYS 337 -10.137  -3.552 -11.234
  500   1HZ   LYS 337          1HZ       LYS 337  -8.763  -1.396 -12.746
  501   2HZ   LYS 337          2HZ       LYS 337  -9.896  -1.150 -11.516
  502   3HZ   LYS 337          3HZ       LYS 337 -10.365  -1.898 -12.958
  503    H    GLU 338           H        GLU 338  -9.978  -4.189  -5.940
  504    HA   GLU 338           HA       GLU 338 -12.617  -5.148  -6.026
  505   1HB   GLU 338          1HB       GLU 338 -10.490  -5.616  -3.929
  506   2HB   GLU 338          2HB       GLU 338 -11.956  -6.568  -4.122
  507   1HG   GLU 338          1HG       GLU 338  -9.689  -6.334  -6.084
  508   2HG   GLU 338          2HG       GLU 338 -10.096  -7.735  -5.096
  509    H    GLN 339           H        GLN 339 -10.930  -3.232  -3.546
  510    HA   GLN 339           HA       GLN 339 -13.099  -3.042  -1.767
  511   1HB   GLN 339          1HB       GLN 339 -10.733  -2.507  -1.197
  512   2HB   GLN 339          2HB       GLN 339 -10.866  -1.041  -2.159
  513   1HG   GLN 339          1HG       GLN 339 -11.132  -0.504   0.164
  514   2HG   GLN 339          2HG       GLN 339 -12.664  -0.258  -0.671
  515   1HE2  GLN 339          1HE2      GLN 339 -13.833  -0.435   1.239
  516   2HE2  GLN 339          2HE2      GLN 339 -14.074  -1.950   2.034
  517    H    ARG 340           H        ARG 340 -12.164  -1.138  -4.566
  518    HA   ARG 340           HA       ARG 340 -13.962   1.007  -4.155
  519   1HB   ARG 340          1HB       ARG 340 -12.036   1.138  -5.689
  520   2HB   ARG 340          2HB       ARG 340 -12.805  -0.039  -6.747
  521   1HG   ARG 340          1HG       ARG 340 -14.680   1.542  -7.072
  522   2HG   ARG 340          2HG       ARG 340 -13.800   2.729  -6.107
  523   1HD   ARG 340          1HD       ARG 340 -12.877   1.490  -8.698
  524   2HD   ARG 340          2HD       ARG 340 -13.469   3.136  -8.482
  525    HE   ARG 340           HE       ARG 340 -11.375   2.947  -6.750
  526   1HH1  ARG 340          1HH1      ARG 340 -11.778   2.391 -10.166
  527   2HH1  ARG 340          2HH1      ARG 340 -10.151   2.831 -10.561
  528   1HH2  ARG 340          1HH2      ARG 340  -9.229   3.523  -7.260
  529   2HH2  ARG 340          2HH2      ARG 340  -8.699   3.470  -8.908
  530    H    ASN 341           H        ASN 341 -14.217  -2.065  -5.875
  531    HA   ASN 341           HA       ASN 341 -16.774  -1.572  -7.004
  532   1HB   ASN 341          1HB       ASN 341 -15.378  -4.191  -6.405
  533   2HB   ASN 341          2HB       ASN 341 -16.821  -4.019  -7.401
  534   1HD2  ASN 341          1HD2      ASN 341 -14.187  -5.055  -8.084
  535   2HD2  ASN 341          2HD2      ASN 341 -13.626  -4.099  -9.409
  536    H    ALA 342           H        ALA 342 -15.665  -2.955  -3.976
  537    HA   ALA 342           HA       ALA 342 -18.135  -4.015  -3.111
  538   1HB   ALA 342          1HB       ALA 342 -17.123  -4.084  -0.896
  539   2HB   ALA 342          2HB       ALA 342 -15.818  -3.034  -1.447
  540   3HB   ALA 342          3HB       ALA 342 -15.987  -4.656  -2.119
  541    H    LYS 343           H        LYS 343 -16.541  -0.899  -2.492
  542    HA   LYS 343           HA       LYS 343 -18.642   0.119  -0.868
  543   1HB   LYS 343          1HB       LYS 343 -16.451   1.570  -2.365
  544   2HB   LYS 343          2HB       LYS 343 -17.511   2.306  -1.171
  545   1HG   LYS 343          1HG       LYS 343 -15.616   0.030  -0.624
  546   2HG   LYS 343          2HG       LYS 343 -15.296   1.729  -0.270
  547   1HD   LYS 343          1HD       LYS 343 -17.605   0.148   0.858
  548   2HD   LYS 343          2HD       LYS 343 -16.081   0.433   1.700
  549   1HE   LYS 343          1HE       LYS 343 -16.476   2.844   1.600
  550   2HE   LYS 343          2HE       LYS 343 -17.993   2.563   0.745
  551   1HZ   LYS 343          1HZ       LYS 343 -17.362   1.662   3.504
  552   2HZ   LYS 343          2HZ       LYS 343 -18.811   1.363   2.684
  553   3HZ   LYS 343          3HZ       LYS 343 -18.380   2.948   3.089
  554    H    GLU 344           H        GLU 344 -17.939   0.199  -4.301
  555    HA   GLU 344           HA       GLU 344 -19.777   2.212  -5.028
  556   1HB   GLU 344          1HB       GLU 344 -17.886   1.157  -6.421
  557   2HB   GLU 344          2HB       GLU 344 -19.037  -0.120  -6.784
  558   1HG   GLU 344          1HG       GLU 344 -19.486   2.800  -7.359
  559   2HG   GLU 344          2HG       GLU 344 -18.888   1.625  -8.528
  560    H    ALA 345           H        ALA 345 -20.055  -1.318  -4.879
  561    HA   ALA 345           HA       ALA 345 -22.720  -1.464  -5.798
  562   1HB   ALA 345          1HB       ALA 345 -21.233  -3.403  -4.028
  563   2HB   ALA 345          2HB       ALA 345 -21.182  -3.380  -5.791
  564   3HB   ALA 345          3HB       ALA 345 -22.693  -3.744  -4.957
  565    H    GLY 346           H        GLY 346 -21.416  -0.362  -2.871
  566   1HA   GLY 346          1HA       GLY 346 -22.878   0.808  -1.342
  567   2HA   GLY 346          2HA       GLY 346 -24.099  -0.419  -1.651
  568    H    GLY 347           H        GLY 347 -24.366  -1.857  -0.095
  569   1HA   GLY 347          1HA       GLY 347 -22.167  -2.254   1.826
  570   2HA   GLY 347          2HA       GLY 347 -23.871  -2.508   2.173
  571    H    ASN 348           H        ASN 348 -23.637  -3.751  -0.767
  572    HA   ASN 348           HA       ASN 348 -23.165  -6.459   0.254
  573   1HB   ASN 348          1HB       ASN 348 -24.459  -5.592  -2.341
  574   2HB   ASN 348          2HB       ASN 348 -24.408  -7.229  -1.697
  575   1HD2  ASN 348          1HD2      ASN 348 -25.839  -4.086  -1.433
  576   2HD2  ASN 348          2HD2      ASN 348 -27.124  -4.532  -0.370
  577    H    TYR 349           H        TYR 349 -22.692  -7.717  -2.209
  578    HA   TYR 349           HA       TYR 349 -21.018  -8.320  -3.623
  579   1HB   TYR 349          1HB       TYR 349 -21.439  -6.056  -4.578
  580   2HB   TYR 349          2HB       TYR 349 -20.203  -5.409  -3.507
  581    HD1  TYR 349           HD1      TYR 349 -17.827  -5.992  -3.864
  582    HD2  TYR 349           HD2      TYR 349 -20.863  -7.255  -6.565
  583    HE1  TYR 349           HE1      TYR 349 -16.110  -6.479  -5.556
  584    HE2  TYR 349           HE2      TYR 349 -19.155  -7.745  -8.263
  585    HH   TYR 349           HH       TYR 349 -16.829  -7.017  -8.799
  586    H    THR 350           H        THR 350 -19.693  -9.654  -2.550
  587    HA   THR 350           HA       THR 350 -17.921  -8.678  -0.489
  588    HB   THR 350           HB       THR 350 -18.952 -10.838  -0.132
  589    HG1  THR 350           HG1      THR 350 -16.250 -10.467  -0.219
  590   1HG2  THR 350          1HG2      THR 350 -19.294 -11.614  -2.381
  591   2HG2  THR 350          2HG2      THR 350 -18.278 -12.788  -1.547
  592   3HG2  THR 350          3HG2      THR 350 -17.558 -11.649  -2.685
  593    HA   PRO 351           HA       PRO 351 -14.562  -8.018  -3.350
  594   1HB   PRO 351          1HB       PRO 351 -12.801  -7.701  -1.063
  595   2HB   PRO 351          2HB       PRO 351 -13.383  -6.476  -2.193
  596   1HG   PRO 351          1HG       PRO 351 -14.149  -6.582   0.417
  597   2HG   PRO 351          2HG       PRO 351 -15.170  -5.921  -0.872
  598   1HD   PRO 351          1HD       PRO 351 -15.279  -8.610   0.443
  599   2HD   PRO 351          2HD       PRO 351 -16.609  -7.535  -0.039
  600    H    ALA 352           H        ALA 352 -12.696  -9.060  -4.081
  601    HA   ALA 352           HA       ALA 352 -12.467 -11.817  -3.361
  602   1HB   ALA 352          1HB       ALA 352 -12.178 -11.055  -5.670
  603   2HB   ALA 352          2HB       ALA 352 -10.754 -11.921  -5.092
  604   3HB   ALA 352          3HB       ALA 352 -10.735 -10.160  -5.193
  605    H    LEU 353           H        LEU 353 -10.250  -9.037  -3.158
  606    HA   LEU 353           HA       LEU 353  -8.646 -10.540  -1.206
  607   1HB   LEU 353          1HB       LEU 353  -7.974  -8.252  -3.039
  608   2HB   LEU 353          2HB       LEU 353  -6.956  -8.666  -1.674
  609    HG   LEU 353           HG       LEU 353  -6.750 -10.983  -2.659
  610   1HD1  LEU 353          1HD1      LEU 353  -7.983  -9.619  -5.047
  611   2HD1  LEU 353          2HD1      LEU 353  -8.691 -10.935  -4.115
  612   3HD1  LEU 353          3HD1      LEU 353  -7.224 -11.210  -5.052
  613   1HD2  LEU 353          1HD2      LEU 353  -5.722  -8.656  -4.277
  614   2HD2  LEU 353          2HD2      LEU 353  -5.076 -10.297  -4.309
  615   3HD2  LEU 353          3HD2      LEU 353  -4.969  -9.335  -2.835
  616    H    THR 354           H        THR 354  -8.978 -10.045   0.849
  617    HA   THR 354           HA       THR 354 -10.048  -7.393   1.524
  618    HB   THR 354           HB       THR 354 -10.729  -8.368   3.664
  619    HG1  THR 354           HG1      THR 354 -10.425 -10.955   3.241
  620   1HG2  THR 354          1HG2      THR 354 -12.432  -9.919   2.838
  621   2HG2  THR 354          2HG2      THR 354 -11.555 -10.080   1.316
  622   3HG2  THR 354          3HG2      THR 354 -12.269  -8.531   1.763
  623    H    GLU 355           H        GLU 355  -9.372  -7.185   4.155
  624    HA   GLU 355           HA       GLU 355  -6.763  -6.164   4.059
  625   1HB   GLU 355          1HB       GLU 355  -8.447  -6.889   6.463
  626   2HB   GLU 355          2HB       GLU 355  -6.983  -5.918   6.518
  627   1HG   GLU 355          1HG       GLU 355  -8.049  -4.242   5.091
  628   2HG   GLU 355          2HG       GLU 355  -9.521  -5.211   5.062
  629    H    GLN 356           H        GLN 356  -8.026  -9.239   5.226
  630    HA   GLN 356           HA       GLN 356  -5.610 -10.146   6.402
  631   1HB   GLN 356          1HB       GLN 356  -7.832 -11.104   6.922
  632   2HB   GLN 356          2HB       GLN 356  -7.910 -11.773   5.299
  633   1HG   GLN 356          1HG       GLN 356  -5.924 -13.133   5.782
  634   2HG   GLN 356          2HG       GLN 356  -5.903 -12.489   7.422
  635   1HE2  GLN 356          1HE2      GLN 356  -6.195 -15.238   6.491
  636   2HE2  GLN 356          2HE2      GLN 356  -7.688 -15.808   7.147
  637    H    GLU 357           H        GLU 357  -7.045 -10.525   3.196
  638    HA   GLU 357           HA       GLU 357  -5.203 -12.346   2.137
  639   1HB   GLU 357          1HB       GLU 357  -6.769 -10.172   0.737
  640   2HB   GLU 357          2HB       GLU 357  -5.928 -11.485  -0.076
  641   1HG   GLU 357          1HG       GLU 357  -8.164 -11.850   1.903
  642   2HG   GLU 357          2HG       GLU 357  -8.356 -11.853   0.151
  643    H    VAL 358           H        VAL 358  -5.212  -8.791   2.084
  644    HA   VAL 358           HA       VAL 358  -2.839  -8.479   0.608
  645    HB   VAL 358           HB       VAL 358  -4.142  -6.639   2.621
  646   1HG1  VAL 358          1HG1      VAL 358  -1.832  -6.012   2.519
  647   2HG1  VAL 358          2HG1      VAL 358  -2.754  -4.856   1.556
  648   3HG1  VAL 358          3HG1      VAL 358  -1.828  -6.125   0.759
  649   1HG2  VAL 358          1HG2      VAL 358  -4.119  -6.639  -0.392
  650   2HG2  VAL 358          2HG2      VAL 358  -4.896  -5.432   0.633
  651   3HG2  VAL 358          3HG2      VAL 358  -5.477  -7.098   0.636
  652    H    TYR 359           H        TYR 359  -3.336  -8.154   4.129
  653    HA   TYR 359           HA       TYR 359  -0.717  -7.822   4.900
  654   1HB   TYR 359          1HB       TYR 359  -2.657  -7.645   6.419
  655   2HB   TYR 359          2HB       TYR 359  -2.830  -9.396   6.385
  656    HD1  TYR 359           HD1      TYR 359  -0.339  -6.747   7.215
  657    HD2  TYR 359           HD2      TYR 359  -1.777 -10.669   8.016
  658    HE1  TYR 359           HE1      TYR 359   1.219  -6.924   9.111
  659    HE2  TYR 359           HE2      TYR 359  -0.224 -10.857   9.914
  660    HH   TYR 359           HH       TYR 359   1.901  -9.858  10.661
  661    H    ALA 360           H        ALA 360  -2.379 -10.795   4.048
  662    HA   ALA 360           HA       ALA 360  -0.396 -12.590   4.977
  663   1HB   ALA 360          1HB       ALA 360  -2.708 -13.267   4.508
  664   2HB   ALA 360          2HB       ALA 360  -1.538 -14.265   3.644
  665   3HB   ALA 360          3HB       ALA 360  -2.426 -13.005   2.787
  666    H    GLN 361           H        GLN 361  -1.134 -11.468   1.668
  667    HA   GLN 361           HA       GLN 361   1.050 -12.713   0.431
  668   1HB   GLN 361          1HB       GLN 361  -0.422 -10.205  -0.396
  669   2HB   GLN 361          2HB       GLN 361   0.655 -11.135  -1.429
  670   1HG   GLN 361          1HG       GLN 361  -0.842 -13.073  -1.210
  671   2HG   GLN 361          2HG       GLN 361  -1.934 -12.095  -0.233
  672   1HE2  GLN 361          1HE2      GLN 361  -0.163 -10.852  -2.971
  673   2HE2  GLN 361          2HE2      GLN 361  -1.530 -10.621  -4.001
  674    H    VAL 362           H        VAL 362   0.687  -9.348   1.535
  675    HA   VAL 362           HA       VAL 362   3.201  -8.412   0.822
  676    HB   VAL 362           HB       VAL 362   1.630  -7.584   3.271
  677   1HG1  VAL 362          1HG1      VAL 362   2.785  -5.460   3.043
  678   2HG1  VAL 362          2HG1      VAL 362   3.658  -6.064   1.634
  679   3HG1  VAL 362          3HG1      VAL 362   3.948  -6.773   3.224
  680   1HG2  VAL 362          1HG2      VAL 362   0.568  -5.921   1.885
  681   2HG2  VAL 362          2HG2      VAL 362   0.289  -7.514   1.186
  682   3HG2  VAL 362          3HG2      VAL 362   1.499  -6.444   0.483
  683    H    ALA 363           H        ALA 363   2.157 -10.056   3.785
  684    HA   ALA 363           HA       ALA 363   4.610  -9.851   5.163
  685   1HB   ALA 363          1HB       ALA 363   3.741 -11.613   6.608
  686   2HB   ALA 363          2HB       ALA 363   2.460 -11.949   5.443
  687   3HB   ALA 363          3HB       ALA 363   2.506 -10.399   6.284
  688    H    ARG 364           H        ARG 364   3.356 -12.176   2.849
  689    HA   ARG 364           HA       ARG 364   5.317 -14.169   3.185
  690   1HB   ARG 364          1HB       ARG 364   3.183 -14.512   1.979
  691   2HB   ARG 364          2HB       ARG 364   3.765 -13.472   0.687
  692   1HG   ARG 364          1HG       ARG 364   5.531 -15.030   0.170
  693   2HG   ARG 364          2HG       ARG 364   5.069 -16.048   1.534
  694   1HD   ARG 364          1HD       ARG 364   3.394 -15.444  -0.900
  695   2HD   ARG 364          2HD       ARG 364   4.210 -16.966  -0.547
  696    HE   ARG 364           HE       ARG 364   2.367 -16.144   1.499
  697   1HH1  ARG 364          1HH1      ARG 364   2.718 -17.836  -1.528
  698   2HH1  ARG 364          2HH1      ARG 364   1.296 -18.800  -1.300
  699   1HH2  ARG 364          1HH2      ARG 364   0.498 -17.412   1.807
  700   2HH2  ARG 364          2HH2      ARG 364   0.036 -18.559   0.596
  701    H    LEU 365           H        LEU 365   5.122 -11.410   0.959
  702    HA   LEU 365           HA       LEU 365   7.551 -11.927  -0.384
  703   1HB   LEU 365          1HB       LEU 365   6.116  -9.301   0.036
  704   2HB   LEU 365          2HB       LEU 365   7.399  -9.579  -1.125
  705    HG   LEU 365           HG       LEU 365   4.732 -10.992  -1.178
  706   1HD1  LEU 365          1HD1      LEU 365   4.187  -9.533  -3.051
  707   2HD1  LEU 365          2HD1      LEU 365   5.709  -8.669  -2.833
  708   3HD1  LEU 365          3HD1      LEU 365   4.467  -8.598  -1.583
  709   1HD2  LEU 365          1HD2      LEU 365   6.537 -12.257  -2.215
  710   2HD2  LEU 365          2HD2      LEU 365   6.976 -10.851  -3.187
  711   3HD2  LEU 365          3HD2      LEU 365   5.421 -11.644  -3.435
  712    H    PHE 366           H        PHE 366   6.754 -10.198   2.557
  713    HA   PHE 366           HA       PHE 366   9.607  -9.590   2.952
  714   1HB   PHE 366          1HB       PHE 366   7.201  -8.324   4.281
  715   2HB   PHE 366          2HB       PHE 366   8.881  -7.879   4.557
  716    HD1  PHE 366           HD1      PHE 366   5.990  -6.981   2.887
  717    HD2  PHE 366           HD2      PHE 366  10.188  -7.321   2.274
  718    HE1  PHE 366           HE1      PHE 366   5.849  -5.352   1.049
  719    HE2  PHE 366           HE2      PHE 366  10.055  -5.691   0.435
  720    HZ   PHE 366           HZ       PHE 366   7.884  -4.704  -0.180
  721    H    LYS 367           H        LYS 367   9.703 -11.940   3.541
  722    HA   LYS 367           HA       LYS 367   8.579 -12.624   6.133
  723   1HB   LYS 367          1HB       LYS 367   8.603 -14.294   4.312
  724   2HB   LYS 367          2HB       LYS 367  10.359 -14.234   4.291
  725   1HG   LYS 367          1HG       LYS 367  10.396 -15.059   6.608
  726   2HG   LYS 367          2HG       LYS 367   8.635 -15.177   6.571
  727   1HD   LYS 367          1HD       LYS 367   8.772 -16.785   4.739
  728   2HD   LYS 367          2HD       LYS 367  10.533 -16.651   4.743
  729   1HE   LYS 367          1HE       LYS 367   9.837 -18.648   5.931
  730   2HE   LYS 367          2HE       LYS 367  10.580 -17.500   7.044
  731   1HZ   LYS 367          1HZ       LYS 367   8.585 -18.468   7.988
  732   2HZ   LYS 367          2HZ       LYS 367   7.662 -17.919   6.682
  733   3HZ   LYS 367          3HZ       LYS 367   8.370 -16.808   7.744
  734    H    ASN 368           H        ASN 368  11.475 -11.374   4.828
  735    HA   ASN 368           HA       ASN 368  12.986 -12.043   7.257
  736   1HB   ASN 368          1HB       ASN 368  14.040 -12.635   5.099
  737   2HB   ASN 368          2HB       ASN 368  13.982 -10.942   4.620
  738   1HD2  ASN 368          1HD2      ASN 368  14.691 -12.043   7.863
  739   2HD2  ASN 368          2HD2      ASN 368  16.345 -11.547   7.875
  740    H    GLN 369           H        GLN 369  11.830  -9.377   5.286
  741    HA   GLN 369           HA       GLN 369  12.804  -7.490   7.324
  742   1HB   GLN 369          1HB       GLN 369  12.040  -6.965   4.446
  743   2HB   GLN 369          2HB       GLN 369  12.590  -5.750   5.591
  744   1HG   GLN 369          1HG       GLN 369  14.740  -6.914   5.774
  745   2HG   GLN 369          2HG       GLN 369  14.185  -8.099   4.592
  746   1HE2  GLN 369          1HE2      GLN 369  13.407  -4.703   4.420
  747   2HE2  GLN 369          2HE2      GLN 369  14.357  -4.353   3.020
  748    H    GLU 370           H        GLU 370  10.993  -7.977   8.684
  749    HA   GLU 370           HA       GLU 370   8.313  -7.520   7.794
  750   1HB   GLU 370          1HB       GLU 370   7.726  -7.736  10.181
  751   2HB   GLU 370          2HB       GLU 370   8.743  -9.058   9.624
  752   1HG   GLU 370          1HG       GLU 370  10.689  -7.997  10.644
  753   2HG   GLU 370          2HG       GLU 370   9.675  -6.664  11.194
  754    H    ASP 371           H        ASP 371  10.857  -5.524   8.903
  755    HA   ASP 371           HA       ASP 371   9.700  -3.446  10.229
  756   1HB   ASP 371          1HB       ASP 371  11.765  -3.244   8.028
  757   2HB   ASP 371          2HB       ASP 371  11.418  -1.987   9.213
  758    H    LEU 372           H        LEU 372   9.833  -3.792   6.683
  759    HA   LEU 372           HA       LEU 372   8.435  -1.435   6.089
  760   1HB   LEU 372          1HB       LEU 372   8.801  -4.010   4.579
  761   2HB   LEU 372          2HB       LEU 372   7.850  -2.692   3.924
  762    HG   LEU 372           HG       LEU 372  10.009  -2.537   2.950
  763   1HD1  LEU 372          1HD1      LEU 372  10.788  -0.360   3.676
  764   2HD1  LEU 372          2HD1      LEU 372   9.884  -0.517   5.182
  765   3HD1  LEU 372          3HD1      LEU 372   9.025  -0.403   3.647
  766   1HD2  LEU 372          1HD2      LEU 372  12.069  -2.520   4.158
  767   2HD2  LEU 372          2HD2      LEU 372  11.155  -3.943   4.659
  768   3HD2  LEU 372          3HD2      LEU 372  11.223  -2.525   5.706
  769    H    LEU 373           H        LEU 373   7.294  -4.742   6.638
  770    HA   LEU 373           HA       LEU 373   4.595  -4.322   6.023
  771   1HB   LEU 373          1HB       LEU 373   5.703  -6.538   6.392
  772   2HB   LEU 373          2HB       LEU 373   5.697  -6.202   8.112
  773    HG   LEU 373           HG       LEU 373   3.268  -6.203   8.146
  774   1HD1  LEU 373          1HD1      LEU 373   3.435  -6.797   5.197
  775   2HD1  LEU 373          2HD1      LEU 373   2.868  -5.290   5.915
  776   3HD1  LEU 373          3HD1      LEU 373   1.965  -6.783   6.172
  777   1HD2  LEU 373          1HD2      LEU 373   4.416  -8.329   8.454
  778   2HD2  LEU 373          2HD2      LEU 373   4.392  -8.604   6.711
  779   3HD2  LEU 373          3HD2      LEU 373   2.879  -8.559   7.618
  780    H    SER 374           H        SER 374   6.426  -3.817   8.987
  781    HA   SER 374           HA       SER 374   4.257  -3.264  10.693
  782   1HB   SER 374          1HB       SER 374   7.107  -2.241  10.831
  783   2HB   SER 374          2HB       SER 374   5.934  -2.175  12.145
  784    HG   SER 374           HG       SER 374   5.850  -4.502  11.998
  785    H    GLU 375           H        GLU 375   6.329  -1.152   8.731
  786    HA   GLU 375           HA       GLU 375   5.205   1.295   9.457
  787   1HB   GLU 375          1HB       GLU 375   6.337   0.488   6.770
  788   2HB   GLU 375          2HB       GLU 375   6.075   2.141   7.311
  789   1HG   GLU 375          1HG       GLU 375   7.987   0.149   8.510
  790   2HG   GLU 375          2HG       GLU 375   8.404   1.538   7.509
  791    H    PHE 376           H        PHE 376   4.231  -1.081   7.051
  792    HA   PHE 376           HA       PHE 376   2.162   0.443   5.869
  793   1HB   PHE 376          1HB       PHE 376   3.154  -1.559   4.811
  794   2HB   PHE 376          2HB       PHE 376   2.442  -2.566   6.066
  795    HD1  PHE 376           HD1      PHE 376   0.548  -3.706   5.478
  796    HD2  PHE 376           HD2      PHE 376   1.317   0.072   3.671
  797    HE1  PHE 376           HE1      PHE 376  -1.497  -3.939   4.126
  798    HE2  PHE 376           HE2      PHE 376  -0.726  -0.155   2.318
  799    HZ   PHE 376           HZ       PHE 376  -2.134  -2.163   2.546
  800    H    GLY 377           H        GLY 377   2.321  -1.688   8.654
  801   1HA   GLY 377          1HA       GLY 377  -0.476  -1.876   9.101
  802   2HA   GLY 377          2HA       GLY 377   0.784  -2.210  10.281
  803    H    GLN 378           H        GLN 378   1.980   0.418  10.154
  804    HA   GLN 378           HA       GLN 378   0.602   1.719  12.178
  805   1HB   GLN 378          1HB       GLN 378   2.527   2.851  10.142
  806   2HB   GLN 378          2HB       GLN 378   1.983   3.718  11.571
  807   1HG   GLN 378          1HG       GLN 378   2.957   1.959  12.984
  808   2HG   GLN 378          2HG       GLN 378   3.548   1.148  11.534
  809   1HE2  GLN 378          1HE2      GLN 378   3.897   3.901  13.627
  810   2HE2  GLN 378          2HE2      GLN 378   5.437   4.412  13.034
  811    H    PHE 379           H        PHE 379   0.760   2.715   8.753
  812    HA   PHE 379           HA       PHE 379  -1.171   4.733   8.913
  813   1HB   PHE 379          1HB       PHE 379  -0.259   3.019   6.602
  814   2HB   PHE 379          2HB       PHE 379  -1.404   4.342   6.415
  815    HD1  PHE 379           HD1      PHE 379  -0.695   6.618   6.491
  816    HD2  PHE 379           HD2      PHE 379   2.069   3.467   7.216
  817    HE1  PHE 379           HE1      PHE 379   1.169   8.206   6.258
  818    HE2  PHE 379           HE2      PHE 379   3.940   5.049   6.987
  819    HZ   PHE 379           HZ       PHE 379   3.490   7.422   6.506
  820    H    LEU 380           H        LEU 380  -1.477   1.272   8.481
  821    HA   LEU 380           HA       LEU 380  -4.196   1.241   7.687
  822   1HB   LEU 380          1HB       LEU 380  -2.524  -0.625   7.435
  823   2HB   LEU 380          2HB       LEU 380  -2.699  -0.929   9.151
  824    HG   LEU 380           HG       LEU 380  -5.135  -1.359   8.755
  825   1HD1  LEU 380          1HD1      LEU 380  -5.316  -0.116   6.636
  826   2HD1  LEU 380          2HD1      LEU 380  -5.902  -1.774   6.501
  827   3HD1  LEU 380          3HD1      LEU 380  -4.319  -1.344   5.853
  828   1HD2  LEU 380          1HD2      LEU 380  -4.793  -3.588   7.844
  829   2HD2  LEU 380          2HD2      LEU 380  -3.502  -3.171   8.971
  830   3HD2  LEU 380          3HD2      LEU 380  -3.209  -3.109   7.233
  831    HA   PRO 381           HA       PRO 381  -5.802   2.210  11.775
  832   1HB   PRO 381          1HB       PRO 381  -8.379   2.478  11.112
  833   2HB   PRO 381          2HB       PRO 381  -7.173   3.676  10.624
  834   1HG   PRO 381          1HG       PRO 381  -8.395   1.458   9.028
  835   2HG   PRO 381          2HG       PRO 381  -8.060   3.132   8.546
  836   1HD   PRO 381          1HD       PRO 381  -6.446   0.995   7.926
  837   2HD   PRO 381          2HD       PRO 381  -5.879   2.672   8.037
  838    H    ASP 382           H        ASP 382  -5.534  -0.653  10.663
  839    HA   ASP 382           HA       ASP 382  -7.524  -1.828  12.477
  840   1HB   ASP 382          1HB       ASP 382  -6.773  -2.872   9.738
  841   2HB   ASP 382          2HB       ASP 382  -7.770  -3.738  10.904
  842    H    ALA 383           H        ALA 383  -4.455  -1.216  12.252
  843    HA   ALA 383           HA       ALA 383  -3.569  -3.887  13.132
  844   1HB   ALA 383          1HB       ALA 383  -1.319  -3.282  12.427
  845   2HB   ALA 383          2HB       ALA 383  -1.890  -1.691  11.924
  846   3HB   ALA 383          3HB       ALA 383  -2.451  -3.136  11.084
  Start of MODEL    3
    1   1H    ARG   6          1H        ARG   6  -9.848   9.030   3.783
    2   2H    ARG   6          2H        ARG   6 -11.234   8.257   3.199
    3   3H    ARG   6          3H        ARG   6  -9.862   8.385   2.218
    4    HA   ARG   6           HA       ARG   6 -10.066   6.832   4.731
    5   1HB   ARG   6          1HB       ARG   6 -11.291   5.871   2.791
    6   2HB   ARG   6          2HB       ARG   6  -9.792   5.880   1.873
    7   1HG   ARG   6          1HG       ARG   6  -8.801   4.348   3.526
    8   2HG   ARG   6          2HG       ARG   6 -10.346   4.299   4.375
    9   1HD   ARG   6          1HD       ARG   6  -9.839   3.418   1.537
   10   2HD   ARG   6          2HD       ARG   6 -10.088   2.361   2.926
   11    HE   ARG   6           HE       ARG   6 -12.275   4.135   2.616
   12   1HH1  ARG   6          1HH1      ARG   6 -10.844   1.271   1.243
   13   2HH1  ARG   6          2HH1      ARG   6 -12.344   0.659   0.631
   14   1HH2  ARG   6          1HH2      ARG   6 -14.254   3.340   1.811
   15   2HH2  ARG   6          2HH2      ARG   6 -14.284   1.835   0.954
   16    H    MET   7           H        MET   7  -8.176   7.140   5.744
   17    HA   MET   7           HA       MET   7  -5.706   7.207   4.159
   18   1HB   MET   7          1HB       MET   7  -6.077   9.085   5.707
   19   2HB   MET   7          2HB       MET   7  -6.183   7.956   7.051
   20   1HG   MET   7          1HG       MET   7  -3.831   7.226   6.394
   21   2HG   MET   7          2HG       MET   7  -3.790   8.683   5.405
   22   1HE   MET   7          1HE       MET   7  -4.191   8.614   9.998
   23   2HE   MET   7          2HE       MET   7  -3.887   7.187   9.005
   24   3HE   MET   7          3HE       MET   7  -5.449   8.005   8.921
   25    H    ASN   8           H        ASN   8  -4.818   5.259   3.892
   26    HA   ASN   8           HA       ASN   8  -3.867   3.751   6.072
   27   1HB   ASN   8          1HB       ASN   8  -5.191   1.722   5.867
   28   2HB   ASN   8          2HB       ASN   8  -6.235   3.082   6.265
   29   1HD2  ASN   8          1HD2      ASN   8  -6.306   4.197   3.625
   30   2HD2  ASN   8          2HD2      ASN   8  -7.262   3.139   2.653
   31    H    ILE   9           H        ILE   9  -4.811   3.711   2.667
   32    HA   ILE   9           HA       ILE   9  -2.190   2.611   2.003
   33    HB   ILE   9           HB       ILE   9  -4.795   1.338   1.166
   34   1HG1  ILE   9          1HG1      ILE   9  -2.333   0.175   2.487
   35   2HG1  ILE   9          2HG1      ILE   9  -3.801   0.643   3.340
   36   1HG2  ILE   9          1HG2      ILE   9  -2.031   0.845   0.065
   37   2HG2  ILE   9          2HG2      ILE   9  -3.404   1.533  -0.804
   38   3HG2  ILE   9          3HG2      ILE   9  -3.452  -0.145  -0.267
   39   1HD1  ILE   9          1HD1      ILE   9  -5.060  -1.036   2.130
   40   2HD1  ILE   9          2HD1      ILE   9  -3.683  -1.762   2.956
   41   3HD1  ILE   9          3HD1      ILE   9  -3.620  -1.481   1.217
   42    H    GLN  10           H        GLN  10  -5.170   4.170   1.016
   43    HA   GLN  10           HA       GLN  10  -4.684   4.683  -1.656
   44   1HB   GLN  10          1HB       GLN  10  -6.798   5.223  -0.553
   45   2HB   GLN  10          2HB       GLN  10  -6.009   6.488   0.377
   46   1HG   GLN  10          1HG       GLN  10  -5.547   7.717  -1.679
   47   2HG   GLN  10          2HG       GLN  10  -6.324   6.442  -2.617
   48   1HE2  GLN  10          1HE2      GLN  10  -7.872   7.838  -3.448
   49   2HE2  GLN  10          2HE2      GLN  10  -9.168   8.457  -2.488
   50    H    MET  11           H        MET  11  -3.424   6.320   1.191
   51    HA   MET  11           HA       MET  11  -2.270   8.540  -0.084
   52   1HB   MET  11          1HB       MET  11  -2.584   8.349   2.361
   53   2HB   MET  11          2HB       MET  11  -1.341   7.107   2.414
   54   1HG   MET  11          1HG       MET  11  -0.426   9.206   3.129
   55   2HG   MET  11          2HG       MET  11   0.297   8.735   1.592
   56   1HE   MET  11          1HE       MET  11  -2.962  11.977   2.013
   57   2HE   MET  11          2HE       MET  11  -2.271  11.105   3.381
   58   3HE   MET  11          3HE       MET  11  -3.281  10.255   2.211
   59    H    LEU  12           H        LEU  12  -0.928   5.360   0.744
   60    HA   LEU  12           HA       LEU  12   1.669   5.790  -0.206
   61   1HB   LEU  12          1HB       LEU  12   0.180   3.168  -0.278
   62   2HB   LEU  12          2HB       LEU  12   1.916   3.401  -0.206
   63    HG   LEU  12           HG       LEU  12  -0.007   4.150   1.997
   64   1HD1  LEU  12          1HD1      LEU  12   0.899   2.212   3.178
   65   2HD1  LEU  12          2HD1      LEU  12   1.853   1.789   1.755
   66   3HD1  LEU  12          3HD1      LEU  12   0.092   1.735   1.685
   67   1HD2  LEU  12          1HD2      LEU  12   3.007   4.086   1.897
   68   2HD2  LEU  12          2HD2      LEU  12   2.039   4.380   3.342
   69   3HD2  LEU  12          3HD2      LEU  12   1.991   5.524   2.001
   70    H    LEU  13           H        LEU  13  -1.271   4.721  -1.844
   71    HA   LEU  13           HA       LEU  13  -0.129   3.999  -4.300
   72   1HB   LEU  13          1HB       LEU  13  -2.835   4.783  -3.371
   73   2HB   LEU  13          2HB       LEU  13  -2.534   4.882  -5.094
   74    HG   LEU  13           HG       LEU  13  -3.570   2.756  -4.484
   75   1HD1  LEU  13          1HD1      LEU  13  -2.016   1.270  -5.608
   76   2HD1  LEU  13          2HD1      LEU  13  -0.704   2.419  -5.351
   77   3HD1  LEU  13          3HD1      LEU  13  -2.054   2.843  -6.404
   78   1HD2  LEU  13          1HD2      LEU  13  -2.714   2.557  -2.215
   79   2HD2  LEU  13          2HD2      LEU  13  -1.085   2.300  -2.841
   80   3HD2  LEU  13          3HD2      LEU  13  -2.351   1.113  -3.158
   81    H    GLU  14           H        GLU  14  -1.564   7.101  -3.286
   82    HA   GLU  14           HA       GLU  14  -1.099   8.492  -5.665
   83   1HB   GLU  14          1HB       GLU  14  -1.184   9.552  -2.835
   84   2HB   GLU  14          2HB       GLU  14  -1.282  10.542  -4.284
   85   1HG   GLU  14          1HG       GLU  14  -3.256   8.431  -3.442
   86   2HG   GLU  14          2HG       GLU  14  -3.478  10.176  -3.316
   87    H    ALA  15           H        ALA  15   0.986   7.914  -2.885
   88    HA   ALA  15           HA       ALA  15   3.038   9.714  -3.528
   89   1HB   ALA  15          1HB       ALA  15   2.851   8.615  -1.351
   90   2HB   ALA  15          2HB       ALA  15   4.447   8.375  -2.060
   91   3HB   ALA  15          3HB       ALA  15   3.263   7.070  -2.095
   92    H    ALA  16           H        ALA  16   2.922   6.195  -4.140
   93    HA   ALA  16           HA       ALA  16   5.240   6.044  -5.684
   94   1HB   ALA  16          1HB       ALA  16   4.077   4.092  -4.733
   95   2HB   ALA  16          2HB       ALA  16   4.424   3.898  -6.452
   96   3HB   ALA  16          3HB       ALA  16   2.790   4.301  -5.921
   97    H    ASP  17           H        ASP  17   1.905   6.716  -6.638
   98    HA   ASP  17           HA       ASP  17   2.336   6.634  -9.431
   99   1HB   ASP  17          1HB       ASP  17   0.095   6.500  -8.406
  100   2HB   ASP  17          2HB       ASP  17   0.244   8.174  -7.878
  101    H    TYR  18           H        TYR  18   2.743   9.120  -7.013
  102    HA   TYR  18           HA       TYR  18   2.987  11.325  -8.778
  103   1HB   TYR  18          1HB       TYR  18   2.495  11.687  -6.436
  104   2HB   TYR  18          2HB       TYR  18   3.991  10.895  -5.957
  105    HD1  TYR  18           HD1      TYR  18   6.145  12.033  -6.232
  106    HD2  TYR  18           HD2      TYR  18   2.487  13.973  -7.213
  107    HE1  TYR  18           HE1      TYR  18   7.302  14.203  -6.237
  108    HE2  TYR  18           HE2      TYR  18   3.636  16.147  -7.225
  109    HH   TYR  18           HH       TYR  18   5.660  17.166  -6.259
  110    H    LEU  19           H        LEU  19   5.464   9.503  -6.979
  111    HA   LEU  19           HA       LEU  19   7.696  10.712  -8.133
  112   1HB   LEU  19          1HB       LEU  19   7.572   7.843  -7.230
  113   2HB   LEU  19          2HB       LEU  19   8.971   8.899  -7.254
  114    HG   LEU  19           HG       LEU  19   6.575   9.353  -5.482
  115   1HD1  LEU  19          1HD1      LEU  19   7.884   8.417  -3.676
  116   2HD1  LEU  19          2HD1      LEU  19   9.216   8.079  -4.780
  117   3HD1  LEU  19          3HD1      LEU  19   7.687   7.220  -4.957
  118   1HD2  LEU  19          1HD2      LEU  19   9.367  10.492  -5.419
  119   2HD2  LEU  19          2HD2      LEU  19   8.061  10.865  -4.295
  120   3HD2  LEU  19          3HD2      LEU  19   7.928  11.338  -5.988
  121    H    GLU  20           H        GLU  20   5.901   7.824  -9.122
  122    HA   GLU  20           HA       GLU  20   7.582   6.962 -11.168
  123   1HB   GLU  20          1HB       GLU  20   5.681   5.662 -10.270
  124   2HB   GLU  20          2HB       GLU  20   4.568   6.767 -11.062
  125   1HG   GLU  20          1HG       GLU  20   4.825   4.716 -12.331
  126   2HG   GLU  20          2HG       GLU  20   5.430   6.102 -13.238
  127    H    ARG  21           H        ARG  21   4.795   9.166 -11.338
  128    HA   ARG  21           HA       ARG  21   4.149  10.703 -12.880
  129   1HB   ARG  21          1HB       ARG  21   6.305  11.726 -12.362
  130   2HB   ARG  21          2HB       ARG  21   7.099  10.698 -13.546
  131   1HG   ARG  21          1HG       ARG  21   5.848  11.770 -15.339
  132   2HG   ARG  21          2HG       ARG  21   5.012  12.783 -14.160
  133   1HD   ARG  21          1HD       ARG  21   7.981  12.757 -14.696
  134   2HD   ARG  21          2HD       ARG  21   6.841  13.994 -15.228
  135    HE   ARG  21           HE       ARG  21   6.567  13.845 -12.492
  136   1HH1  ARG  21          1HH1      ARG  21   9.130  14.560 -14.741
  137   2HH1  ARG  21          2HH1      ARG  21   9.962  15.621 -13.653
  138   1HH2  ARG  21          1HH2      ARG  21   7.648  15.242 -11.057
  139   2HH2  ARG  21          2HH2      ARG  21   9.117  16.010 -11.558
  140   1H    SER 295          1H        SER 295  -4.199  18.690  -5.539
  141   2H    SER 295          2H        SER 295  -3.796  17.852  -4.126
  142   3H    SER 295          3H        SER 295  -4.116  19.512  -4.063
  143    HA   SER 295           HA       SER 295  -6.399  19.150  -4.678
  144   1HB   SER 295          1HB       SER 295  -5.629  16.220  -4.615
  145   2HB   SER 295          2HB       SER 295  -7.271  16.834  -4.790
  146    HG   SER 295           HG       SER 295  -5.125  16.942  -6.603
  147    H    LEU 296           H        LEU 296  -4.250  17.556  -2.448
  148    HA   LEU 296           HA       LEU 296  -6.299  17.744  -0.344
  149   1HB   LEU 296          1HB       LEU 296  -3.748  16.130  -0.326
  150   2HB   LEU 296          2HB       LEU 296  -4.999  16.112   0.902
  151    HG   LEU 296           HG       LEU 296  -5.326  15.149  -1.941
  152   1HD1  LEU 296          1HD1      LEU 296  -3.885  13.710  -0.557
  153   2HD1  LEU 296          2HD1      LEU 296  -5.406  12.930  -0.993
  154   3HD1  LEU 296          3HD1      LEU 296  -5.183  13.584   0.630
  155   1HD2  LEU 296          1HD2      LEU 296  -7.484  14.282  -1.152
  156   2HD2  LEU 296          2HD2      LEU 296  -7.404  16.041  -1.063
  157   3HD2  LEU 296          3HD2      LEU 296  -7.223  15.075   0.402
  158    H    GLN 297           H        GLN 297  -5.908  18.867   1.512
  159    HA   GLN 297           HA       GLN 297  -3.308  20.186   1.817
  160   1HB   GLN 297          1HB       GLN 297  -4.387  22.325   2.318
  161   2HB   GLN 297          2HB       GLN 297  -4.767  21.793   0.686
  162   1HG   GLN 297          1HG       GLN 297  -6.604  21.336   3.016
  163   2HG   GLN 297          2HG       GLN 297  -6.661  22.787   2.017
  164   1HE2  GLN 297          1HE2      GLN 297  -7.314  22.616  -0.140
  165   2HE2  GLN 297          2HE2      GLN 297  -8.200  21.249  -0.716
  166    H    ASN 298           H        ASN 298  -5.789  18.408   3.124
  167    HA   ASN 298           HA       ASN 298  -5.319  19.335   5.865
  168   1HB   ASN 298          1HB       ASN 298  -7.367  17.387   4.783
  169   2HB   ASN 298          2HB       ASN 298  -7.251  17.919   6.458
  170   1HD2  ASN 298          1HD2      ASN 298  -7.856  20.017   6.996
  171   2HD2  ASN 298          2HD2      ASN 298  -8.806  20.997   5.936
  172    H    ASN 299           H        ASN 299  -5.730  17.127   7.347
  173    HA   ASN 299           HA       ASN 299  -4.693  15.313   8.242
  174   1HB   ASN 299          1HB       ASN 299  -4.114  14.622   5.353
  175   2HB   ASN 299          2HB       ASN 299  -4.001  13.515   6.717
  176   1HD2  ASN 299          1HD2      ASN 299  -6.351  14.547   8.044
  177   2HD2  ASN 299          2HD2      ASN 299  -7.713  13.987   7.141
  178    H    GLN 300           H        GLN 300  -3.154  17.820   7.222
  179    HA   GLN 300           HA       GLN 300  -1.061  18.659   7.441
  180   1HB   GLN 300          1HB       GLN 300  -0.525  16.038   8.842
  181   2HB   GLN 300          2HB       GLN 300   0.578  17.405   8.824
  182   1HG   GLN 300          1HG       GLN 300  -1.243  18.755   9.892
  183   2HG   GLN 300          2HG       GLN 300  -2.143  17.251  10.072
  184   1HE2  GLN 300          1HE2      GLN 300  -2.124  17.421  12.320
  185   2HE2  GLN 300          2HE2      GLN 300  -0.700  17.113  13.247
  186    HA   PRO 301           HA       PRO 301   1.104  17.012   3.939
  187   1HB   PRO 301          1HB       PRO 301   3.189  18.678   3.845
  188   2HB   PRO 301          2HB       PRO 301   1.545  19.260   3.552
  189   1HG   PRO 301          1HG       PRO 301   3.220  19.474   6.021
  190   2HG   PRO 301          2HG       PRO 301   2.162  20.686   5.277
  191   1HD   PRO 301          1HD       PRO 301   1.459  19.100   7.425
  192   2HD   PRO 301          2HD       PRO 301   0.303  19.867   6.319
  193    H    VAL 302           H        VAL 302   2.088  16.575   7.064
  194    HA   VAL 302           HA       VAL 302   4.773  15.671   6.643
  195    HB   VAL 302           HB       VAL 302   2.937  15.098   8.973
  196   1HG1  VAL 302          1HG1      VAL 302   5.021  14.721  10.214
  197   2HG1  VAL 302          2HG1      VAL 302   5.940  14.957   8.727
  198   3HG1  VAL 302          3HG1      VAL 302   4.838  13.587   8.876
  199   1HG2  VAL 302          1HG2      VAL 302   4.934  17.323   8.575
  200   2HG2  VAL 302          2HG2      VAL 302   4.063  16.985  10.070
  201   3HG2  VAL 302          3HG2      VAL 302   3.180  17.493   8.631
  202    H    GLU 303           H        GLU 303   1.638  14.068   7.104
  203    HA   GLU 303           HA       GLU 303   2.560  11.427   7.059
  204   1HB   GLU 303          1HB       GLU 303  -0.099  12.525   6.122
  205   2HB   GLU 303          2HB       GLU 303   0.241  10.827   6.432
  206   1HG   GLU 303          1HG       GLU 303   0.774  11.441   8.788
  207   2HG   GLU 303          2HG       GLU 303   0.217  13.074   8.431
  208    H    PHE 304           H        PHE 304   1.814  13.668   4.470
  209    HA   PHE 304           HA       PHE 304   1.828  11.838   2.330
  210   1HB   PHE 304          1HB       PHE 304   0.960  14.133   2.133
  211   2HB   PHE 304          2HB       PHE 304   2.587  14.771   2.348
  212    HD1  PHE 304           HD1      PHE 304   3.991  15.079   0.514
  213    HD2  PHE 304           HD2      PHE 304   0.514  12.659   0.115
  214    HE1  PHE 304           HE1      PHE 304   4.347  14.976  -1.918
  215    HE2  PHE 304           HE2      PHE 304   0.863  12.549  -2.318
  216    HZ   PHE 304           HZ       PHE 304   2.782  13.709  -3.337
  217    H    ASN 305           H        ASN 305   4.397  13.901   3.666
  218    HA   ASN 305           HA       ASN 305   6.454  13.075   1.957
  219   1HB   ASN 305          1HB       ASN 305   6.681  13.971   4.840
  220   2HB   ASN 305          2HB       ASN 305   7.985  13.956   3.657
  221   1HD2  ASN 305          1HD2      ASN 305   6.844  16.161   5.196
  222   2HD2  ASN 305          2HD2      ASN 305   6.330  17.335   4.037
  223    H    HIS 306           H        HIS 306   5.182  11.701   4.927
  224    HA   HIS 306           HA       HIS 306   7.228   9.789   5.342
  225   1HB   HIS 306          1HB       HIS 306   5.601  10.475   7.090
  226   2HB   HIS 306          2HB       HIS 306   4.326   9.651   6.198
  227    HD1  HIS 306           HD1      HIS 306   4.347   7.053   6.230
  228    HD2  HIS 306           HD2      HIS 306   7.298   8.822   8.559
  229    HE1  HIS 306           HE1      HIS 306   5.255   5.208   7.679
  230    HE2  HIS 306           HE2      HIS 306   7.101   6.283   9.014
  231    H    ALA 307           H        ALA 307   4.197   9.755   3.545
  232    HA   ALA 307           HA       ALA 307   4.121   7.017   2.919
  233   1HB   ALA 307          1HB       ALA 307   3.072   9.336   1.297
  234   2HB   ALA 307          2HB       ALA 307   2.210   8.519   2.600
  235   3HB   ALA 307          3HB       ALA 307   2.601   7.647   1.118
  236    H    ILE 308           H        ILE 308   5.488   9.780   1.153
  237    HA   ILE 308           HA       ILE 308   6.471   8.283  -1.031
  238    HB   ILE 308           HB       ILE 308   7.338  10.957   0.071
  239   1HG1  ILE 308          1HG1      ILE 308   5.635  10.184  -2.309
  240   2HG1  ILE 308          2HG1      ILE 308   5.046  10.871  -0.799
  241   1HG2  ILE 308          1HG2      ILE 308   9.199  10.000  -1.140
  242   2HG2  ILE 308          2HG2      ILE 308   8.477  11.297  -2.091
  243   3HG2  ILE 308          3HG2      ILE 308   8.150   9.614  -2.502
  244   1HD1  ILE 308          1HD1      ILE 308   6.851  12.231  -2.784
  245   2HD1  ILE 308          2HD1      ILE 308   6.296  12.923  -1.259
  246   3HD1  ILE 308          3HD1      ILE 308   5.135  12.550  -2.533
  247    H    ASN 309           H        ASN 309   7.844   9.143   2.090
  248    HA   ASN 309           HA       ASN 309  10.497   8.345   1.577
  249   1HB   ASN 309          1HB       ASN 309   9.898   9.741   3.498
  250   2HB   ASN 309          2HB       ASN 309   8.977   8.411   4.194
  251   1HD2  ASN 309          1HD2      ASN 309  10.216   8.413   6.060
  252   2HD2  ASN 309          2HD2      ASN 309  11.835   7.811   6.093
  253    H    TYR 310           H        TYR 310   7.688   6.594   2.809
  254    HA   TYR 310           HA       TYR 310   9.035   4.186   3.428
  255   1HB   TYR 310          1HB       TYR 310   6.839   4.702   4.353
  256   2HB   TYR 310          2HB       TYR 310   6.131   4.690   2.741
  257    HD1  TYR 310           HD1      TYR 310   8.112   2.438   4.980
  258    HD2  TYR 310           HD2      TYR 310   5.014   2.785   2.085
  259    HE1  TYR 310           HE1      TYR 310   7.622   0.041   5.225
  260    HE2  TYR 310           HE2      TYR 310   4.516   0.389   2.322
  261    HH   TYR 310           HH       TYR 310   5.642  -1.662   3.055
  262    H    VAL 311           H        VAL 311   6.983   5.041   0.635
  263    HA   VAL 311           HA       VAL 311   7.367   2.702  -0.826
  264    HB   VAL 311           HB       VAL 311   6.943   5.489  -1.923
  265   1HG1  VAL 311          1HG1      VAL 311   7.678   3.974  -3.657
  266   2HG1  VAL 311          2HG1      VAL 311   5.959   4.312  -3.858
  267   3HG1  VAL 311          3HG1      VAL 311   6.481   2.779  -3.163
  268   1HG2  VAL 311          1HG2      VAL 311   4.567   4.908  -1.934
  269   2HG2  VAL 311          2HG2      VAL 311   5.229   4.868  -0.301
  270   3HG2  VAL 311          3HG2      VAL 311   4.939   3.363  -1.171
  271    H    ASN 312           H        ASN 312   9.313   5.641  -0.671
  272    HA   ASN 312           HA       ASN 312  11.085   4.939  -2.776
  273   1HB   ASN 312          1HB       ASN 312  10.825   7.259  -1.987
  274   2HB   ASN 312          2HB       ASN 312  11.532   6.810  -0.439
  275   1HD2  ASN 312          1HD2      ASN 312  13.732   6.368  -0.314
  276   2HD2  ASN 312          2HD2      ASN 312  14.834   6.844  -1.556
  277    H    LYS 313           H        LYS 313  11.014   4.323   0.673
  278    HA   LYS 313           HA       LYS 313  13.656   3.403   0.982
  279   1HB   LYS 313          1HB       LYS 313  12.164   3.978   2.871
  280   2HB   LYS 313          2HB       LYS 313  11.182   2.565   2.510
  281   1HG   LYS 313          1HG       LYS 313  13.145   1.133   2.951
  282   2HG   LYS 313          2HG       LYS 313  14.052   2.574   3.416
  283   1HD   LYS 313          1HD       LYS 313  12.407   3.015   5.190
  284   2HD   LYS 313          2HD       LYS 313  11.541   1.546   4.736
  285   1HE   LYS 313          1HE       LYS 313  12.963   1.133   6.660
  286   2HE   LYS 313          2HE       LYS 313  13.531   0.219   5.264
  287   1HZ   LYS 313          1HZ       LYS 313  14.675   2.790   6.214
  288   2HZ   LYS 313          2HZ       LYS 313  15.232   1.887   4.899
  289   3HZ   LYS 313          3HZ       LYS 313  15.356   1.263   6.465
  290    H    ILE 314           H        ILE 314  10.638   1.730   0.186
  291    HA   ILE 314           HA       ILE 314  11.742  -0.879   0.106
  292    HB   ILE 314           HB       ILE 314   9.312   0.158  -1.361
  293   1HG1  ILE 314          1HG1      ILE 314   9.497  -1.181   1.347
  294   2HG1  ILE 314          2HG1      ILE 314   9.245   0.543   1.097
  295   1HG2  ILE 314          1HG2      ILE 314  10.096  -2.652  -0.591
  296   2HG2  ILE 314          2HG2      ILE 314  10.112  -1.980  -2.222
  297   3HG2  ILE 314          3HG2      ILE 314   8.584  -2.176  -1.365
  298   1HD1  ILE 314          1HD1      ILE 314   7.389  -1.647   0.190
  299   2HD1  ILE 314          2HD1      ILE 314   7.132   0.087  -0.010
  300   3HD1  ILE 314          3HD1      ILE 314   7.167  -0.619   1.605
  301    H    LYS 315           H        LYS 315  11.063   1.505  -2.442
  302    HA   LYS 315           HA       LYS 315  11.825  -0.032  -4.639
  303   1HB   LYS 315          1HB       LYS 315  10.645   2.170  -4.722
  304   2HB   LYS 315          2HB       LYS 315  12.172   2.955  -4.342
  305   1HG   LYS 315          1HG       LYS 315  13.145   2.184  -6.397
  306   2HG   LYS 315          2HG       LYS 315  11.709   1.225  -6.760
  307   1HD   LYS 315          1HD       LYS 315  10.377   3.299  -6.849
  308   2HD   LYS 315          2HD       LYS 315  11.845   4.233  -6.554
  309   1HE   LYS 315          1HE       LYS 315  11.278   4.182  -8.933
  310   2HE   LYS 315          2HE       LYS 315  12.818   3.383  -8.619
  311   1HZ   LYS 315          1HZ       LYS 315  11.699   1.249  -8.730
  312   2HZ   LYS 315          2HZ       LYS 315  11.454   2.117 -10.160
  313   3HZ   LYS 315          3HZ       LYS 315  10.215   2.009  -9.013
  314    H    ASN 316           H        ASN 316  13.768   1.956  -2.464
  315    HA   ASN 316           HA       ASN 316  16.185   1.559  -3.982
  316   1HB   ASN 316          1HB       ASN 316  15.831   3.620  -2.691
  317   2HB   ASN 316          2HB       ASN 316  15.780   2.681  -1.202
  318   1HD2  ASN 316          1HD2      ASN 316  17.781   3.924  -3.745
  319   2HD2  ASN 316          2HD2      ASN 316  19.299   3.625  -2.976
  320    H    ARG 317           H        ARG 317  14.576   0.027  -1.309
  321    HA   ARG 317           HA       ARG 317  16.769  -1.381  -0.231
  322   1HB   ARG 317          1HB       ARG 317  14.679  -1.119   0.993
  323   2HB   ARG 317          2HB       ARG 317  13.820  -2.051  -0.225
  324   1HG   ARG 317          1HG       ARG 317  14.219  -3.416   1.714
  325   2HG   ARG 317          2HG       ARG 317  15.177  -4.021   0.360
  326   1HD   ARG 317          1HD       ARG 317  17.149  -2.872   1.247
  327   2HD   ARG 317          2HD       ARG 317  16.191  -2.270   2.600
  328    HE   ARG 317           HE       ARG 317  15.869  -4.956   2.745
  329   1HH1  ARG 317          1HH1      ARG 317  18.659  -2.876   2.576
  330   2HH1  ARG 317          2HH1      ARG 317  19.677  -3.954   3.470
  331   1HH2  ARG 317          1HH2      ARG 317  17.202  -6.383   3.921
  332   2HH2  ARG 317          2HH2      ARG 317  18.849  -5.948   4.231
  333    H    PHE 318           H        PHE 318  14.242  -2.419  -2.520
  334    HA   PHE 318           HA       PHE 318  15.916  -4.721  -3.235
  335   1HB   PHE 318          1HB       PHE 318  12.975  -4.173  -3.627
  336   2HB   PHE 318          2HB       PHE 318  13.804  -5.546  -4.355
  337    HD1  PHE 318           HD1      PHE 318  14.663  -7.358  -2.967
  338    HD2  PHE 318           HD2      PHE 318  12.469  -4.121  -1.288
  339    HE1  PHE 318           HE1      PHE 318  14.312  -8.667  -0.914
  340    HE2  PHE 318           HE2      PHE 318  12.115  -5.425   0.769
  341    HZ   PHE 318           HZ       PHE 318  13.039  -7.699   0.959
  342    H    GLN 319           H        GLN 319  16.855  -2.367  -4.225
  343    HA   GLN 319           HA       GLN 319  15.876  -1.557  -6.717
  344   1HB   GLN 319          1HB       GLN 319  17.512  -0.236  -5.504
  345   2HB   GLN 319          2HB       GLN 319  18.701  -1.524  -5.642
  346   1HG   GLN 319          1HG       GLN 319  18.770  -1.229  -8.052
  347   2HG   GLN 319          2HG       GLN 319  17.539   0.030  -7.943
  348   1HE2  GLN 319          1HE2      GLN 319  20.854  -0.809  -7.286
  349   2HE2  GLN 319          2HE2      GLN 319  21.423   0.803  -7.038
  350    H    GLY 320           H        GLY 320  18.003  -4.201  -5.808
  351   1HA   GLY 320          1HA       GLY 320  18.774  -4.856  -8.488
  352   2HA   GLY 320          2HA       GLY 320  19.010  -5.856  -7.061
  353    H    GLN 321           H        GLN 321  16.048  -5.594  -6.494
  354    HA   GLN 321           HA       GLN 321  15.112  -7.509  -8.529
  355   1HB   GLN 321          1HB       GLN 321  14.574  -7.494  -5.556
  356   2HB   GLN 321          2HB       GLN 321  13.739  -8.533  -6.703
  357   1HG   GLN 321          1HG       GLN 321  15.909  -9.526  -7.329
  358   2HG   GLN 321          2HG       GLN 321  16.686  -8.538  -6.094
  359   1HE2  GLN 321          1HE2      GLN 321  14.433  -8.805  -4.253
  360   2HE2  GLN 321          2HE2      GLN 321  14.529 -10.404  -3.609
  361    HA   PRO 322           HA       PRO 322  12.173  -3.991  -8.727
  362   1HB   PRO 322          1HB       PRO 322  11.485  -4.382 -11.317
  363   2HB   PRO 322          2HB       PRO 322  12.946  -3.507 -10.841
  364   1HG   PRO 322          1HG       PRO 322  12.647  -6.358 -11.716
  365   2HG   PRO 322          2HG       PRO 322  13.869  -5.164 -12.195
  366   1HD   PRO 322          1HD       PRO 322  14.354  -7.068 -10.338
  367   2HD   PRO 322          2HD       PRO 322  15.092  -5.456 -10.261
  368    H    ASP 323           H        ASP 323  11.893  -7.372  -9.138
  369    HA   ASP 323           HA       ASP 323   9.133  -7.548  -9.760
  370   1HB   ASP 323          1HB       ASP 323  10.938  -9.549  -8.382
  371   2HB   ASP 323          2HB       ASP 323   9.339  -9.900  -9.030
  372    H    ILE 324           H        ILE 324  10.934  -7.313  -6.757
  373    HA   ILE 324           HA       ILE 324   8.812  -7.964  -5.006
  374    HB   ILE 324           HB       ILE 324  11.122  -6.133  -4.370
  375   1HG1  ILE 324          1HG1      ILE 324  12.013  -8.156  -5.404
  376   2HG1  ILE 324          2HG1      ILE 324  12.351  -8.164  -3.678
  377   1HG2  ILE 324          1HG2      ILE 324   9.456  -7.968  -2.654
  378   2HG2  ILE 324          2HG2      ILE 324   9.391  -6.205  -2.676
  379   3HG2  ILE 324          3HG2      ILE 324  10.841  -7.027  -2.100
  380   1HD1  ILE 324          1HD1      ILE 324  11.681 -10.360  -4.465
  381   2HD1  ILE 324          2HD1      ILE 324  10.153  -9.697  -5.046
  382   3HD1  ILE 324          3HD1      ILE 324  10.507  -9.714  -3.318
  383    H    TYR 325           H        TYR 325  10.072  -4.863  -6.185
  384    HA   TYR 325           HA       TYR 325   8.309  -3.205  -4.750
  385   1HB   TYR 325          1HB       TYR 325  10.387  -2.415  -5.829
  386   2HB   TYR 325          2HB       TYR 325   9.658  -2.681  -7.409
  387    HD1  TYR 325           HD1      TYR 325   8.777  -0.905  -4.227
  388    HD2  TYR 325           HD2      TYR 325   8.897  -0.800  -8.479
  389    HE1  TYR 325           HE1      TYR 325   7.886   1.387  -4.190
  390    HE2  TYR 325           HE2      TYR 325   8.006   1.491  -8.453
  391    HH   TYR 325           HH       TYR 325   6.699   2.942  -6.962
  392    H    LYS 326           H        LYS 326   8.174  -4.329  -8.129
  393    HA   LYS 326           HA       LYS 326   5.728  -3.178  -8.808
  394   1HB   LYS 326          1HB       LYS 326   7.231  -4.121 -10.476
  395   2HB   LYS 326          2HB       LYS 326   6.989  -5.734  -9.821
  396   1HG   LYS 326          1HG       LYS 326   5.692  -5.510 -11.814
  397   2HG   LYS 326          2HG       LYS 326   4.591  -5.567 -10.436
  398   1HD   LYS 326          1HD       LYS 326   4.397  -3.126 -10.497
  399   2HD   LYS 326          2HD       LYS 326   5.494  -3.074 -11.878
  400   1HE   LYS 326          1HE       LYS 326   2.786  -4.399 -11.784
  401   2HE   LYS 326          2HE       LYS 326   3.189  -2.901 -12.622
  402   1HZ   LYS 326          1HZ       LYS 326   3.117  -4.804 -14.125
  403   2HZ   LYS 326          2HZ       LYS 326   4.340  -5.569 -13.240
  404   3HZ   LYS 326          3HZ       LYS 326   4.668  -4.129 -14.065
  405    H    ALA 327           H        ALA 327   6.464  -6.204  -7.176
  406    HA   ALA 327           HA       ALA 327   3.900  -7.357  -7.274
  407   1HB   ALA 327          1HB       ALA 327   6.045  -7.688  -5.176
  408   2HB   ALA 327          2HB       ALA 327   5.893  -8.627  -6.662
  409   3HB   ALA 327          3HB       ALA 327   4.658  -8.752  -5.410
  410    H    PHE 328           H        PHE 328   5.471  -5.447  -4.715
  411    HA   PHE 328           HA       PHE 328   3.395  -5.351  -2.891
  412   1HB   PHE 328          1HB       PHE 328   5.692  -4.522  -2.476
  413   2HB   PHE 328          2HB       PHE 328   5.372  -3.146  -3.524
  414    HD1  PHE 328           HD1      PHE 328   5.236  -1.222  -2.299
  415    HD2  PHE 328           HD2      PHE 328   3.447  -4.763  -0.757
  416    HE1  PHE 328           HE1      PHE 328   4.393   0.049  -0.369
  417    HE2  PHE 328           HE2      PHE 328   2.599  -3.498   1.175
  418    HZ   PHE 328           HZ       PHE 328   3.071  -1.089   1.371
  419    H    LEU 329           H        LEU 329   4.081  -3.107  -5.565
  420    HA   LEU 329           HA       LEU 329   1.950  -1.349  -5.162
  421   1HB   LEU 329          1HB       LEU 329   3.184  -2.182  -7.788
  422   2HB   LEU 329          2HB       LEU 329   2.210  -0.749  -7.525
  423    HG   LEU 329           HG       LEU 329   4.896  -1.272  -6.247
  424   1HD1  LEU 329          1HD1      LEU 329   4.093   0.462  -8.576
  425   2HD1  LEU 329          2HD1      LEU 329   5.188  -0.921  -8.599
  426   3HD1  LEU 329          3HD1      LEU 329   5.648   0.556  -7.753
  427   1HD2  LEU 329          1HD2      LEU 329   3.436   0.127  -4.875
  428   2HD2  LEU 329          2HD2      LEU 329   3.150   1.189  -6.254
  429   3HD2  LEU 329          3HD2      LEU 329   4.765   1.065  -5.556
  430    H    GLU 330           H        GLU 330   2.114  -4.361  -7.014
  431    HA   GLU 330           HA       GLU 330  -0.452  -4.231  -8.152
  432   1HB   GLU 330          1HB       GLU 330   1.327  -5.776  -8.906
  433   2HB   GLU 330          2HB       GLU 330   1.141  -6.694  -7.418
  434   1HG   GLU 330          1HG       GLU 330  -0.003  -7.788  -9.246
  435   2HG   GLU 330          2HG       GLU 330  -1.161  -7.232  -8.038
  436    H    ILE 331           H        ILE 331   0.682  -5.376  -5.034
  437    HA   ILE 331           HA       ILE 331  -1.681  -6.710  -4.245
  438    HB   ILE 331           HB       ILE 331   0.438  -5.400  -2.533
  439   1HG1  ILE 331          1HG1      ILE 331   0.076  -8.304  -3.300
  440   2HG1  ILE 331          2HG1      ILE 331   1.229  -7.213  -4.056
  441   1HG2  ILE 331          1HG2      ILE 331  -1.717  -7.376  -1.792
  442   2HG2  ILE 331          2HG2      ILE 331  -1.611  -5.693  -1.271
  443   3HG2  ILE 331          3HG2      ILE 331  -0.400  -6.861  -0.737
  444   1HD1  ILE 331          1HD1      ILE 331   2.308  -8.627  -2.412
  445   2HD1  ILE 331          2HD1      ILE 331   1.213  -8.036  -1.162
  446   3HD1  ILE 331          3HD1      ILE 331   2.369  -6.937  -1.915
  447    H    LEU 332           H        LEU 332  -0.464  -3.455  -3.429
  448    HA   LEU 332           HA       LEU 332  -2.764  -2.647  -2.015
  449   1HB   LEU 332          1HB       LEU 332  -1.021  -0.726  -3.519
  450   2HB   LEU 332          2HB       LEU 332  -1.852  -0.490  -1.994
  451    HG   LEU 332           HG       LEU 332   0.605  -2.176  -2.458
  452   1HD1  LEU 332          1HD1      LEU 332   0.938   0.273  -2.426
  453   2HD1  LEU 332          2HD1      LEU 332   1.724  -0.553  -1.081
  454   3HD1  LEU 332          3HD1      LEU 332   0.215   0.320  -0.818
  455   1HD2  LEU 332          1HD2      LEU 332  -0.956  -1.712   0.081
  456   2HD2  LEU 332          2HD2      LEU 332   0.589  -2.555  -0.042
  457   3HD2  LEU 332          3HD2      LEU 332  -0.849  -3.231  -0.808
  458    H    HIS 333           H        HIS 333  -1.962  -2.617  -5.412
  459    HA   HIS 333           HA       HIS 333  -3.954  -0.805  -6.269
  460   1HB   HIS 333          1HB       HIS 333  -1.859  -1.984  -7.489
  461   2HB   HIS 333          2HB       HIS 333  -3.163  -2.994  -8.104
  462    HD1  HIS 333           HD1      HIS 333  -4.758  -1.950  -9.811
  463    HD2  HIS 333           HD2      HIS 333  -1.933   0.712  -8.327
  464    HE1  HIS 333           HE1      HIS 333  -4.915   0.086 -11.279
  465    HE2  HIS 333           HE2      HIS 333  -3.279   1.725 -10.290
  466    H    THR 334           H        THR 334  -3.880  -4.372  -6.343
  467    HA   THR 334           HA       THR 334  -6.495  -4.724  -7.284
  468    HB   THR 334           HB       THR 334  -4.929  -6.608  -5.509
  469    HG1  THR 334           HG1      THR 334  -4.930  -7.324  -8.076
  470   1HG2  THR 334          1HG2      THR 334  -7.292  -7.199  -5.660
  471   2HG2  THR 334          2HG2      THR 334  -6.308  -8.353  -6.561
  472   3HG2  THR 334          3HG2      THR 334  -7.216  -7.108  -7.420
  473    H    TYR 335           H        TYR 335  -5.227  -4.425  -4.001
  474    HA   TYR 335           HA       TYR 335  -7.570  -5.114  -2.616
  475   1HB   TYR 335          1HB       TYR 335  -5.471  -5.017  -1.445
  476   2HB   TYR 335          2HB       TYR 335  -5.264  -3.317  -1.849
  477    HD1  TYR 335           HD1      TYR 335  -6.186  -1.624  -0.489
  478    HD2  TYR 335           HD2      TYR 335  -7.289  -5.679   0.165
  479    HE1  TYR 335           HE1      TYR 335  -7.283  -0.977   1.612
  480    HE2  TYR 335           HE2      TYR 335  -8.393  -5.045   2.270
  481    HH   TYR 335           HH       TYR 335  -8.344  -3.272   3.915
  482    H    GLN 336           H        GLN 336  -6.280  -1.853  -3.278
  483    HA   GLN 336           HA       GLN 336  -8.494  -0.430  -2.347
  484   1HB   GLN 336          1HB       GLN 336  -6.446   0.307  -4.440
  485   2HB   GLN 336          2HB       GLN 336  -7.613   1.437  -3.767
  486   1HG   GLN 336          1HG       GLN 336  -5.582  -0.071  -2.138
  487   2HG   GLN 336          2HG       GLN 336  -5.358   1.569  -2.747
  488   1HE2  GLN 336          1HE2      GLN 336  -6.538   3.250  -1.855
  489   2HE2  GLN 336          2HE2      GLN 336  -7.375   3.096  -0.351
  490    H    LYS 337           H        LYS 337  -7.856  -1.839  -5.510
  491    HA   LYS 337           HA       LYS 337  -9.955  -0.539  -6.886
  492   1HB   LYS 337          1HB       LYS 337  -8.070  -1.612  -8.029
  493   2HB   LYS 337          2HB       LYS 337  -8.645  -3.187  -7.505
  494   1HG   LYS 337          1HG       LYS 337 -10.711  -2.843  -8.786
  495   2HG   LYS 337          2HG       LYS 337 -10.090  -1.285  -9.336
  496   1HD   LYS 337          1HD       LYS 337  -9.688  -2.887 -11.064
  497   2HD   LYS 337          2HD       LYS 337  -8.139  -2.495 -10.315
  498   1HE   LYS 337          1HE       LYS 337  -8.329  -4.889 -10.701
  499   2HE   LYS 337          2HE       LYS 337  -8.269  -4.536  -8.974
  500   1HZ   LYS 337          1HZ       LYS 337 -10.755  -5.064 -10.512
  501   2HZ   LYS 337          2HZ       LYS 337 -10.644  -4.816  -8.842
  502   3HZ   LYS 337          3HZ       LYS 337  -9.959  -6.196  -9.539
  503    H    GLU 338           H        GLU 338  -9.759  -3.731  -5.332
  504    HA   GLU 338           HA       GLU 338 -12.333  -4.603  -6.011
  505   1HB   GLU 338          1HB       GLU 338 -10.526  -5.306  -3.703
  506   2HB   GLU 338          2HB       GLU 338 -12.073  -6.098  -3.971
  507   1HG   GLU 338          1HG       GLU 338  -9.788  -6.048  -5.931
  508   2HG   GLU 338          2HG       GLU 338 -10.177  -7.385  -4.850
  509    H    GLN 339           H        GLN 339 -11.168  -2.916  -3.105
  510    HA   GLN 339           HA       GLN 339 -13.623  -2.845  -1.748
  511   1HB   GLN 339          1HB       GLN 339 -11.315  -0.893  -1.638
  512   2HB   GLN 339          2HB       GLN 339 -12.641  -0.947  -0.484
  513   1HG   GLN 339          1HG       GLN 339 -10.617  -3.118  -0.983
  514   2HG   GLN 339          2HG       GLN 339 -10.688  -2.046   0.416
  515   1HE2  GLN 339          1HE2      GLN 339 -12.309  -2.341   1.954
  516   2HE2  GLN 339          2HE2      GLN 339 -13.210  -3.811   2.062
  517    H    ARG 340           H        ARG 340 -12.188  -0.626  -4.096
  518    HA   ARG 340           HA       ARG 340 -14.106   1.413  -3.922
  519   1HB   ARG 340          1HB       ARG 340 -11.973   1.733  -5.057
  520   2HB   ARG 340          2HB       ARG 340 -12.419   0.548  -6.277
  521   1HG   ARG 340          1HG       ARG 340 -14.203   1.991  -7.063
  522   2HG   ARG 340          2HG       ARG 340 -13.829   3.167  -5.802
  523   1HD   ARG 340          1HD       ARG 340 -11.634   3.541  -6.762
  524   2HD   ARG 340          2HD       ARG 340 -11.926   2.294  -7.974
  525    HE   ARG 340           HE       ARG 340 -13.952   4.218  -8.164
  526   1HH1  ARG 340          1HH1      ARG 340 -10.525   3.906  -8.718
  527   2HH1  ARG 340          2HH1      ARG 340 -10.489   5.100  -9.972
  528   1HH2  ARG 340          1HH2      ARG 340 -13.913   5.792  -9.812
  529   2HH2  ARG 340          2HH2      ARG 340 -12.415   6.171 -10.594
  530    H    ASN 341           H        ASN 341 -13.909  -1.381  -6.115
  531    HA   ASN 341           HA       ASN 341 -16.297  -0.833  -7.510
  532   1HB   ASN 341          1HB       ASN 341 -14.938  -3.500  -7.059
  533   2HB   ASN 341          2HB       ASN 341 -16.153  -3.160  -8.287
  534   1HD2  ASN 341          1HD2      ASN 341 -15.059  -0.490  -8.813
  535   2HD2  ASN 341          2HD2      ASN 341 -13.623  -0.747  -9.738
  536    H    ALA 342           H        ALA 342 -15.641  -2.377  -4.467
  537    HA   ALA 342           HA       ALA 342 -18.086  -3.771  -4.171
  538   1HB   ALA 342          1HB       ALA 342 -16.101  -4.275  -2.833
  539   2HB   ALA 342          2HB       ALA 342 -17.497  -3.927  -1.814
  540   3HB   ALA 342          3HB       ALA 342 -16.241  -2.708  -2.035
  541    H    LYS 343           H        LYS 343 -17.001  -0.625  -2.898
  542    HA   LYS 343           HA       LYS 343 -19.456   0.039  -1.678
  543   1HB   LYS 343          1HB       LYS 343 -17.158   1.753  -2.619
  544   2HB   LYS 343          2HB       LYS 343 -18.534   2.388  -1.728
  545   1HG   LYS 343          1HG       LYS 343 -16.728   0.207  -0.708
  546   2HG   LYS 343          2HG       LYS 343 -16.527   1.920  -0.336
  547   1HD   LYS 343          1HD       LYS 343 -19.000   0.300   0.272
  548   2HD   LYS 343          2HD       LYS 343 -17.726   0.670   1.435
  549   1HE   LYS 343          1HE       LYS 343 -18.156   3.063   1.137
  550   2HE   LYS 343          2HE       LYS 343 -19.432   2.690  -0.019
  551   1HZ   LYS 343          1HZ       LYS 343 -20.347   3.145   2.157
  552   2HZ   LYS 343          2HZ       LYS 343 -19.405   1.922   2.849
  553   3HZ   LYS 343          3HZ       LYS 343 -20.623   1.528   1.743
  554    H    GLU 344           H        GLU 344 -18.136   0.717  -4.884
  555    HA   GLU 344           HA       GLU 344 -20.214   2.458  -5.708
  556   1HB   GLU 344          1HB       GLU 344 -18.289   0.775  -7.317
  557   2HB   GLU 344          2HB       GLU 344 -19.362   1.984  -8.009
  558   1HG   GLU 344          1HG       GLU 344 -17.192   2.510  -5.992
  559   2HG   GLU 344          2HG       GLU 344 -17.097   2.835  -7.721
  560    H    ALA 345           H        ALA 345 -19.826  -1.017  -5.731
  561    HA   ALA 345           HA       ALA 345 -21.894  -1.645  -7.542
  562   1HB   ALA 345          1HB       ALA 345 -21.806  -3.890  -6.585
  563   2HB   ALA 345          2HB       ALA 345 -20.825  -3.285  -5.249
  564   3HB   ALA 345          3HB       ALA 345 -20.187  -3.260  -6.894
  565    H    GLY 346           H        GLY 346 -21.867  -1.236  -4.023
  566   1HA   GLY 346          1HA       GLY 346 -23.569  -0.874  -2.529
  567   2HA   GLY 346          2HA       GLY 346 -24.523  -0.323  -3.898
  568    H    GLY 347           H        GLY 347 -23.272  -3.400  -2.585
  569   1HA   GLY 347          1HA       GLY 347 -25.444  -4.700  -1.797
  570   2HA   GLY 347          2HA       GLY 347 -25.673  -4.758  -3.538
  571    H    ASN 348           H        ASN 348 -25.524  -7.013  -3.588
  572    HA   ASN 348           HA       ASN 348 -23.415  -8.500  -2.465
  573   1HB   ASN 348          1HB       ASN 348 -25.151  -9.165  -4.853
  574   2HB   ASN 348          2HB       ASN 348 -24.145 -10.311  -3.973
  575   1HD2  ASN 348          1HD2      ASN 348 -27.015  -8.362  -3.891
  576   2HD2  ASN 348          2HD2      ASN 348 -27.737  -9.122  -2.519
  577    H    TYR 349           H        TYR 349 -21.366  -8.725  -3.043
  578    HA   TYR 349           HA       TYR 349 -20.522  -8.667  -5.786
  579   1HB   TYR 349          1HB       TYR 349 -20.654  -6.257  -5.332
  580   2HB   TYR 349          2HB       TYR 349 -19.605  -6.458  -3.933
  581    HD1  TYR 349           HD1      TYR 349 -19.714  -6.775  -7.628
  582    HD2  TYR 349           HD2      TYR 349 -17.262  -6.422  -4.171
  583    HE1  TYR 349           HE1      TYR 349 -17.749  -6.437  -9.065
  584    HE2  TYR 349           HE2      TYR 349 -15.288  -6.081  -5.598
  585    HH   TYR 349           HH       TYR 349 -14.580  -6.610  -7.920
  586    H    THR 350           H        THR 350 -19.858  -8.914  -2.392
  587    HA   THR 350           HA       THR 350 -18.058  -9.709  -1.203
  588    HB   THR 350           HB       THR 350 -19.306 -11.702  -1.454
  589    HG1  THR 350           HG1      THR 350 -17.327 -13.198  -2.005
  590   1HG2  THR 350          1HG2      THR 350 -19.721 -11.628  -3.854
  591   2HG2  THR 350          2HG2      THR 350 -19.082 -13.203  -3.387
  592   3HG2  THR 350          3HG2      THR 350 -18.034 -12.025  -4.173
  593    HA   PRO 351           HA       PRO 351 -14.635  -8.387  -3.963
  594   1HB   PRO 351          1HB       PRO 351 -13.066  -7.641  -1.819
  595   2HB   PRO 351          2HB       PRO 351 -14.201  -6.574  -2.650
  596   1HG   PRO 351          1HG       PRO 351 -14.559  -8.113  -0.112
  597   2HG   PRO 351          2HG       PRO 351 -15.072  -6.461  -0.504
  598   1HD   PRO 351          1HD       PRO 351 -16.810  -8.502  -0.518
  599   2HD   PRO 351          2HD       PRO 351 -16.919  -7.189  -1.709
  600    H    ALA 352           H        ALA 352 -12.929  -9.590  -4.590
  601    HA   ALA 352           HA       ALA 352 -12.414 -12.064  -3.172
  602   1HB   ALA 352          1HB       ALA 352 -12.665 -11.941  -5.659
  603   2HB   ALA 352          2HB       ALA 352 -11.202 -12.754  -5.102
  604   3HB   ALA 352          3HB       ALA 352 -11.115 -11.101  -5.712
  605    H    LEU 353           H        LEU 353 -11.365  -9.096  -2.601
  606    HA   LEU 353           HA       LEU 353  -8.752 -10.046  -1.663
  607   1HB   LEU 353          1HB       LEU 353  -8.878  -8.502  -3.862
  608   2HB   LEU 353          2HB       LEU 353  -8.885  -7.249  -2.637
  609    HG   LEU 353           HG       LEU 353  -6.628  -7.638  -3.431
  610   1HD1  LEU 353          1HD1      LEU 353  -6.991  -8.722  -0.642
  611   2HD1  LEU 353          2HD1      LEU 353  -6.944  -7.015  -1.083
  612   3HD1  LEU 353          3HD1      LEU 353  -5.515  -8.023  -1.310
  613   1HD2  LEU 353          1HD2      LEU 353  -6.879  -9.947  -4.163
  614   2HD2  LEU 353          2HD2      LEU 353  -7.016 -10.476  -2.486
  615   3HD2  LEU 353          3HD2      LEU 353  -5.504  -9.781  -3.070
  616    H    THR 354           H        THR 354  -8.507  -9.650   0.440
  617    HA   THR 354           HA       THR 354  -9.975  -7.387   1.628
  618    HB   THR 354           HB       THR 354 -10.371  -8.710   3.650
  619    HG1  THR 354           HG1      THR 354  -8.488 -10.224   2.842
  620   1HG2  THR 354          1HG2      THR 354 -12.058 -10.244   2.757
  621   2HG2  THR 354          2HG2      THR 354 -11.341 -10.105   1.152
  622   3HG2  THR 354          3HG2      THR 354 -12.092  -8.699   1.907
  623    H    GLU 355           H        GLU 355  -9.109  -7.262   4.091
  624    HA   GLU 355           HA       GLU 355  -6.496  -6.231   3.897
  625   1HB   GLU 355          1HB       GLU 355  -8.046  -6.981   6.384
  626   2HB   GLU 355          2HB       GLU 355  -6.633  -5.937   6.329
  627   1HG   GLU 355          1HG       GLU 355  -7.848  -4.304   5.025
  628   2HG   GLU 355          2HG       GLU 355  -9.256  -5.365   4.970
  629    H    GLN 356           H        GLN 356  -7.734  -9.204   5.399
  630    HA   GLN 356           HA       GLN 356  -5.338 -10.165   6.442
  631   1HB   GLN 356          1HB       GLN 356  -7.541 -11.129   6.960
  632   2HB   GLN 356          2HB       GLN 356  -7.650 -11.759   5.322
  633   1HG   GLN 356          1HG       GLN 356  -7.013 -13.498   6.886
  634   2HG   GLN 356          2HG       GLN 356  -5.721 -13.187   5.728
  635   1HE2  GLN 356          1HE2      GLN 356  -6.740 -12.911   9.035
  636   2HE2  GLN 356          2HE2      GLN 356  -5.189 -12.531   9.695
  637    H    GLU 357           H        GLU 357  -6.762 -10.651   3.231
  638    HA   GLU 357           HA       GLU 357  -4.840 -12.431   2.241
  639   1HB   GLU 357          1HB       GLU 357  -6.628 -10.437   0.856
  640   2HB   GLU 357          2HB       GLU 357  -5.570 -11.531  -0.025
  641   1HG   GLU 357          1HG       GLU 357  -6.709 -13.442   1.017
  642   2HG   GLU 357          2HG       GLU 357  -7.794 -12.324   1.843
  643    H    VAL 358           H        VAL 358  -4.900  -8.907   2.363
  644    HA   VAL 358           HA       VAL 358  -2.633  -8.482   0.727
  645    HB   VAL 358           HB       VAL 358  -3.943  -6.773   2.837
  646   1HG1  VAL 358          1HG1      VAL 358  -2.530  -4.911   1.987
  647   2HG1  VAL 358          2HG1      VAL 358  -1.574  -6.096   1.097
  648   3HG1  VAL 358          3HG1      VAL 358  -1.618  -6.145   2.860
  649   1HG2  VAL 358          1HG2      VAL 358  -3.784  -6.549  -0.164
  650   2HG2  VAL 358          2HG2      VAL 358  -4.640  -5.446   0.913
  651   3HG2  VAL 358          3HG2      VAL 358  -5.177  -7.118   0.756
  652    H    TYR 359           H        TYR 359  -2.939  -8.327   4.286
  653    HA   TYR 359           HA       TYR 359  -0.263  -8.021   4.893
  654   1HB   TYR 359          1HB       TYR 359  -2.156  -7.901   6.523
  655   2HB   TYR 359          2HB       TYR 359  -2.238  -9.659   6.493
  656    HD1  TYR 359           HD1      TYR 359  -0.719 -10.981   7.756
  657    HD2  TYR 359           HD2      TYR 359  -0.123  -6.780   7.442
  658    HE1  TYR 359           HE1      TYR 359   0.980 -11.096   9.529
  659    HE2  TYR 359           HE2      TYR 359   1.578  -6.883   9.214
  660    HH   TYR 359           HH       TYR 359   2.205  -8.326  11.081
  661    H    ALA 360           H        ALA 360  -2.031 -10.921   4.032
  662    HA   ALA 360           HA       ALA 360  -0.054 -12.804   4.766
  663   1HB   ALA 360          1HB       ALA 360  -2.205 -13.035   2.665
  664   2HB   ALA 360          2HB       ALA 360  -2.385 -13.424   4.375
  665   3HB   ALA 360          3HB       ALA 360  -1.292 -14.371   3.366
  666    H    GLN 361           H        GLN 361  -0.891 -11.434   1.577
  667    HA   GLN 361           HA       GLN 361   1.197 -12.672   0.162
  668   1HB   GLN 361          1HB       GLN 361  -0.295 -10.109  -0.420
  669   2HB   GLN 361          2HB       GLN 361   0.775 -10.916  -1.558
  670   1HG   GLN 361          1HG       GLN 361  -0.663 -12.871  -1.557
  671   2HG   GLN 361          2HG       GLN 361  -1.721 -12.106  -0.373
  672   1HE2  GLN 361          1HE2      GLN 361  -0.674 -12.149  -3.682
  673   2HE2  GLN 361          2HE2      GLN 361  -1.937 -11.153  -4.310
  674    H    VAL 362           H        VAL 362   0.967  -9.365   1.461
  675    HA   VAL 362           HA       VAL 362   3.484  -8.468   0.712
  676    HB   VAL 362           HB       VAL 362   2.047  -7.718   3.264
  677   1HG1  VAL 362          1HG1      VAL 362   3.248  -5.597   3.028
  678   2HG1  VAL 362          2HG1      VAL 362   4.068  -6.224   1.597
  679   3HG1  VAL 362          3HG1      VAL 362   4.359  -6.959   3.175
  680   1HG2  VAL 362          1HG2      VAL 362   0.982  -5.945   2.004
  681   2HG2  VAL 362          2HG2      VAL 362   0.590  -7.501   1.276
  682   3HG2  VAL 362          3HG2      VAL 362   1.802  -6.461   0.531
  683    H    ALA 363           H        ALA 363   2.488 -10.351   3.527
  684    HA   ALA 363           HA       ALA 363   4.983 -10.259   4.872
  685   1HB   ALA 363          1HB       ALA 363   2.797 -12.330   5.069
  686   2HB   ALA 363          2HB       ALA 363   2.896 -10.843   6.011
  687   3HB   ALA 363          3HB       ALA 363   4.116 -12.099   6.217
  688    H    ARG 364           H        ARG 364   3.576 -12.456   2.503
  689    HA   ARG 364           HA       ARG 364   5.524 -14.471   2.612
  690   1HB   ARG 364          1HB       ARG 364   3.415 -14.828   1.472
  691   2HB   ARG 364          2HB       ARG 364   3.782 -13.554   0.318
  692   1HG   ARG 364          1HG       ARG 364   5.697 -14.898  -0.494
  693   2HG   ARG 364          2HG       ARG 364   5.201 -16.196   0.595
  694   1HD   ARG 364          1HD       ARG 364   4.402 -16.520  -1.719
  695   2HD   ARG 364          2HD       ARG 364   3.089 -16.409  -0.548
  696    HE   ARG 364           HE       ARG 364   3.686 -13.878  -1.703
  697   1HH1  ARG 364          1HH1      ARG 364   2.048 -16.896  -2.303
  698   2HH1  ARG 364          2HH1      ARG 364   0.916 -16.203  -3.416
  699   1HH2  ARG 364          1HH2      ARG 364   2.205 -12.965  -3.169
  700   2HH2  ARG 364          2HH2      ARG 364   1.010 -13.973  -3.915
  701    H    LEU 365           H        LEU 365   5.347 -11.471   0.759
  702    HA   LEU 365           HA       LEU 365   7.663 -11.943  -0.806
  703   1HB   LEU 365          1HB       LEU 365   6.333  -9.346  -0.031
  704   2HB   LEU 365          2HB       LEU 365   7.579  -9.506  -1.253
  705    HG   LEU 365           HG       LEU 365   4.878 -10.848  -1.394
  706   1HD1  LEU 365          1HD1      LEU 365   4.629  -8.436  -1.520
  707   2HD1  LEU 365          2HD1      LEU 365   4.354  -9.167  -3.100
  708   3HD1  LEU 365          3HD1      LEU 365   5.880  -8.353  -2.759
  709   1HD2  LEU 365          1HD2      LEU 365   7.072 -10.525  -3.440
  710   2HD2  LEU 365          2HD2      LEU 365   5.490 -11.249  -3.730
  711   3HD2  LEU 365          3HD2      LEU 365   6.625 -12.022  -2.623
  712    H    PHE 366           H        PHE 366   7.113 -10.246   2.252
  713    HA   PHE 366           HA       PHE 366  10.006  -9.846   2.531
  714   1HB   PHE 366          1HB       PHE 366   7.778  -8.719   4.238
  715   2HB   PHE 366          2HB       PHE 366   9.478  -8.265   4.293
  716    HD1  PHE 366           HD1      PHE 366   6.455  -7.089   3.341
  717    HD2  PHE 366           HD2      PHE 366  10.329  -7.725   1.696
  718    HE1  PHE 366           HE1      PHE 366   6.030  -5.335   1.670
  719    HE2  PHE 366           HE2      PHE 366   9.910  -5.970   0.022
  720    HZ   PHE 366           HZ       PHE 366   7.758  -4.772   0.009
  721    H    LYS 367           H        LYS 367  10.782 -11.791   3.207
  722    HA   LYS 367           HA       LYS 367   9.496 -13.146   5.447
  723   1HB   LYS 367          1HB       LYS 367  10.245 -14.443   3.468
  724   2HB   LYS 367          2HB       LYS 367  11.903 -13.972   3.814
  725   1HG   LYS 367          1HG       LYS 367  11.756 -15.125   5.983
  726   2HG   LYS 367          2HG       LYS 367  10.118 -15.641   5.575
  727   1HD   LYS 367          1HD       LYS 367  12.592 -16.314   3.981
  728   2HD   LYS 367          2HD       LYS 367  11.823 -17.386   5.153
  729   1HE   LYS 367          1HE       LYS 367   9.765 -17.354   3.820
  730   2HE   LYS 367          2HE       LYS 367  10.547 -16.298   2.645
  731   1HZ   LYS 367          1HZ       LYS 367  10.586 -18.594   1.915
  732   2HZ   LYS 367          2HZ       LYS 367  11.394 -19.062   3.325
  733   3HZ   LYS 367          3HZ       LYS 367  12.161 -18.049   2.209
  734    H    ASN 368           H        ASN 368  12.067 -10.987   4.836
  735    HA   ASN 368           HA       ASN 368  13.100 -11.440   7.557
  736   1HB   ASN 368          1HB       ASN 368  15.325 -10.729   6.761
  737   2HB   ASN 368          2HB       ASN 368  14.766 -12.181   5.936
  738   1HD2  ASN 368          1HD2      ASN 368  14.213 -12.080   3.771
  739   2HD2  ASN 368          2HD2      ASN 368  14.653 -10.746   2.766
  740    H    GLN 369           H        GLN 369  11.941  -9.217   5.196
  741    HA   GLN 369           HA       GLN 369  12.844  -6.872   6.632
  742   1HB   GLN 369          1HB       GLN 369  11.075  -7.215   4.209
  743   2HB   GLN 369          2HB       GLN 369  11.483  -5.651   4.902
  744   1HG   GLN 369          1HG       GLN 369  13.476  -7.640   3.839
  745   2HG   GLN 369          2HG       GLN 369  12.869  -6.238   2.959
  746   1HE2  GLN 369          1HE2      GLN 369  14.862  -7.332   5.593
  747   2HE2  GLN 369          2HE2      GLN 369  15.705  -5.845   5.839
  748    H    GLU 370           H        GLU 370  11.819  -7.382   8.658
  749    HA   GLU 370           HA       GLU 370   8.959  -7.489   8.849
  750   1HB   GLU 370          1HB       GLU 370   9.360  -7.417  11.290
  751   2HB   GLU 370          2HB       GLU 370  10.310  -8.660  10.487
  752   1HG   GLU 370          1HG       GLU 370  12.267  -7.196  10.543
  753   2HG   GLU 370          2HG       GLU 370  11.313  -5.959  11.359
  754    H    ASP 371           H        ASP 371  11.400  -5.015   9.019
  755    HA   ASP 371           HA       ASP 371   9.993  -3.013  10.374
  756   1HB   ASP 371          1HB       ASP 371  12.388  -2.855   9.911
  757   2HB   ASP 371          2HB       ASP 371  12.063  -2.740   8.184
  758    H    LEU 372           H        LEU 372  10.172  -3.716   6.896
  759    HA   LEU 372           HA       LEU 372   8.640  -1.603   5.954
  760   1HB   LEU 372          1HB       LEU 372   9.155  -4.378   4.959
  761   2HB   LEU 372          2HB       LEU 372   7.994  -3.362   4.125
  762    HG   LEU 372           HG       LEU 372   9.722  -1.699   3.678
  763   1HD1  LEU 372          1HD1      LEU 372  12.077  -2.184   4.200
  764   2HD1  LEU 372          2HD1      LEU 372  11.564  -3.590   5.135
  765   3HD1  LEU 372          3HD1      LEU 372  11.095  -1.968   5.650
  766   1HD2  LEU 372          1HD2      LEU 372  11.095  -3.015   2.134
  767   2HD2  LEU 372          2HD2      LEU 372   9.396  -3.486   2.062
  768   3HD2  LEU 372          3HD2      LEU 372  10.557  -4.498   2.924
  769    H    LEU 373           H        LEU 373   7.521  -4.891   6.781
  770    HA   LEU 373           HA       LEU 373   4.806  -4.477   6.332
  771   1HB   LEU 373          1HB       LEU 373   6.438  -6.409   7.829
  772   2HB   LEU 373          2HB       LEU 373   4.799  -6.231   8.427
  773    HG   LEU 373           HG       LEU 373   5.536  -6.933   5.583
  774   1HD1  LEU 373          1HD1      LEU 373   4.644  -8.610   7.915
  775   2HD1  LEU 373          2HD1      LEU 373   6.101  -8.788   6.936
  776   3HD1  LEU 373          3HD1      LEU 373   4.521  -9.145   6.240
  777   1HD2  LEU 373          1HD2      LEU 373   3.423  -5.730   5.735
  778   2HD2  LEU 373          2HD2      LEU 373   2.865  -6.841   6.986
  779   3HD2  LEU 373          3HD2      LEU 373   3.146  -7.428   5.347
  780    H    SER 374           H        SER 374   6.758  -3.829   9.206
  781    HA   SER 374           HA       SER 374   4.724  -3.246  11.014
  782   1HB   SER 374          1HB       SER 374   7.071  -3.456  11.689
  783   2HB   SER 374          2HB       SER 374   7.468  -1.979  10.812
  784    HG   SER 374           HG       SER 374   6.975  -1.930  13.220
  785    H    GLU 375           H        GLU 375   6.532  -0.972   8.942
  786    HA   GLU 375           HA       GLU 375   5.036   1.304   9.613
  787   1HB   GLU 375          1HB       GLU 375   6.812   0.571   7.322
  788   2HB   GLU 375          2HB       GLU 375   5.862   2.049   7.235
  789   1HG   GLU 375          1HG       GLU 375   8.113   2.465   8.065
  790   2HG   GLU 375          2HG       GLU 375   6.892   2.865   9.271
  791    H    PHE 376           H        PHE 376   4.479  -1.252   7.300
  792    HA   PHE 376           HA       PHE 376   2.340   0.102   5.943
  793   1HB   PHE 376          1HB       PHE 376   3.667  -1.587   4.778
  794   2HB   PHE 376          2HB       PHE 376   3.159  -2.811   5.937
  795    HD1  PHE 376           HD1      PHE 376   1.840  -0.454   3.388
  796    HD2  PHE 376           HD2      PHE 376   1.257  -4.078   5.540
  797    HE1  PHE 376           HE1      PHE 376  -0.104  -0.976   1.973
  798    HE2  PHE 376           HE2      PHE 376  -0.688  -4.609   4.128
  799    HZ   PHE 376           HZ       PHE 376  -1.370  -3.057   2.342
  800    H    GLY 377           H        GLY 377   2.646  -1.696   8.837
  801   1HA   GLY 377          1HA       GLY 377  -0.127  -2.544   8.909
  802   2HA   GLY 377          2HA       GLY 377   1.076  -2.805  10.159
  803    H    GLN 378           H        GLN 378   1.870  -0.079  10.492
  804    HA   GLN 378           HA       GLN 378   0.068   0.759  12.431
  805   1HB   GLN 378          1HB       GLN 378   1.237   2.930  12.369
  806   2HB   GLN 378          2HB       GLN 378   2.351   1.568  12.386
  807   1HG   GLN 378          1HG       GLN 378   2.669   1.803   9.977
  808   2HG   GLN 378          2HG       GLN 378   1.568   3.179   9.969
  809   1HE2  GLN 378          1HE2      GLN 378   4.371   3.031   9.194
  810   2HE2  GLN 378          2HE2      GLN 378   5.203   4.183  10.175
  811    H    PHE 379           H        PHE 379   0.093   1.406   8.996
  812    HA   PHE 379           HA       PHE 379  -1.832   3.525   9.091
  813   1HB   PHE 379          1HB       PHE 379  -0.782   1.797   6.852
  814   2HB   PHE 379          2HB       PHE 379  -2.024   3.018   6.597
  815    HD1  PHE 379           HD1      PHE 379   1.405   2.384   6.510
  816    HD2  PHE 379           HD2      PHE 379  -1.405   5.406   7.548
  817    HE1  PHE 379           HE1      PHE 379   3.151   4.096   6.236
  818    HE2  PHE 379           HE2      PHE 379   0.335   7.124   7.275
  819    HZ   PHE 379           HZ       PHE 379   2.617   6.470   6.618
  820    H    LEU 380           H        LEU 380  -1.944   0.045   8.597
  821    HA   LEU 380           HA       LEU 380  -4.606  -0.195   7.773
  822   1HB   LEU 380          1HB       LEU 380  -2.922  -2.117   9.382
  823   2HB   LEU 380          2HB       LEU 380  -4.437  -2.525   8.601
  824    HG   LEU 380           HG       LEU 380  -1.959  -1.605   7.146
  825   1HD1  LEU 380          1HD1      LEU 380  -1.598  -3.773   8.185
  826   2HD1  LEU 380          2HD1      LEU 380  -1.747  -3.935   6.435
  827   3HD1  LEU 380          3HD1      LEU 380  -3.099  -4.375   7.479
  828   1HD2  LEU 380          1HD2      LEU 380  -3.146  -2.361   5.149
  829   2HD2  LEU 380          2HD2      LEU 380  -4.035  -1.082   5.974
  830   3HD2  LEU 380          3HD2      LEU 380  -4.555  -2.760   6.133
  831    HA   PRO 381           HA       PRO 381  -7.089   0.646  11.323
  832   1HB   PRO 381          1HB       PRO 381  -8.666  -1.786  10.749
  833   2HB   PRO 381          2HB       PRO 381  -9.180  -0.097  10.792
  834   1HG   PRO 381          1HG       PRO 381  -8.949  -1.423   8.477
  835   2HG   PRO 381          2HG       PRO 381  -8.527   0.294   8.606
  836   1HD   PRO 381          1HD       PRO 381  -6.732  -2.101   8.538
  837   2HD   PRO 381          2HD       PRO 381  -6.532  -0.519   7.755
  838    H    ASP 382           H        ASP 382  -8.438  -0.952  13.021
  839    HA   ASP 382           HA       ASP 382  -6.281  -2.293  14.446
  840   1HB   ASP 382          1HB       ASP 382  -9.096  -1.673  15.364
  841   2HB   ASP 382          2HB       ASP 382  -7.770  -2.240  16.375
  842    H    ALA 383           H        ALA 383  -6.033  -4.262  13.466
  843    HA   ALA 383           HA       ALA 383  -8.310  -5.963  12.943
  844   1HB   ALA 383          1HB       ALA 383  -6.399  -5.951  11.417
  845   2HB   ALA 383          2HB       ALA 383  -6.671  -7.556  12.096
  846   3HB   ALA 383          3HB       ALA 383  -5.359  -6.548  12.711
  Start of MODEL    4
    1   1H    ARG   6          1H        ARG   6 -10.349   7.283   2.703
    2   2H    ARG   6          2H        ARG   6  -9.266   8.429   2.091
    3   3H    ARG   6          3H        ARG   6  -9.393   8.195   3.762
    4    HA   ARG   6           HA       ARG   6  -8.557   5.943   3.529
    5   1HB   ARG   6          1HB       ARG   6  -8.241   6.747   0.640
    6   2HB   ARG   6          2HB       ARG   6  -7.545   5.299   1.358
    7   1HG   ARG   6          1HG       ARG   6 -10.491   5.902   1.282
    8   2HG   ARG   6          2HG       ARG   6  -9.640   4.910   0.105
    9   1HD   ARG   6          1HD       ARG   6 -10.594   3.399   1.640
   10   2HD   ARG   6          2HD       ARG   6  -8.880   3.478   2.042
   11    HE   ARG   6           HE       ARG   6 -10.295   5.352   3.594
   12   1HH1  ARG   6          1HH1      ARG   6  -9.857   1.911   3.258
   13   2HH1  ARG   6          2HH1      ARG   6 -10.172   1.578   4.927
   14   1HH2  ARG   6          1HH2      ARG   6 -10.706   4.921   5.796
   15   2HH2  ARG   6          2HH2      ARG   6 -10.658   3.287   6.368
   16    H    MET   7           H        MET   7  -6.528   5.820   4.312
   17    HA   MET   7           HA       MET   7  -4.516   7.739   3.423
   18   1HB   MET   7          1HB       MET   7  -5.673   8.730   5.384
   19   2HB   MET   7          2HB       MET   7  -5.238   7.312   6.330
   20   1HG   MET   7          1HG       MET   7  -2.859   7.839   5.933
   21   2HG   MET   7          2HG       MET   7  -3.360   9.317   5.116
   22   1HE   MET   7          1HE       MET   7  -4.045   8.450   9.598
   23   2HE   MET   7          2HE       MET   7  -3.152   7.382   8.514
   24   3HE   MET   7          3HE       MET   7  -4.892   7.587   8.314
   25    H    ASN   8           H        ASN   8  -5.385   4.638   4.136
   26    HA   ASN   8           HA       ASN   8  -2.815   3.776   5.183
   27   1HB   ASN   8          1HB       ASN   8  -5.199   2.096   4.392
   28   2HB   ASN   8          2HB       ASN   8  -3.817   1.581   5.354
   29   1HD2  ASN   8          1HD2      ASN   8  -3.686   4.088   6.827
   30   2HD2  ASN   8          2HD2      ASN   8  -5.001   4.056   7.946
   31    H    ILE   9           H        ILE   9  -4.817   2.572   2.478
   32    HA   ILE   9           HA       ILE   9  -2.393   1.730   1.104
   33    HB   ILE   9           HB       ILE   9  -5.301   1.291   0.416
   34   1HG1  ILE   9          1HG1      ILE   9  -4.504  -1.146   0.885
   35   2HG1  ILE   9          2HG1      ILE   9  -3.187  -0.370   1.756
   36   1HG2  ILE   9          1HG2      ILE   9  -2.818   0.247  -0.934
   37   2HG2  ILE   9          2HG2      ILE   9  -4.010   1.352  -1.619
   38   3HG2  ILE   9          3HG2      ILE   9  -4.457  -0.315  -1.258
   39   1HD1  ILE   9          1HD1      ILE   9  -6.119  -0.007   2.321
   40   2HD1  ILE   9          2HD1      ILE   9  -4.790   0.738   3.207
   41   3HD1  ILE   9          3HD1      ILE   9  -5.001  -1.012   3.241
   42    H    GLN  10           H        GLN  10  -5.278   3.686   0.329
   43    HA   GLN  10           HA       GLN  10  -4.554   4.545  -2.192
   44   1HB   GLN  10          1HB       GLN  10  -6.755   4.950  -1.208
   45   2HB   GLN  10          2HB       GLN  10  -6.051   6.089  -0.069
   46   1HG   GLN  10          1HG       GLN  10  -7.117   7.304  -1.826
   47   2HG   GLN  10          2HG       GLN  10  -5.373   7.510  -1.969
   48   1HE2  GLN  10          1HE2      GLN  10  -4.282   6.538  -3.682
   49   2HE2  GLN  10          2HE2      GLN  10  -5.109   5.953  -5.082
   50    H    MET  11           H        MET  11  -3.454   5.719   0.925
   51    HA   MET  11           HA       MET  11  -2.287   8.130   0.072
   52   1HB   MET  11          1HB       MET  11  -2.720   7.428   2.449
   53   2HB   MET  11          2HB       MET  11  -1.318   6.374   2.329
   54   1HG   MET  11          1HG       MET  11   0.093   8.326   1.876
   55   2HG   MET  11          2HG       MET  11  -1.318   9.370   2.040
   56   1HE   MET  11          1HE       MET  11  -0.348  10.887   3.911
   57   2HE   MET  11          2HE       MET  11   1.189  10.047   3.703
   58   3HE   MET  11          3HE       MET  11   0.521  10.278   5.319
   59    H    LEU  12           H        LEU  12  -0.658   5.036   0.801
   60    HA   LEU  12           HA       LEU  12   1.845   5.753  -0.200
   61   1HB   LEU  12          1HB       LEU  12   0.699   2.967  -0.242
   62   2HB   LEU  12          2HB       LEU  12   2.390   3.422  -0.162
   63    HG   LEU  12           HG       LEU  12   0.392   3.984   2.027
   64   1HD1  LEU  12          1HD1      LEU  12   2.440   1.783   1.820
   65   2HD1  LEU  12          2HD1      LEU  12   0.691   1.579   1.718
   66   3HD1  LEU  12          3HD1      LEU  12   1.429   2.133   3.222
   67   1HD2  LEU  12          1HD2      LEU  12   2.398   4.397   3.375
   68   2HD2  LEU  12          2HD2      LEU  12   2.289   5.510   2.011
   69   3HD2  LEU  12          3HD2      LEU  12   3.404   4.144   1.949
   70    H    LEU  13           H        LEU  13  -1.005   4.521  -1.823
   71    HA   LEU  13           HA       LEU  13   0.220   3.786  -4.256
   72   1HB   LEU  13          1HB       LEU  13  -2.574   4.434  -3.420
   73   2HB   LEU  13          2HB       LEU  13  -2.206   4.307  -5.130
   74    HG   LEU  13           HG       LEU  13  -1.650   2.115  -3.133
   75   1HD1  LEU  13          1HD1      LEU  13  -3.617   1.001  -4.026
   76   2HD1  LEU  13          2HD1      LEU  13  -3.960   2.396  -5.050
   77   3HD1  LEU  13          3HD1      LEU  13  -4.054   2.545  -3.295
   78   1HD2  LEU  13          1HD2      LEU  13  -1.484   0.737  -5.186
   79   2HD2  LEU  13          2HD2      LEU  13  -0.241   1.983  -5.080
   80   3HD2  LEU  13          3HD2      LEU  13  -1.627   2.210  -6.146
   81    H    GLU  14           H        GLU  14  -1.471   6.778  -3.312
   82    HA   GLU  14           HA       GLU  14  -1.103   8.138  -5.731
   83   1HB   GLU  14          1HB       GLU  14  -1.369   9.210  -2.918
   84   2HB   GLU  14          2HB       GLU  14  -1.434  10.208  -4.364
   85   1HG   GLU  14          1HG       GLU  14  -3.411   9.048  -5.120
   86   2HG   GLU  14          2HG       GLU  14  -3.322   7.946  -3.748
   87    H    ALA  15           H        ALA  15   0.940   7.882  -2.864
   88    HA   ALA  15           HA       ALA  15   2.882   9.774  -3.638
   89   1HB   ALA  15          1HB       ALA  15   2.702   8.962  -1.349
   90   2HB   ALA  15          2HB       ALA  15   4.326   8.686  -1.980
   91   3HB   ALA  15          3HB       ALA  15   3.182   7.347  -1.870
   92    H    ALA  16           H        ALA  16   2.604   6.292  -4.192
   93    HA   ALA  16           HA       ALA  16   5.117   5.939  -5.423
   94   1HB   ALA  16          1HB       ALA  16   3.786   4.079  -4.537
   95   2HB   ALA  16          2HB       ALA  16   4.237   3.818  -6.221
   96   3HB   ALA  16          3HB       ALA  16   2.597   4.326  -5.816
   97    H    ASP  17           H        ASP  17   1.876   6.473  -6.795
   98    HA   ASP  17           HA       ASP  17   2.714   6.467  -9.495
   99   1HB   ASP  17          1HB       ASP  17   0.361   6.140  -8.806
  100   2HB   ASP  17          2HB       ASP  17   0.296   7.816  -8.267
  101    H    TYR  18           H        TYR  18   2.759   8.856  -6.994
  102    HA   TYR  18           HA       TYR  18   2.958  11.170  -8.607
  103   1HB   TYR  18          1HB       TYR  18   2.389  11.387  -6.274
  104   2HB   TYR  18          2HB       TYR  18   3.888  10.604  -5.785
  105    HD1  TYR  18           HD1      TYR  18   5.971  11.823  -5.742
  106    HD2  TYR  18           HD2      TYR  18   2.396  13.698  -7.086
  107    HE1  TYR  18           HE1      TYR  18   7.070  14.018  -5.585
  108    HE2  TYR  18           HE2      TYR  18   3.485  15.897  -6.935
  109    HH   TYR  18           HH       TYR  18   5.373  16.937  -5.713
  110    H    LEU  19           H        LEU  19   5.486   9.389  -6.827
  111    HA   LEU  19           HA       LEU  19   7.667  10.758  -7.928
  112   1HB   LEU  19          1HB       LEU  19   7.654   7.887  -7.006
  113   2HB   LEU  19          2HB       LEU  19   9.034   8.965  -7.081
  114    HG   LEU  19           HG       LEU  19   6.670   9.355  -5.248
  115   1HD1  LEU  19          1HD1      LEU  19   8.107   8.573  -3.468
  116   2HD1  LEU  19          2HD1      LEU  19   9.421   8.301  -4.613
  117   3HD1  LEU  19          3HD1      LEU  19   7.955   7.325  -4.705
  118   1HD2  LEU  19          1HD2      LEU  19   7.840  11.421  -5.842
  119   2HD2  LEU  19          2HD2      LEU  19   9.369  10.701  -5.335
  120   3HD2  LEU  19          3HD2      LEU  19   8.097  10.996  -4.150
  121    H    GLU  20           H        GLU  20   6.255   7.625  -8.853
  122    HA   GLU  20           HA       GLU  20   7.962   7.164 -11.048
  123   1HB   GLU  20          1HB       GLU  20   5.160   6.147 -10.544
  124   2HB   GLU  20          2HB       GLU  20   6.260   5.513 -11.760
  125   1HG   GLU  20          1HG       GLU  20   6.747   5.493  -8.789
  126   2HG   GLU  20          2HG       GLU  20   6.182   4.124  -9.746
  127    H    ARG  21           H        ARG  21   5.161   9.144 -10.654
  128    HA   ARG  21           HA       ARG  21   4.025  10.542 -12.038
  129   1HB   ARG  21          1HB       ARG  21   6.333  11.406 -12.397
  130   2HB   ARG  21          2HB       ARG  21   6.485  10.333 -13.782
  131   1HG   ARG  21          1HG       ARG  21   4.555  11.491 -14.826
  132   2HG   ARG  21          2HG       ARG  21   4.562  12.629 -13.476
  133   1HD   ARG  21          1HD       ARG  21   5.750  13.565 -15.372
  134   2HD   ARG  21          2HD       ARG  21   6.865  13.263 -14.039
  135    HE   ARG  21           HE       ARG  21   6.756  11.076 -15.869
  136   1HH1  ARG  21          1HH1      ARG  21   8.136  14.231 -15.345
  137   2HH1  ARG  21          2HH1      ARG  21   9.514  13.938 -16.352
  138   1HH2  ARG  21          1HH2      ARG  21   8.567  10.682 -17.201
  139   2HH2  ARG  21          2HH2      ARG  21   9.759  11.922 -17.408
  140   1H    SER 295          1H        SER 295  -5.925  16.535  -4.463
  141   2H    SER 295          2H        SER 295  -7.260  17.148  -3.625
  142   3H    SER 295          3H        SER 295  -7.488  16.262  -5.049
  143    HA   SER 295           HA       SER 295  -8.020  14.935  -3.114
  144   1HB   SER 295          1HB       SER 295  -7.132  13.833  -5.128
  145   2HB   SER 295          2HB       SER 295  -5.488  14.061  -4.532
  146    HG   SER 295           HG       SER 295  -5.746  12.452  -3.182
  147    H    LEU 296           H        LEU 296  -7.358  13.913  -1.189
  148    HA   LEU 296           HA       LEU 296  -6.377  13.808   0.855
  149   1HB   LEU 296          1HB       LEU 296  -3.919  14.554  -0.729
  150   2HB   LEU 296          2HB       LEU 296  -3.898  14.050   0.950
  151    HG   LEU 296           HG       LEU 296  -4.819  12.354  -1.375
  152   1HD1  LEU 296          1HD1      LEU 296  -2.308  12.238   0.291
  153   2HD1  LEU 296          2HD1      LEU 296  -2.418  12.712  -1.405
  154   3HD1  LEU 296          3HD1      LEU 296  -2.788  11.055  -0.926
  155   1HD2  LEU 296          1HD2      LEU 296  -4.843  10.532   0.281
  156   2HD2  LEU 296          2HD2      LEU 296  -6.016  11.793   0.659
  157   3HD2  LEU 296          3HD2      LEU 296  -4.500  11.703   1.555
  158    H    GLN 297           H        GLN 297  -7.307  15.379   2.040
  159    HA   GLN 297           HA       GLN 297  -6.176  18.089   1.878
  160   1HB   GLN 297          1HB       GLN 297  -8.817  17.169   3.031
  161   2HB   GLN 297          2HB       GLN 297  -8.251  18.834   2.985
  162   1HG   GLN 297          1HG       GLN 297  -8.247  18.764   0.541
  163   2HG   GLN 297          2HG       GLN 297  -8.827  17.100   0.593
  164   1HE2  GLN 297          1HE2      GLN 297 -10.696  17.606  -0.535
  165   2HE2  GLN 297          2HE2      GLN 297 -11.998  18.488   0.181
  166    H    ASN 298           H        ASN 298  -4.546  18.241   3.297
  167    HA   ASN 298           HA       ASN 298  -5.136  17.680   6.107
  168   1HB   ASN 298          1HB       ASN 298  -3.872  15.740   5.097
  169   2HB   ASN 298          2HB       ASN 298  -2.528  16.845   4.830
  170   1HD2  ASN 298          1HD2      ASN 298  -4.439  15.172   7.205
  171   2HD2  ASN 298          2HD2      ASN 298  -3.350  15.395   8.530
  172    H    ASN 299           H        ASN 299  -3.541  18.711   7.578
  173    HA   ASN 299           HA       ASN 299  -2.987  21.391   6.654
  174   1HB   ASN 299          1HB       ASN 299  -3.969  21.125   8.848
  175   2HB   ASN 299          2HB       ASN 299  -2.648  20.077   9.356
  176   1HD2  ASN 299          1HD2      ASN 299  -3.611  23.338   8.639
  177   2HD2  ASN 299          2HD2      ASN 299  -2.249  24.114   9.366
  178    H    GLN 300           H        GLN 300  -0.970  19.192   8.603
  179    HA   GLN 300           HA       GLN 300   1.427  20.411   7.581
  180   1HB   GLN 300          1HB       GLN 300   2.587  18.814   9.066
  181   2HB   GLN 300          2HB       GLN 300   1.354  19.745   9.906
  182   1HG   GLN 300          1HG       GLN 300  -0.178  17.829   9.696
  183   2HG   GLN 300          2HG       GLN 300   1.124  16.920   8.936
  184   1HE2  GLN 300          1HE2      GLN 300   1.093  15.358  10.552
  185   2HE2  GLN 300          2HE2      GLN 300   1.724  15.661  12.131
  186    HA   PRO 301           HA       PRO 301   2.001  17.408   4.343
  187   1HB   PRO 301          1HB       PRO 301   4.364  18.227   3.418
  188   2HB   PRO 301          2HB       PRO 301   2.926  19.243   3.258
  189   1HG   PRO 301          1HG       PRO 301   5.176  19.436   5.215
  190   2HG   PRO 301          2HG       PRO 301   4.312  20.731   4.369
  191   1HD   PRO 301          1HD       PRO 301   3.818  19.915   6.977
  192   2HD   PRO 301          2HD       PRO 301   2.683  20.823   5.958
  193    H    VAL 302           H        VAL 302   3.384  17.240   7.273
  194    HA   VAL 302           HA       VAL 302   5.729  15.751   6.969
  195    HB   VAL 302           HB       VAL 302   3.698  15.522   9.196
  196   1HG1  VAL 302          1HG1      VAL 302   5.617  14.794  10.550
  197   2HG1  VAL 302          2HG1      VAL 302   6.632  14.827   9.109
  198   3HG1  VAL 302          3HG1      VAL 302   5.289  13.689   9.215
  199   1HG2  VAL 302          1HG2      VAL 302   5.070  17.188  10.356
  200   2HG2  VAL 302          2HG2      VAL 302   4.400  17.832   8.857
  201   3HG2  VAL 302          3HG2      VAL 302   6.092  17.339   8.927
  202    H    GLU 303           H        GLU 303   2.360  14.669   7.287
  203    HA   GLU 303           HA       GLU 303   2.842  11.916   7.278
  204   1HB   GLU 303          1HB       GLU 303   0.452  13.438   6.225
  205   2HB   GLU 303          2HB       GLU 303   0.489  11.704   6.521
  206   1HG   GLU 303          1HG       GLU 303   0.922  12.136   8.898
  207   2HG   GLU 303          2HG       GLU 303   0.828  13.869   8.585
  208    H    PHE 304           H        PHE 304   2.123  14.108   4.568
  209    HA   PHE 304           HA       PHE 304   2.171  12.201   2.529
  210   1HB   PHE 304          1HB       PHE 304   1.400  14.578   2.300
  211   2HB   PHE 304          2HB       PHE 304   3.087  15.077   2.303
  212    HD1  PHE 304           HD1      PHE 304   0.772  12.770   0.515
  213    HD2  PHE 304           HD2      PHE 304   4.179  15.310   0.288
  214    HE1  PHE 304           HE1      PHE 304   0.870  12.415  -1.918
  215    HE2  PHE 304           HE2      PHE 304   4.281  14.960  -2.145
  216    HZ   PHE 304           HZ       PHE 304   2.626  13.511  -3.250
  217    H    ASN 305           H        ASN 305   4.774  14.119   3.956
  218    HA   ASN 305           HA       ASN 305   6.840  13.279   2.247
  219   1HB   ASN 305          1HB       ASN 305   7.049  15.210   3.765
  220   2HB   ASN 305          2HB       ASN 305   7.003  14.124   5.151
  221   1HD2  ASN 305          1HD2      ASN 305   8.662  13.431   2.147
  222   2HD2  ASN 305          2HD2      ASN 305  10.262  13.499   2.794
  223    H    HIS 306           H        HIS 306   5.365  11.848   5.070
  224    HA   HIS 306           HA       HIS 306   7.333   9.842   5.511
  225   1HB   HIS 306          1HB       HIS 306   5.683  10.560   7.227
  226   2HB   HIS 306          2HB       HIS 306   4.403   9.819   6.275
  227    HD1  HIS 306           HD1      HIS 306   7.161   9.026   8.630
  228    HD2  HIS 306           HD2      HIS 306   4.381   6.984   6.312
  229    HE1  HIS 306           HE1      HIS 306   7.198   6.656   9.469
  230    HE2  HIS 306           HE2      HIS 306   5.478   5.447   8.079
  231    H    ALA 307           H        ALA 307   4.398  10.047   3.587
  232    HA   ALA 307           HA       ALA 307   4.204   7.332   2.854
  233   1HB   ALA 307          1HB       ALA 307   2.370   8.932   2.563
  234   2HB   ALA 307          2HB       ALA 307   2.757   8.106   1.054
  235   3HB   ALA 307          3HB       ALA 307   3.298   9.763   1.316
  236    H    ILE 308           H        ILE 308   5.721  10.104   1.216
  237    HA   ILE 308           HA       ILE 308   6.679   8.631  -1.001
  238    HB   ILE 308           HB       ILE 308   7.607  11.253   0.173
  239   1HG1  ILE 308          1HG1      ILE 308   5.920  10.568  -2.246
  240   2HG1  ILE 308          2HG1      ILE 308   5.341  11.275  -0.743
  241   1HG2  ILE 308          1HG2      ILE 308   8.424   9.967  -2.431
  242   2HG2  ILE 308          2HG2      ILE 308   9.458  10.220  -1.026
  243   3HG2  ILE 308          3HG2      ILE 308   8.834  11.604  -1.922
  244   1HD1  ILE 308          1HD1      ILE 308   7.204  12.558  -2.726
  245   2HD1  ILE 308          2HD1      ILE 308   6.713  13.269  -1.188
  246   3HD1  ILE 308          3HD1      ILE 308   5.512  12.968  -2.444
  247    H    ASN 309           H        ASN 309   8.128   9.503   2.105
  248    HA   ASN 309           HA       ASN 309  10.724   8.569   1.573
  249   1HB   ASN 309          1HB       ASN 309  10.173  10.029   3.481
  250   2HB   ASN 309          2HB       ASN 309   9.280   8.706   4.229
  251   1HD2  ASN 309          1HD2      ASN 309  12.411   9.956   3.413
  252   2HD2  ASN 309          2HD2      ASN 309  13.326   8.875   4.401
  253    H    TYR 310           H        TYR 310   7.838   6.943   2.753
  254    HA   TYR 310           HA       TYR 310   9.115   4.510   3.465
  255   1HB   TYR 310          1HB       TYR 310   6.920   5.161   4.357
  256   2HB   TYR 310          2HB       TYR 310   6.224   5.039   2.745
  257    HD1  TYR 310           HD1      TYR 310   4.948   3.160   2.397
  258    HD2  TYR 310           HD2      TYR 310   8.324   2.879   4.973
  259    HE1  TYR 310           HE1      TYR 310   4.441   0.787   2.794
  260    HE2  TYR 310           HE2      TYR 310   7.826   0.505   5.376
  261    HH   TYR 310           HH       TYR 310   5.832  -0.997   5.276
  262    H    VAL 311           H        VAL 311   7.081   5.355   0.650
  263    HA   VAL 311           HA       VAL 311   7.447   2.950  -0.734
  264    HB   VAL 311           HB       VAL 311   6.948   5.689  -1.912
  265   1HG1  VAL 311          1HG1      VAL 311   6.484   2.934  -3.050
  266   2HG1  VAL 311          2HG1      VAL 311   7.673   4.113  -3.605
  267   3HG1  VAL 311          3HG1      VAL 311   5.950   4.444  -3.789
  268   1HG2  VAL 311          1HG2      VAL 311   5.004   3.556  -1.028
  269   2HG2  VAL 311          2HG2      VAL 311   4.579   5.056  -1.853
  270   3HG2  VAL 311          3HG2      VAL 311   5.279   5.109  -0.236
  271    H    ASN 312           H        ASN 312   9.393   5.870  -0.615
  272    HA   ASN 312           HA       ASN 312  11.118   5.165  -2.774
  273   1HB   ASN 312          1HB       ASN 312  10.860   7.494  -2.042
  274   2HB   ASN 312          2HB       ASN 312  11.560   7.089  -0.477
  275   1HD2  ASN 312          1HD2      ASN 312  12.177   7.595  -3.853
  276   2HD2  ASN 312          2HD2      ASN 312  13.897   7.697  -3.734
  277    H    LYS 313           H        LYS 313  11.127   4.635   0.695
  278    HA   LYS 313           HA       LYS 313  13.776   3.713   0.947
  279   1HB   LYS 313          1HB       LYS 313  12.463   4.357   2.890
  280   2HB   LYS 313          2HB       LYS 313  11.317   3.061   2.580
  281   1HG   LYS 313          1HG       LYS 313  12.980   1.399   3.083
  282   2HG   LYS 313          2HG       LYS 313  14.222   2.640   3.244
  283   1HD   LYS 313          1HD       LYS 313  13.441   1.898   5.433
  284   2HD   LYS 313          2HD       LYS 313  13.027   3.590   5.156
  285   1HE   LYS 313          1HE       LYS 313  11.178   2.343   6.186
  286   2HE   LYS 313          2HE       LYS 313  10.750   2.972   4.595
  287   1HZ   LYS 313          1HZ       LYS 313  10.001   0.688   4.904
  288   2HZ   LYS 313          2HZ       LYS 313  11.594   0.181   5.166
  289   3HZ   LYS 313          3HZ       LYS 313  11.139   0.790   3.656
  290    H    ILE 314           H        ILE 314  10.720   1.991   0.382
  291    HA   ILE 314           HA       ILE 314  11.849  -0.604   0.323
  292    HB   ILE 314           HB       ILE 314   9.332   0.359  -1.048
  293   1HG1  ILE 314          1HG1      ILE 314   9.704  -0.881   1.689
  294   2HG1  ILE 314          2HG1      ILE 314   9.358   0.817   1.384
  295   1HG2  ILE 314          1HG2      ILE 314   8.640  -1.989  -0.946
  296   2HG2  ILE 314          2HG2      ILE 314  10.204  -2.419  -0.256
  297   3HG2  ILE 314          3HG2      ILE 314  10.110  -1.789  -1.900
  298   1HD1  ILE 314          1HD1      ILE 314   7.359  -0.374   2.054
  299   2HD1  ILE 314          2HD1      ILE 314   7.561  -1.503   0.716
  300   3HD1  ILE 314          3HD1      ILE 314   7.212   0.195   0.393
  301    H    LYS 315           H        LYS 315  11.055   1.720  -2.237
  302    HA   LYS 315           HA       LYS 315  11.798   0.116  -4.420
  303   1HB   LYS 315          1HB       LYS 315  10.458   2.180  -4.611
  304   2HB   LYS 315          2HB       LYS 315  11.873   3.129  -4.182
  305   1HG   LYS 315          1HG       LYS 315  13.005   2.373  -6.203
  306   2HG   LYS 315          2HG       LYS 315  11.600   1.395  -6.629
  307   1HD   LYS 315          1HD       LYS 315  10.231   3.406  -6.781
  308   2HD   LYS 315          2HD       LYS 315  11.611   4.396  -6.305
  309   1HE   LYS 315          1HE       LYS 315  11.299   4.480  -8.712
  310   2HE   LYS 315          2HE       LYS 315  12.814   3.670  -8.316
  311   1HZ   LYS 315          1HZ       LYS 315  11.621   2.499 -10.051
  312   2HZ   LYS 315          2HZ       LYS 315  10.270   2.324  -9.048
  313   3HZ   LYS 315          3HZ       LYS 315  11.718   1.541  -8.659
  314    H    ASN 316           H        ASN 316  13.666   2.106  -2.236
  315    HA   ASN 316           HA       ASN 316  16.043   2.151  -3.819
  316   1HB   ASN 316          1HB       ASN 316  15.621   3.868  -2.130
  317   2HB   ASN 316          2HB       ASN 316  15.650   2.648  -0.860
  318   1HD2  ASN 316          1HD2      ASN 316  17.537   4.501  -3.102
  319   2HD2  ASN 316          2HD2      ASN 316  19.081   4.140  -2.417
  320    H    ARG 317           H        ARG 317  15.002   0.252  -0.997
  321    HA   ARG 317           HA       ARG 317  17.327  -1.246  -0.651
  322   1HB   ARG 317          1HB       ARG 317  14.442  -1.936  -0.091
  323   2HB   ARG 317          2HB       ARG 317  15.789  -2.949   0.407
  324   1HG   ARG 317          1HG       ARG 317  15.447  -0.074   1.230
  325   2HG   ARG 317          2HG       ARG 317  14.913  -1.457   2.188
  326   1HD   ARG 317          1HD       ARG 317  17.221  -2.287   2.256
  327   2HD   ARG 317          2HD       ARG 317  17.746  -0.888   1.322
  328    HE   ARG 317           HE       ARG 317  16.579   0.280   3.421
  329   1HH1  ARG 317          1HH1      ARG 317  18.862  -2.346   3.231
  330   2HH1  ARG 317          2HH1      ARG 317  19.603  -1.982   4.754
  331   1HH2  ARG 317          1HH2      ARG 317  17.551   0.768   5.426
  332   2HH2  ARG 317          2HH2      ARG 317  18.860  -0.212   5.999
  333    H    PHE 318           H        PHE 318  14.366  -2.202  -2.393
  334    HA   PHE 318           HA       PHE 318  15.810  -4.390  -3.658
  335   1HB   PHE 318          1HB       PHE 318  12.900  -3.578  -3.791
  336   2HB   PHE 318          2HB       PHE 318  13.581  -5.002  -4.571
  337    HD1  PHE 318           HD1      PHE 318  12.642  -3.479  -1.378
  338    HD2  PHE 318           HD2      PHE 318  14.206  -6.942  -3.294
  339    HE1  PHE 318           HE1      PHE 318  12.274  -4.779   0.680
  340    HE2  PHE 318           HE2      PHE 318  13.840  -8.247  -1.240
  341    HZ   PHE 318           HZ       PHE 318  12.872  -7.166   0.750
  342    H    GLN 319           H        GLN 319  16.658  -1.788  -4.385
  343    HA   GLN 319           HA       GLN 319  15.526  -0.794  -6.737
  344   1HB   GLN 319          1HB       GLN 319  17.209   0.414  -5.398
  345   2HB   GLN 319          2HB       GLN 319  18.433  -0.742  -5.905
  346   1HG   GLN 319          1HG       GLN 319  18.613   1.300  -7.183
  347   2HG   GLN 319          2HG       GLN 319  18.135  -0.038  -8.228
  348   1HE2  GLN 319          1HE2      GLN 319  16.039  -0.098  -9.057
  349   2HE2  GLN 319          2HE2      GLN 319  15.024   1.299  -9.078
  350    H    GLY 320           H        GLY 320  18.002  -3.282  -6.247
  351   1HA   GLY 320          1HA       GLY 320  18.566  -3.662  -9.009
  352   2HA   GLY 320          2HA       GLY 320  18.966  -4.776  -7.710
  353    H    GLN 321           H        GLN 321  16.150  -4.970  -6.850
  354    HA   GLN 321           HA       GLN 321  15.189  -6.703  -9.027
  355   1HB   GLN 321          1HB       GLN 321  14.862  -6.946  -6.036
  356   2HB   GLN 321          2HB       GLN 321  13.960  -7.922  -7.186
  357   1HG   GLN 321          1HG       GLN 321  16.957  -7.852  -6.926
  358   2HG   GLN 321          2HG       GLN 321  15.898  -9.105  -6.284
  359   1HE2  GLN 321          1HE2      GLN 321  17.290  -7.711  -9.145
  360   2HE2  GLN 321          2HE2      GLN 321  16.902  -9.012 -10.214
  361    HA   PRO 322           HA       PRO 322  12.014  -3.385  -8.770
  362   1HB   PRO 322          1HB       PRO 322  11.270  -3.557 -11.377
  363   2HB   PRO 322          2HB       PRO 322  12.652  -2.599 -10.833
  364   1HG   PRO 322          1HG       PRO 322  12.603  -5.336 -12.043
  365   2HG   PRO 322          2HG       PRO 322  13.706  -3.986 -12.370
  366   1HD   PRO 322          1HD       PRO 322  14.382  -6.065 -10.772
  367   2HD   PRO 322          2HD       PRO 322  14.994  -4.420 -10.511
  368    H    ASP 323           H        ASP 323  11.985  -6.714  -9.457
  369    HA   ASP 323           HA       ASP 323   9.280  -7.114 -10.133
  370   1HB   ASP 323          1HB       ASP 323  11.203  -8.969  -8.712
  371   2HB   ASP 323          2HB       ASP 323   9.660  -9.451  -9.409
  372    H    ILE 324           H        ILE 324  10.957  -7.099  -7.008
  373    HA   ILE 324           HA       ILE 324   8.752  -7.800  -5.412
  374    HB   ILE 324           HB       ILE 324  11.081  -6.045  -4.622
  375   1HG1  ILE 324          1HG1      ILE 324  11.818  -8.183  -5.622
  376   2HG1  ILE 324          2HG1      ILE 324  12.198  -8.090  -3.906
  377   1HG2  ILE 324          1HG2      ILE 324  10.632  -6.885  -2.357
  378   2HG2  ILE 324          2HG2      ILE 324   9.220  -7.746  -2.969
  379   3HG2  ILE 324          3HG2      ILE 324   9.266  -5.984  -3.015
  380   1HD1  ILE 324          1HD1      ILE 324   9.873  -9.582  -5.103
  381   2HD1  ILE 324          2HD1      ILE 324  10.303  -9.519  -3.393
  382   3HD1  ILE 324          3HD1      ILE 324  11.386 -10.297  -4.546
  383    H    TYR 325           H        TYR 325  10.043  -4.640  -6.371
  384    HA   TYR 325           HA       TYR 325   8.272  -3.025  -4.933
  385   1HB   TYR 325          1HB       TYR 325  10.328  -2.220  -6.070
  386   2HB   TYR 325          2HB       TYR 325   9.536  -2.450  -7.624
  387    HD1  TYR 325           HD1      TYR 325   8.635  -0.813  -4.375
  388    HD2  TYR 325           HD2      TYR 325   8.879  -0.484  -8.611
  389    HE1  TYR 325           HE1      TYR 325   7.745   1.476  -4.243
  390    HE2  TYR 325           HE2      TYR 325   7.988   1.804  -8.489
  391    HH   TYR 325           HH       TYR 325   6.663   3.188  -6.981
  392    H    LYS 326           H        LYS 326   8.067  -4.252  -8.260
  393    HA   LYS 326           HA       LYS 326   5.593  -3.101  -8.909
  394   1HB   LYS 326          1HB       LYS 326   6.956  -5.592  -9.942
  395   2HB   LYS 326          2HB       LYS 326   5.481  -4.937 -10.638
  396   1HG   LYS 326          1HG       LYS 326   8.089  -3.447 -10.439
  397   2HG   LYS 326          2HG       LYS 326   7.520  -4.301 -11.874
  398   1HD   LYS 326          1HD       LYS 326   5.552  -2.847 -11.957
  399   2HD   LYS 326          2HD       LYS 326   6.116  -1.999 -10.516
  400   1HE   LYS 326          1HE       LYS 326   8.123  -1.291 -11.719
  401   2HE   LYS 326          2HE       LYS 326   7.564  -2.142 -13.159
  402   1HZ   LYS 326          1HZ       LYS 326   6.174   0.135 -11.849
  403   2HZ   LYS 326          2HZ       LYS 326   5.645  -0.678 -13.236
  404   3HZ   LYS 326          3HZ       LYS 326   7.077   0.219 -13.279
  405    H    ALA 327           H        ALA 327   6.443  -6.095  -7.282
  406    HA   ALA 327           HA       ALA 327   3.951  -7.364  -7.328
  407   1HB   ALA 327          1HB       ALA 327   4.752  -8.663  -5.434
  408   2HB   ALA 327          2HB       ALA 327   6.049  -7.498  -5.164
  409   3HB   ALA 327          3HB       ALA 327   6.030  -8.471  -6.635
  410    H    PHE 328           H        PHE 328   5.374  -5.287  -4.806
  411    HA   PHE 328           HA       PHE 328   3.180  -5.232  -3.087
  412   1HB   PHE 328          1HB       PHE 328   5.386  -4.407  -2.435
  413   2HB   PHE 328          2HB       PHE 328   5.261  -3.093  -3.595
  414    HD1  PHE 328           HD1      PHE 328   5.143  -1.109  -2.458
  415    HD2  PHE 328           HD2      PHE 328   2.874  -4.421  -1.044
  416    HE1  PHE 328           HE1      PHE 328   4.143   0.320  -0.722
  417    HE2  PHE 328           HE2      PHE 328   1.872  -2.998   0.692
  418    HZ   PHE 328           HZ       PHE 328   2.506  -0.625   0.855
  419    H    LEU 329           H        LEU 329   4.035  -3.050  -5.758
  420    HA   LEU 329           HA       LEU 329   1.924  -1.247  -5.507
  421   1HB   LEU 329          1HB       LEU 329   3.321  -2.199  -8.010
  422   2HB   LEU 329          2HB       LEU 329   2.260  -0.806  -7.932
  423    HG   LEU 329           HG       LEU 329   4.869  -1.089  -6.439
  424   1HD1  LEU 329          1HD1      LEU 329   4.131   0.455  -8.918
  425   2HD1  LEU 329          2HD1      LEU 329   5.298  -0.862  -8.785
  426   3HD1  LEU 329          3HD1      LEU 329   5.622   0.687  -8.005
  427   1HD2  LEU 329          1HD2      LEU 329   3.245   0.302  -5.254
  428   2HD2  LEU 329          2HD2      LEU 329   2.997   1.261  -6.713
  429   3HD2  LEU 329          3HD2      LEU 329   4.565   1.274  -5.904
  430    H    GLU 330           H        GLU 330   2.091  -4.355  -7.173
  431    HA   GLU 330           HA       GLU 330  -0.449  -4.203  -8.403
  432   1HB   GLU 330          1HB       GLU 330   1.332  -6.528  -7.688
  433   2HB   GLU 330          2HB       GLU 330  -0.210  -6.739  -8.509
  434   1HG   GLU 330          1HG       GLU 330   0.564  -5.375 -10.360
  435   2HG   GLU 330          2HG       GLU 330   2.094  -5.093  -9.533
  436    H    ILE 331           H        ILE 331   0.638  -5.396  -5.268
  437    HA   ILE 331           HA       ILE 331  -1.736  -6.669  -4.481
  438    HB   ILE 331           HB       ILE 331   0.367  -5.307  -2.791
  439   1HG1  ILE 331          1HG1      ILE 331  -0.110  -8.237  -3.385
  440   2HG1  ILE 331          2HG1      ILE 331   1.118  -7.244  -4.162
  441   1HG2  ILE 331          1HG2      ILE 331  -1.697  -5.427  -1.536
  442   2HG2  ILE 331          2HG2      ILE 331  -0.554  -6.617  -0.914
  443   3HG2  ILE 331          3HG2      ILE 331  -1.885  -7.130  -1.953
  444   1HD1  ILE 331          1HD1      ILE 331   2.185  -6.890  -1.982
  445   2HD1  ILE 331          2HD1      ILE 331   2.095  -8.596  -2.417
  446   3HD1  ILE 331          3HD1      ILE 331   0.970  -7.927  -1.235
  447    H    LEU 332           H        LEU 332  -0.614  -3.332  -3.967
  448    HA   LEU 332           HA       LEU 332  -2.914  -2.498  -2.545
  449   1HB   LEU 332          1HB       LEU 332  -1.090  -0.749  -4.187
  450   2HB   LEU 332          2HB       LEU 332  -2.114  -0.254  -2.854
  451    HG   LEU 332           HG       LEU 332   0.416  -1.885  -2.724
  452   1HD1  LEU 332          1HD1      LEU 332   0.812   0.465  -2.848
  453   2HD1  LEU 332          2HD1      LEU 332   1.069  -0.042  -1.178
  454   3HD1  LEU 332          3HD1      LEU 332  -0.419   0.790  -1.627
  455   1HD2  LEU 332          1HD2      LEU 332  -1.211  -2.887  -1.204
  456   2HD2  LEU 332          2HD2      LEU 332  -1.532  -1.305  -0.493
  457   3HD2  LEU 332          3HD2      LEU 332   0.058  -2.048  -0.312
  458    H    HIS 333           H        HIS 333  -2.072  -2.462  -5.976
  459    HA   HIS 333           HA       HIS 333  -4.207  -0.891  -6.892
  460   1HB   HIS 333          1HB       HIS 333  -2.472  -2.976  -8.170
  461   2HB   HIS 333          2HB       HIS 333  -3.850  -2.324  -9.049
  462    HD1  HIS 333           HD1      HIS 333  -3.621   0.637  -8.266
  463    HD2  HIS 333           HD2      HIS 333  -0.401  -1.726  -9.414
  464    HE1  HIS 333           HE1      HIS 333  -1.878   2.240  -9.110
  465    HE2  HIS 333           HE2      HIS 333   0.015   0.780  -9.904
  466    H    THR 334           H        THR 334  -3.924  -4.423  -6.602
  467    HA   THR 334           HA       THR 334  -6.495  -5.042  -7.545
  468    HB   THR 334           HB       THR 334  -4.893  -6.623  -5.523
  469    HG1  THR 334           HG1      THR 334  -4.776  -7.442  -8.129
  470   1HG2  THR 334          1HG2      THR 334  -6.983  -7.485  -7.529
  471   2HG2  THR 334          2HG2      THR 334  -7.224  -7.356  -5.787
  472   3HG2  THR 334          3HG2      THR 334  -6.096  -8.546  -6.435
  473    H    TYR 335           H        TYR 335  -5.283  -4.442  -4.267
  474    HA   TYR 335           HA       TYR 335  -7.645  -4.999  -2.868
  475   1HB   TYR 335          1HB       TYR 335  -5.512  -4.742  -1.724
  476   2HB   TYR 335          2HB       TYR 335  -5.421  -3.054  -2.212
  477    HD1  TYR 335           HD1      TYR 335  -7.019  -5.450   0.056
  478    HD2  TYR 335           HD2      TYR 335  -6.751  -1.361  -1.089
  479    HE1  TYR 335           HE1      TYR 335  -8.173  -4.799   2.128
  480    HE2  TYR 335           HE2      TYR 335  -7.905  -0.699   0.979
  481    HH   TYR 335           HH       TYR 335  -9.469  -1.741   2.629
  482    H    GLN 336           H        GLN 336  -6.507  -2.052  -4.436
  483    HA   GLN 336           HA       GLN 336  -8.626  -0.397  -3.486
  484   1HB   GLN 336          1HB       GLN 336  -6.471   0.527  -4.225
  485   2HB   GLN 336          2HB       GLN 336  -6.790  -0.029  -5.862
  486   1HG   GLN 336          1HG       GLN 336  -8.747   1.452  -5.965
  487   2HG   GLN 336          2HG       GLN 336  -8.371   2.034  -4.344
  488   1HE2  GLN 336          1HE2      GLN 336  -5.933   1.269  -6.725
  489   2HE2  GLN 336          2HE2      GLN 336  -5.406   2.892  -6.993
  490    H    LYS 337           H        LYS 337  -8.184  -2.499  -6.236
  491    HA   LYS 337           HA       LYS 337 -10.360  -1.505  -7.774
  492   1HB   LYS 337          1HB       LYS 337  -8.554  -2.770  -8.800
  493   2HB   LYS 337          2HB       LYS 337  -8.970  -4.186  -7.845
  494   1HG   LYS 337          1HG       LYS 337 -11.093  -4.374  -8.989
  495   2HG   LYS 337          2HG       LYS 337 -10.761  -2.897  -9.896
  496   1HD   LYS 337          1HD       LYS 337  -8.840  -3.962 -10.952
  497   2HD   LYS 337          2HD       LYS 337  -9.129  -5.433 -10.020
  498   1HE   LYS 337          1HE       LYS 337  -9.997  -5.649 -12.287
  499   2HE   LYS 337          2HE       LYS 337 -11.303  -5.694 -11.103
  500   1HZ   LYS 337          1HZ       LYS 337 -11.760  -3.365 -11.584
  501   2HZ   LYS 337          2HZ       LYS 337 -11.882  -4.305 -12.984
  502   3HZ   LYS 337          3HZ       LYS 337 -10.518  -3.337 -12.732
  503    H    GLU 338           H        GLU 338  -9.999  -4.323  -5.634
  504    HA   GLU 338           HA       GLU 338 -12.668  -5.216  -5.890
  505   1HB   GLU 338          1HB       GLU 338 -10.692  -5.666  -3.645
  506   2HB   GLU 338          2HB       GLU 338 -12.184  -6.567  -3.879
  507   1HG   GLU 338          1HG       GLU 338  -9.868  -6.496  -5.800
  508   2HG   GLU 338          2HG       GLU 338 -10.222  -7.794  -4.663
  509    H    GLN 339           H        GLN 339 -11.052  -3.111  -3.554
  510    HA   GLN 339           HA       GLN 339 -13.192  -2.798  -1.768
  511   1HB   GLN 339          1HB       GLN 339 -10.852  -2.126  -1.296
  512   2HB   GLN 339          2HB       GLN 339 -11.024  -0.797  -2.434
  513   1HG   GLN 339          1HG       GLN 339 -12.815   0.138  -1.033
  514   2HG   GLN 339          2HG       GLN 339 -12.567  -1.170   0.121
  515   1HE2  GLN 339          1HE2      GLN 339  -9.978   0.384  -1.634
  516   2HE2  GLN 339          2HE2      GLN 339  -9.263   1.168  -0.271
  517    H    ARG 340           H        ARG 340 -12.185  -0.789  -4.525
  518    HA   ARG 340           HA       ARG 340 -14.256   1.100  -4.320
  519   1HB   ARG 340          1HB       ARG 340 -12.213   1.446  -5.660
  520   2HB   ARG 340          2HB       ARG 340 -12.754   0.215  -6.792
  521   1HG   ARG 340          1HG       ARG 340 -14.672   1.574  -7.393
  522   2HG   ARG 340          2HG       ARG 340 -14.192   2.797  -6.216
  523   1HD   ARG 340          1HD       ARG 340 -12.091   3.132  -7.447
  524   2HD   ARG 340          2HD       ARG 340 -12.610   1.937  -8.636
  525    HE   ARG 340           HE       ARG 340 -14.626   3.780  -8.581
  526   1HH1  ARG 340          1HH1      ARG 340 -11.189   3.897  -9.152
  527   2HH1  ARG 340          2HH1      ARG 340 -11.286   5.251 -10.227
  528   1HH2  ARG 340          1HH2      ARG 340 -14.761   5.559  -9.993
  529   2HH2  ARG 340          2HH2      ARG 340 -13.316   6.196 -10.705
  530    H    ASN 341           H        ASN 341 -14.051  -2.017  -5.936
  531    HA   ASN 341           HA       ASN 341 -16.388  -1.863  -7.476
  532   1HB   ASN 341          1HB       ASN 341 -14.515  -3.662  -7.457
  533   2HB   ASN 341          2HB       ASN 341 -15.460  -4.416  -6.179
  534   1HD2  ASN 341          1HD2      ASN 341 -18.004  -3.533  -7.360
  535   2HD2  ASN 341          2HD2      ASN 341 -18.271  -4.564  -8.718
  536    H    ALA 342           H        ALA 342 -15.882  -3.248  -4.234
  537    HA   ALA 342           HA       ALA 342 -18.525  -3.957  -3.707
  538   1HB   ALA 342          1HB       ALA 342 -16.618  -4.701  -2.355
  539   2HB   ALA 342          2HB       ALA 342 -17.890  -3.993  -1.360
  540   3HB   ALA 342          3HB       ALA 342 -16.434  -3.064  -1.724
  541    H    LYS 343           H        LYS 343 -16.814  -0.912  -3.112
  542    HA   LYS 343           HA       LYS 343 -18.988   0.359  -1.793
  543   1HB   LYS 343          1HB       LYS 343 -16.600   1.063  -1.601
  544   2HB   LYS 343          2HB       LYS 343 -16.679   1.653  -3.256
  545   1HG   LYS 343          1HG       LYS 343 -18.450   3.225  -2.590
  546   2HG   LYS 343          2HG       LYS 343 -18.299   2.661  -0.925
  547   1HD   LYS 343          1HD       LYS 343 -16.092   3.933  -2.545
  548   2HD   LYS 343          2HD       LYS 343 -17.065   4.756  -1.325
  549   1HE   LYS 343          1HE       LYS 343 -15.262   2.385  -0.845
  550   2HE   LYS 343          2HE       LYS 343 -14.893   4.058  -0.432
  551   1HZ   LYS 343          1HZ       LYS 343 -17.124   2.446   0.686
  552   2HZ   LYS 343          2HZ       LYS 343 -16.788   4.057   1.076
  553   3HZ   LYS 343          3HZ       LYS 343 -15.687   2.841   1.489
  554    H    GLU 344           H        GLU 344 -18.180  -0.197  -5.100
  555    HA   GLU 344           HA       GLU 344 -19.799   1.911  -6.186
  556   1HB   GLU 344          1HB       GLU 344 -17.880   1.016  -7.423
  557   2HB   GLU 344          2HB       GLU 344 -18.652  -0.561  -7.501
  558   1HG   GLU 344          1HG       GLU 344 -20.446   0.368  -8.856
  559   2HG   GLU 344          2HG       GLU 344 -19.706   1.965  -8.755
  560    H    ALA 345           H        ALA 345 -20.230  -1.495  -5.441
  561    HA   ALA 345           HA       ALA 345 -22.679  -1.870  -6.798
  562   1HB   ALA 345          1HB       ALA 345 -21.655  -3.311  -4.354
  563   2HB   ALA 345          2HB       ALA 345 -21.268  -3.725  -6.024
  564   3HB   ALA 345          3HB       ALA 345 -22.926  -3.870  -5.441
  565    H    GLY 346           H        GLY 346 -21.882  -0.683  -3.582
  566   1HA   GLY 346          1HA       GLY 346 -23.149   0.504  -2.072
  567   2HA   GLY 346          2HA       GLY 346 -24.368   0.672  -3.326
  568    H    GLY 347           H        GLY 347 -23.379  -1.051  -0.509
  569   1HA   GLY 347          1HA       GLY 347 -25.466  -1.854   0.712
  570   2HA   GLY 347          2HA       GLY 347 -25.735  -2.812  -0.737
  571    H    ASN 348           H        ASN 348 -24.890  -4.797  -0.825
  572    HA   ASN 348           HA       ASN 348 -22.779  -5.489   1.111
  573   1HB   ASN 348          1HB       ASN 348 -25.146  -7.194   0.301
  574   2HB   ASN 348          2HB       ASN 348 -23.831  -7.713   1.351
  575   1HD2  ASN 348          1HD2      ASN 348 -26.645  -5.699   1.057
  576   2HD2  ASN 348          2HD2      ASN 348 -26.826  -5.357   2.741
  577    H    TYR 349           H        TYR 349 -21.028  -6.429   0.273
  578    HA   TYR 349           HA       TYR 349 -21.240  -7.825  -2.296
  579   1HB   TYR 349          1HB       TYR 349 -20.493  -5.484  -2.719
  580   2HB   TYR 349          2HB       TYR 349 -19.097  -5.777  -1.687
  581    HD1  TYR 349           HD1      TYR 349 -20.753  -6.878  -4.819
  582    HD2  TYR 349           HD2      TYR 349 -17.155  -6.790  -2.550
  583    HE1  TYR 349           HE1      TYR 349 -19.518  -7.754  -6.756
  584    HE2  TYR 349           HE2      TYR 349 -15.909  -7.665  -4.481
  585    HH   TYR 349           HH       TYR 349 -17.218  -7.788  -7.612
  586    H    THR 350           H        THR 350 -19.678  -9.438  -2.636
  587    HA   THR 350           HA       THR 350 -18.176 -10.187  -0.214
  588    HB   THR 350           HB       THR 350 -19.794 -11.866  -0.531
  589    HG1  THR 350           HG1      THR 350 -17.445 -12.527  -0.442
  590   1HG2  THR 350          1HG2      THR 350 -20.112 -13.021  -2.715
  591   2HG2  THR 350          2HG2      THR 350 -19.049 -11.823  -3.455
  592   3HG2  THR 350          3HG2      THR 350 -20.581 -11.321  -2.739
  593    HA   PRO 351           HA       PRO 351 -14.934  -9.585  -3.411
  594   1HB   PRO 351          1HB       PRO 351 -13.261  -8.083  -1.959
  595   2HB   PRO 351          2HB       PRO 351 -14.696  -7.388  -2.722
  596   1HG   PRO 351          1HG       PRO 351 -14.244  -8.150   0.127
  597   2HG   PRO 351          2HG       PRO 351 -15.116  -6.759  -0.538
  598   1HD   PRO 351          1HD       PRO 351 -16.295  -9.097   0.390
  599   2HD   PRO 351          2HD       PRO 351 -17.062  -7.931  -0.705
  600    H    ALA 352           H        ALA 352 -12.649 -10.227  -3.397
  601    HA   ALA 352           HA       ALA 352 -12.200 -12.430  -1.520
  602   1HB   ALA 352          1HB       ALA 352 -10.828 -11.809  -4.133
  603   2HB   ALA 352          2HB       ALA 352 -12.136 -12.969  -3.902
  604   3HB   ALA 352          3HB       ALA 352 -10.568 -13.244  -3.141
  605    H    LEU 353           H        LEU 353 -11.011  -9.315  -2.397
  606    HA   LEU 353           HA       LEU 353  -8.500  -9.688  -0.961
  607   1HB   LEU 353          1HB       LEU 353  -9.621  -7.556  -2.734
  608   2HB   LEU 353          2HB       LEU 353  -8.308  -7.163  -1.643
  609    HG   LEU 353           HG       LEU 353  -7.506  -7.684  -3.902
  610   1HD1  LEU 353          1HD1      LEU 353  -6.727  -9.712  -1.815
  611   2HD1  LEU 353          2HD1      LEU 353  -6.037  -8.102  -2.024
  612   3HD1  LEU 353          3HD1      LEU 353  -5.801  -9.332  -3.267
  613   1HD2  LEU 353          1HD2      LEU 353  -9.272  -9.282  -4.520
  614   2HD2  LEU 353          2HD2      LEU 353  -8.584 -10.455  -3.397
  615   3HD2  LEU 353          3HD2      LEU 353  -7.656  -9.930  -4.801
  616    H    THR 354           H        THR 354  -8.294  -9.219   1.116
  617    HA   THR 354           HA       THR 354 -10.030  -7.163   2.300
  618    HB   THR 354           HB       THR 354 -10.322  -8.513   4.321
  619    HG1  THR 354           HG1      THR 354  -9.403 -10.824   3.034
  620   1HG2  THR 354          1HG2      THR 354 -11.147  -9.993   1.820
  621   2HG2  THR 354          2HG2      THR 354 -12.028  -8.662   2.571
  622   3HG2  THR 354          3HG2      THR 354 -11.857 -10.198   3.421
  623    H    GLU 355           H        GLU 355  -9.189  -6.856   4.726
  624    HA   GLU 355           HA       GLU 355  -6.653  -5.672   4.528
  625   1HB   GLU 355          1HB       GLU 355  -8.187  -6.471   7.009
  626   2HB   GLU 355          2HB       GLU 355  -6.819  -5.367   6.972
  627   1HG   GLU 355          1HG       GLU 355  -8.082  -3.813   5.601
  628   2HG   GLU 355          2HG       GLU 355  -9.446  -4.931   5.568
  629    H    GLN 356           H        GLN 356  -7.673  -8.672   6.145
  630    HA   GLN 356           HA       GLN 356  -5.099  -9.414   7.037
  631   1HB   GLN 356          1HB       GLN 356  -7.125 -10.369   8.009
  632   2HB   GLN 356          2HB       GLN 356  -7.528 -11.125   6.474
  633   1HG   GLN 356          1HG       GLN 356  -6.591 -12.731   8.036
  634   2HG   GLN 356          2HG       GLN 356  -5.555 -12.532   6.624
  635   1HE2  GLN 356          1HE2      GLN 356  -5.907 -11.955  10.031
  636   2HE2  GLN 356          2HE2      GLN 356  -4.258 -11.540  10.339
  637    H    GLU 357           H        GLU 357  -6.866  -9.994   4.060
  638    HA   GLU 357           HA       GLU 357  -5.257 -11.984   2.948
  639   1HB   GLU 357          1HB       GLU 357  -7.421 -11.295   2.000
  640   2HB   GLU 357          2HB       GLU 357  -6.724  -9.752   1.530
  641   1HG   GLU 357          1HG       GLU 357  -6.853 -11.207  -0.379
  642   2HG   GLU 357          2HG       GLU 357  -5.164 -10.926   0.042
  643    H    VAL 358           H        VAL 358  -5.084  -8.456   2.440
  644    HA   VAL 358           HA       VAL 358  -2.764  -8.444   0.893
  645    HB   VAL 358           HB       VAL 358  -3.864  -6.338   2.757
  646   1HG1  VAL 358          1HG1      VAL 358  -2.388  -4.764   1.478
  647   2HG1  VAL 358          2HG1      VAL 358  -1.553  -6.175   0.830
  648   3HG1  VAL 358          3HG1      VAL 358  -1.535  -5.861   2.564
  649   1HG2  VAL 358          1HG2      VAL 358  -5.277  -6.890   0.848
  650   2HG2  VAL 358          2HG2      VAL 358  -3.919  -6.621  -0.246
  651   3HG2  VAL 358          3HG2      VAL 358  -4.591  -5.274   0.674
  652    H    TYR 359           H        TYR 359  -3.122  -8.027   4.417
  653    HA   TYR 359           HA       TYR 359  -0.476  -7.651   5.096
  654   1HB   TYR 359          1HB       TYR 359  -2.334  -7.494   6.701
  655   2HB   TYR 359          2HB       TYR 359  -2.544  -9.241   6.634
  656    HD1  TYR 359           HD1      TYR 359  -1.070 -10.713   7.830
  657    HD2  TYR 359           HD2      TYR 359  -0.365  -6.518   7.810
  658    HE1  TYR 359           HE1      TYR 359   0.543 -10.983   9.666
  659    HE2  TYR 359           HE2      TYR 359   1.250  -6.775   9.647
  660    HH   TYR 359           HH       TYR 359   1.726  -8.379  11.469
  661    H    ALA 360           H        ALA 360  -2.166 -10.667   4.403
  662    HA   ALA 360           HA       ALA 360  -0.083 -12.416   5.184
  663   1HB   ALA 360          1HB       ALA 360  -2.323 -12.871   3.217
  664   2HB   ALA 360          2HB       ALA 360  -2.389 -13.168   4.954
  665   3HB   ALA 360          3HB       ALA 360  -1.311 -14.123   3.936
  666    H    GLN 361           H        GLN 361  -1.129 -11.380   1.928
  667    HA   GLN 361           HA       GLN 361   0.903 -12.632   0.494
  668   1HB   GLN 361          1HB       GLN 361  -0.562 -10.067  -0.152
  669   2HB   GLN 361          2HB       GLN 361   0.407 -10.988  -1.295
  670   1HG   GLN 361          1HG       GLN 361  -1.106 -12.908  -0.985
  671   2HG   GLN 361          2HG       GLN 361  -2.101 -11.921   0.084
  672   1HE2  GLN 361          1HE2      GLN 361  -3.352 -10.276  -0.778
  673   2HE2  GLN 361          2HE2      GLN 361  -3.681 -10.153  -2.470
  674    H    VAL 362           H        VAL 362   0.771  -9.263   1.642
  675    HA   VAL 362           HA       VAL 362   3.282  -8.466   0.741
  676    HB   VAL 362           HB       VAL 362   1.907  -7.498   3.253
  677   1HG1  VAL 362          1HG1      VAL 362   4.236  -6.796   3.071
  678   2HG1  VAL 362          2HG1      VAL 362   3.146  -5.428   2.848
  679   3HG1  VAL 362          3HG1      VAL 362   3.928  -6.169   1.452
  680   1HG2  VAL 362          1HG2      VAL 362   0.448  -7.417   1.246
  681   2HG2  VAL 362          2HG2      VAL 362   1.661  -6.416   0.448
  682   3HG2  VAL 362          3HG2      VAL 362   0.838  -5.824   1.892
  683    H    ALA 363           H        ALA 363   2.319 -10.120   3.705
  684    HA   ALA 363           HA       ALA 363   4.786  -9.966   5.052
  685   1HB   ALA 363          1HB       ALA 363   2.696 -10.613   6.157
  686   2HB   ALA 363          2HB       ALA 363   3.962 -11.813   6.414
  687   3HB   ALA 363          3HB       ALA 363   2.680 -12.121   5.242
  688    H    ARG 364           H        ARG 364   3.494 -12.300   2.738
  689    HA   ARG 364           HA       ARG 364   5.573 -14.187   2.924
  690   1HB   ARG 364          1HB       ARG 364   3.455 -14.740   1.871
  691   2HB   ARG 364          2HB       ARG 364   3.730 -13.537   0.617
  692   1HG   ARG 364          1HG       ARG 364   5.699 -14.826  -0.136
  693   2HG   ARG 364          2HG       ARG 364   5.314 -16.060   1.067
  694   1HD   ARG 364          1HD       ARG 364   4.480 -16.653  -1.165
  695   2HD   ARG 364          2HD       ARG 364   3.173 -16.464   0.003
  696    HE   ARG 364           HE       ARG 364   3.541 -14.019  -1.297
  697   1HH1  ARG 364          1HH1      ARG 364   2.481 -17.260  -2.022
  698   2HH1  ARG 364          2HH1      ARG 364   1.418 -16.762  -3.297
  699   1HH2  ARG 364          1HH2      ARG 364   2.146 -13.360  -2.972
  700   2HH2  ARG 364          2HH2      ARG 364   1.229 -14.547  -3.837
  701    H    LEU 365           H        LEU 365   5.097 -11.417   0.752
  702    HA   LEU 365           HA       LEU 365   7.390 -11.796  -0.816
  703   1HB   LEU 365          1HB       LEU 365   5.962  -9.240  -0.079
  704   2HB   LEU 365          2HB       LEU 365   7.195  -9.362  -1.319
  705    HG   LEU 365           HG       LEU 365   4.520 -10.765  -1.364
  706   1HD1  LEU 365          1HD1      LEU 365   5.561  -8.394  -2.906
  707   2HD1  LEU 365          2HD1      LEU 365   4.272  -8.387  -1.702
  708   3HD1  LEU 365          3HD1      LEU 365   4.044  -9.232  -3.233
  709   1HD2  LEU 365          1HD2      LEU 365   5.141 -11.328  -3.686
  710   2HD2  LEU 365          2HD2      LEU 365   6.199 -12.085  -2.497
  711   3HD2  LEU 365          3HD2      LEU 365   6.751 -10.670  -3.394
  712    H    PHE 366           H        PHE 366   6.928  -9.634   1.987
  713    HA   PHE 366           HA       PHE 366   9.818  -9.284   2.191
  714   1HB   PHE 366          1HB       PHE 366   7.621  -8.042   3.861
  715   2HB   PHE 366          2HB       PHE 366   9.316  -7.568   3.841
  716    HD1  PHE 366           HD1      PHE 366  10.217  -6.952   1.414
  717    HD2  PHE 366           HD2      PHE 366   6.147  -6.787   2.644
  718    HE1  PHE 366           HE1      PHE 366   9.745  -5.337  -0.381
  719    HE2  PHE 366           HE2      PHE 366   5.666  -5.173   0.850
  720    HZ   PHE 366           HZ       PHE 366   7.466  -4.446  -0.666
  721    H    LYS 367           H        LYS 367   8.888 -11.883   2.713
  722    HA   LYS 367           HA       LYS 367   8.386 -12.508   5.374
  723   1HB   LYS 367          1HB       LYS 367   8.277 -14.086   3.433
  724   2HB   LYS 367          2HB       LYS 367  10.033 -14.155   3.449
  725   1HG   LYS 367          1HG       LYS 367   9.165 -16.082   4.572
  726   2HG   LYS 367          2HG       LYS 367   9.935 -15.030   5.761
  727   1HD   LYS 367          1HD       LYS 367   7.763 -14.163   6.432
  728   2HD   LYS 367          2HD       LYS 367   6.972 -15.151   5.203
  729   1HE   LYS 367          1HE       LYS 367   7.771 -17.176   6.318
  730   2HE   LYS 367          2HE       LYS 367   8.565 -16.190   7.545
  731   1HZ   LYS 367          1HZ       LYS 367   5.643 -16.267   7.019
  732   2HZ   LYS 367          2HZ       LYS 367   6.406 -15.333   8.205
  733   3HZ   LYS 367          3HZ       LYS 367   6.430 -17.020   8.313
  734    H    ASN 368           H        ASN 368  11.265 -11.384   3.889
  735    HA   ASN 368           HA       ASN 368  12.969 -12.260   6.080
  736   1HB   ASN 368          1HB       ASN 368  13.859 -12.363   3.796
  737   2HB   ASN 368          2HB       ASN 368  13.614 -10.628   3.615
  738   1HD2  ASN 368          1HD2      ASN 368  15.789 -10.271   3.215
  739   2HD2  ASN 368          2HD2      ASN 368  16.981 -10.355   4.462
  740    H    GLN 369           H        GLN 369  11.679  -9.271   4.699
  741    HA   GLN 369           HA       GLN 369  12.725  -7.783   7.003
  742   1HB   GLN 369          1HB       GLN 369  11.543  -6.695   4.443
  743   2HB   GLN 369          2HB       GLN 369  12.344  -5.769   5.705
  744   1HG   GLN 369          1HG       GLN 369  13.639  -7.859   3.970
  745   2HG   GLN 369          2HG       GLN 369  13.787  -6.114   3.774
  746   1HE2  GLN 369          1HE2      GLN 369  15.825  -8.164   4.279
  747   2HE2  GLN 369          2HE2      GLN 369  16.642  -7.669   5.718
  748    H    GLU 370           H        GLU 370  11.182  -8.417   8.523
  749    HA   GLU 370           HA       GLU 370   8.371  -8.097   8.031
  750   1HB   GLU 370          1HB       GLU 370   9.894  -8.557  10.604
  751   2HB   GLU 370          2HB       GLU 370   8.144  -8.618  10.445
  752   1HG   GLU 370          1HG       GLU 370  10.081 -10.419   9.010
  753   2HG   GLU 370          2HG       GLU 370   9.174 -10.842  10.461
  754    H    ASP 371           H        ASP 371  10.937  -6.110   9.237
  755    HA   ASP 371           HA       ASP 371   9.543  -4.267  10.784
  756   1HB   ASP 371          1HB       ASP 371  11.353  -2.673  10.197
  757   2HB   ASP 371          2HB       ASP 371  11.969  -4.252  10.674
  758    H    LEU 372           H        LEU 372   9.946  -4.470   7.287
  759    HA   LEU 372           HA       LEU 372   8.743  -2.008   6.631
  760   1HB   LEU 372          1HB       LEU 372   9.480  -4.481   5.217
  761   2HB   LEU 372          2HB       LEU 372   8.142  -3.605   4.500
  762    HG   LEU 372           HG       LEU 372   9.546  -1.599   4.315
  763   1HD1  LEU 372          1HD1      LEU 372  11.954  -1.753   4.736
  764   2HD1  LEU 372          2HD1      LEU 372  11.727  -3.366   5.412
  765   3HD1  LEU 372          3HD1      LEU 372  11.014  -1.965   6.212
  766   1HD2  LEU 372          1HD2      LEU 372  11.028  -2.416   2.557
  767   2HD2  LEU 372          2HD2      LEU 372   9.440  -3.175   2.455
  768   3HD2  LEU 372          3HD2      LEU 372  10.802  -4.070   3.129
  769    H    LEU 373           H        LEU 373   7.424  -5.285   6.935
  770    HA   LEU 373           HA       LEU 373   4.789  -4.711   6.201
  771   1HB   LEU 373          1HB       LEU 373   5.833  -6.993   6.545
  772   2HB   LEU 373          2HB       LEU 373   5.626  -6.743   8.268
  773    HG   LEU 373           HG       LEU 373   3.186  -6.564   7.938
  774   1HD1  LEU 373          1HD1      LEU 373   3.825  -7.285   5.082
  775   2HD1  LEU 373          2HD1      LEU 373   3.160  -5.754   5.647
  776   3HD1  LEU 373          3HD1      LEU 373   2.212  -7.234   5.793
  777   1HD2  LEU 373          1HD2      LEU 373   4.461  -9.067   6.848
  778   2HD2  LEU 373          2HD2      LEU 373   2.799  -8.938   7.423
  779   3HD2  LEU 373          3HD2      LEU 373   4.141  -8.702   8.544
  780    H    SER 374           H        SER 374   6.507  -4.308   9.223
  781    HA   SER 374           HA       SER 374   4.263  -3.810  10.873
  782   1HB   SER 374          1HB       SER 374   7.122  -2.854  11.172
  783   2HB   SER 374          2HB       SER 374   5.896  -2.820  12.438
  784    HG   SER 374           HG       SER 374   6.866  -4.696  12.824
  785    H    GLU 375           H        GLU 375   6.514  -1.638   9.179
  786    HA   GLU 375           HA       GLU 375   5.359   0.783   9.938
  787   1HB   GLU 375          1HB       GLU 375   6.756   0.073   7.350
  788   2HB   GLU 375          2HB       GLU 375   6.409   1.712   7.885
  789   1HG   GLU 375          1HG       GLU 375   8.177  -0.266   9.306
  790   2HG   GLU 375          2HG       GLU 375   8.724   1.086   8.317
  791    H    PHE 376           H        PHE 376   4.512  -1.483   7.402
  792    HA   PHE 376           HA       PHE 376   2.548   0.209   6.183
  793   1HB   PHE 376          1HB       PHE 376   3.658  -1.544   4.889
  794   2HB   PHE 376          2HB       PHE 376   3.009  -2.776   5.966
  795    HD1  PHE 376           HD1      PHE 376   1.062  -3.856   5.388
  796    HD2  PHE 376           HD2      PHE 376   1.885  -0.035   3.705
  797    HE1  PHE 376           HE1      PHE 376  -0.928  -4.063   3.955
  798    HE2  PHE 376           HE2      PHE 376  -0.104  -0.234   2.270
  799    HZ   PHE 376           HZ       PHE 376  -1.513  -2.251   2.394
  800    H    GLY 377           H        GLY 377   2.610  -2.142   8.748
  801   1HA   GLY 377          1HA       GLY 377  -0.204  -2.582   8.890
  802   2HA   GLY 377          2HA       GLY 377   0.972  -2.969  10.137
  803    H    GLN 378           H        GLN 378   1.970  -0.213  10.273
  804    HA   GLN 378           HA       GLN 378   0.412   0.763  12.353
  805   1HB   GLN 378          1HB       GLN 378   2.280   2.254  10.503
  806   2HB   GLN 378          2HB       GLN 378   1.619   2.924  11.988
  807   1HG   GLN 378          1HG       GLN 378   2.715   1.118  13.255
  808   2HG   GLN 378          2HG       GLN 378   3.429   0.530  11.754
  809   1HE2  GLN 378          1HE2      GLN 378   3.440   3.053  14.144
  810   2HE2  GLN 378          2HE2      GLN 378   4.934   3.776  13.668
  811    H    PHE 379           H        PHE 379   0.234   1.401   8.901
  812    HA   PHE 379           HA       PHE 379  -1.573   3.561   9.002
  813   1HB   PHE 379          1HB       PHE 379  -1.071   1.505   6.843
  814   2HB   PHE 379          2HB       PHE 379  -2.079   2.932   6.628
  815    HD1  PHE 379           HD1      PHE 379   1.324   1.668   6.913
  816    HD2  PHE 379           HD2      PHE 379  -1.088   5.157   6.564
  817    HE1  PHE 379           HE1      PHE 379   3.313   2.976   6.293
  818    HE2  PHE 379           HE2      PHE 379   0.898   6.472   5.942
  819    HZ   PHE 379           HZ       PHE 379   3.101   5.382   5.806
  820    H    LEU 380           H        LEU 380  -2.161   0.108   8.344
  821    HA   LEU 380           HA       LEU 380  -4.944   0.235   8.248
  822   1HB   LEU 380          1HB       LEU 380  -3.279  -2.081   9.235
  823   2HB   LEU 380          2HB       LEU 380  -4.918  -2.165   8.619
  824    HG   LEU 380           HG       LEU 380  -2.482  -1.401   7.008
  825   1HD1  LEU 380          1HD1      LEU 380  -2.813  -3.547   5.896
  826   2HD1  LEU 380          2HD1      LEU 380  -4.143  -3.916   6.995
  827   3HD1  LEU 380          3HD1      LEU 380  -2.501  -3.762   7.619
  828   1HD2  LEU 380          1HD2      LEU 380  -5.359  -1.793   6.193
  829   2HD2  LEU 380          2HD2      LEU 380  -4.009  -1.568   5.083
  830   3HD2  LEU 380          3HD2      LEU 380  -4.465  -0.273   6.191
  831    HA   PRO 381           HA       PRO 381  -6.386   0.800  12.380
  832   1HB   PRO 381          1HB       PRO 381  -8.262  -1.455  12.002
  833   2HB   PRO 381          2HB       PRO 381  -8.600   0.242  12.354
  834   1HG   PRO 381          1HG       PRO 381  -9.086  -0.791   9.938
  835   2HG   PRO 381          2HG       PRO 381  -8.482   0.865  10.128
  836   1HD   PRO 381          1HD       PRO 381  -7.000  -1.616   9.344
  837   2HD   PRO 381          2HD       PRO 381  -6.856   0.035   8.703
  838    H    ASP 382           H        ASP 382  -7.442  -0.956  14.182
  839    HA   ASP 382           HA       ASP 382  -5.120  -2.264  15.176
  840   1HB   ASP 382          1HB       ASP 382  -6.600  -3.017  17.004
  841   2HB   ASP 382          2HB       ASP 382  -6.760  -1.291  16.692
  842    H    ALA 383           H        ALA 383  -7.199  -3.166  12.790
  843    HA   ALA 383           HA       ALA 383  -7.448  -5.965  13.411
  844   1HB   ALA 383          1HB       ALA 383  -7.934  -4.544  10.794
  845   2HB   ALA 383          2HB       ALA 383  -9.134  -4.770  12.068
  846   3HB   ALA 383          3HB       ALA 383  -8.468  -6.169  11.225
  Start of MODEL    5
    1   1H    ARG   6          1H        ARG   6  -8.670   8.135   1.228
    2   2H    ARG   6          2H        ARG   6  -7.051   7.897   0.796
    3   3H    ARG   6          3H        ARG   6  -7.514   9.316   1.594
    4    HA   ARG   6           HA       ARG   6  -8.135   8.035   3.547
    5   1HB   ARG   6          1HB       ARG   6  -7.008   5.748   1.923
    6   2HB   ARG   6          2HB       ARG   6  -7.347   5.663   3.646
    7   1HG   ARG   6          1HG       ARG   6  -9.716   6.129   3.186
    8   2HG   ARG   6          2HG       ARG   6  -9.357   6.146   1.458
    9   1HD   ARG   6          1HD       ARG   6  -8.637   3.835   1.555
   10   2HD   ARG   6          2HD       ARG   6  -8.889   3.805   3.299
   11    HE   ARG   6           HE       ARG   6 -11.278   4.536   1.980
   12   1HH1  ARG   6          1HH1      ARG   6  -9.222   1.788   2.576
   13   2HH1  ARG   6          2HH1      ARG   6 -10.509   0.635   2.448
   14   1HH2  ARG   6          1HH2      ARG   6 -12.978   3.025   1.809
   15   2HH2  ARG   6          2HH2      ARG   6 -12.643   1.337   2.008
   16    H    MET   7           H        MET   7  -6.264   6.671   4.855
   17    HA   MET   7           HA       MET   7  -3.713   8.027   4.293
   18   1HB   MET   7          1HB       MET   7  -3.442   8.376   6.740
   19   2HB   MET   7          2HB       MET   7  -4.778   9.288   6.053
   20   1HG   MET   7          1HG       MET   7  -6.362   7.669   6.905
   21   2HG   MET   7          2HG       MET   7  -5.045   6.682   7.532
   22   1HE   MET   7          1HE       MET   7  -3.525   7.362   9.596
   23   2HE   MET   7          2HE       MET   7  -3.580   8.952  10.354
   24   3HE   MET   7          3HE       MET   7  -3.041   8.791   8.683
   25    H    ASN   8           H        ASN   8  -4.731   5.259   3.868
   26    HA   ASN   8           HA       ASN   8  -2.638   3.872   5.395
   27   1HB   ASN   8          1HB       ASN   8  -4.178   1.851   5.370
   28   2HB   ASN   8          2HB       ASN   8  -4.646   3.170   6.438
   29   1HD2  ASN   8          1HD2      ASN   8  -6.315   4.613   5.714
   30   2HD2  ASN   8          2HD2      ASN   8  -7.537   4.039   4.637
   31    H    ILE   9           H        ILE   9  -4.888   3.243   2.689
   32    HA   ILE   9           HA       ILE   9  -2.666   1.949   1.265
   33    HB   ILE   9           HB       ILE   9  -5.636   1.760   0.752
   34   1HG1  ILE   9          1HG1      ILE   9  -4.901   0.643   2.836
   35   2HG1  ILE   9          2HG1      ILE   9  -5.469  -0.505   1.630
   36   1HG2  ILE   9          1HG2      ILE   9  -5.018  -0.072  -0.789
   37   2HG2  ILE   9          2HG2      ILE   9  -3.320   0.339  -0.552
   38   3HG2  ILE   9          3HG2      ILE   9  -4.412   1.501  -1.305
   39   1HD1  ILE   9          1HD1      ILE   9  -2.601   0.100   2.313
   40   2HD1  ILE   9          2HD1      ILE   9  -3.135  -1.006   1.048
   41   3HD1  ILE   9          3HD1      ILE   9  -3.505  -1.353   2.736
   42    H    GLN  10           H        GLN  10  -5.283   4.299   0.827
   43    HA   GLN  10           HA       GLN  10  -4.687   4.948  -1.853
   44   1HB   GLN  10          1HB       GLN  10  -6.846   5.475  -0.918
   45   2HB   GLN  10          2HB       GLN  10  -6.115   6.511   0.299
   46   1HG   GLN  10          1HG       GLN  10  -7.136   7.823  -1.464
   47   2HG   GLN  10          2HG       GLN  10  -5.390   8.058  -1.437
   48   1HE2  GLN  10          1HE2      GLN  10  -6.922   5.199  -2.726
   49   2HE2  GLN  10          2HE2      GLN  10  -6.532   5.498  -4.382
   50    H    MET  11           H        MET  11  -3.717   6.460   1.208
   51    HA   MET  11           HA       MET  11  -2.332   8.634   0.081
   52   1HB   MET  11          1HB       MET  11  -3.003   8.621   2.413
   53   2HB   MET  11          2HB       MET  11  -1.957   7.246   2.737
   54   1HG   MET  11          1HG       MET  11   0.003   8.598   2.263
   55   2HG   MET  11          2HG       MET  11  -1.025   9.977   1.879
   56   1HE   MET  11          1HE       MET  11  -2.440  11.323   3.662
   57   2HE   MET  11          2HE       MET  11  -2.616  10.824   5.344
   58   3HE   MET  11          3HE       MET  11  -3.288   9.827   4.053
   59    H    LEU  12           H        LEU  12  -1.152   5.476   1.214
   60    HA   LEU  12           HA       LEU  12   1.562   5.954   0.612
   61   1HB   LEU  12          1HB       LEU  12   1.345   4.240   2.088
   62   2HB   LEU  12          2HB       LEU  12  -0.119   3.630   1.343
   63    HG   LEU  12           HG       LEU  12   1.321   2.726  -0.510
   64   1HD1  LEU  12          1HD1      LEU  12   3.269   4.146  -0.154
   65   2HD1  LEU  12          2HD1      LEU  12   3.702   2.441  -0.038
   66   3HD1  LEU  12          3HD1      LEU  12   3.529   3.408   1.427
   67   1HD2  LEU  12          1HD2      LEU  12   0.464   1.246   1.166
   68   2HD2  LEU  12          2HD2      LEU  12   1.711   1.741   2.310
   69   3HD2  LEU  12          3HD2      LEU  12   2.149   0.823   0.870
   70    H    LEU  13           H        LEU  13  -1.055   4.417  -1.221
   71    HA   LEU  13           HA       LEU  13   0.556   3.605  -3.397
   72   1HB   LEU  13          1HB       LEU  13  -1.464   2.472  -3.230
   73   2HB   LEU  13          2HB       LEU  13  -2.374   3.934  -2.903
   74    HG   LEU  13           HG       LEU  13  -2.021   4.606  -5.272
   75   1HD1  LEU  13          1HD1      LEU  13  -1.354   2.866  -6.875
   76   2HD1  LEU  13          2HD1      LEU  13  -0.965   1.793  -5.530
   77   3HD1  LEU  13          3HD1      LEU  13  -0.048   3.281  -5.764
   78   1HD2  LEU  13          1HD2      LEU  13  -3.682   3.016  -6.180
   79   2HD2  LEU  13          2HD2      LEU  13  -4.115   3.627  -4.582
   80   3HD2  LEU  13          3HD2      LEU  13  -3.450   2.002  -4.755
   81    H    GLU  14           H        GLU  14  -1.104   6.556  -2.546
   82    HA   GLU  14           HA       GLU  14  -0.992   7.807  -5.085
   83   1HB   GLU  14          1HB       GLU  14  -2.483   8.613  -3.324
   84   2HB   GLU  14          2HB       GLU  14  -1.102   9.015  -2.313
   85   1HG   GLU  14          1HG       GLU  14  -2.012  11.004  -3.334
   86   2HG   GLU  14          2HG       GLU  14  -0.392  10.685  -3.950
   87    H    ALA  15           H        ALA  15   1.134   7.846  -2.256
   88    HA   ALA  15           HA       ALA  15   3.022   9.681  -3.211
   89   1HB   ALA  15          1HB       ALA  15   2.923   8.955  -0.876
   90   2HB   ALA  15          2HB       ALA  15   4.537   8.729  -1.550
   91   3HB   ALA  15          3HB       ALA  15   3.462   7.344  -1.352
   92    H    ALA  16           H        ALA  16   2.853   6.148  -3.487
   93    HA   ALA  16           HA       ALA  16   5.277   5.795  -4.868
   94   1HB   ALA  16          1HB       ALA  16   4.060   3.951  -3.814
   95   2HB   ALA  16          2HB       ALA  16   4.400   3.614  -5.511
   96   3HB   ALA  16          3HB       ALA  16   2.780   4.109  -5.017
   97    H    ASP  17           H        ASP  17   2.001   6.458  -5.990
   98    HA   ASP  17           HA       ASP  17   2.591   6.219  -8.763
   99   1HB   ASP  17          1HB       ASP  17   0.301   6.008  -7.950
  100   2HB   ASP  17          2HB       ASP  17   0.341   7.660  -7.340
  101    H    TYR  18           H        TYR  18   2.975   8.709  -6.404
  102    HA   TYR  18           HA       TYR  18   3.123  10.925  -8.177
  103   1HB   TYR  18          1HB       TYR  18   2.677  11.301  -5.833
  104   2HB   TYR  18          2HB       TYR  18   4.184  10.518  -5.374
  105    HD1  TYR  18           HD1      TYR  18   6.303  11.682  -5.568
  106    HD2  TYR  18           HD2      TYR  18   2.671  13.556  -6.759
  107    HE1  TYR  18           HE1      TYR  18   7.448  13.859  -5.623
  108    HE2  TYR  18           HE2      TYR  18   3.808  15.734  -6.821
  109    HH   TYR  18           HH       TYR  18   7.159  16.063  -6.745
  110    H    LEU  19           H        LEU  19   5.665   9.127  -6.436
  111    HA   LEU  19           HA       LEU  19   7.830  10.370  -7.731
  112   1HB   LEU  19          1HB       LEU  19   7.767   7.586  -6.576
  113   2HB   LEU  19          2HB       LEU  19   9.187   8.577  -6.845
  114    HG   LEU  19           HG       LEU  19   6.988   9.233  -4.890
  115   1HD1  LEU  19          1HD1      LEU  19   8.587   8.591  -3.164
  116   2HD1  LEU  19          2HD1      LEU  19   9.740   8.099  -4.404
  117   3HD1  LEU  19          3HD1      LEU  19   8.216   7.230  -4.221
  118   1HD2  LEU  19          1HD2      LEU  19   9.712  10.464  -5.298
  119   2HD2  LEU  19          2HD2      LEU  19   8.535  10.920  -4.068
  120   3HD2  LEU  19          3HD2      LEU  19   8.176  11.190  -5.773
  121    H    GLU  20           H        GLU  20   6.326   7.199  -8.312
  122    HA   GLU  20           HA       GLU  20   7.871   6.432 -10.495
  123   1HB   GLU  20          1HB       GLU  20   6.313   4.933  -9.310
  124   2HB   GLU  20          2HB       GLU  20   4.954   5.815  -9.990
  125   1HG   GLU  20          1HG       GLU  20   5.640   5.144 -12.235
  126   2HG   GLU  20          2HG       GLU  20   7.001   4.255 -11.551
  127    H    ARG  21           H        ARG  21   4.599   7.847 -10.617
  128    HA   ARG  21           HA       ARG  21   3.487   8.965 -12.260
  129   1HB   ARG  21          1HB       ARG  21   5.067  10.703 -11.512
  130   2HB   ARG  21          2HB       ARG  21   6.229  10.155 -12.713
  131   1HG   ARG  21          1HG       ARG  21   4.742  10.802 -14.504
  132   2HG   ARG  21          2HG       ARG  21   3.498  11.259 -13.337
  133   1HD   ARG  21          1HD       ARG  21   6.227  12.519 -13.574
  134   2HD   ARG  21          2HD       ARG  21   4.727  13.205 -14.197
  135    HE   ARG  21           HE       ARG  21   4.385  12.698 -11.472
  136   1HH1  ARG  21          1HH1      ARG  21   6.268  14.767 -13.553
  137   2HH1  ARG  21          2HH1      ARG  21   6.380  16.048 -12.392
  138   1HH2  ARG  21          1HH2      ARG  21   4.526  14.380  -9.939
  139   2HH2  ARG  21          2HH2      ARG  21   5.389  15.830 -10.339
  140   1H    SER 295          1H        SER 295 -10.020  19.028  -2.303
  141   2H    SER 295          2H        SER 295 -10.230  19.834  -0.832
  142   3H    SER 295          3H        SER 295 -11.481  18.886  -1.462
  143    HA   SER 295           HA       SER 295 -10.316  17.793   0.371
  144   1HB   SER 295          1HB       SER 295 -11.436  16.451  -1.359
  145   2HB   SER 295          2HB       SER 295  -9.970  16.482  -2.339
  146    HG   SER 295           HG       SER 295  -8.916  15.393  -0.586
  147    H    LEU 296           H        LEU 296  -8.458  17.452   1.406
  148    HA   LEU 296           HA       LEU 296  -6.245  17.429   1.914
  149   1HB   LEU 296          1HB       LEU 296  -5.961  16.738  -1.012
  150   2HB   LEU 296          2HB       LEU 296  -4.670  16.636   0.171
  151    HG   LEU 296           HG       LEU 296  -7.229  15.046   0.342
  152   1HD1  LEU 296          1HD1      LEU 296  -5.992  14.398  -1.647
  153   2HD1  LEU 296          2HD1      LEU 296  -5.887  13.142  -0.415
  154   3HD1  LEU 296          3HD1      LEU 296  -4.519  14.220  -0.693
  155   1HD2  LEU 296          1HD2      LEU 296  -5.997  13.731   1.984
  156   2HD2  LEU 296          2HD2      LEU 296  -6.097  15.421   2.478
  157   3HD2  LEU 296          3HD2      LEU 296  -4.599  14.789   1.796
  158    H    GLN 297           H        GLN 297  -5.462  19.340   2.476
  159    HA   GLN 297           HA       GLN 297  -5.162  21.447   0.473
  160   1HB   GLN 297          1HB       GLN 297  -6.271  21.970   2.625
  161   2HB   GLN 297          2HB       GLN 297  -4.787  21.556   3.472
  162   1HG   GLN 297          1HG       GLN 297  -3.626  23.374   2.304
  163   2HG   GLN 297          2HG       GLN 297  -5.133  23.798   1.493
  164   1HE2  GLN 297          1HE2      GLN 297  -6.738  23.210   3.870
  165   2HE2  GLN 297          2HE2      GLN 297  -6.483  24.532   4.952
  166    H    ASN 298           H        ASN 298  -3.221  22.334  -0.109
  167    HA   ASN 298           HA       ASN 298  -0.851  20.778   0.595
  168   1HB   ASN 298          1HB       ASN 298  -1.317  21.140  -1.789
  169   2HB   ASN 298          2HB       ASN 298  -1.254  22.881  -1.542
  170   1HD2  ASN 298          1HD2      ASN 298   0.881  20.577   0.003
  171   2HD2  ASN 298          2HD2      ASN 298   2.319  21.075  -0.814
  172    H    ASN 299           H        ASN 299   0.359  21.463   2.230
  173    HA   ASN 299           HA       ASN 299   1.225  24.205   2.373
  174   1HB   ASN 299          1HB       ASN 299  -0.901  24.386   3.559
  175   2HB   ASN 299          2HB       ASN 299  -0.452  23.045   4.609
  176   1HD2  ASN 299          1HD2      ASN 299  -0.645  24.283   6.458
  177   2HD2  ASN 299          2HD2      ASN 299   0.502  25.504   6.881
  178    H    GLN 300           H        GLN 300   0.928  21.530   4.714
  179    HA   GLN 300           HA       GLN 300   3.745  20.942   4.549
  180   1HB   GLN 300          1HB       GLN 300   4.105  21.368   7.008
  181   2HB   GLN 300          2HB       GLN 300   3.935  22.808   6.015
  182   1HG   GLN 300          1HG       GLN 300   1.623  23.022   6.703
  183   2HG   GLN 300          2HG       GLN 300   1.780  21.589   7.715
  184   1HE2  GLN 300          1HE2      GLN 300   4.514  22.299   8.506
  185   2HE2  GLN 300          2HE2      GLN 300   4.355  23.578   9.657
  186    HA   PRO 301           HA       PRO 301   0.917  17.489   5.952
  187   1HB   PRO 301          1HB       PRO 301   1.169  15.879   3.810
  188   2HB   PRO 301          2HB       PRO 301  -0.003  17.203   3.854
  189   1HG   PRO 301          1HG       PRO 301   2.687  17.096   2.549
  190   2HG   PRO 301          2HG       PRO 301   1.169  17.772   1.931
  191   1HD   PRO 301          1HD       PRO 301   3.164  19.281   3.039
  192   2HD   PRO 301          2HD       PRO 301   1.454  19.752   3.057
  193    H    VAL 302           H        VAL 302   2.183  16.622   7.509
  194    HA   VAL 302           HA       VAL 302   4.858  15.755   7.095
  195    HB   VAL 302           HB       VAL 302   2.986  15.020   9.352
  196   1HG1  VAL 302          1HG1      VAL 302   4.929  13.561   9.225
  197   2HG1  VAL 302          2HG1      VAL 302   5.047  14.629  10.624
  198   3HG1  VAL 302          3HG1      VAL 302   5.999  14.963   9.178
  199   1HG2  VAL 302          1HG2      VAL 302   4.011  16.875  10.573
  200   2HG2  VAL 302          2HG2      VAL 302   3.194  17.442   9.116
  201   3HG2  VAL 302          3HG2      VAL 302   4.951  17.300   9.143
  202    H    GLU 303           H        GLU 303   1.733  14.133   7.128
  203    HA   GLU 303           HA       GLU 303   2.719  11.482   7.091
  204   1HB   GLU 303          1HB       GLU 303   0.089  12.553   6.052
  205   2HB   GLU 303          2HB       GLU 303   0.454  10.863   6.367
  206   1HG   GLU 303          1HG       GLU 303   0.733  11.349   8.734
  207   2HG   GLU 303          2HG       GLU 303   0.406  13.054   8.430
  208    H    PHE 304           H        PHE 304   2.034  13.830   4.570
  209    HA   PHE 304           HA       PHE 304   2.181  12.063   2.372
  210   1HB   PHE 304          1HB       PHE 304   1.226  14.361   2.275
  211   2HB   PHE 304          2HB       PHE 304   2.854  15.012   2.427
  212    HD1  PHE 304           HD1      PHE 304   4.175  15.344   0.539
  213    HD2  PHE 304           HD2      PHE 304   0.727  12.864   0.279
  214    HE1  PHE 304           HE1      PHE 304   4.443  15.235  -1.905
  215    HE2  PHE 304           HE2      PHE 304   0.989  12.748  -2.164
  216    HZ   PHE 304           HZ       PHE 304   2.849  13.935  -3.260
  217    H    ASN 305           H        ASN 305   4.617  14.175   3.874
  218    HA   ASN 305           HA       ASN 305   6.742  13.511   2.165
  219   1HB   ASN 305          1HB       ASN 305   6.758  15.451   3.704
  220   2HB   ASN 305          2HB       ASN 305   6.878  14.348   5.072
  221   1HD2  ASN 305          1HD2      ASN 305   8.524  15.734   2.349
  222   2HD2  ASN 305          2HD2      ASN 305  10.118  15.250   2.807
  223    H    HIS 306           H        HIS 306   5.700  12.108   5.247
  224    HA   HIS 306           HA       HIS 306   7.798  10.252   5.513
  225   1HB   HIS 306          1HB       HIS 306   6.218  10.889   7.334
  226   2HB   HIS 306          2HB       HIS 306   4.954   9.977   6.516
  227    HD1  HIS 306           HD1      HIS 306   7.781   9.611   8.830
  228    HD2  HIS 306           HD2      HIS 306   5.413   7.128   6.488
  229    HE1  HIS 306           HE1      HIS 306   8.177   7.286   9.702
  230    HE2  HIS 306           HE2      HIS 306   6.754   5.796   8.252
  231    H    ALA 307           H        ALA 307   4.749  10.153   3.782
  232    HA   ALA 307           HA       ALA 307   4.701   7.397   3.193
  233   1HB   ALA 307          1HB       ALA 307   3.545   9.684   1.600
  234   2HB   ALA 307          2HB       ALA 307   2.749   8.850   2.935
  235   3HB   ALA 307          3HB       ALA 307   3.108   7.982   1.443
  236    H    ILE 308           H        ILE 308   5.854  10.170   1.274
  237    HA   ILE 308           HA       ILE 308   6.797   8.697  -0.912
  238    HB   ILE 308           HB       ILE 308   7.574  11.394   0.174
  239   1HG1  ILE 308          1HG1      ILE 308   6.061  10.494  -2.287
  240   2HG1  ILE 308          2HG1      ILE 308   5.356  11.194  -0.836
  241   1HG2  ILE 308          1HG2      ILE 308   8.852  11.778  -1.887
  242   2HG2  ILE 308          2HG2      ILE 308   8.616  10.091  -2.338
  243   3HG2  ILE 308          3HG2      ILE 308   9.558  10.495  -0.904
  244   1HD1  ILE 308          1HD1      ILE 308   5.462  12.836  -2.593
  245   2HD1  ILE 308          2HD1      ILE 308   7.197  12.576  -2.773
  246   3HD1  ILE 308          3HD1      ILE 308   6.560  13.287  -1.290
  247    H    ASN 309           H        ASN 309   8.323   9.556   2.146
  248    HA   ASN 309           HA       ASN 309  10.938   8.721   1.490
  249   1HB   ASN 309          1HB       ASN 309  10.491  10.151   3.419
  250   2HB   ASN 309          2HB       ASN 309   9.563   8.863   4.183
  251   1HD2  ASN 309          1HD2      ASN 309  10.855   8.758   5.979
  252   2HD2  ASN 309          2HD2      ASN 309  12.466   8.138   5.944
  253    H    TYR 310           H        TYR 310   8.164   7.037   2.871
  254    HA   TYR 310           HA       TYR 310   9.472   4.614   3.485
  255   1HB   TYR 310          1HB       TYR 310   7.287   5.188   4.421
  256   2HB   TYR 310          2HB       TYR 310   6.568   5.142   2.815
  257    HD1  TYR 310           HD1      TYR 310   5.559   3.189   2.081
  258    HD2  TYR 310           HD2      TYR 310   8.414   2.971   5.228
  259    HE1  TYR 310           HE1      TYR 310   5.048   0.802   2.370
  260    HE2  TYR 310           HE2      TYR 310   7.912   0.581   5.526
  261    HH   TYR 310           HH       TYR 310   6.122  -1.214   3.270
  262    H    VAL 311           H        VAL 311   7.434   5.500   0.697
  263    HA   VAL 311           HA       VAL 311   7.786   3.127  -0.744
  264    HB   VAL 311           HB       VAL 311   7.359   5.876  -1.925
  265   1HG1  VAL 311          1HG1      VAL 311   6.265   4.652  -3.739
  266   2HG1  VAL 311          2HG1      VAL 311   6.669   3.127  -2.953
  267   3HG1  VAL 311          3HG1      VAL 311   7.952   4.173  -3.562
  268   1HG2  VAL 311          1HG2      VAL 311   4.962   5.395  -1.771
  269   2HG2  VAL 311          2HG2      VAL 311   5.713   5.440  -0.175
  270   3HG2  VAL 311          3HG2      VAL 311   5.319   3.891  -0.921
  271    H    ASN 312           H        ASN 312   9.691   6.086  -0.622
  272    HA   ASN 312           HA       ASN 312  11.424   5.474  -2.770
  273   1HB   ASN 312          1HB       ASN 312  11.231   7.747  -1.906
  274   2HB   ASN 312          2HB       ASN 312  11.868   7.233  -0.346
  275   1HD2  ASN 312          1HD2      ASN 312  12.619   7.858  -3.687
  276   2HD2  ASN 312          2HD2      ASN 312  14.334   7.939  -3.494
  277    H    LYS 313           H        LYS 313  11.435   4.683   0.646
  278    HA   LYS 313           HA       LYS 313  14.077   3.696   0.793
  279   1HB   LYS 313          1HB       LYS 313  12.819   4.248   2.803
  280   2HB   LYS 313          2HB       LYS 313  11.632   3.004   2.435
  281   1HG   LYS 313          1HG       LYS 313  13.428   1.303   2.660
  282   2HG   LYS 313          2HG       LYS 313  14.518   2.589   3.181
  283   1HD   LYS 313          1HD       LYS 313  11.899   2.239   4.569
  284   2HD   LYS 313          2HD       LYS 313  13.226   1.137   4.941
  285   1HE   LYS 313          1HE       LYS 313  13.165   3.029   6.491
  286   2HE   LYS 313          2HE       LYS 313  14.645   3.021   5.536
  287   1HZ   LYS 313          1HZ       LYS 313  13.632   5.240   5.752
  288   2HZ   LYS 313          2HZ       LYS 313  12.263   4.685   4.927
  289   3HZ   LYS 313          3HZ       LYS 313  13.759   4.738   4.140
  290    H    ILE 314           H        ILE 314  10.959   2.102   0.194
  291    HA   ILE 314           HA       ILE 314  11.996  -0.519  -0.035
  292    HB   ILE 314           HB       ILE 314   9.498   0.619  -1.303
  293   1HG1  ILE 314          1HG1      ILE 314   9.838  -0.875   1.307
  294   2HG1  ILE 314          2HG1      ILE 314   9.597   0.863   1.172
  295   1HG2  ILE 314          1HG2      ILE 314   8.732  -1.712  -1.367
  296   2HG2  ILE 314          2HG2      ILE 314  10.300  -2.238  -0.758
  297   3HG2  ILE 314          3HG2      ILE 314  10.182  -1.471  -2.341
  298   1HD1  ILE 314          1HD1      ILE 314   7.541  -0.321   1.756
  299   2HD1  ILE 314          2HD1      ILE 314   7.649  -1.239   0.255
  300   3HD1  ILE 314          3HD1      ILE 314   7.407   0.507   0.205
  301    H    LYS 315           H        LYS 315  11.460   2.052  -2.385
  302    HA   LYS 315           HA       LYS 315  12.032   0.489  -4.687
  303   1HB   LYS 315          1HB       LYS 315  10.726   2.577  -4.757
  304   2HB   LYS 315          2HB       LYS 315  12.166   3.486  -4.319
  305   1HG   LYS 315          1HG       LYS 315  13.238   2.870  -6.390
  306   2HG   LYS 315          2HG       LYS 315  11.874   1.834  -6.819
  307   1HD   LYS 315          1HD       LYS 315  10.405   3.784  -6.879
  308   2HD   LYS 315          2HD       LYS 315  11.756   4.824  -6.424
  309   1HE   LYS 315          1HE       LYS 315  11.589   3.157  -8.933
  310   2HE   LYS 315          2HE       LYS 315  11.303   4.894  -8.837
  311   1HZ   LYS 315          1HZ       LYS 315  13.858   3.531  -8.178
  312   2HZ   LYS 315          2HZ       LYS 315  13.581   5.199  -8.113
  313   3HZ   LYS 315          3HZ       LYS 315  13.542   4.393  -9.599
  314    H    ASN 316           H        ASN 316  14.001   2.335  -2.460
  315    HA   ASN 316           HA       ASN 316  16.337   2.318  -4.134
  316   1HB   ASN 316          1HB       ASN 316  16.034   4.110  -2.521
  317   2HB   ASN 316          2HB       ASN 316  15.990   2.951  -1.197
  318   1HD2  ASN 316          1HD2      ASN 316  17.996   4.533  -3.561
  319   2HD2  ASN 316          2HD2      ASN 316  19.511   4.150  -2.824
  320    H    ARG 317           H        ARG 317  15.348   0.578  -1.194
  321    HA   ARG 317           HA       ARG 317  17.672  -1.007  -0.994
  322   1HB   ARG 317          1HB       ARG 317  14.878  -1.516   0.041
  323   2HB   ARG 317          2HB       ARG 317  16.304  -2.429   0.515
  324   1HG   ARG 317          1HG       ARG 317  15.921   0.528   0.950
  325   2HG   ARG 317          2HG       ARG 317  15.668  -0.724   2.168
  326   1HD   ARG 317          1HD       ARG 317  18.265  -0.106   0.762
  327   2HD   ARG 317          2HD       ARG 317  17.855   0.328   2.421
  328    HE   ARG 317           HE       ARG 317  17.618  -2.474   1.981
  329   1HH1  ARG 317          1HH1      ARG 317  19.930   0.073   2.536
  330   2HH1  ARG 317          2HH1      ARG 317  21.105  -0.975   3.259
  331   1HH2  ARG 317          1HH2      ARG 317  19.159  -3.862   2.933
  332   2HH2  ARG 317          2HH2      ARG 317  20.668  -3.212   3.483
  333    H    PHE 318           H        PHE 318  14.414  -1.907  -2.151
  334    HA   PHE 318           HA       PHE 318  15.474  -4.337  -3.325
  335   1HB   PHE 318          1HB       PHE 318  12.677  -3.191  -3.252
  336   2HB   PHE 318          2HB       PHE 318  13.094  -4.745  -3.968
  337    HD1  PHE 318           HD1      PHE 318  12.625  -2.888  -0.868
  338    HD2  PHE 318           HD2      PHE 318  13.738  -6.625  -2.571
  339    HE1  PHE 318           HE1      PHE 318  12.364  -3.963   1.329
  340    HE2  PHE 318           HE2      PHE 318  13.479  -7.707  -0.377
  341    HZ   PHE 318           HZ       PHE 318  12.791  -6.376   1.576
  342    H    GLN 319           H        GLN 319  16.363  -1.762  -4.385
  343    HA   GLN 319           HA       GLN 319  15.104  -1.111  -6.804
  344   1HB   GLN 319          1HB       GLN 319  16.760   0.336  -5.711
  345   2HB   GLN 319          2HB       GLN 319  18.020  -0.839  -6.057
  346   1HG   GLN 319          1HG       GLN 319  17.774  -0.477  -8.424
  347   2HG   GLN 319          2HG       GLN 319  16.405   0.597  -8.149
  348   1HE2  GLN 319          1HE2      GLN 319  17.399   2.320  -9.178
  349   2HE2  GLN 319          2HE2      GLN 319  18.717   3.184  -8.474
  350    H    GLY 320           H        GLY 320  17.664  -3.439  -6.063
  351   1HA   GLY 320          1HA       GLY 320  18.178  -4.164  -8.767
  352   2HA   GLY 320          2HA       GLY 320  18.652  -5.077  -7.343
  353    H    GLN 321           H        GLN 321  15.542  -4.805  -6.768
  354    HA   GLN 321           HA       GLN 321  14.794  -7.132  -8.416
  355   1HB   GLN 321          1HB       GLN 321  14.090  -6.547  -5.537
  356   2HB   GLN 321          2HB       GLN 321  13.360  -7.834  -6.486
  357   1HG   GLN 321          1HG       GLN 321  15.055  -8.798  -5.139
  358   2HG   GLN 321          2HG       GLN 321  15.637  -8.794  -6.802
  359   1HE2  GLN 321          1HE2      GLN 321  17.785  -8.904  -6.184
  360   2HE2  GLN 321          2HE2      GLN 321  18.616  -7.565  -5.473
  361    HA   PRO 322           HA       PRO 322  11.649  -3.979  -9.416
  362   1HB   PRO 322          1HB       PRO 322  11.141  -4.824 -11.915
  363   2HB   PRO 322          2HB       PRO 322  12.579  -3.871 -11.529
  364   1HG   PRO 322          1HG       PRO 322  12.317  -6.826 -11.923
  365   2HG   PRO 322          2HG       PRO 322  13.577  -5.727 -12.512
  366   1HD   PRO 322          1HD       PRO 322  13.859  -7.310 -10.299
  367   2HD   PRO 322          2HD       PRO 322  14.715  -5.772 -10.523
  368    H    ASP 323           H        ASP 323  11.544  -7.460  -9.566
  369    HA   ASP 323           HA       ASP 323   8.766  -7.737 -10.084
  370   1HB   ASP 323          1HB       ASP 323  10.662  -9.666  -8.725
  371   2HB   ASP 323          2HB       ASP 323   9.071 -10.067  -9.368
  372    H    ILE 324           H        ILE 324  10.676  -7.544  -7.121
  373    HA   ILE 324           HA       ILE 324   8.615  -8.196  -5.314
  374    HB   ILE 324           HB       ILE 324  10.992  -6.403  -4.810
  375   1HG1  ILE 324          1HG1      ILE 324  11.663  -8.580  -5.749
  376   2HG1  ILE 324          2HG1      ILE 324  12.154  -8.424  -4.066
  377   1HG2  ILE 324          1HG2      ILE 324  10.734  -7.126  -2.475
  378   2HG2  ILE 324          2HG2      ILE 324   9.272  -8.007  -2.924
  379   3HG2  ILE 324          3HG2      ILE 324   9.321  -6.249  -3.063
  380   1HD1  ILE 324          1HD1      ILE 324   9.784  -9.973  -5.090
  381   2HD1  ILE 324          2HD1      ILE 324  10.244  -9.803  -3.396
  382   3HD1  ILE 324          3HD1      ILE 324  11.312 -10.645  -4.519
  383    H    TYR 325           H        TYR 325   9.936  -4.992  -6.184
  384    HA   TYR 325           HA       TYR 325   8.087  -3.458  -4.772
  385   1HB   TYR 325          1HB       TYR 325  10.181  -2.575  -5.761
  386   2HB   TYR 325          2HB       TYR 325   9.475  -2.740  -7.364
  387    HD1  TYR 325           HD1      TYR 325   8.319  -1.283  -4.108
  388    HD2  TYR 325           HD2      TYR 325   8.908  -0.715  -8.284
  389    HE1  TYR 325           HE1      TYR 325   7.393   0.989  -3.925
  390    HE2  TYR 325           HE2      TYR 325   7.983   1.555  -8.112
  391    HH   TYR 325           HH       TYR 325   6.498   2.834  -6.628
  392    H    LYS 326           H        LYS 326   8.029  -4.479  -8.179
  393    HA   LYS 326           HA       LYS 326   5.618  -3.276  -8.898
  394   1HB   LYS 326          1HB       LYS 326   7.146  -4.234 -10.544
  395   2HB   LYS 326          2HB       LYS 326   6.839  -5.848  -9.918
  396   1HG   LYS 326          1HG       LYS 326   4.491  -5.651 -10.606
  397   2HG   LYS 326          2HG       LYS 326   4.837  -4.054 -11.272
  398   1HD   LYS 326          1HD       LYS 326   6.430  -5.035 -12.834
  399   2HD   LYS 326          2HD       LYS 326   6.136  -6.633 -12.145
  400   1HE   LYS 326          1HE       LYS 326   3.790  -6.493 -12.837
  401   2HE   LYS 326          2HE       LYS 326   4.094  -4.902 -13.532
  402   1HZ   LYS 326          1HZ       LYS 326   4.133  -6.629 -15.219
  403   2HZ   LYS 326          2HZ       LYS 326   5.373  -7.438 -14.401
  404   3HZ   LYS 326          3HZ       LYS 326   5.658  -5.912 -15.072
  405    H    ALA 327           H        ALA 327   6.277  -6.341  -7.306
  406    HA   ALA 327           HA       ALA 327   3.719  -7.474  -7.476
  407   1HB   ALA 327          1HB       ALA 327   4.399  -8.897  -5.626
  408   2HB   ALA 327          2HB       ALA 327   5.753  -7.822  -5.276
  409   3HB   ALA 327          3HB       ALA 327   5.714  -8.726  -6.790
  410    H    PHE 328           H        PHE 328   5.185  -5.713  -4.736
  411    HA   PHE 328           HA       PHE 328   2.976  -5.584  -3.086
  412   1HB   PHE 328          1HB       PHE 328   5.206  -4.861  -2.388
  413   2HB   PHE 328          2HB       PHE 328   5.123  -3.488  -3.483
  414    HD1  PHE 328           HD1      PHE 328   2.876  -4.940  -0.869
  415    HD2  PHE 328           HD2      PHE 328   4.859  -1.498  -2.397
  416    HE1  PHE 328           HE1      PHE 328   1.897  -3.582   0.931
  417    HE2  PHE 328           HE2      PHE 328   3.878  -0.133  -0.603
  418    HZ   PHE 328           HZ       PHE 328   2.397  -1.176   1.065
  419    H    LEU 329           H        LEU 329   3.906  -3.368  -5.692
  420    HA   LEU 329           HA       LEU 329   1.880  -1.485  -5.386
  421   1HB   LEU 329          1HB       LEU 329   3.249  -2.454  -7.896
  422   2HB   LEU 329          2HB       LEU 329   2.206  -1.046  -7.831
  423    HG   LEU 329           HG       LEU 329   4.791  -1.362  -6.303
  424   1HD1  LEU 329          1HD1      LEU 329   4.124   0.230  -8.773
  425   2HD1  LEU 329          2HD1      LEU 329   5.223  -1.145  -8.666
  426   3HD1  LEU 329          3HD1      LEU 329   5.622   0.367  -7.853
  427   1HD2  LEU 329          1HD2      LEU 329   2.929   0.994  -6.593
  428   2HD2  LEU 329          2HD2      LEU 329   4.503   1.021  -5.800
  429   3HD2  LEU 329          3HD2      LEU 329   3.196   0.048  -5.128
  430    H    GLU 330           H        GLU 330   1.928  -4.464  -7.315
  431    HA   GLU 330           HA       GLU 330  -0.639  -4.227  -8.412
  432   1HB   GLU 330          1HB       GLU 330   1.027  -6.665  -7.784
  433   2HB   GLU 330          2HB       GLU 330  -0.491  -6.733  -8.670
  434   1HG   GLU 330          1HG       GLU 330   0.439  -5.323 -10.412
  435   2HG   GLU 330          2HG       GLU 330   1.948  -5.184  -9.515
  436    H    ILE 331           H        ILE 331   0.466  -5.464  -5.313
  437    HA   ILE 331           HA       ILE 331  -1.893  -6.746  -4.498
  438    HB   ILE 331           HB       ILE 331   0.120  -5.305  -2.762
  439   1HG1  ILE 331          1HG1      ILE 331  -0.050  -8.238  -3.490
  440   2HG1  ILE 331          2HG1      ILE 331   1.088  -7.096  -4.196
  441   1HG2  ILE 331          1HG2      ILE 331  -0.710  -6.752  -0.962
  442   2HG2  ILE 331          2HG2      ILE 331  -1.936  -7.395  -2.055
  443   3HG2  ILE 331          3HG2      ILE 331  -1.973  -5.694  -1.590
  444   1HD1  ILE 331          1HD1      ILE 331   2.032  -6.714  -1.941
  445   2HD1  ILE 331          2HD1      ILE 331   2.193  -8.379  -2.499
  446   3HD1  ILE 331          3HD1      ILE 331   0.953  -7.961  -1.317
  447    H    LEU 332           H        LEU 332  -0.736  -3.445  -3.822
  448    HA   LEU 332           HA       LEU 332  -3.040  -2.589  -2.465
  449   1HB   LEU 332          1HB       LEU 332  -1.280  -0.785  -4.105
  450   2HB   LEU 332          2HB       LEU 332  -2.188  -0.387  -2.660
  451    HG   LEU 332           HG       LEU 332   0.335  -2.025  -2.848
  452   1HD1  LEU 332          1HD1      LEU 332  -0.353   0.544  -1.435
  453   2HD1  LEU 332          2HD1      LEU 332   0.662   0.371  -2.867
  454   3HD1  LEU 332          3HD1      LEU 332   1.192  -0.300  -1.325
  455   1HD2  LEU 332          1HD2      LEU 332  -1.183  -3.104  -1.260
  456   2HD2  LEU 332          2HD2      LEU 332  -1.401  -1.567  -0.423
  457   3HD2  LEU 332          3HD2      LEU 332   0.180  -2.348  -0.436
  458    H    HIS 333           H        HIS 333  -2.212  -2.603  -5.891
  459    HA   HIS 333           HA       HIS 333  -4.290  -0.984  -6.835
  460   1HB   HIS 333          1HB       HIS 333  -2.913  -3.323  -8.171
  461   2HB   HIS 333          2HB       HIS 333  -3.988  -2.201  -8.996
  462    HD1  HIS 333           HD1      HIS 333  -0.850  -2.681  -9.527
  463    HD2  HIS 333           HD2      HIS 333  -2.601   0.529  -7.553
  464    HE1  HIS 333           HE1      HIS 333   0.807  -0.798  -9.705
  465    HE2  HIS 333           HE2      HIS 333  -0.234   1.104  -8.422
  466    H    THR 334           H        THR 334  -4.151  -4.534  -6.563
  467    HA   THR 334           HA       THR 334  -6.757  -5.077  -7.387
  468    HB   THR 334           HB       THR 334  -5.129  -6.610  -5.347
  469    HG1  THR 334           HG1      THR 334  -4.210  -6.251  -7.532
  470   1HG2  THR 334          1HG2      THR 334  -6.494  -8.535  -6.047
  471   2HG2  THR 334          2HG2      THR 334  -7.453  -7.471  -7.075
  472   3HG2  THR 334          3HG2      THR 334  -7.479  -7.263  -5.324
  473    H    TYR 335           H        TYR 335  -5.470  -4.262  -4.207
  474    HA   TYR 335           HA       TYR 335  -7.751  -4.721  -2.668
  475   1HB   TYR 335          1HB       TYR 335  -5.515  -4.239  -1.731
  476   2HB   TYR 335          2HB       TYR 335  -5.649  -2.575  -2.287
  477    HD1  TYR 335           HD1      TYR 335  -7.124  -1.001  -1.159
  478    HD2  TYR 335           HD2      TYR 335  -6.761  -5.018   0.194
  479    HE1  TYR 335           HE1      TYR 335  -8.210  -0.379   0.959
  480    HE2  TYR 335           HE2      TYR 335  -7.846  -4.408   2.316
  481    HH   TYR 335           HH       TYR 335  -8.213  -2.394   3.685
  482    H    GLN 336           H        GLN 336  -6.713  -1.790  -4.382
  483    HA   GLN 336           HA       GLN 336  -8.881  -0.171  -3.585
  484   1HB   GLN 336          1HB       GLN 336  -6.772   0.721  -4.508
  485   2HB   GLN 336          2HB       GLN 336  -7.183   0.042  -6.078
  486   1HG   GLN 336          1HG       GLN 336  -9.159   1.482  -6.177
  487   2HG   GLN 336          2HG       GLN 336  -8.726   2.172  -4.613
  488   1HE2  GLN 336          1HE2      GLN 336  -7.948   2.002  -7.992
  489   2HE2  GLN 336          2HE2      GLN 336  -6.857   3.342  -8.020
  490    H    LYS 337           H        LYS 337  -8.419  -2.335  -6.335
  491    HA   LYS 337           HA       LYS 337 -10.702  -1.584  -7.796
  492   1HB   LYS 337          1HB       LYS 337  -9.291  -4.251  -7.681
  493   2HB   LYS 337          2HB       LYS 337 -10.500  -3.798  -8.874
  494   1HG   LYS 337          1HG       LYS 337  -9.042  -1.984  -9.647
  495   2HG   LYS 337          2HG       LYS 337  -7.820  -2.488  -8.480
  496   1HD   LYS 337          1HD       LYS 337  -7.645  -4.657  -9.569
  497   2HD   LYS 337          2HD       LYS 337  -8.916  -4.204 -10.707
  498   1HE   LYS 337          1HE       LYS 337  -6.692  -3.976 -11.702
  499   2HE   LYS 337          2HE       LYS 337  -7.518  -2.422 -11.588
  500   1HZ   LYS 337          1HZ       LYS 337  -5.446  -3.413  -9.704
  501   2HZ   LYS 337          2HZ       LYS 337  -6.227  -1.917  -9.614
  502   3HZ   LYS 337          3HZ       LYS 337  -5.202  -2.256 -10.914
  503    H    GLU 338           H        GLU 338 -10.235  -3.963  -5.225
  504    HA   GLU 338           HA       GLU 338 -12.847  -5.061  -5.373
  505   1HB   GLU 338          1HB       GLU 338 -10.834  -5.029  -3.120
  506   2HB   GLU 338          2HB       GLU 338 -12.332  -5.948  -3.090
  507   1HG   GLU 338          1HG       GLU 338 -10.048  -6.303  -5.017
  508   2HG   GLU 338          2HG       GLU 338 -10.488  -7.375  -3.691
  509    H    GLN 339           H        GLN 339 -11.402  -2.528  -3.347
  510    HA   GLN 339           HA       GLN 339 -13.630  -2.034  -1.723
  511   1HB   GLN 339          1HB       GLN 339 -11.467  -0.133  -2.644
  512   2HB   GLN 339          2HB       GLN 339 -12.605   0.200  -1.345
  513   1HG   GLN 339          1HG       GLN 339 -10.610  -2.053  -1.376
  514   2HG   GLN 339          2HG       GLN 339 -10.418  -0.525  -0.517
  515   1HE2  GLN 339          1HE2      GLN 339 -11.663  -0.122   1.312
  516   2HE2  GLN 339          2HE2      GLN 339 -12.496  -1.381   2.151
  517    H    ARG 340           H        ARG 340 -12.623  -0.461  -4.749
  518    HA   ARG 340           HA       ARG 340 -14.805   1.311  -4.916
  519   1HB   ARG 340          1HB       ARG 340 -12.735   1.623  -6.196
  520   2HB   ARG 340          2HB       ARG 340 -13.085   0.175  -7.129
  521   1HG   ARG 340          1HG       ARG 340 -15.133   1.266  -7.983
  522   2HG   ARG 340          2HG       ARG 340 -14.673   2.733  -7.116
  523   1HD   ARG 340          1HD       ARG 340 -13.018   1.379  -9.243
  524   2HD   ARG 340          2HD       ARG 340 -14.040   2.791  -9.502
  525    HE   ARG 340           HE       ARG 340 -12.426   3.609  -7.515
  526   1HH1  ARG 340          1HH1      ARG 340 -11.774   2.067 -10.571
  527   2HH1  ARG 340          2HH1      ARG 340 -10.227   2.821 -10.768
  528   1HH2  ARG 340          1HH2      ARG 340 -10.394   4.611  -7.769
  529   2HH2  ARG 340          2HH2      ARG 340  -9.445   4.273  -9.178
  530    H    ASN 341           H        ASN 341 -14.307  -1.967  -6.116
  531    HA   ASN 341           HA       ASN 341 -16.573  -2.165  -7.747
  532   1HB   ASN 341          1HB       ASN 341 -14.737  -3.820  -7.741
  533   2HB   ASN 341          2HB       ASN 341 -15.245  -4.363  -6.146
  534   1HD2  ASN 341          1HD2      ASN 341 -15.945  -4.361  -9.533
  535   2HD2  ASN 341          2HD2      ASN 341 -17.183  -5.565  -9.492
  536    H    ALA 342           H        ALA 342 -16.141  -2.781  -4.291
  537    HA   ALA 342           HA       ALA 342 -18.783  -3.745  -3.858
  538   1HB   ALA 342          1HB       ALA 342 -16.964  -4.298  -2.337
  539   2HB   ALA 342          2HB       ALA 342 -18.269  -3.481  -1.477
  540   3HB   ALA 342          3HB       ALA 342 -16.801  -2.598  -1.894
  541    H    LYS 343           H        LYS 343 -17.248  -0.578  -3.620
  542    HA   LYS 343           HA       LYS 343 -19.439   0.756  -2.422
  543   1HB   LYS 343          1HB       LYS 343 -17.154   1.662  -2.401
  544   2HB   LYS 343          2HB       LYS 343 -17.220   1.874  -4.145
  545   1HG   LYS 343          1HG       LYS 343 -19.029   3.489  -3.890
  546   2HG   LYS 343          2HG       LYS 343 -18.982   3.270  -2.140
  547   1HD   LYS 343          1HD       LYS 343 -16.679   4.264  -3.819
  548   2HD   LYS 343          2HD       LYS 343 -17.779   5.298  -2.908
  549   1HE   LYS 343          1HE       LYS 343 -17.088   4.189  -0.832
  550   2HE   LYS 343          2HE       LYS 343 -15.982   3.167  -1.749
  551   1HZ   LYS 343          1HZ       LYS 343 -15.833   6.130  -1.590
  552   2HZ   LYS 343          2HZ       LYS 343 -14.749   5.121  -2.405
  553   3HZ   LYS 343          3HZ       LYS 343 -14.857   5.058  -0.718
  554    H    GLU 344           H        GLU 344 -18.671  -0.115  -5.700
  555    HA   GLU 344           HA       GLU 344 -20.784   1.577  -6.781
  556   1HB   GLU 344          1HB       GLU 344 -18.612   1.375  -7.969
  557   2HB   GLU 344          2HB       GLU 344 -18.932  -0.337  -8.212
  558   1HG   GLU 344          1HG       GLU 344 -20.951   0.262  -9.499
  559   2HG   GLU 344          2HG       GLU 344 -20.527   1.963  -9.317
  560    H    ALA 345           H        ALA 345 -20.240  -1.674  -5.797
  561    HA   ALA 345           HA       ALA 345 -22.173  -2.988  -7.381
  562   1HB   ALA 345          1HB       ALA 345 -22.022  -4.791  -5.745
  563   2HB   ALA 345          2HB       ALA 345 -21.161  -3.723  -4.635
  564   3HB   ALA 345          3HB       ALA 345 -20.421  -4.185  -6.168
  565    H    GLY 346           H        GLY 346 -22.368  -1.251  -4.328
  566   1HA   GLY 346          1HA       GLY 346 -24.645  -0.151  -4.109
  567   2HA   GLY 346          2HA       GLY 346 -25.272  -1.785  -4.266
  568    H    GLY 347           H        GLY 347 -24.135  -3.364  -2.638
  569   1HA   GLY 347          1HA       GLY 347 -23.316  -2.241  -0.138
  570   2HA   GLY 347          2HA       GLY 347 -24.989  -2.775  -0.094
  571    H    ASN 348           H        ASN 348 -25.379  -5.059  -0.777
  572    HA   ASN 348           HA       ASN 348 -23.689  -6.793   0.707
  573   1HB   ASN 348          1HB       ASN 348 -26.090  -7.206   0.508
  574   2HB   ASN 348          2HB       ASN 348 -25.922  -7.436  -1.231
  575   1HD2  ASN 348          1HD2      ASN 348 -25.372  -8.796   1.911
  576   2HD2  ASN 348          2HD2      ASN 348 -25.005 -10.398   1.379
  577    H    TYR 349           H        TYR 349 -21.757  -7.447   0.063
  578    HA   TYR 349           HA       TYR 349 -21.406  -8.795  -2.437
  579   1HB   TYR 349          1HB       TYR 349 -21.178  -6.452  -3.181
  580   2HB   TYR 349          2HB       TYR 349 -19.891  -6.210  -2.004
  581    HD1  TYR 349           HD1      TYR 349 -20.812  -8.090  -5.066
  582    HD2  TYR 349           HD2      TYR 349 -17.662  -6.809  -2.507
  583    HE1  TYR 349           HE1      TYR 349 -19.163  -8.846  -6.726
  584    HE2  TYR 349           HE2      TYR 349 -16.004  -7.561  -4.163
  585    HH   TYR 349           HH       TYR 349 -15.887  -9.199  -6.039
  586    H    THR 350           H        THR 350 -19.607 -10.120  -2.442
  587    HA   THR 350           HA       THR 350 -18.003 -10.085   0.031
  588    HB   THR 350           HB       THR 350 -19.305 -12.031   0.191
  589    HG1  THR 350           HG1      THR 350 -17.572 -13.160   0.582
  590   1HG2  THR 350          1HG2      THR 350 -20.202 -12.067  -2.080
  591   2HG2  THR 350          2HG2      THR 350 -19.585 -13.655  -1.629
  592   3HG2  THR 350          3HG2      THR 350 -18.645 -12.615  -2.699
  593    HA   PRO 351           HA       PRO 351 -14.936  -9.374  -3.318
  594   1HB   PRO 351          1HB       PRO 351 -13.347  -8.389  -1.037
  595   2HB   PRO 351          2HB       PRO 351 -13.749  -7.584  -2.556
  596   1HG   PRO 351          1HG       PRO 351 -14.866  -6.836  -0.238
  597   2HG   PRO 351          2HG       PRO 351 -15.773  -6.803  -1.762
  598   1HD   PRO 351          1HD       PRO 351 -15.860  -8.820   0.454
  599   2HD   PRO 351          2HD       PRO 351 -17.194  -8.131  -0.496
  600    H    ALA 352           H        ALA 352 -12.721 -10.151  -3.574
  601    HA   ALA 352           HA       ALA 352 -12.260 -12.588  -1.996
  602   1HB   ALA 352          1HB       ALA 352 -11.218 -11.853  -4.729
  603   2HB   ALA 352          2HB       ALA 352 -12.581 -12.922  -4.398
  604   3HB   ALA 352          3HB       ALA 352 -10.955 -13.385  -3.895
  605    H    LEU 353           H        LEU 353 -11.275  -9.492  -2.032
  606    HA   LEU 353           HA       LEU 353  -8.640 -10.184  -0.946
  607   1HB   LEU 353          1HB       LEU 353  -8.680  -9.239  -3.389
  608   2HB   LEU 353          2HB       LEU 353  -8.975  -7.706  -2.597
  609    HG   LEU 353           HG       LEU 353  -6.604  -8.023  -3.152
  610   1HD1  LEU 353          1HD1      LEU 353  -7.133  -8.041  -0.187
  611   2HD1  LEU 353          2HD1      LEU 353  -7.204  -6.630  -1.242
  612   3HD1  LEU 353          3HD1      LEU 353  -5.670  -7.458  -0.978
  613   1HD2  LEU 353          1HD2      LEU 353  -6.495 -10.447  -2.975
  614   2HD2  LEU 353          2HD2      LEU 353  -6.735 -10.343  -1.230
  615   3HD2  LEU 353          3HD2      LEU 353  -5.269  -9.687  -1.959
  616    H    THR 354           H        THR 354  -8.549  -9.490   1.077
  617    HA   THR 354           HA       THR 354  -9.926  -6.981   1.779
  618    HB   THR 354           HB       THR 354 -10.435  -7.901   3.987
  619    HG1  THR 354           HG1      THR 354  -8.839  -9.966   3.049
  620   1HG2  THR 354          1HG2      THR 354 -12.093  -9.633   3.285
  621   2HG2  THR 354          2HG2      THR 354 -11.378  -9.594   1.673
  622   3HG2  THR 354          3HG2      THR 354 -12.156  -8.153   2.328
  623    H    GLU 355           H        GLU 355  -9.082  -6.677   4.351
  624    HA   GLU 355           HA       GLU 355  -6.485  -5.632   4.033
  625   1HB   GLU 355          1HB       GLU 355  -8.067  -6.190   6.549
  626   2HB   GLU 355          2HB       GLU 355  -6.579  -5.256   6.496
  627   1HG   GLU 355          1HG       GLU 355  -8.343  -3.700   6.552
  628   2HG   GLU 355          2HG       GLU 355  -7.737  -3.702   4.897
  629    H    GLN 356           H        GLN 356  -7.658  -8.484   5.801
  630    HA   GLN 356           HA       GLN 356  -5.192  -9.345   6.799
  631   1HB   GLN 356          1HB       GLN 356  -7.394 -10.204   7.541
  632   2HB   GLN 356          2HB       GLN 356  -7.565 -11.046   6.007
  633   1HG   GLN 356          1HG       GLN 356  -5.612 -12.405   6.523
  634   2HG   GLN 356          2HG       GLN 356  -5.412 -11.549   8.051
  635   1HE2  GLN 356          1HE2      GLN 356  -7.317 -13.849   6.276
  636   2HE2  GLN 356          2HE2      GLN 356  -8.189 -14.478   7.627
  637    H    GLU 357           H        GLU 357  -6.841 -10.097   3.756
  638    HA   GLU 357           HA       GLU 357  -5.109 -12.037   2.778
  639   1HB   GLU 357          1HB       GLU 357  -6.625  -9.926   1.234
  640   2HB   GLU 357          2HB       GLU 357  -5.906 -11.368   0.533
  641   1HG   GLU 357          1HG       GLU 357  -8.109 -11.312   2.582
  642   2HG   GLU 357          2HG       GLU 357  -8.300 -11.632   0.859
  643    H    VAL 358           H        VAL 358  -4.920  -8.512   2.564
  644    HA   VAL 358           HA       VAL 358  -2.649  -8.382   0.907
  645    HB   VAL 358           HB       VAL 358  -3.717  -6.423   2.942
  646   1HG1  VAL 358          1HG1      VAL 358  -2.247  -4.754   1.852
  647   2HG1  VAL 358          2HG1      VAL 358  -1.471  -6.062   0.960
  648   3HG1  VAL 358          3HG1      VAL 358  -1.350  -6.000   2.719
  649   1HG2  VAL 358          1HG2      VAL 358  -3.794  -6.436  -0.072
  650   2HG2  VAL 358          2HG2      VAL 358  -4.494  -5.207   0.982
  651   3HG2  VAL 358          3HG2      VAL 358  -5.139  -6.849   0.992
  652    H    TYR 359           H        TYR 359  -2.899  -8.005   4.449
  653    HA   TYR 359           HA       TYR 359  -0.238  -7.786   5.076
  654   1HB   TYR 359          1HB       TYR 359  -2.115  -7.609   6.697
  655   2HB   TYR 359          2HB       TYR 359  -2.280  -9.361   6.659
  656    HD1  TYR 359           HD1      TYR 359  -0.104  -6.574   7.694
  657    HD2  TYR 359           HD2      TYR 359  -0.779 -10.770   7.884
  658    HE1  TYR 359           HE1      TYR 359   1.563  -6.753   9.491
  659    HE2  TYR 359           HE2      TYR 359   0.886 -10.962   9.684
  660    HH   TYR 359           HH       TYR 359   2.831  -9.723  10.534
  661    H    ALA 360           H        ALA 360  -2.041 -10.692   4.271
  662    HA   ALA 360           HA       ALA 360  -0.033 -12.552   5.016
  663   1HB   ALA 360          1HB       ALA 360  -2.247 -12.888   2.995
  664   2HB   ALA 360          2HB       ALA 360  -2.396 -13.162   4.731
  665   3HB   ALA 360          3HB       ALA 360  -1.325 -14.178   3.766
  666    H    GLN 361           H        GLN 361  -1.004 -11.301   1.817
  667    HA   GLN 361           HA       GLN 361   0.998 -12.587   0.341
  668   1HB   GLN 361          1HB       GLN 361  -0.369  -9.958  -0.260
  669   2HB   GLN 361          2HB       GLN 361   0.496 -10.957  -1.421
  670   1HG   GLN 361          1HG       GLN 361  -1.128 -12.724  -1.168
  671   2HG   GLN 361          2HG       GLN 361  -1.962 -11.814   0.090
  672   1HE2  GLN 361          1HE2      GLN 361  -2.990 -12.814  -2.431
  673   2HE2  GLN 361          2HE2      GLN 361  -3.572 -11.439  -3.300
  674    H    VAL 362           H        VAL 362   0.925  -9.261   1.624
  675    HA   VAL 362           HA       VAL 362   3.436  -8.465   0.704
  676    HB   VAL 362           HB       VAL 362   2.177  -7.553   3.295
  677   1HG1  VAL 362          1HG1      VAL 362   4.506  -6.861   2.933
  678   2HG1  VAL 362          2HG1      VAL 362   3.398  -5.490   2.883
  679   3HG1  VAL 362          3HG1      VAL 362   4.045  -6.154   1.383
  680   1HG2  VAL 362          1HG2      VAL 362   1.065  -5.812   2.014
  681   2HG2  VAL 362          2HG2      VAL 362   0.556  -7.402   1.452
  682   3HG2  VAL 362          3HG2      VAL 362   1.721  -6.470   0.516
  683    H    ALA 363           H        ALA 363   2.497 -10.054   3.732
  684    HA   ALA 363           HA       ALA 363   5.033 -10.020   4.949
  685   1HB   ALA 363          1HB       ALA 363   2.971 -10.508   6.177
  686   2HB   ALA 363          2HB       ALA 363   4.171 -11.780   6.401
  687   3HB   ALA 363          3HB       ALA 363   2.812 -12.033   5.306
  688    H    ARG 364           H        ARG 364   3.522 -12.250   2.689
  689    HA   ARG 364           HA       ARG 364   5.404 -14.327   2.846
  690   1HB   ARG 364          1HB       ARG 364   3.210 -14.562   1.756
  691   2HB   ARG 364          2HB       ARG 364   3.727 -13.466   0.481
  692   1HG   ARG 364          1HG       ARG 364   5.472 -15.059  -0.172
  693   2HG   ARG 364          2HG       ARG 364   4.922 -16.163   1.092
  694   1HD   ARG 364          1HD       ARG 364   3.338 -15.219  -1.293
  695   2HD   ARG 364          2HD       ARG 364   4.008 -16.832  -1.046
  696    HE   ARG 364           HE       ARG 364   2.337 -16.256   1.112
  697   1HH1  ARG 364          1HH1      ARG 364   2.105 -16.784  -2.324
  698   2HH1  ARG 364          2HH1      ARG 364   0.493 -17.411  -2.249
  699   1HH2  ARG 364          1HH2      ARG 364   0.214 -17.081   1.219
  700   2HH2  ARG 364          2HH2      ARG 364  -0.583 -17.579  -0.236
  701    H    LEU 365           H        LEU 365   5.199 -11.550   0.630
  702    HA   LEU 365           HA       LEU 365   7.534 -12.148  -0.823
  703   1HB   LEU 365          1HB       LEU 365   6.151  -9.514  -0.325
  704   2HB   LEU 365          2HB       LEU 365   7.467  -9.728  -1.465
  705    HG   LEU 365           HG       LEU 365   4.832 -11.191  -1.638
  706   1HD1  LEU 365          1HD1      LEU 365   4.479  -8.807  -1.938
  707   2HD1  LEU 365          2HD1      LEU 365   4.308  -9.659  -3.474
  708   3HD1  LEU 365          3HD1      LEU 365   5.779  -8.748  -3.128
  709   1HD2  LEU 365          1HD2      LEU 365   6.699 -12.351  -2.698
  710   2HD2  LEU 365          2HD2      LEU 365   7.100 -10.893  -3.605
  711   3HD2  LEU 365          3HD2      LEU 365   5.575 -11.726  -3.904
  712    H    PHE 366           H        PHE 366   7.033  -9.869   1.874
  713    HA   PHE 366           HA       PHE 366   9.918  -9.572   2.163
  714   1HB   PHE 366          1HB       PHE 366   7.691  -8.244   3.721
  715   2HB   PHE 366          2HB       PHE 366   9.398  -7.815   3.772
  716    HD1  PHE 366           HD1      PHE 366  10.380  -7.399   1.264
  717    HD2  PHE 366           HD2      PHE 366   6.356  -6.837   2.533
  718    HE1  PHE 366           HE1      PHE 366  10.027  -5.803  -0.575
  719    HE2  PHE 366           HE2      PHE 366   5.996  -5.243   0.694
  720    HZ   PHE 366           HZ       PHE 366   7.831  -4.724  -0.862
  721    H    LYS 367           H        LYS 367  10.645 -11.471   3.028
  722    HA   LYS 367           HA       LYS 367   9.479 -12.330   5.587
  723   1HB   LYS 367          1HB       LYS 367   9.564 -14.008   3.749
  724   2HB   LYS 367          2HB       LYS 367  11.316 -13.868   3.743
  725   1HG   LYS 367          1HG       LYS 367  11.385 -14.679   6.052
  726   2HG   LYS 367          2HG       LYS 367   9.628 -14.831   6.045
  727   1HD   LYS 367          1HD       LYS 367  11.498 -16.288   4.176
  728   2HD   LYS 367          2HD       LYS 367  10.789 -16.978   5.638
  729   1HE   LYS 367          1HE       LYS 367   9.289 -15.968   3.224
  730   2HE   LYS 367          2HE       LYS 367   9.528 -17.655   3.673
  731   1HZ   LYS 367          1HZ       LYS 367   8.276 -17.238   5.708
  732   2HZ   LYS 367          2HZ       LYS 367   7.348 -16.894   4.336
  733   3HZ   LYS 367          3HZ       LYS 367   8.020 -15.633   5.240
  734    H    ASN 368           H        ASN 368  12.234 -10.940   4.120
  735    HA   ASN 368           HA       ASN 368  13.896 -11.453   6.483
  736   1HB   ASN 368          1HB       ASN 368  15.731 -10.466   5.038
  737   2HB   ASN 368          2HB       ASN 368  15.061 -11.997   4.482
  738   1HD2  ASN 368          1HD2      ASN 368  15.723 -11.623   2.373
  739   2HD2  ASN 368          2HD2      ASN 368  14.936 -10.474   1.350
  740    H    GLN 369           H        GLN 369  11.915  -9.095   5.099
  741    HA   GLN 369           HA       GLN 369  13.123  -7.028   6.815
  742   1HB   GLN 369          1HB       GLN 369  11.815  -6.678   4.114
  743   2HB   GLN 369          2HB       GLN 369  12.240  -5.347   5.183
  744   1HG   GLN 369          1HG       GLN 369  14.172  -7.331   4.003
  745   2HG   GLN 369          2HG       GLN 369  13.905  -5.685   3.430
  746   1HE2  GLN 369          1HE2      GLN 369  13.589  -4.627   6.130
  747   2HE2  GLN 369          2HE2      GLN 369  15.176  -4.569   6.810
  748    H    GLU 370           H        GLU 370  11.704  -7.784   8.482
  749    HA   GLU 370           HA       GLU 370   8.856  -7.635   8.144
  750   1HB   GLU 370          1HB       GLU 370  10.480  -7.807  10.690
  751   2HB   GLU 370          2HB       GLU 370   8.757  -8.121  10.535
  752   1HG   GLU 370          1HG       GLU 370   9.215 -10.038   9.116
  753   2HG   GLU 370          2HG       GLU 370  10.945  -9.709   9.209
  754    H    ASP 371           H        ASP 371  11.374  -5.453   9.049
  755    HA   ASP 371           HA       ASP 371  10.010  -3.601  10.612
  756   1HB   ASP 371          1HB       ASP 371  12.166  -3.054   8.558
  757   2HB   ASP 371          2HB       ASP 371  11.694  -1.974   9.866
  758    H    LEU 372           H        LEU 372  10.409  -3.654   7.077
  759    HA   LEU 372           HA       LEU 372   8.884  -1.381   6.509
  760   1HB   LEU 372          1HB       LEU 372   9.660  -3.817   4.960
  761   2HB   LEU 372          2HB       LEU 372   8.490  -2.707   4.274
  762    HG   LEU 372           HG       LEU 372  10.109  -0.899   4.323
  763   1HD1  LEU 372          1HD1      LEU 372  12.432  -1.291   4.987
  764   2HD1  LEU 372          2HD1      LEU 372  11.999  -2.911   5.534
  765   3HD1  LEU 372          3HD1      LEU 372  11.322  -1.496   6.342
  766   1HD2  LEU 372          1HD2      LEU 372  11.661  -1.732   2.664
  767   2HD2  LEU 372          2HD2      LEU 372  10.061  -2.419   2.389
  768   3HD2  LEU 372          3HD2      LEU 372  11.321  -3.395   3.144
  769    H    LEU 373           H        LEU 373   7.944  -4.782   6.804
  770    HA   LEU 373           HA       LEU 373   5.259  -4.504   6.041
  771   1HB   LEU 373          1HB       LEU 373   6.491  -6.664   6.323
  772   2HB   LEU 373          2HB       LEU 373   6.378  -6.451   8.058
  773    HG   LEU 373           HG       LEU 373   3.950  -6.596   7.958
  774   1HD1  LEU 373          1HD1      LEU 373   3.555  -5.591   5.793
  775   2HD1  LEU 373          2HD1      LEU 373   2.824  -7.196   5.855
  776   3HD1  LEU 373          3HD1      LEU 373   4.343  -6.951   4.991
  777   1HD2  LEU 373          1HD2      LEU 373   3.745  -8.935   7.280
  778   2HD2  LEU 373          2HD2      LEU 373   5.211  -8.658   8.221
  779   3HD2  LEU 373          3HD2      LEU 373   5.308  -8.836   6.468
  780    H    SER 374           H        SER 374   6.891  -3.980   9.105
  781    HA   SER 374           HA       SER 374   4.585  -3.774  10.727
  782   1HB   SER 374          1HB       SER 374   6.824  -4.110  11.681
  783   2HB   SER 374          2HB       SER 374   7.314  -2.516  11.107
  784    HG   SER 374           HG       SER 374   5.037  -2.696  12.713
  785    H    GLU 375           H        GLU 375   6.625  -1.279   9.208
  786    HA   GLU 375           HA       GLU 375   5.164   0.947  10.018
  787   1HB   GLU 375          1HB       GLU 375   7.374   1.089   8.944
  788   2HB   GLU 375          2HB       GLU 375   6.672   0.553   7.424
  789   1HG   GLU 375          1HG       GLU 375   7.022   2.952   7.430
  790   2HG   GLU 375          2HG       GLU 375   5.305   2.566   7.332
  791    H    PHE 376           H        PHE 376   4.693  -1.247   7.313
  792    HA   PHE 376           HA       PHE 376   2.639   0.212   6.027
  793   1HB   PHE 376          1HB       PHE 376   3.840  -1.534   4.845
  794   2HB   PHE 376          2HB       PHE 376   3.290  -2.743   6.000
  795    HD1  PHE 376           HD1      PHE 376   1.309  -3.910   5.640
  796    HD2  PHE 376           HD2      PHE 376   2.081  -0.357   3.427
  797    HE1  PHE 376           HE1      PHE 376  -0.653  -4.369   4.228
  798    HE2  PHE 376           HE2      PHE 376   0.119  -0.810   2.011
  799    HZ   PHE 376           HZ       PHE 376  -1.251  -2.817   2.411
  800    H    GLY 377           H        GLY 377   2.641  -2.278   8.530
  801   1HA   GLY 377          1HA       GLY 377  -0.151  -2.688   8.636
  802   2HA   GLY 377          2HA       GLY 377   0.989  -3.050   9.925
  803    H    GLN 378           H        GLN 378   1.950  -0.324  10.170
  804    HA   GLN 378           HA       GLN 378   0.215   0.630  12.131
  805   1HB   GLN 378          1HB       GLN 378   2.354   2.045  10.541
  806   2HB   GLN 378          2HB       GLN 378   1.502   2.795  11.882
  807   1HG   GLN 378          1HG       GLN 378   2.314   1.022  13.371
  808   2HG   GLN 378          2HG       GLN 378   3.206   0.318  12.021
  809   1HE2  GLN 378          1HE2      GLN 378   3.007   2.970  14.260
  810   2HE2  GLN 378          2HE2      GLN 378   4.594   3.592  13.981
  811    H    PHE 379           H        PHE 379   0.676   1.831   8.807
  812    HA   PHE 379           HA       PHE 379  -1.306   3.810   8.908
  813   1HB   PHE 379          1HB       PHE 379  -0.213   2.248   6.562
  814   2HB   PHE 379          2HB       PHE 379  -1.285   3.633   6.402
  815    HD1  PHE 379           HD1      PHE 379   2.073   2.556   6.627
  816    HD2  PHE 379           HD2      PHE 379  -0.494   5.837   7.495
  817    HE1  PHE 379           HE1      PHE 379   4.021   4.056   6.690
  818    HE2  PHE 379           HE2      PHE 379   1.449   7.345   7.559
  819    HZ   PHE 379           HZ       PHE 379   3.710   6.455   7.156
  820    H    LEU 380           H        LEU 380  -1.462   0.409   7.947
  821    HA   LEU 380           HA       LEU 380  -4.087   0.363   6.998
  822   1HB   LEU 380          1HB       LEU 380  -2.350  -1.463   6.830
  823   2HB   LEU 380          2HB       LEU 380  -2.726  -1.874   8.492
  824    HG   LEU 380           HG       LEU 380  -5.144  -2.173   7.682
  825   1HD1  LEU 380          1HD1      LEU 380  -5.432  -2.697   5.343
  826   2HD1  LEU 380          2HD1      LEU 380  -3.730  -2.365   5.028
  827   3HD1  LEU 380          3HD1      LEU 380  -4.809  -1.055   5.510
  828   1HD2  LEU 380          1HD2      LEU 380  -4.694  -4.465   6.973
  829   2HD2  LEU 380          2HD2      LEU 380  -3.689  -4.014   8.351
  830   3HD2  LEU 380          3HD2      LEU 380  -2.994  -4.061   6.730
  831    HA   PRO 381           HA       PRO 381  -6.379   1.062  10.762
  832   1HB   PRO 381          1HB       PRO 381  -8.825   0.251   9.912
  833   2HB   PRO 381          2HB       PRO 381  -8.108   1.794   9.436
  834   1HG   PRO 381          1HG       PRO 381  -8.198  -0.795   7.932
  835   2HG   PRO 381          2HG       PRO 381  -8.501   0.850   7.342
  836   1HD   PRO 381          1HD       PRO 381  -6.148  -0.409   6.942
  837   2HD   PRO 381          2HD       PRO 381  -6.250   1.345   7.191
  838    H    ASP 382           H        ASP 382  -7.755  -0.131  12.299
  839    HA   ASP 382           HA       ASP 382  -6.719  -2.721  12.803
  840   1HB   ASP 382          1HB       ASP 382  -7.423  -1.182  14.600
  841   2HB   ASP 382          2HB       ASP 382  -9.095  -1.339  14.071
  842    H    ALA 383           H        ALA 383  -9.569  -1.534  11.210
  843    HA   ALA 383           HA       ALA 383 -11.265  -2.548  10.088
  844   1HB   ALA 383          1HB       ALA 383 -10.739  -4.847   9.157
  845   2HB   ALA 383          2HB       ALA 383  -9.173  -4.702   9.955
  846   3HB   ALA 383          3HB       ALA 383  -9.638  -3.544   8.708
  Start of MODEL    6
    1   1H    ARG   6          1H        ARG   6 -11.429   7.130   1.592
    2   2H    ARG   6          2H        ARG   6 -10.157   8.093   1.032
    3   3H    ARG   6          3H        ARG   6 -10.461   7.977   2.691
    4    HA   ARG   6           HA       ARG   6  -9.905   5.632   2.657
    5   1HB   ARG   6          1HB       ARG   6  -9.565   6.237  -0.256
    6   2HB   ARG   6          2HB       ARG   6  -8.609   4.963   0.489
    7   1HG   ARG   6          1HG       ARG   6 -11.614   5.094   0.570
    8   2HG   ARG   6          2HG       ARG   6 -10.683   4.168  -0.605
    9   1HD   ARG   6          1HD       ARG   6  -9.633   2.932   1.273
   10   2HD   ARG   6          2HD       ARG   6 -10.693   3.795   2.386
   11    HE   ARG   6           HE       ARG   6 -12.203   2.514   0.363
   12   1HH1  ARG   6          1HH1      ARG   6 -10.395   1.860   3.270
   13   2HH1  ARG   6          2HH1      ARG   6 -11.300   0.438   3.665
   14   1HH2  ARG   6          1HH2      ARG   6 -13.399   0.645   0.876
   15   2HH2  ARG   6          2HH2      ARG   6 -13.007  -0.255   2.303
   16    H    MET   7           H        MET   7  -8.132   5.554   3.847
   17    HA   MET   7           HA       MET   7  -5.798   7.150   3.030
   18   1HB   MET   7          1HB       MET   7  -7.272   7.762   5.184
   19   2HB   MET   7          2HB       MET   7  -6.224   6.552   5.912
   20   1HG   MET   7          1HG       MET   7  -4.273   7.841   5.046
   21   2HG   MET   7          2HG       MET   7  -5.401   9.099   4.553
   22   1HE   MET   7          1HE       MET   7  -3.621   7.285   7.494
   23   2HE   MET   7          2HE       MET   7  -5.292   6.795   7.777
   24   3HE   MET   7          3HE       MET   7  -4.488   7.885   8.908
   25    H    ASN   8           H        ASN   8  -4.091   6.226   5.057
   26    HA   ASN   8           HA       ASN   8  -2.642   4.558   5.566
   27   1HB   ASN   8          1HB       ASN   8  -4.931   2.697   4.897
   28   2HB   ASN   8          2HB       ASN   8  -3.494   2.292   5.829
   29   1HD2  ASN   8          1HD2      ASN   8  -3.470   4.872   7.203
   30   2HD2  ASN   8          2HD2      ASN   8  -4.742   4.800   8.368
   31    H    ILE   9           H        ILE   9  -4.405   2.637   3.178
   32    HA   ILE   9           HA       ILE   9  -1.954   2.148   1.741
   33    HB   ILE   9           HB       ILE   9  -4.769   1.227   1.149
   34   1HG1  ILE   9          1HG1      ILE   9  -2.447  -0.168   2.503
   35   2HG1  ILE   9          2HG1      ILE   9  -3.916   0.396   3.292
   36   1HG2  ILE   9          1HG2      ILE   9  -3.705  -0.426  -0.316
   37   2HG2  ILE   9          2HG2      ILE   9  -2.134   0.312  -0.001
   38   3HG2  ILE   9          3HG2      ILE   9  -3.381   1.222  -0.851
   39   1HD1  ILE   9          1HD1      ILE   9  -5.221  -1.197   1.984
   40   2HD1  ILE   9          2HD1      ILE   9  -3.977  -1.996   2.942
   41   3HD1  ILE   9          3HD1      ILE   9  -3.745  -1.767   1.210
   42    H    GLN  10           H        GLN  10  -5.029   3.801   1.089
   43    HA   GLN  10           HA       GLN  10  -4.676   4.435  -1.574
   44   1HB   GLN  10          1HB       GLN  10  -6.734   4.871  -0.251
   45   2HB   GLN  10          2HB       GLN  10  -5.914   6.213   0.535
   46   1HG   GLN  10          1HG       GLN  10  -7.246   7.166  -1.140
   47   2HG   GLN  10          2HG       GLN  10  -5.598   7.202  -1.762
   48   1HE2  GLN  10          1HE2      GLN  10  -8.114   7.298  -3.210
   49   2HE2  GLN  10          2HE2      GLN  10  -8.101   5.957  -4.299
   50    H    MET  11           H        MET  11  -3.377   6.035   1.285
   51    HA   MET  11           HA       MET  11  -2.303   8.307   0.043
   52   1HB   MET  11          1HB       MET  11  -2.504   8.060   2.485
   53   2HB   MET  11          2HB       MET  11  -1.272   6.806   2.460
   54   1HG   MET  11          1HG       MET  11   0.165   8.441   2.904
   55   2HG   MET  11          2HG       MET  11  -0.015   8.889   1.208
   56   1HE   MET  11          1HE       MET  11  -3.024   9.966   1.179
   57   2HE   MET  11          2HE       MET  11  -1.701  10.796   0.358
   58   3HE   MET  11          3HE       MET  11  -2.769  11.692   1.440
   59    H    LEU  12           H        LEU  12  -0.879   5.122   0.696
   60    HA   LEU  12           HA       LEU  12   1.675   5.634  -0.332
   61   1HB   LEU  12          1HB       LEU  12   0.222   2.991  -0.424
   62   2HB   LEU  12          2HB       LEU  12   1.958   3.245  -0.429
   63    HG   LEU  12           HG       LEU  12   0.137   3.908   1.886
   64   1HD1  LEU  12          1HD1      LEU  12   1.093   1.947   2.966
   65   2HD1  LEU  12          2HD1      LEU  12   2.010   1.576   1.506
   66   3HD1  LEU  12          3HD1      LEU  12   0.248   1.501   1.483
   67   1HD2  LEU  12          1HD2      LEU  12   2.139   5.293   1.807
   68   2HD2  LEU  12          2HD2      LEU  12   3.145   3.853   1.661
   69   3HD2  LEU  12          3HD2      LEU  12   2.226   4.141   3.139
   70    H    LEU  13           H        LEU  13  -1.315   4.620  -1.888
   71    HA   LEU  13           HA       LEU  13  -0.272   3.965  -4.407
   72   1HB   LEU  13          1HB       LEU  13  -2.938   4.747  -3.359
   73   2HB   LEU  13          2HB       LEU  13  -2.696   4.872  -5.091
   74    HG   LEU  13           HG       LEU  13  -3.729   2.743  -4.468
   75   1HD1  LEU  13          1HD1      LEU  13  -2.220   1.265  -5.680
   76   2HD1  LEU  13          2HD1      LEU  13  -0.908   2.426  -5.481
   77   3HD1  LEU  13          3HD1      LEU  13  -2.316   2.847  -6.455
   78   1HD2  LEU  13          1HD2      LEU  13  -2.421   1.061  -3.244
   79   2HD2  LEU  13          2HD2      LEU  13  -2.799   2.468  -2.250
   80   3HD2  LEU  13          3HD2      LEU  13  -1.181   2.274  -2.926
   81    H    GLU  14           H        GLU  14  -1.705   7.023  -3.270
   82    HA   GLU  14           HA       GLU  14  -1.316   8.515  -5.583
   83   1HB   GLU  14          1HB       GLU  14  -2.659   9.290  -3.682
   84   2HB   GLU  14          2HB       GLU  14  -1.203   9.459  -2.712
   85   1HG   GLU  14          1HG       GLU  14  -0.383  11.171  -4.271
   86   2HG   GLU  14          2HG       GLU  14  -1.878  11.023  -5.194
   87    H    ALA  15           H        ALA  15   0.865   7.993  -2.842
   88    HA   ALA  15           HA       ALA  15   2.913   9.732  -3.588
   89   1HB   ALA  15          1HB       ALA  15   4.352   8.410  -2.139
   90   2HB   ALA  15          2HB       ALA  15   3.169   7.103  -2.135
   91   3HB   ALA  15          3HB       ALA  15   2.771   8.653  -1.395
   92    H    ALA  16           H        ALA  16   2.591   6.250  -4.295
   93    HA   ALA  16           HA       ALA  16   4.941   6.007  -5.803
   94   1HB   ALA  16          1HB       ALA  16   4.018   3.918  -6.617
   95   2HB   ALA  16          2HB       ALA  16   2.410   4.388  -6.064
   96   3HB   ALA  16          3HB       ALA  16   3.697   4.096  -4.892
   97    H    ASP  17           H        ASP  17   1.585   6.519  -6.890
   98    HA   ASP  17           HA       ASP  17   2.184   6.635  -9.639
   99   1HB   ASP  17          1HB       ASP  17  -0.127   7.739  -8.043
  100   2HB   ASP  17          2HB       ASP  17  -0.044   7.825  -9.800
  101    H    TYR  18           H        TYR  18   2.572   8.923  -7.101
  102    HA   TYR  18           HA       TYR  18   2.581  11.273  -8.728
  103   1HB   TYR  18          1HB       TYR  18   2.095  11.474  -6.373
  104   2HB   TYR  18          2HB       TYR  18   3.634  10.736  -5.946
  105    HD1  TYR  18           HD1      TYR  18   1.981  13.788  -7.114
  106    HD2  TYR  18           HD2      TYR  18   5.703  12.007  -6.065
  107    HE1  TYR  18           HE1      TYR  18   3.010  16.019  -7.000
  108    HE2  TYR  18           HE2      TYR  18   6.740  14.234  -5.945
  109    HH   TYR  18           HH       TYR  18   4.946  17.103  -5.909
  110    H    LEU  19           H        LEU  19   5.199   9.522  -7.056
  111    HA   LEU  19           HA       LEU  19   7.324  10.924  -8.203
  112   1HB   LEU  19          1HB       LEU  19   7.398   8.022  -7.400
  113   2HB   LEU  19          2HB       LEU  19   8.733   9.157  -7.425
  114    HG   LEU  19           HG       LEU  19   6.366   9.419  -5.575
  115   1HD1  LEU  19          1HD1      LEU  19   7.763   8.489  -3.837
  116   2HD1  LEU  19          2HD1      LEU  19   9.086   8.264  -4.980
  117   3HD1  LEU  19          3HD1      LEU  19   7.600   7.329  -5.154
  118   1HD2  LEU  19          1HD2      LEU  19   7.808  10.958  -4.365
  119   2HD2  LEU  19          2HD2      LEU  19   7.601  11.489  -6.034
  120   3HD2  LEU  19          3HD2      LEU  19   9.098  10.699  -5.540
  121    H    GLU  20           H        GLU  20   5.748   7.918  -9.228
  122    HA   GLU  20           HA       GLU  20   7.412   7.330 -11.399
  123   1HB   GLU  20          1HB       GLU  20   5.685   5.822 -10.351
  124   2HB   GLU  20          2HB       GLU  20   4.457   6.731 -11.217
  125   1HG   GLU  20          1HG       GLU  20   6.737   5.347 -12.596
  126   2HG   GLU  20          2HG       GLU  20   5.197   4.561 -12.259
  127    H    ARG  21           H        ARG  21   4.228   8.944 -11.416
  128    HA   ARG  21           HA       ARG  21   4.437   9.702 -14.157
  129   1HB   ARG  21          1HB       ARG  21   2.275   9.355 -13.008
  130   2HB   ARG  21          2HB       ARG  21   2.593  10.764 -12.008
  131   1HG   ARG  21          1HG       ARG  21   1.103  11.442 -13.715
  132   2HG   ARG  21          2HG       ARG  21   2.681  12.124 -14.110
  133   1HD   ARG  21          1HD       ARG  21   1.700   9.525 -15.262
  134   2HD   ARG  21          2HD       ARG  21   1.378  11.082 -16.023
  135    HE   ARG  21           HE       ARG  21   4.072  11.073 -15.670
  136   1HH1  ARG  21          1HH1      ARG  21   1.819   8.888 -17.182
  137   2HH1  ARG  21          2HH1      ARG  21   2.958   8.323 -18.359
  138   1HH2  ARG  21          1HH2      ARG  21   5.578  10.336 -17.210
  139   2HH2  ARG  21          2HH2      ARG  21   5.097   9.146 -18.374
  140   1H    SER 295          1H        SER 295 -14.436   9.560  -1.419
  141   2H    SER 295          2H        SER 295 -16.001  10.151  -1.172
  142   3H    SER 295          3H        SER 295 -15.104   9.565   0.136
  143    HA   SER 295           HA       SER 295 -14.475  11.967  -1.476
  144   1HB   SER 295          1HB       SER 295 -15.402  11.711   1.398
  145   2HB   SER 295          2HB       SER 295 -15.004  13.217   0.571
  146    HG   SER 295           HG       SER 295 -16.925  13.213  -0.258
  147    H    LEU 296           H        LEU 296 -12.889  13.358  -0.124
  148    HA   LEU 296           HA       LEU 296 -10.900  11.722   1.256
  149   1HB   LEU 296          1HB       LEU 296 -10.238  11.734  -1.108
  150   2HB   LEU 296          2HB       LEU 296 -10.259  13.488  -1.107
  151    HG   LEU 296           HG       LEU 296  -8.437  13.456   0.600
  152   1HD1  LEU 296          1HD1      LEU 296  -7.192  11.384   0.935
  153   2HD1  LEU 296          2HD1      LEU 296  -8.386  10.508  -0.023
  154   3HD1  LEU 296          3HD1      LEU 296  -8.852  11.235   1.514
  155   1HD2  LEU 296          1HD2      LEU 296  -7.920  13.799  -1.743
  156   2HD2  LEU 296          2HD2      LEU 296  -7.878  12.057  -2.013
  157   3HD2  LEU 296          3HD2      LEU 296  -6.667  12.819  -0.982
  158    H    GLN 297           H        GLN 297 -10.676  12.697   3.149
  159    HA   GLN 297           HA       GLN 297 -11.164  15.511   3.492
  160   1HB   GLN 297          1HB       GLN 297 -11.828  13.922   5.225
  161   2HB   GLN 297          2HB       GLN 297 -10.157  13.417   5.428
  162   1HG   GLN 297          1HG       GLN 297  -9.621  15.761   6.109
  163   2HG   GLN 297          2HG       GLN 297 -11.349  16.094   6.093
  164   1HE2  GLN 297          1HE2      GLN 297 -12.010  13.407   7.068
  165   2HE2  GLN 297          2HE2      GLN 297 -11.620  13.409   8.750
  166    H    ASN 298           H        ASN 298  -9.687  17.098   4.083
  167    HA   ASN 298           HA       ASN 298  -7.016  16.720   3.067
  168   1HB   ASN 298          1HB       ASN 298  -8.243  19.141   4.409
  169   2HB   ASN 298          2HB       ASN 298  -6.733  19.110   3.502
  170   1HD2  ASN 298          1HD2      ASN 298  -6.801  18.852   1.252
  171   2HD2  ASN 298          2HD2      ASN 298  -8.237  19.183   0.350
  172    H    ASN 299           H        ASN 299  -5.433  15.882   4.255
  173    HA   ASN 299           HA       ASN 299  -5.490  16.290   7.171
  174   1HB   ASN 299          1HB       ASN 299  -4.024  14.265   7.272
  175   2HB   ASN 299          2HB       ASN 299  -5.632  13.951   6.625
  176   1HD2  ASN 299          1HD2      ASN 299  -5.874  13.492   4.440
  177   2HD2  ASN 299          2HD2      ASN 299  -4.541  13.019   3.449
  178    H    GLN 300           H        GLN 300  -3.097  15.938   8.054
  179    HA   GLN 300           HA       GLN 300  -1.649  18.229   7.279
  180   1HB   GLN 300          1HB       GLN 300  -0.697  15.865   8.908
  181   2HB   GLN 300          2HB       GLN 300   0.059  17.450   8.847
  182   1HG   GLN 300          1HG       GLN 300  -1.791  18.463   9.925
  183   2HG   GLN 300          2HG       GLN 300  -2.747  16.986   9.810
  184   1HE2  GLN 300          1HE2      GLN 300  -0.155  18.614  11.447
  185   2HE2  GLN 300          2HE2      GLN 300  -0.021  17.511  12.769
  186    HA   PRO 301           HA       PRO 301   0.857  16.691   3.967
  187   1HB   PRO 301          1HB       PRO 301   3.009  18.312   4.135
  188   2HB   PRO 301          2HB       PRO 301   1.428  18.897   3.602
  189   1HG   PRO 301          1HG       PRO 301   2.717  19.116   6.297
  190   2HG   PRO 301          2HG       PRO 301   1.837  20.351   5.376
  191   1HD   PRO 301          1HD       PRO 301   0.704  18.937   7.398
  192   2HD   PRO 301          2HD       PRO 301  -0.221  19.532   6.004
  193    H    VAL 302           H        VAL 302   1.539  16.114   7.131
  194    HA   VAL 302           HA       VAL 302   4.245  15.212   6.959
  195    HB   VAL 302           HB       VAL 302   2.160  14.482   9.021
  196   1HG1  VAL 302          1HG1      VAL 302   4.099  13.010   9.044
  197   2HG1  VAL 302          2HG1      VAL 302   4.091  14.051  10.468
  198   3HG1  VAL 302          3HG1      VAL 302   5.174  14.407   9.122
  199   1HG2  VAL 302          1HG2      VAL 302   2.408  16.906   8.835
  200   2HG2  VAL 302          2HG2      VAL 302   4.155  16.747   9.023
  201   3HG2  VAL 302          3HG2      VAL 302   3.081  16.314  10.354
  202    H    GLU 303           H        GLU 303   1.083  13.596   6.936
  203    HA   GLU 303           HA       GLU 303   1.983  10.955   6.848
  204   1HB   GLU 303          1HB       GLU 303  -0.510  12.235   5.739
  205   2HB   GLU 303          2HB       GLU 303  -0.236  10.498   5.728
  206   1HG   GLU 303          1HG       GLU 303  -0.395  12.269   8.155
  207   2HG   GLU 303          2HG       GLU 303  -1.610  11.119   7.604
  208    H    PHE 304           H        PHE 304   1.490  13.306   4.276
  209    HA   PHE 304           HA       PHE 304   1.848  11.570   2.089
  210   1HB   PHE 304          1HB       PHE 304   0.898  13.880   1.971
  211   2HB   PHE 304          2HB       PHE 304   2.519  14.517   2.230
  212    HD1  PHE 304           HD1      PHE 304   3.684  15.180   0.376
  213    HD2  PHE 304           HD2      PHE 304   0.777  12.098  -0.016
  214    HE1  PHE 304           HE1      PHE 304   4.093  15.108  -2.049
  215    HE2  PHE 304           HE2      PHE 304   1.182  12.019  -2.442
  216    HZ   PHE 304           HZ       PHE 304   2.840  13.526  -3.462
  217    H    ASN 305           H        ASN 305   4.113  13.477   4.011
  218    HA   ASN 305           HA       ASN 305   6.406  13.020   2.446
  219   1HB   ASN 305          1HB       ASN 305   6.313  14.764   4.168
  220   2HB   ASN 305          2HB       ASN 305   6.199  13.532   5.422
  221   1HD2  ASN 305          1HD2      ASN 305   8.012  12.256   5.884
  222   2HD2  ASN 305          2HD2      ASN 305   9.603  12.748   5.428
  223    H    HIS 306           H        HIS 306   5.123  11.305   5.284
  224    HA   HIS 306           HA       HIS 306   7.182   9.374   5.406
  225   1HB   HIS 306          1HB       HIS 306   4.357   9.412   6.458
  226   2HB   HIS 306          2HB       HIS 306   5.435   8.044   6.719
  227    HD1  HIS 306           HD1      HIS 306   4.307  10.897   8.425
  228    HD2  HIS 306           HD2      HIS 306   8.052   9.176   7.892
  229    HE1  HIS 306           HE1      HIS 306   5.726  11.779  10.303
  230    HE2  HIS 306           HE2      HIS 306   7.968  10.669  10.001
  231    H    ALA 307           H        ALA 307   4.251   9.612   3.530
  232    HA   ALA 307           HA       ALA 307   4.046   6.913   2.727
  233   1HB   ALA 307          1HB       ALA 307   2.220   8.534   2.474
  234   2HB   ALA 307          2HB       ALA 307   2.605   7.736   0.948
  235   3HB   ALA 307          3HB       ALA 307   3.155   9.386   1.245
  236    H    ILE 308           H        ILE 308   5.500   9.735   1.101
  237    HA   ILE 308           HA       ILE 308   6.525   8.262  -1.090
  238    HB   ILE 308           HB       ILE 308   7.357  10.943   0.025
  239   1HG1  ILE 308          1HG1      ILE 308   5.655  10.194  -2.365
  240   2HG1  ILE 308          2HG1      ILE 308   5.048  10.815  -0.834
  241   1HG2  ILE 308          1HG2      ILE 308   9.214  10.015  -1.207
  242   2HG2  ILE 308          2HG2      ILE 308   8.463  11.295  -2.159
  243   3HG2  ILE 308          3HG2      ILE 308   8.156   9.606  -2.557
  244   1HD1  ILE 308          1HD1      ILE 308   6.867  12.297  -2.719
  245   2HD1  ILE 308          2HD1      ILE 308   6.196  12.918  -1.211
  246   3HD1  ILE 308          3HD1      ILE 308   5.127  12.535  -2.562
  247    H    ASN 309           H        ASN 309   7.842   9.139   2.053
  248    HA   ASN 309           HA       ASN 309  10.518   8.402   1.561
  249   1HB   ASN 309          1HB       ASN 309   9.799   9.779   3.488
  250   2HB   ASN 309          2HB       ASN 309   9.013   8.367   4.187
  251   1HD2  ASN 309          1HD2      ASN 309  12.030   9.921   3.490
  252   2HD2  ASN 309          2HD2      ASN 309  13.021   8.892   4.461
  253    H    TYR 310           H        TYR 310   7.725   6.582   2.709
  254    HA   TYR 310           HA       TYR 310   9.143   4.202   3.326
  255   1HB   TYR 310          1HB       TYR 310   6.955   4.656   4.296
  256   2HB   TYR 310          2HB       TYR 310   6.217   4.652   2.699
  257    HD1  TYR 310           HD1      TYR 310   5.260   2.699   1.895
  258    HD2  TYR 310           HD2      TYR 310   8.150   2.444   5.007
  259    HE1  TYR 310           HE1      TYR 310   4.814   0.290   2.101
  260    HE2  TYR 310           HE2      TYR 310   7.714   0.033   5.221
  261    HH   TYR 310           HH       TYR 310   5.981  -1.735   2.920
  262    H    VAL 311           H        VAL 311   7.048   5.053   0.569
  263    HA   VAL 311           HA       VAL 311   7.470   2.733  -0.923
  264    HB   VAL 311           HB       VAL 311   6.902   5.519  -1.951
  265   1HG1  VAL 311          1HG1      VAL 311   6.550   2.825  -3.260
  266   2HG1  VAL 311          2HG1      VAL 311   7.685   4.087  -3.736
  267   3HG1  VAL 311          3HG1      VAL 311   5.950   4.352  -3.906
  268   1HG2  VAL 311          1HG2      VAL 311   4.558   4.819  -1.937
  269   2HG2  VAL 311          2HG2      VAL 311   5.253   4.762  -0.317
  270   3HG2  VAL 311          3HG2      VAL 311   5.022   3.271  -1.229
  271    H    ASN 312           H        ASN 312   9.345   5.706  -0.717
  272    HA   ASN 312           HA       ASN 312  11.082   5.107  -2.895
  273   1HB   ASN 312          1HB       ASN 312  10.774   7.408  -2.085
  274   2HB   ASN 312          2HB       ASN 312  11.497   6.966  -0.541
  275   1HD2  ASN 312          1HD2      ASN 312  13.709   6.610  -0.417
  276   2HD2  ASN 312          2HD2      ASN 312  14.795   7.127  -1.658
  277    H    LYS 313           H        LYS 313  11.152   4.512   0.570
  278    HA   LYS 313           HA       LYS 313  13.816   3.646   0.776
  279   1HB   LYS 313          1HB       LYS 313  12.410   4.186   2.726
  280   2HB   LYS 313          2HB       LYS 313  11.414   2.774   2.397
  281   1HG   LYS 313          1HG       LYS 313  13.330   1.320   2.800
  282   2HG   LYS 313          2HG       LYS 313  14.337   2.734   3.119
  283   1HD   LYS 313          1HD       LYS 313  12.913   3.322   5.019
  284   2HD   LYS 313          2HD       LYS 313  11.892   1.919   4.692
  285   1HE   LYS 313          1HE       LYS 313  13.473   1.477   6.506
  286   2HE   LYS 313          2HE       LYS 313  13.772   0.433   5.117
  287   1HZ   LYS 313          1HZ       LYS 313  15.287   2.901   5.781
  288   2HZ   LYS 313          2HZ       LYS 313  15.578   1.894   4.453
  289   3HZ   LYS 313          3HZ       LYS 313  15.829   1.315   6.021
  290    H    ILE 314           H        ILE 314  10.819   1.887   0.093
  291    HA   ILE 314           HA       ILE 314  12.065  -0.672  -0.070
  292    HB   ILE 314           HB       ILE 314   9.402   0.300  -1.108
  293   1HG1  ILE 314          1HG1      ILE 314  10.104  -1.399   1.294
  294   2HG1  ILE 314          2HG1      ILE 314   9.693   0.311   1.355
  295   1HG2  ILE 314          1HG2      ILE 314   8.821  -2.097  -1.313
  296   2HG2  ILE 314          2HG2      ILE 314  10.505  -2.503  -0.981
  297   3HG2  ILE 314          3HG2      ILE 314  10.086  -1.594  -2.433
  298   1HD1  ILE 314          1HD1      ILE 314   7.829  -1.167   1.982
  299   2HD1  ILE 314          2HD1      ILE 314   7.860  -1.856   0.359
  300   3HD1  ILE 314          3HD1      ILE 314   7.463  -0.153   0.587
  301    H    LYS 315           H        LYS 315  11.241   1.833  -2.405
  302    HA   LYS 315           HA       LYS 315  11.763   0.329  -4.738
  303   1HB   LYS 315          1HB       LYS 315  10.474   2.444  -4.702
  304   2HB   LYS 315          2HB       LYS 315  11.956   3.320  -4.342
  305   1HG   LYS 315          1HG       LYS 315  12.888   2.733  -6.475
  306   2HG   LYS 315          2HG       LYS 315  11.516   1.680  -6.827
  307   1HD   LYS 315          1HD       LYS 315  11.273   3.789  -8.003
  308   2HD   LYS 315          2HD       LYS 315  10.022   3.638  -6.768
  309   1HE   LYS 315          1HE       LYS 315  10.978   5.890  -6.809
  310   2HE   LYS 315          2HE       LYS 315  11.300   5.079  -5.278
  311   1HZ   LYS 315          1HZ       LYS 315  13.529   4.568  -6.059
  312   2HZ   LYS 315          2HZ       LYS 315  13.254   6.237  -6.098
  313   3HZ   LYS 315          3HZ       LYS 315  13.218   5.342  -7.532
  314    H    ASN 316           H        ASN 316  13.804   2.277  -2.638
  315    HA   ASN 316           HA       ASN 316  16.104   2.061  -4.367
  316   1HB   ASN 316          1HB       ASN 316  15.523   3.331  -1.730
  317   2HB   ASN 316          2HB       ASN 316  17.202   2.979  -2.129
  318   1HD2  ASN 316          1HD2      ASN 316  14.381   4.830  -2.967
  319   2HD2  ASN 316          2HD2      ASN 316  15.182   5.964  -3.995
  320    H    ARG 317           H        ARG 317  14.869   0.470  -1.497
  321    HA   ARG 317           HA       ARG 317  17.207  -0.950  -0.806
  322   1HB   ARG 317          1HB       ARG 317  15.339  -0.686   0.746
  323   2HB   ARG 317          2HB       ARG 317  14.305  -1.637  -0.310
  324   1HG   ARG 317          1HG       ARG 317  14.958  -3.067   1.440
  325   2HG   ARG 317          2HG       ARG 317  15.909  -3.551   0.035
  326   1HD   ARG 317          1HD       ARG 317  16.923  -1.667   2.154
  327   2HD   ARG 317          2HD       ARG 317  17.164  -3.411   2.217
  328    HE   ARG 317           HE       ARG 317  18.056  -2.459  -0.267
  329   1HH1  ARG 317          1HH1      ARG 317  18.906  -2.329   3.112
  330   2HH1  ARG 317          2HH1      ARG 317  20.599  -2.126   2.809
  331   1HH2  ARG 317          1HH2      ARG 317  20.283  -2.192  -0.671
  332   2HH2  ARG 317          2HH2      ARG 317  21.380  -2.044   0.662
  333    H    PHE 318           H        PHE 318  14.438  -1.776  -2.852
  334    HA   PHE 318           HA       PHE 318  15.840  -4.207  -3.715
  335   1HB   PHE 318          1HB       PHE 318  12.941  -3.408  -4.037
  336   2HB   PHE 318          2HB       PHE 318  13.646  -4.910  -4.625
  337    HD1  PHE 318           HD1      PHE 318  12.454  -3.083  -1.717
  338    HD2  PHE 318           HD2      PHE 318  14.345  -6.651  -3.061
  339    HE1  PHE 318           HE1      PHE 318  12.002  -4.138   0.459
  340    HE2  PHE 318           HE2      PHE 318  13.895  -7.713  -0.889
  341    HZ   PHE 318           HZ       PHE 318  12.722  -6.457   0.874
  342    H    GLN 319           H        GLN 319  16.674  -1.638  -4.638
  343    HA   GLN 319           HA       GLN 319  15.645  -0.885  -7.113
  344   1HB   GLN 319          1HB       GLN 319  17.260   0.471  -5.866
  345   2HB   GLN 319          2HB       GLN 319  18.505  -0.738  -6.141
  346   1HG   GLN 319          1HG       GLN 319  18.756   1.167  -7.633
  347   2HG   GLN 319          2HG       GLN 319  18.424  -0.314  -8.528
  348   1HE2  GLN 319          1HE2      GLN 319  15.981   1.458  -6.772
  349   2HE2  GLN 319          2HE2      GLN 319  15.109   2.011  -8.156
  350    H    GLY 320           H        GLY 320  17.873  -3.459  -6.259
  351   1HA   GLY 320          1HA       GLY 320  18.532  -4.061  -9.009
  352   2HA   GLY 320          2HA       GLY 320  19.012  -4.983  -7.592
  353    H    GLN 321           H        GLN 321  16.028  -4.897  -6.831
  354    HA   GLN 321           HA       GLN 321  15.197  -7.108  -8.594
  355   1HB   GLN 321          1HB       GLN 321  14.667  -6.688  -5.650
  356   2HB   GLN 321          2HB       GLN 321  13.898  -7.939  -6.618
  357   1HG   GLN 321          1HG       GLN 321  16.870  -7.677  -6.215
  358   2HG   GLN 321          2HG       GLN 321  15.818  -8.743  -5.283
  359   1HE2  GLN 321          1HE2      GLN 321  14.938 -10.560  -6.267
  360   2HE2  GLN 321          2HE2      GLN 321  15.544 -11.185  -7.760
  361    HA   PRO 322           HA       PRO 322  11.994  -3.897  -9.232
  362   1HB   PRO 322          1HB       PRO 322  11.330  -4.642 -11.738
  363   2HB   PRO 322          2HB       PRO 322  12.755  -3.653 -11.393
  364   1HG   PRO 322          1HG       PRO 322  12.574  -6.597 -11.908
  365   2HG   PRO 322          2HG       PRO 322  13.744  -5.423 -12.536
  366   1HD   PRO 322          1HD       PRO 322  14.284  -7.075 -10.446
  367   2HD   PRO 322          2HD       PRO 322  15.003  -5.461 -10.611
  368    H    ASP 323           H        ASP 323  11.910  -7.353  -9.382
  369    HA   ASP 323           HA       ASP 323   9.162  -7.727  -9.896
  370   1HB   ASP 323          1HB       ASP 323   9.499  -9.984  -8.926
  371   2HB   ASP 323          2HB       ASP 323  10.731  -9.568 -10.115
  372    H    ILE 324           H        ILE 324  10.974  -7.212  -6.916
  373    HA   ILE 324           HA       ILE 324   8.843  -7.738  -5.130
  374    HB   ILE 324           HB       ILE 324  11.261  -5.975  -4.716
  375   1HG1  ILE 324          1HG1      ILE 324  11.868  -8.275  -5.322
  376   2HG1  ILE 324          2HG1      ILE 324  12.256  -7.947  -3.637
  377   1HG2  ILE 324          1HG2      ILE 324  10.865  -6.395  -2.316
  378   2HG2  ILE 324          2HG2      ILE 324   9.360  -7.213  -2.730
  379   3HG2  ILE 324          3HG2      ILE 324   9.553  -5.495  -3.077
  380   1HD1  ILE 324          1HD1      ILE 324  10.249  -9.140  -2.940
  381   2HD1  ILE 324          2HD1      ILE 324  11.303 -10.163  -3.916
  382   3HD1  ILE 324          3HD1      ILE 324   9.850  -9.460  -4.627
  383    H    TYR 325           H        TYR 325  10.081  -4.738  -6.561
  384    HA   TYR 325           HA       TYR 325   8.385  -2.950  -5.230
  385   1HB   TYR 325          1HB       TYR 325  10.410  -2.329  -6.550
  386   2HB   TYR 325          2HB       TYR 325   9.512  -2.672  -8.024
  387    HD1  TYR 325           HD1      TYR 325   9.202  -0.607  -4.919
  388    HD2  TYR 325           HD2      TYR 325   8.506  -0.901  -9.106
  389    HE1  TYR 325           HE1      TYR 325   8.381   1.712  -4.939
  390    HE2  TYR 325           HE2      TYR 325   7.683   1.416  -9.137
  391    HH   TYR 325           HH       TYR 325   6.711   3.048  -7.565
  392    H    LYS 326           H        LYS 326   8.042  -4.424  -8.455
  393    HA   LYS 326           HA       LYS 326   5.522  -3.331  -9.039
  394   1HB   LYS 326          1HB       LYS 326   6.786  -5.895 -10.023
  395   2HB   LYS 326          2HB       LYS 326   5.357  -5.148 -10.723
  396   1HG   LYS 326          1HG       LYS 326   8.047  -3.809 -10.556
  397   2HG   LYS 326          2HG       LYS 326   7.463  -4.701 -11.963
  398   1HD   LYS 326          1HD       LYS 326   5.579  -3.167 -12.169
  399   2HD   LYS 326          2HD       LYS 326   6.118  -2.293 -10.734
  400   1HE   LYS 326          1HE       LYS 326   8.166  -1.651 -11.864
  401   2HE   LYS 326          2HE       LYS 326   7.705  -2.592 -13.280
  402   1HZ   LYS 326          1HZ       LYS 326   7.252  -0.224 -13.560
  403   2HZ   LYS 326          2HZ       LYS 326   6.212  -0.252 -12.227
  404   3HZ   LYS 326          3HZ       LYS 326   5.827  -1.133 -13.617
  405    H    ALA 327           H        ALA 327   6.477  -6.213  -7.281
  406    HA   ALA 327           HA       ALA 327   3.972  -7.490  -7.193
  407   1HB   ALA 327          1HB       ALA 327   4.876  -8.771  -5.337
  408   2HB   ALA 327          2HB       ALA 327   6.195  -7.614  -5.160
  409   3HB   ALA 327          3HB       ALA 327   6.080  -8.603  -6.615
  410    H    PHE 328           H        PHE 328   5.556  -5.389  -4.793
  411    HA   PHE 328           HA       PHE 328   3.488  -5.318  -2.931
  412   1HB   PHE 328          1HB       PHE 328   5.793  -4.475  -2.543
  413   2HB   PHE 328          2HB       PHE 328   5.440  -3.098  -3.580
  414    HD1  PHE 328           HD1      PHE 328   3.405  -4.716  -0.903
  415    HD2  PHE 328           HD2      PHE 328   5.450  -1.230  -2.239
  416    HE1  PHE 328           HE1      PHE 328   2.565  -3.479   1.050
  417    HE2  PHE 328           HE2      PHE 328   4.611   0.013  -0.291
  418    HZ   PHE 328           HZ       PHE 328   3.168  -1.111   1.358
  419    H    LEU 329           H        LEU 329   4.183  -3.036  -5.582
  420    HA   LEU 329           HA       LEU 329   1.992  -1.348  -5.166
  421   1HB   LEU 329          1HB       LEU 329   3.452  -2.036  -7.713
  422   2HB   LEU 329          2HB       LEU 329   2.267  -0.752  -7.584
  423    HG   LEU 329           HG       LEU 329   4.911  -0.889  -6.133
  424   1HD1  LEU 329          1HD1      LEU 329   5.166  -0.364  -8.476
  425   2HD1  LEU 329          2HD1      LEU 329   5.442   1.083  -7.507
  426   3HD1  LEU 329          3HD1      LEU 329   3.915   0.874  -8.363
  427   1HD2  LEU 329          1HD2      LEU 329   2.732   1.197  -6.049
  428   2HD2  LEU 329          2HD2      LEU 329   4.351   1.397  -5.379
  429   3HD2  LEU 329          3HD2      LEU 329   3.268   0.174  -4.716
  430    H    GLU 330           H        GLU 330   2.260  -4.392  -6.898
  431    HA   GLU 330           HA       GLU 330  -0.246  -4.284  -8.200
  432   1HB   GLU 330          1HB       GLU 330   1.527  -5.832  -8.887
  433   2HB   GLU 330          2HB       GLU 330   1.384  -6.686  -7.357
  434   1HG   GLU 330          1HG       GLU 330   0.270  -7.888  -9.150
  435   2HG   GLU 330          2HG       GLU 330  -0.881  -7.361  -7.923
  436    H    ILE 331           H        ILE 331   0.778  -5.487  -5.049
  437    HA   ILE 331           HA       ILE 331  -1.645  -6.748  -4.343
  438    HB   ILE 331           HB       ILE 331   0.480  -5.546  -2.563
  439   1HG1  ILE 331          1HG1      ILE 331   0.002  -8.418  -3.388
  440   2HG1  ILE 331          2HG1      ILE 331   1.225  -7.368  -4.091
  441   1HG2  ILE 331          1HG2      ILE 331  -1.775  -7.434  -1.891
  442   2HG2  ILE 331          2HG2      ILE 331  -1.608  -5.764  -1.350
  443   3HG2  ILE 331          3HG2      ILE 331  -0.462  -6.986  -0.803
  444   1HD1  ILE 331          1HD1      ILE 331   1.092  -8.269  -1.224
  445   2HD1  ILE 331          2HD1      ILE 331   2.306  -7.183  -1.902
  446   3HD1  ILE 331          3HD1      ILE 331   2.207  -8.854  -2.459
  447    H    LEU 332           H        LEU 332  -0.378  -3.507  -3.566
  448    HA   LEU 332           HA       LEU 332  -2.672  -2.680  -2.131
  449   1HB   LEU 332          1HB       LEU 332  -0.825  -0.819  -3.600
  450   2HB   LEU 332          2HB       LEU 332  -1.740  -0.509  -2.139
  451    HG   LEU 332           HG       LEU 332   0.703  -2.256  -2.407
  452   1HD1  LEU 332          1HD1      LEU 332   1.653  -0.620  -0.825
  453   2HD1  LEU 332          2HD1      LEU 332   0.173   0.330  -0.955
  454   3HD1  LEU 332          3HD1      LEU 332   1.203   0.101  -2.369
  455   1HD2  LEU 332          1HD2      LEU 332   0.525  -2.620  -0.001
  456   2HD2  LEU 332          2HD2      LEU 332  -0.878  -3.275  -0.847
  457   3HD2  LEU 332          3HD2      LEU 332  -1.009  -1.748   0.026
  458    H    HIS 333           H        HIS 333  -1.807  -2.572  -5.527
  459    HA   HIS 333           HA       HIS 333  -3.820  -0.767  -6.359
  460   1HB   HIS 333          1HB       HIS 333  -1.689  -1.829  -7.594
  461   2HB   HIS 333          2HB       HIS 333  -2.934  -2.896  -8.233
  462    HD1  HIS 333           HD1      HIS 333  -4.945  -1.639  -9.523
  463    HD2  HIS 333           HD2      HIS 333  -1.511   0.592  -8.819
  464    HE1  HIS 333           HE1      HIS 333  -5.094   0.332 -11.078
  465    HE2  HIS 333           HE2      HIS 333  -3.026   1.690 -10.607
  466    H    THR 334           H        THR 334  -3.666  -4.319  -6.394
  467    HA   THR 334           HA       THR 334  -6.224  -4.766  -7.450
  468    HB   THR 334           HB       THR 334  -4.723  -6.558  -5.528
  469    HG1  THR 334           HG1      THR 334  -4.267  -7.494  -7.830
  470   1HG2  THR 334          1HG2      THR 334  -6.773  -7.224  -7.645
  471   2HG2  THR 334          2HG2      THR 334  -7.087  -7.171  -5.911
  472   3HG2  THR 334          3HG2      THR 334  -5.967  -8.365  -6.569
  473    H    TYR 335           H        TYR 335  -5.097  -4.437  -4.112
  474    HA   TYR 335           HA       TYR 335  -7.494  -5.074  -2.813
  475   1HB   TYR 335          1HB       TYR 335  -5.362  -4.922  -1.632
  476   2HB   TYR 335          2HB       TYR 335  -5.281  -3.196  -1.959
  477    HD1  TYR 335           HD1      TYR 335  -7.232  -5.783  -0.147
  478    HD2  TYR 335           HD2      TYR 335  -6.285  -1.650  -0.498
  479    HE1  TYR 335           HE1      TYR 335  -8.418  -5.339   1.962
  480    HE2  TYR 335           HE2      TYR 335  -7.465  -1.193   1.611
  481    HH   TYR 335           HH       TYR 335  -9.275  -2.246   2.973
  482    H    GLN 336           H        GLN 336  -6.211  -1.918  -3.822
  483    HA   GLN 336           HA       GLN 336  -8.397  -0.394  -2.900
  484   1HB   GLN 336          1HB       GLN 336  -6.143   0.514  -3.440
  485   2HB   GLN 336          2HB       GLN 336  -6.480   0.257  -5.145
  486   1HG   GLN 336          1HG       GLN 336  -8.254   1.967  -3.441
  487   2HG   GLN 336          2HG       GLN 336  -6.790   2.606  -4.186
  488   1HE2  GLN 336          1HE2      GLN 336  -7.077   0.878  -6.536
  489   2HE2  GLN 336          2HE2      GLN 336  -8.341   1.575  -7.484
  490    H    LYS 337           H        LYS 337  -7.797  -2.112  -5.896
  491    HA   LYS 337           HA       LYS 337  -9.813  -0.897  -7.450
  492   1HB   LYS 337          1HB       LYS 337  -8.015  -2.209  -8.444
  493   2HB   LYS 337          2HB       LYS 337  -8.627  -3.665  -7.672
  494   1HG   LYS 337          1HG       LYS 337 -10.666  -3.529  -8.986
  495   2HG   LYS 337          2HG       LYS 337 -10.102  -2.032  -9.728
  496   1HD   LYS 337          1HD       LYS 337  -8.641  -4.661  -9.925
  497   2HD   LYS 337          2HD       LYS 337  -9.787  -4.079 -11.134
  498   1HE   LYS 337          1HE       LYS 337  -8.400  -2.097 -11.494
  499   2HE   LYS 337          2HE       LYS 337  -7.259  -2.671 -10.278
  500   1HZ   LYS 337          1HZ       LYS 337  -7.913  -4.046 -12.829
  501   2HZ   LYS 337          2HZ       LYS 337  -6.828  -4.612 -11.662
  502   3HZ   LYS 337          3HZ       LYS 337  -6.494  -3.184 -12.505
  503    H    GLU 338           H        GLU 338  -9.837  -3.968  -5.630
  504    HA   GLU 338           HA       GLU 338 -12.549  -4.549  -6.181
  505   1HB   GLU 338          1HB       GLU 338 -10.523  -5.576  -4.244
  506   2HB   GLU 338          2HB       GLU 338 -12.211  -6.013  -4.018
  507   1HG   GLU 338          1HG       GLU 338 -10.895  -7.675  -5.296
  508   2HG   GLU 338          2HG       GLU 338 -12.303  -7.058  -6.159
  509    H    GLN 339           H        GLN 339 -10.974  -2.928  -3.449
  510    HA   GLN 339           HA       GLN 339 -13.247  -2.721  -1.812
  511   1HB   GLN 339          1HB       GLN 339 -10.761  -1.029  -2.000
  512   2HB   GLN 339          2HB       GLN 339 -12.005  -0.762  -0.787
  513   1HG   GLN 339          1HG       GLN 339 -10.396  -3.281  -1.147
  514   2HG   GLN 339          2HG       GLN 339 -10.157  -2.063   0.105
  515   1HE2  GLN 339          1HE2      GLN 339 -12.155  -4.666  -1.026
  516   2HE2  GLN 339          2HE2      GLN 339 -13.081  -4.857   0.420
  517    H    ARG 340           H        ARG 340 -11.890  -0.415  -4.159
  518    HA   ARG 340           HA       ARG 340 -13.846   1.578  -3.795
  519   1HB   ARG 340          1HB       ARG 340 -11.672   1.964  -4.911
  520   2HB   ARG 340          2HB       ARG 340 -12.208   0.986  -6.269
  521   1HG   ARG 340          1HG       ARG 340 -14.046   2.602  -6.649
  522   2HG   ARG 340          2HG       ARG 340 -13.380   3.606  -5.361
  523   1HD   ARG 340          1HD       ARG 340 -11.261   3.756  -6.621
  524   2HD   ARG 340          2HD       ARG 340 -11.996   2.827  -7.926
  525    HE   ARG 340           HE       ARG 340 -13.497   5.169  -7.241
  526   1HH1  ARG 340          1HH1      ARG 340 -10.802   3.967  -9.094
  527   2HH1  ARG 340          2HH1      ARG 340 -10.847   5.263 -10.242
  528   1HH2  ARG 340          1HH2      ARG 340 -13.562   6.880  -8.749
  529   2HH2  ARG 340          2HH2      ARG 340 -12.416   6.917 -10.046
  530    H    ASN 341           H        ASN 341 -13.599  -1.074  -6.140
  531    HA   ASN 341           HA       ASN 341 -15.917  -0.462  -7.604
  532   1HB   ASN 341          1HB       ASN 341 -14.204  -2.017  -8.422
  533   2HB   ASN 341          2HB       ASN 341 -14.619  -3.156  -7.145
  534   1HD2  ASN 341          1HD2      ASN 341 -15.159  -4.767  -8.598
  535   2HD2  ASN 341          2HD2      ASN 341 -16.601  -4.711  -9.548
  536    H    ALA 342           H        ALA 342 -15.438  -2.195  -4.605
  537    HA   ALA 342           HA       ALA 342 -18.012  -3.396  -4.496
  538   1HB   ALA 342          1HB       ALA 342 -17.492  -3.864  -2.168
  539   2HB   ALA 342          2HB       ALA 342 -16.124  -2.753  -2.234
  540   3HB   ALA 342          3HB       ALA 342 -16.107  -4.231  -3.197
  541    H    LYS 343           H        LYS 343 -16.638  -0.485  -2.977
  542    HA   LYS 343           HA       LYS 343 -19.037   0.302  -1.698
  543   1HB   LYS 343          1HB       LYS 343 -16.646   1.965  -2.508
  544   2HB   LYS 343          2HB       LYS 343 -17.911   2.480  -1.402
  545   1HG   LYS 343          1HG       LYS 343 -17.298   0.690   0.141
  546   2HG   LYS 343          2HG       LYS 343 -16.032   0.166  -0.970
  547   1HD   LYS 343          1HD       LYS 343 -15.017   1.499   0.743
  548   2HD   LYS 343          2HD       LYS 343 -15.006   2.430  -0.756
  549   1HE   LYS 343          1HE       LYS 343 -16.966   3.672  -0.015
  550   2HE   LYS 343          2HE       LYS 343 -17.025   2.718   1.465
  551   1HZ   LYS 343          1HZ       LYS 343 -14.867   3.608   2.084
  552   2HZ   LYS 343          2HZ       LYS 343 -15.977   4.859   1.836
  553   3HZ   LYS 343          3HZ       LYS 343 -14.808   4.522   0.662
  554    H    GLU 344           H        GLU 344 -17.843   0.659  -4.920
  555    HA   GLU 344           HA       GLU 344 -19.632   2.813  -5.625
  556   1HB   GLU 344          1HB       GLU 344 -17.441   2.575  -6.721
  557   2HB   GLU 344          2HB       GLU 344 -17.934   1.016  -7.368
  558   1HG   GLU 344          1HG       GLU 344 -19.689   2.107  -8.667
  559   2HG   GLU 344          2HG       GLU 344 -19.199   3.671  -8.015
  560    H    ALA 345           H        ALA 345 -19.573  -0.678  -5.827
  561    HA   ALA 345           HA       ALA 345 -21.745  -0.956  -7.640
  562   1HB   ALA 345          1HB       ALA 345 -21.758  -3.296  -6.972
  563   2HB   ALA 345          2HB       ALA 345 -20.704  -2.927  -5.606
  564   3HB   ALA 345          3HB       ALA 345 -20.108  -2.740  -7.256
  565    H    GLY 346           H        GLY 346 -21.495  -0.949  -4.107
  566   1HA   GLY 346          1HA       GLY 346 -23.086  -0.667  -2.478
  567   2HA   GLY 346          2HA       GLY 346 -24.062   0.115  -3.711
  568    H    GLY 347           H        GLY 347 -23.147  -3.059  -2.420
  569   1HA   GLY 347          1HA       GLY 347 -25.476  -4.202  -1.906
  570   2HA   GLY 347          2HA       GLY 347 -25.497  -4.268  -3.663
  571    H    ASN 348           H        ASN 348 -25.637  -6.601  -3.288
  572    HA   ASN 348           HA       ASN 348 -23.559  -8.078  -2.093
  573   1HB   ASN 348          1HB       ASN 348 -25.772  -9.039  -2.528
  574   2HB   ASN 348          2HB       ASN 348 -25.501  -8.907  -4.262
  575   1HD2  ASN 348          1HD2      ASN 348 -23.034  -9.840  -1.969
  576   2HD2  ASN 348          2HD2      ASN 348 -22.896 -11.480  -2.491
  577    H    TYR 349           H        TYR 349 -21.556  -8.466  -2.748
  578    HA   TYR 349           HA       TYR 349 -20.919  -8.774  -5.548
  579   1HB   TYR 349          1HB       TYR 349 -20.746  -6.359  -5.346
  580   2HB   TYR 349          2HB       TYR 349 -19.721  -6.521  -3.925
  581    HD1  TYR 349           HD1      TYR 349 -17.381  -6.882  -4.134
  582    HD2  TYR 349           HD2      TYR 349 -19.868  -7.049  -7.582
  583    HE1  TYR 349           HE1      TYR 349 -15.384  -6.884  -5.566
  584    HE2  TYR 349           HE2      TYR 349 -17.877  -7.051  -9.024
  585    HH   TYR 349           HH       TYR 349 -14.762  -7.616  -7.859
  586    H    THR 350           H        THR 350 -19.889  -8.655  -2.201
  587    HA   THR 350           HA       THR 350 -18.072  -9.546  -1.113
  588    HB   THR 350           HB       THR 350 -19.588 -11.345  -0.889
  589    HG1  THR 350           HG1      THR 350 -17.232 -12.563  -1.911
  590   1HG2  THR 350          1HG2      THR 350 -18.790 -12.185  -3.675
  591   2HG2  THR 350          2HG2      THR 350 -20.358 -11.556  -3.173
  592   3HG2  THR 350          3HG2      THR 350 -19.812 -13.127  -2.589
  593    HA   PRO 351           HA       PRO 351 -14.969  -9.274  -4.507
  594   1HB   PRO 351          1HB       PRO 351 -13.113  -8.033  -2.927
  595   2HB   PRO 351          2HB       PRO 351 -14.363  -7.170  -3.833
  596   1HG   PRO 351          1HG       PRO 351 -14.316  -7.956  -0.945
  597   2HG   PRO 351          2HG       PRO 351 -14.844  -6.432  -1.683
  598   1HD   PRO 351          1HD       PRO 351 -16.604  -8.310  -0.885
  599   2HD   PRO 351          2HD       PRO 351 -16.892  -7.304  -2.318
  600    H    ALA 352           H        ALA 352 -12.365  -9.574  -3.948
  601    HA   ALA 352           HA       ALA 352 -12.192 -12.078  -2.403
  602   1HB   ALA 352          1HB       ALA 352 -10.622 -12.948  -4.046
  603   2HB   ALA 352          2HB       ALA 352 -10.775 -11.470  -4.996
  604   3HB   ALA 352          3HB       ALA 352 -12.162 -12.544  -4.806
  605    H    LEU 353           H        LEU 353 -11.236  -8.956  -2.509
  606    HA   LEU 353           HA       LEU 353  -8.566  -9.517  -1.402
  607   1HB   LEU 353          1HB       LEU 353  -9.716  -7.165  -2.850
  608   2HB   LEU 353          2HB       LEU 353  -8.373  -6.927  -1.750
  609    HG   LEU 353           HG       LEU 353  -7.624  -7.143  -4.074
  610   1HD1  LEU 353          1HD1      LEU 353  -6.116  -7.828  -2.309
  611   2HD1  LEU 353          2HD1      LEU 353  -5.925  -8.878  -3.714
  612   3HD1  LEU 353          3HD1      LEU 353  -6.820  -9.446  -2.304
  613   1HD2  LEU 353          1HD2      LEU 353  -7.817  -9.246  -5.266
  614   2HD2  LEU 353          2HD2      LEU 353  -9.418  -8.623  -4.870
  615   3HD2  LEU 353          3HD2      LEU 353  -8.730  -9.945  -3.930
  616    H    THR 354           H        THR 354  -8.297  -9.305   0.712
  617    HA   THR 354           HA       THR 354 -10.073  -7.487   2.196
  618    HB   THR 354           HB       THR 354 -10.101  -9.081   4.079
  619    HG1  THR 354           HG1      THR 354  -8.847 -10.853   2.226
  620   1HG2  THR 354          1HG2      THR 354 -11.083 -10.276   1.484
  621   2HG2  THR 354          2HG2      THR 354 -11.943  -9.085   2.460
  622   3HG2  THR 354          3HG2      THR 354 -11.646 -10.701   3.100
  623    H    GLU 355           H        GLU 355  -9.154  -7.262   4.552
  624    HA   GLU 355           HA       GLU 355  -6.612  -6.019   4.308
  625   1HB   GLU 355          1HB       GLU 355  -8.202  -6.699   6.790
  626   2HB   GLU 355          2HB       GLU 355  -6.824  -5.608   6.731
  627   1HG   GLU 355          1HG       GLU 355  -8.042  -4.083   5.313
  628   2HG   GLU 355          2HG       GLU 355  -9.402  -5.200   5.231
  629    H    GLN 356           H        GLN 356  -7.719  -8.969   5.938
  630    HA   GLN 356           HA       GLN 356  -5.212  -9.697   7.005
  631   1HB   GLN 356          1HB       GLN 356  -6.235 -11.952   7.258
  632   2HB   GLN 356          2HB       GLN 356  -7.226 -10.654   7.908
  633   1HG   GLN 356          1HG       GLN 356  -8.555 -10.697   5.813
  634   2HG   GLN 356          2HG       GLN 356  -7.622 -12.102   5.302
  635   1HE2  GLN 356          1HE2      GLN 356 -10.484 -11.829   5.821
  636   2HE2  GLN 356          2HE2      GLN 356 -10.863 -13.005   7.027
  637    H    GLU 357           H        GLU 357  -6.832 -10.529   3.968
  638    HA   GLU 357           HA       GLU 357  -5.039 -12.465   3.061
  639   1HB   GLU 357          1HB       GLU 357  -7.250 -11.915   2.028
  640   2HB   GLU 357          2HB       GLU 357  -6.526 -10.462   1.353
  641   1HG   GLU 357          1HG       GLU 357  -4.983 -11.795   0.051
  642   2HG   GLU 357          2HG       GLU 357  -5.613 -13.272   0.777
  643    H    VAL 358           H        VAL 358  -5.028  -8.945   2.577
  644    HA   VAL 358           HA       VAL 358  -2.728  -8.807   0.981
  645    HB   VAL 358           HB       VAL 358  -3.933  -6.787   2.875
  646   1HG1  VAL 358          1HG1      VAL 358  -1.629  -6.453   0.959
  647   2HG1  VAL 358          2HG1      VAL 358  -1.612  -6.216   2.707
  648   3HG1  VAL 358          3HG1      VAL 358  -2.523  -5.113   1.676
  649   1HG2  VAL 358          1HG2      VAL 358  -5.301  -7.355   0.946
  650   2HG2  VAL 358          2HG2      VAL 358  -3.945  -7.016  -0.131
  651   3HG2  VAL 358          3HG2      VAL 358  -4.677  -5.711   0.803
  652    H    TYR 359           H        TYR 359  -3.086  -8.347   4.497
  653    HA   TYR 359           HA       TYR 359  -0.463  -7.893   5.176
  654   1HB   TYR 359          1HB       TYR 359  -2.460  -7.859   6.715
  655   2HB   TYR 359          2HB       TYR 359  -2.347  -9.613   6.794
  656    HD1  TYR 359           HD1      TYR 359  -0.626 -10.689   8.086
  657    HD2  TYR 359           HD2      TYR 359  -0.719  -6.451   7.722
  658    HE1  TYR 359           HE1      TYR 359   1.004 -10.503   9.917
  659    HE2  TYR 359           HE2      TYR 359   0.911  -6.253   9.552
  660    HH   TYR 359           HH       TYR 359   1.696  -7.559  11.470
  661    H    ALA 360           H        ALA 360  -2.047 -10.974   4.522
  662    HA   ALA 360           HA       ALA 360   0.090 -12.638   5.332
  663   1HB   ALA 360          1HB       ALA 360  -2.099 -13.567   5.124
  664   2HB   ALA 360          2HB       ALA 360  -1.059 -14.367   3.945
  665   3HB   ALA 360          3HB       ALA 360  -2.187 -13.117   3.420
  666    H    GLN 361           H        GLN 361  -0.944 -11.660   2.055
  667    HA   GLN 361           HA       GLN 361   1.162 -12.844   0.661
  668   1HB   GLN 361          1HB       GLN 361  -0.435 -10.371  -0.020
  669   2HB   GLN 361          2HB       GLN 361   0.620 -11.217  -1.144
  670   1HG   GLN 361          1HG       GLN 361  -0.759 -13.207  -0.971
  671   2HG   GLN 361          2HG       GLN 361  -1.798 -12.399   0.202
  672   1HE2  GLN 361          1HE2      GLN 361  -0.431 -10.759  -2.551
  673   2HE2  GLN 361          2HE2      GLN 361  -1.911 -10.556  -3.417
  674    H    VAL 362           H        VAL 362   0.864  -9.456   1.745
  675    HA   VAL 362           HA       VAL 362   3.329  -8.554   0.835
  676    HB   VAL 362           HB       VAL 362   1.960  -7.633   3.367
  677   1HG1  VAL 362          1HG1      VAL 362   3.097  -5.514   2.926
  678   2HG1  VAL 362          2HG1      VAL 362   3.872  -6.222   1.507
  679   3HG1  VAL 362          3HG1      VAL 362   4.255  -6.832   3.117
  680   1HG2  VAL 362          1HG2      VAL 362   1.594  -6.598   0.557
  681   2HG2  VAL 362          2HG2      VAL 362   0.796  -6.007   2.015
  682   3HG2  VAL 362          3HG2      VAL 362   0.442  -7.624   1.409
  683    H    ALA 363           H        ALA 363   2.476 -10.129   3.891
  684    HA   ALA 363           HA       ALA 363   4.986  -9.889   5.135
  685   1HB   ALA 363          1HB       ALA 363   2.932 -10.514   6.330
  686   2HB   ALA 363          2HB       ALA 363   4.240 -11.663   6.617
  687   3HB   ALA 363          3HB       ALA 363   2.935 -12.071   5.501
  688    H    ARG 364           H        ARG 364   3.681 -12.234   2.870
  689    HA   ARG 364           HA       ARG 364   5.715 -14.169   3.083
  690   1HB   ARG 364          1HB       ARG 364   3.518 -14.540   1.980
  691   2HB   ARG 364          2HB       ARG 364   4.030 -13.494   0.664
  692   1HG   ARG 364          1HG       ARG 364   4.280 -15.791   0.008
  693   2HG   ARG 364          2HG       ARG 364   5.875 -15.054   0.176
  694   1HD   ARG 364          1HD       ARG 364   5.743 -17.334   1.136
  695   2HD   ARG 364          2HD       ARG 364   6.192 -16.105   2.319
  696    HE   ARG 364           HE       ARG 364   3.440 -16.377   2.462
  697   1HH1  ARG 364          1HH1      ARG 364   6.242 -18.390   2.963
  698   2HH1  ARG 364          2HH1      ARG 364   5.484 -19.362   4.179
  699   1HH2  ARG 364          1HH2      ARG 364   2.437 -17.654   4.061
  700   2HH2  ARG 364          2HH2      ARG 364   3.322 -18.946   4.799
  701    H    LEU 365           H        LEU 365   5.305 -11.422   0.862
  702    HA   LEU 365           HA       LEU 365   7.677 -11.846  -0.599
  703   1HB   LEU 365          1HB       LEU 365   6.110  -9.316  -0.096
  704   2HB   LEU 365          2HB       LEU 365   7.430  -9.442  -1.243
  705    HG   LEU 365           HG       LEU 365   4.871 -11.040  -1.394
  706   1HD1  LEU 365          1HD1      LEU 365   5.745  -8.603  -2.938
  707   2HD1  LEU 365          2HD1      LEU 365   4.430  -8.683  -1.766
  708   3HD1  LEU 365          3HD1      LEU 365   4.316  -9.576  -3.282
  709   1HD2  LEU 365          1HD2      LEU 365   5.648 -11.600  -3.648
  710   2HD2  LEU 365          2HD2      LEU 365   6.771 -12.172  -2.413
  711   3HD2  LEU 365          3HD2      LEU 365   7.150 -10.724  -3.346
  712    H    PHE 366           H        PHE 366   6.998  -9.983   2.321
  713    HA   PHE 366           HA       PHE 366   9.860  -9.352   2.550
  714   1HB   PHE 366          1HB       PHE 366   7.516  -8.147   4.039
  715   2HB   PHE 366          2HB       PHE 366   9.196  -7.639   4.173
  716    HD1  PHE 366           HD1      PHE 366   6.165  -6.815   2.762
  717    HD2  PHE 366           HD2      PHE 366  10.286  -7.139   1.742
  718    HE1  PHE 366           HE1      PHE 366   5.829  -5.231   0.909
  719    HE2  PHE 366           HE2      PHE 366   9.955  -5.554  -0.110
  720    HZ   PHE 366           HZ       PHE 366   7.725  -4.599  -0.529
  721    H    LYS 367           H        LYS 367   9.163 -11.965   3.074
  722    HA   LYS 367           HA       LYS 367   8.505 -12.566   5.714
  723   1HB   LYS 367          1HB       LYS 367   9.536 -14.753   5.240
  724   2HB   LYS 367          2HB       LYS 367   8.448 -14.235   3.966
  725   1HG   LYS 367          1HG       LYS 367  10.300 -13.599   2.575
  726   2HG   LYS 367          2HG       LYS 367  11.440 -13.943   3.876
  727   1HD   LYS 367          1HD       LYS 367  11.462 -15.783   2.330
  728   2HD   LYS 367          2HD       LYS 367  10.696 -16.315   3.828
  729   1HE   LYS 367          1HE       LYS 367   8.487 -15.951   2.801
  730   2HE   LYS 367          2HE       LYS 367   9.280 -15.479   1.298
  731   1HZ   LYS 367          1HZ       LYS 367   8.587 -17.775   1.204
  732   2HZ   LYS 367          2HZ       LYS 367   9.458 -18.140   2.606
  733   3HZ   LYS 367          3HZ       LYS 367  10.278 -17.695   1.196
  734    H    ASN 368           H        ASN 368  11.370 -11.255   4.388
  735    HA   ASN 368           HA       ASN 368  12.964 -12.029   6.720
  736   1HB   ASN 368          1HB       ASN 368  13.766 -10.646   4.152
  737   2HB   ASN 368          2HB       ASN 368  14.870 -11.050   5.463
  738   1HD2  ASN 368          1HD2      ASN 368  12.952 -12.270   2.849
  739   2HD2  ASN 368          2HD2      ASN 368  13.621 -13.863   2.828
  740    H    GLN 369           H        GLN 369  11.775  -9.174   5.004
  741    HA   GLN 369           HA       GLN 369  12.754  -7.454   7.161
  742   1HB   GLN 369          1HB       GLN 369  11.514  -6.749   4.495
  743   2HB   GLN 369          2HB       GLN 369  12.122  -5.588   5.669
  744   1HG   GLN 369          1HG       GLN 369  13.752  -7.668   4.227
  745   2HG   GLN 369          2HG       GLN 369  13.713  -5.942   3.870
  746   1HE2  GLN 369          1HE2      GLN 369  14.720  -4.501   5.267
  747   2HE2  GLN 369          2HE2      GLN 369  15.866  -5.017   6.453
  748    H    GLU 370           H        GLU 370  11.269  -8.050   8.778
  749    HA   GLU 370           HA       GLU 370   8.436  -7.833   8.349
  750   1HB   GLU 370          1HB       GLU 370  10.025  -8.046  10.917
  751   2HB   GLU 370          2HB       GLU 370   8.279  -8.195  10.791
  752   1HG   GLU 370          1HG       GLU 370  10.286 -10.023   9.490
  753   2HG   GLU 370          2HG       GLU 370   9.387 -10.367  10.967
  754    H    ASP 371           H        ASP 371  10.978  -5.677   9.233
  755    HA   ASP 371           HA       ASP 371   9.548  -3.763  10.696
  756   1HB   ASP 371          1HB       ASP 371  11.325  -2.183  10.007
  757   2HB   ASP 371          2HB       ASP 371  11.976  -3.713  10.583
  758    H    LEU 372           H        LEU 372   9.963  -4.220   7.225
  759    HA   LEU 372           HA       LEU 372   8.707  -1.854   6.367
  760   1HB   LEU 372          1HB       LEU 372   9.388  -4.475   5.167
  761   2HB   LEU 372          2HB       LEU 372   8.123  -3.568   4.364
  762    HG   LEU 372           HG       LEU 372   9.628  -1.702   3.996
  763   1HD1  LEU 372          1HD1      LEU 372  11.997  -1.843   4.598
  764   2HD1  LEU 372          2HD1      LEU 372  11.685  -3.356   5.451
  765   3HD1  LEU 372          3HD1      LEU 372  10.957  -1.855   6.022
  766   1HD2  LEU 372          1HD2      LEU 372  11.204  -2.766   2.465
  767   2HD2  LEU 372          2HD2      LEU 372   9.605  -3.498   2.345
  768   3HD2  LEU 372          3HD2      LEU 372  10.891  -4.328   3.220
  769    H    LEU 373           H        LEU 373   7.446  -5.106   6.992
  770    HA   LEU 373           HA       LEU 373   4.784  -4.610   6.241
  771   1HB   LEU 373          1HB       LEU 373   5.911  -6.856   6.705
  772   2HB   LEU 373          2HB       LEU 373   5.645  -6.523   8.405
  773    HG   LEU 373           HG       LEU 373   3.216  -6.419   8.002
  774   1HD1  LEU 373          1HD1      LEU 373   3.251  -5.703   5.675
  775   2HD1  LEU 373          2HD1      LEU 373   2.304  -7.177   5.869
  776   3HD1  LEU 373          3HD1      LEU 373   3.932  -7.259   5.197
  777   1HD2  LEU 373          1HD2      LEU 373   4.223  -8.513   8.711
  778   2HD2  LEU 373          2HD2      LEU 373   4.540  -8.945   7.029
  779   3HD2  LEU 373          3HD2      LEU 373   2.879  -8.811   7.607
  780    H    SER 374           H        SER 374   6.464  -4.316   9.341
  781    HA   SER 374           HA       SER 374   4.289  -3.720  10.973
  782   1HB   SER 374          1HB       SER 374   6.545  -4.186  11.845
  783   2HB   SER 374          2HB       SER 374   7.118  -2.657  11.181
  784    HG   SER 374           HG       SER 374   5.710  -3.153  13.472
  785    H    GLU 375           H        GLU 375   6.385  -1.545   9.102
  786    HA   GLU 375           HA       GLU 375   5.153   0.859   9.854
  787   1HB   GLU 375          1HB       GLU 375   7.323   0.781   8.715
  788   2HB   GLU 375          2HB       GLU 375   6.550   0.167   7.261
  789   1HG   GLU 375          1HG       GLU 375   7.082   2.557   7.122
  790   2HG   GLU 375          2HG       GLU 375   5.355   2.237   6.965
  791    H    PHE 376           H        PHE 376   4.460  -1.436   7.269
  792    HA   PHE 376           HA       PHE 376   2.408   0.097   6.040
  793   1HB   PHE 376          1HB       PHE 376   3.566  -1.705   4.848
  794   2HB   PHE 376          2HB       PHE 376   2.921  -2.887   5.982
  795    HD1  PHE 376           HD1      PHE 376   1.887  -0.371   3.452
  796    HD2  PHE 376           HD2      PHE 376   0.892  -3.936   5.556
  797    HE1  PHE 376           HE1      PHE 376  -0.080  -0.673   2.005
  798    HE2  PHE 376           HE2      PHE 376  -1.077  -4.243   4.110
  799    HZ   PHE 376           HZ       PHE 376  -1.564  -2.609   2.333
  800    H    GLY 377           H        GLY 377   2.563  -1.889   8.841
  801   1HA   GLY 377          1HA       GLY 377  -0.285  -2.391   8.974
  802   2HA   GLY 377          2HA       GLY 377   0.910  -2.817  10.189
  803    H    GLN 378           H        GLN 378   2.006  -0.117  10.363
  804    HA   GLN 378           HA       GLN 378   0.542   0.894  12.476
  805   1HB   GLN 378          1HB       GLN 378   2.348   2.386  10.566
  806   2HB   GLN 378          2HB       GLN 378   1.773   3.026  12.099
  807   1HG   GLN 378          1HG       GLN 378   2.890   1.116  13.237
  808   2HG   GLN 378          2HG       GLN 378   3.575   0.658  11.680
  809   1HE2  GLN 378          1HE2      GLN 378   3.880   3.451  10.845
  810   2HE2  GLN 378          2HE2      GLN 378   5.243   4.058  11.716
  811    H    PHE 379           H        PHE 379   0.254   1.582   9.040
  812    HA   PHE 379           HA       PHE 379  -1.587   3.733   9.319
  813   1HB   PHE 379          1HB       PHE 379  -1.049   1.902   6.969
  814   2HB   PHE 379          2HB       PHE 379  -2.015   3.371   6.901
  815    HD1  PHE 379           HD1      PHE 379  -0.868   5.566   7.538
  816    HD2  PHE 379           HD2      PHE 379   1.244   1.985   6.628
  817    HE1  PHE 379           HE1      PHE 379   1.158   6.883   7.074
  818    HE2  PHE 379           HE2      PHE 379   3.274   3.295   6.165
  819    HZ   PHE 379           HZ       PHE 379   3.232   5.748   6.387
  820    H    LEU 380           H        LEU 380  -2.002   0.300   8.471
  821    HA   LEU 380           HA       LEU 380  -4.766   0.282   8.213
  822   1HB   LEU 380          1HB       LEU 380  -3.017  -1.932   9.286
  823   2HB   LEU 380          2HB       LEU 380  -4.640  -2.124   8.650
  824    HG   LEU 380           HG       LEU 380  -2.263  -1.187   7.045
  825   1HD1  LEU 380          1HD1      LEU 380  -2.357  -3.384   5.990
  826   2HD1  LEU 380          2HD1      LEU 380  -3.650  -3.862   7.091
  827   3HD1  LEU 380          3HD1      LEU 380  -2.038  -3.519   7.719
  828   1HD2  LEU 380          1HD2      LEU 380  -4.368  -0.301   6.209
  829   2HD2  LEU 380          2HD2      LEU 380  -5.070  -1.918   6.217
  830   3HD2  LEU 380          3HD2      LEU 380  -3.743  -1.539   5.119
  831    HA   PRO 381           HA       PRO 381  -6.071   0.845  12.427
  832   1HB   PRO 381          1HB       PRO 381  -8.697   0.434  12.131
  833   2HB   PRO 381          2HB       PRO 381  -7.903   1.847  11.422
  834   1HG   PRO 381          1HG       PRO 381  -8.740  -0.711  10.116
  835   2HG   PRO 381          2HG       PRO 381  -8.878   0.951   9.515
  836   1HD   PRO 381          1HD       PRO 381  -6.887  -0.811   8.788
  837   2HD   PRO 381          2HD       PRO 381  -6.744   0.955   8.702
  838    H    ASP 382           H        ASP 382  -6.336  -0.385  14.216
  839    HA   ASP 382           HA       ASP 382  -6.477  -2.216  15.554
  840   1HB   ASP 382          1HB       ASP 382  -8.822  -2.169  14.664
  841   2HB   ASP 382          2HB       ASP 382  -8.326  -3.328  13.435
  842    H    ALA 383           H        ALA 383  -4.679  -2.155  13.010
  843    HA   ALA 383           HA       ALA 383  -3.849  -4.967  13.254
  844   1HB   ALA 383          1HB       ALA 383  -3.874  -3.380  10.690
  845   2HB   ALA 383          2HB       ALA 383  -4.997  -4.672  11.112
  846   3HB   ALA 383          3HB       ALA 383  -3.285  -5.030  10.887
  Start of MODEL    7
    1   1H    ARG   6          1H        ARG   6  -8.051   5.762   0.843
    2   2H    ARG   6          2H        ARG   6  -8.385   7.406   1.053
    3   3H    ARG   6          3H        ARG   6  -9.598   6.257   1.314
    4    HA   ARG   6           HA       ARG   6  -8.751   7.072   3.403
    5   1HB   ARG   6          1HB       ARG   6  -7.896   4.229   2.818
    6   2HB   ARG   6          2HB       ARG   6  -8.194   4.902   4.415
    7   1HG   ARG   6          1HG       ARG   6 -10.532   5.229   3.873
    8   2HG   ARG   6          2HG       ARG   6 -10.253   4.641   2.233
    9   1HD   ARG   6          1HD       ARG   6 -11.223   2.893   3.617
   10   2HD   ARG   6          2HD       ARG   6  -9.583   2.465   3.133
   11    HE   ARG   6           HE       ARG   6  -9.475   3.738   5.625
   12   1HH1  ARG   6          1HH1      ARG   6 -10.631   0.778   4.199
   13   2HH1  ARG   6          2HH1      ARG   6 -10.440  -0.149   5.651
   14   1HH2  ARG   6          1HH2      ARG   6  -9.218   2.529   7.541
   15   2HH2  ARG   6          2HH2      ARG   6  -9.636   0.849   7.551
   16    H    MET   7           H        MET   7  -6.867   6.539   4.998
   17    HA   MET   7           HA       MET   7  -4.421   7.490   3.700
   18   1HB   MET   7          1HB       MET   7  -3.709   8.194   5.914
   19   2HB   MET   7          2HB       MET   7  -5.320   8.815   5.577
   20   1HG   MET   7          1HG       MET   7  -6.314   7.103   6.953
   21   2HG   MET   7          2HG       MET   7  -4.736   6.364   7.221
   22   1HE   MET   7          1HE       MET   7  -6.587   7.028   9.676
   23   2HE   MET   7          2HE       MET   7  -5.408   7.764  10.763
   24   3HE   MET   7          3HE       MET   7  -4.957   6.362   9.791
   25    H    ASN   8           H        ASN   8  -5.609   4.606   4.182
   26    HA   ASN   8           HA       ASN   8  -3.381   3.380   5.587
   27   1HB   ASN   8          1HB       ASN   8  -5.922   2.266   4.401
   28   2HB   ASN   8          2HB       ASN   8  -4.663   1.244   5.084
   29   1HD2  ASN   8          1HD2      ASN   8  -5.509   4.399   6.347
   30   2HD2  ASN   8          2HD2      ASN   8  -6.192   3.832   7.827
   31    H    ILE   9           H        ILE   9  -4.986   2.424   2.557
   32    HA   ILE   9           HA       ILE   9  -2.340   1.764   1.468
   33    HB   ILE   9           HB       ILE   9  -5.095   0.736   0.830
   34   1HG1  ILE   9          1HG1      ILE   9  -3.902  -1.464   1.188
   35   2HG1  ILE   9          2HG1      ILE   9  -2.503  -0.539   1.719
   36   1HG2  ILE   9          1HG2      ILE   9  -4.097   1.133  -1.316
   37   2HG2  ILE   9          2HG2      ILE   9  -4.051  -0.598  -0.986
   38   3HG2  ILE   9          3HG2      ILE   9  -2.591   0.373  -0.805
   39   1HD1  ILE   9          1HD1      ILE   9  -3.822  -1.381   3.590
   40   2HD1  ILE   9          2HD1      ILE   9  -5.223  -0.482   3.006
   41   3HD1  ILE   9          3HD1      ILE   9  -3.788   0.381   3.557
   42    H    GLN  10           H        GLN  10  -5.355   3.449   0.680
   43    HA   GLN  10           HA       GLN  10  -4.753   4.219  -1.927
   44   1HB   GLN  10          1HB       GLN  10  -6.397   5.588   0.201
   45   2HB   GLN  10          2HB       GLN  10  -6.298   6.174  -1.454
   46   1HG   GLN  10          1HG       GLN  10  -8.297   4.882  -1.186
   47   2HG   GLN  10          2HG       GLN  10  -7.184   4.014  -2.240
   48   1HE2  GLN  10          1HE2      GLN  10  -6.233   2.118  -1.519
   49   2HE2  GLN  10          2HE2      GLN  10  -6.807   1.264  -0.131
   50    H    MET  11           H        MET  11  -3.580   5.458   1.104
   51    HA   MET  11           HA       MET  11  -2.628   7.954   0.159
   52   1HB   MET  11          1HB       MET  11  -3.001   7.427   2.548
   53   2HB   MET  11          2HB       MET  11  -1.643   6.311   2.497
   54   1HG   MET  11          1HG       MET  11  -0.993   8.413   3.494
   55   2HG   MET  11          2HG       MET  11  -0.142   8.158   1.971
   56   1HE   MET  11          1HE       MET  11  -0.339  10.955   3.503
   57   2HE   MET  11          2HE       MET  11  -0.640  12.060   2.162
   58   3HE   MET  11          3HE       MET  11   0.538  10.759   1.985
   59    H    LEU  12           H        LEU  12  -0.797   5.017   1.034
   60    HA   LEU  12           HA       LEU  12   1.653   5.825   0.008
   61   1HB   LEU  12          1HB       LEU  12   0.613   2.993   0.066
   62   2HB   LEU  12          2HB       LEU  12   2.294   3.494   0.035
   63    HG   LEU  12           HG       LEU  12   0.387   4.042   2.311
   64   1HD1  LEU  12          1HD1      LEU  12   1.642   2.326   3.515
   65   2HD1  LEU  12          2HD1      LEU  12   2.572   1.982   2.058
   66   3HD1  LEU  12          3HD1      LEU  12   0.838   1.658   2.094
   67   1HD2  LEU  12          1HD2      LEU  12   3.377   4.378   2.108
   68   2HD2  LEU  12          2HD2      LEU  12   2.383   4.700   3.528
   69   3HD2  LEU  12          3HD2      LEU  12   2.194   5.687   2.078
   70    H    LEU  13           H        LEU  13  -1.085   4.309  -1.604
   71    HA   LEU  13           HA       LEU  13   0.199   3.703  -4.034
   72   1HB   LEU  13          1HB       LEU  13  -2.652   4.141  -3.235
   73   2HB   LEU  13          2HB       LEU  13  -2.241   3.992  -4.933
   74    HG   LEU  13           HG       LEU  13  -1.635   1.909  -2.832
   75   1HD1  LEU  13          1HD1      LEU  13  -3.422   0.618  -3.858
   76   2HD1  LEU  13          2HD1      LEU  13  -3.769   1.951  -4.960
   77   3HD1  LEU  13          3HD1      LEU  13  -4.040   2.145  -3.228
   78   1HD2  LEU  13          1HD2      LEU  13  -1.329   1.923  -5.832
   79   2HD2  LEU  13          2HD2      LEU  13  -1.188   0.486  -4.820
   80   3HD2  LEU  13          3HD2      LEU  13  -0.042   1.813  -4.630
   81    H    GLU  14           H        GLU  14  -1.706   6.544  -3.047
   82    HA   GLU  14           HA       GLU  14  -1.541   7.968  -5.434
   83   1HB   GLU  14          1HB       GLU  14  -2.986   8.576  -3.505
   84   2HB   GLU  14          2HB       GLU  14  -1.556   9.101  -2.628
   85   1HG   GLU  14          1HG       GLU  14  -2.663  11.013  -3.537
   86   2HG   GLU  14          2HG       GLU  14  -1.135  10.777  -4.386
   87    H    ALA  15           H        ALA  15   0.696   7.750  -2.720
   88    HA   ALA  15           HA       ALA  15   2.498   9.751  -3.557
   89   1HB   ALA  15          1HB       ALA  15   4.086   8.706  -2.017
   90   2HB   ALA  15          2HB       ALA  15   3.035   7.296  -1.888
   91   3HB   ALA  15          3HB       ALA  15   2.489   8.861  -1.285
   92    H    ALA  16           H        ALA  16   2.367   6.265  -4.180
   93    HA   ALA  16           HA       ALA  16   4.810   6.038  -5.540
   94   1HB   ALA  16          1HB       ALA  16   2.310   4.400  -5.948
   95   2HB   ALA  16          2HB       ALA  16   3.535   4.111  -4.713
   96   3HB   ALA  16          3HB       ALA  16   3.947   3.944  -6.421
   97    H    ASP  17           H        ASP  17   1.515   6.511  -6.817
   98    HA   ASP  17           HA       ASP  17   2.275   6.680  -9.525
   99   1HB   ASP  17          1HB       ASP  17  -0.140   7.794  -8.085
  100   2HB   ASP  17          2HB       ASP  17   0.045   7.775  -9.836
  101    H    TYR  18           H        TYR  18   2.227   9.000  -6.933
  102    HA   TYR  18           HA       TYR  18   2.342  11.371  -8.439
  103   1HB   TYR  18          1HB       TYR  18   1.842  11.442  -6.078
  104   2HB   TYR  18          2HB       TYR  18   3.397  10.717  -5.682
  105    HD1  TYR  18           HD1      TYR  18   5.414  12.038  -5.643
  106    HD2  TYR  18           HD2      TYR  18   1.705  13.783  -6.791
  107    HE1  TYR  18           HE1      TYR  18   6.403  14.279  -5.414
  108    HE2  TYR  18           HE2      TYR  18   2.685  16.027  -6.568
  109    HH   TYR  18           HH       TYR  18   4.569  17.099  -5.332
  110    H    LEU  19           H        LEU  19   4.991   9.604  -6.833
  111    HA   LEU  19           HA       LEU  19   7.083  11.117  -7.915
  112   1HB   LEU  19          1HB       LEU  19   7.198   8.207  -7.141
  113   2HB   LEU  19          2HB       LEU  19   8.540   9.331  -7.209
  114    HG   LEU  19           HG       LEU  19   6.227   9.566  -5.289
  115   1HD1  LEU  19          1HD1      LEU  19   9.018   8.529  -4.808
  116   2HD1  LEU  19          2HD1      LEU  19   7.553   7.550  -4.860
  117   3HD1  LEU  19          3HD1      LEU  19   7.762   8.753  -3.590
  118   1HD2  LEU  19          1HD2      LEU  19   7.681  11.176  -4.148
  119   2HD2  LEU  19          2HD2      LEU  19   7.305  11.692  -5.793
  120   3HD2  LEU  19          3HD2      LEU  19   8.882  10.993  -5.426
  121    H    GLU  20           H        GLU  20   5.844   7.941  -8.951
  122    HA   GLU  20           HA       GLU  20   7.486   7.533 -11.138
  123   1HB   GLU  20          1HB       GLU  20   4.597   6.742 -10.751
  124   2HB   GLU  20          2HB       GLU  20   5.616   6.134 -12.049
  125   1HG   GLU  20          1HG       GLU  20   6.106   5.765  -9.101
  126   2HG   GLU  20          2HG       GLU  20   5.464   4.551 -10.207
  127    H    ARG  21           H        ARG  21   4.168   8.846 -11.287
  128    HA   ARG  21           HA       ARG  21   5.010  10.451 -13.606
  129   1HB   ARG  21          1HB       ARG  21   2.393   8.971 -13.289
  130   2HB   ARG  21          2HB       ARG  21   2.772  10.081 -14.599
  131   1HG   ARG  21          1HG       ARG  21   4.303   7.555 -14.019
  132   2HG   ARG  21          2HG       ARG  21   3.002   7.689 -15.204
  133   1HD   ARG  21          1HD       ARG  21   4.294   9.441 -16.373
  134   2HD   ARG  21          2HD       ARG  21   5.608   9.208 -15.220
  135    HE   ARG  21           HE       ARG  21   5.251   6.729 -16.201
  136   1HH1  ARG  21          1HH1      ARG  21   5.636   9.830 -17.744
  137   2HH1  ARG  21          2HH1      ARG  21   6.409   9.178 -19.150
  138   1HH2  ARG  21          1HH2      ARG  21   6.267   5.863 -18.048
  139   2HH2  ARG  21          2HH2      ARG  21   6.770   6.923 -19.323
  140   1H    SER 295          1H        SER 295 -11.034  11.840   5.548
  141   2H    SER 295          2H        SER 295  -9.852  11.885   6.757
  142   3H    SER 295          3H        SER 295 -10.738  10.469   6.495
  143    HA   SER 295           HA       SER 295  -8.530  10.260   5.583
  144   1HB   SER 295          1HB       SER 295 -10.695  10.496   3.478
  145   2HB   SER 295          2HB       SER 295  -9.175   9.624   3.281
  146    HG   SER 295           HG       SER 295  -9.930   8.453   5.266
  147    H    LEU 296           H        LEU 296  -6.916  10.959   4.148
  148    HA   LEU 296           HA       LEU 296  -5.589  12.465   3.092
  149   1HB   LEU 296          1HB       LEU 296  -8.276  13.537   2.253
  150   2HB   LEU 296          2HB       LEU 296  -6.770  14.253   1.715
  151    HG   LEU 296           HG       LEU 296  -6.171  11.928   0.823
  152   1HD1  LEU 296          1HD1      LEU 296  -8.058  10.479   0.292
  153   2HD1  LEU 296          2HD1      LEU 296  -9.142  11.558   1.170
  154   3HD1  LEU 296          3HD1      LEU 296  -7.882  10.680   2.036
  155   1HD2  LEU 296          1HD2      LEU 296  -6.762  13.820  -0.602
  156   2HD2  LEU 296          2HD2      LEU 296  -8.473  13.438  -0.409
  157   3HD2  LEU 296          3HD2      LEU 296  -7.406  12.309  -1.245
  158    H    GLN 297           H        GLN 297  -4.364  13.872   4.122
  159    HA   GLN 297           HA       GLN 297  -5.152  15.294   6.386
  160   1HB   GLN 297          1HB       GLN 297  -2.809  14.694   5.810
  161   2HB   GLN 297          2HB       GLN 297  -2.828  15.932   4.562
  162   1HG   GLN 297          1HG       GLN 297  -1.708  16.734   6.550
  163   2HG   GLN 297          2HG       GLN 297  -3.188  17.646   6.262
  164   1HE2  GLN 297          1HE2      GLN 297  -1.601  15.320   8.296
  165   2HE2  GLN 297          2HE2      GLN 297  -2.729  15.387   9.603
  166    H    ASN 298           H        ASN 298  -5.432  17.532   6.768
  167    HA   ASN 298           HA       ASN 298  -7.147  18.835   4.978
  168   1HB   ASN 298          1HB       ASN 298  -5.567  19.954   7.302
  169   2HB   ASN 298          2HB       ASN 298  -6.858  20.812   6.468
  170   1HD2  ASN 298          1HD2      ASN 298  -6.666  20.002   9.251
  171   2HD2  ASN 298          2HD2      ASN 298  -8.044  19.005   9.559
  172    H    ASN 299           H        ASN 299  -3.862  19.894   5.936
  173    HA   ASN 299           HA       ASN 299  -3.241  20.567   3.197
  174   1HB   ASN 299          1HB       ASN 299  -2.725  22.960   3.752
  175   2HB   ASN 299          2HB       ASN 299  -4.440  22.565   3.745
  176   1HD2  ASN 299          1HD2      ASN 299  -4.989  24.261   5.074
  177   2HD2  ASN 299          2HD2      ASN 299  -4.593  24.299   6.755
  178    H    GLN 300           H        GLN 300  -2.314  19.332   6.023
  179    HA   GLN 300           HA       GLN 300   0.354  20.433   6.179
  180   1HB   GLN 300          1HB       GLN 300  -0.886  18.082   7.615
  181   2HB   GLN 300          2HB       GLN 300   0.690  18.769   7.973
  182   1HG   GLN 300          1HG       GLN 300  -0.448  20.912   8.511
  183   2HG   GLN 300          2HG       GLN 300  -1.988  20.081   8.296
  184   1HE2  GLN 300          1HE2      GLN 300   0.829  20.427  10.288
  185   2HE2  GLN 300          2HE2      GLN 300   0.222  19.564  11.656
  186    HA   PRO 301           HA       PRO 301   1.776  17.405   3.169
  187   1HB   PRO 301          1HB       PRO 301   4.214  18.431   2.754
  188   2HB   PRO 301          2HB       PRO 301   2.761  19.229   2.138
  189   1HG   PRO 301          1HG       PRO 301   4.395  19.873   4.561
  190   2HG   PRO 301          2HG       PRO 301   3.671  20.972   3.373
  191   1HD   PRO 301          1HD       PRO 301   2.571  20.399   5.830
  192   2HD   PRO 301          2HD       PRO 301   1.645  20.961   4.425
  193    H    VAL 302           H        VAL 302   2.270  17.383   6.297
  194    HA   VAL 302           HA       VAL 302   4.819  16.190   6.647
  195    HB   VAL 302           HB       VAL 302   2.382  15.943   8.417
  196   1HG1  VAL 302          1HG1      VAL 302   4.010  15.489  10.197
  197   2HG1  VAL 302          2HG1      VAL 302   5.311  15.526   9.007
  198   3HG1  VAL 302          3HG1      VAL 302   4.073  14.272   8.923
  199   1HG2  VAL 302          1HG2      VAL 302   2.966  18.276   8.014
  200   2HG2  VAL 302          2HG2      VAL 302   4.636  17.947   8.477
  201   3HG2  VAL 302          3HG2      VAL 302   3.346  17.811   9.673
  202    H    GLU 303           H        GLU 303   1.575  14.695   6.860
  203    HA   GLU 303           HA       GLU 303   2.464  12.049   6.908
  204   1HB   GLU 303          1HB       GLU 303   0.164  12.772   7.488
  205   2HB   GLU 303          2HB       GLU 303  -0.148  13.081   5.785
  206   1HG   GLU 303          1HG       GLU 303   0.255  10.700   5.307
  207   2HG   GLU 303          2HG       GLU 303   0.483  10.414   7.031
  208    H    PHE 304           H        PHE 304   1.861  14.223   4.234
  209    HA   PHE 304           HA       PHE 304   1.878  12.331   2.148
  210   1HB   PHE 304          1HB       PHE 304   1.128  14.725   1.972
  211   2HB   PHE 304          2HB       PHE 304   2.825  15.199   1.996
  212    HD1  PHE 304           HD1      PHE 304   3.923  15.469  -0.005
  213    HD2  PHE 304           HD2      PHE 304   0.499  12.950   0.149
  214    HE1  PHE 304           HE1      PHE 304   4.038  15.171  -2.444
  215    HE2  PHE 304           HE2      PHE 304   0.608  12.644  -2.291
  216    HZ   PHE 304           HZ       PHE 304   2.381  13.756  -3.590
  217    H    ASN 305           H        ASN 305   4.471  14.285   3.578
  218    HA   ASN 305           HA       ASN 305   6.538  13.353   1.906
  219   1HB   ASN 305          1HB       ASN 305   6.770  15.381   3.259
  220   2HB   ASN 305          2HB       ASN 305   6.685  14.422   4.735
  221   1HD2  ASN 305          1HD2      ASN 305   8.436  13.155   5.333
  222   2HD2  ASN 305          2HD2      ASN 305  10.006  13.368   4.642
  223    H    HIS 306           H        HIS 306   5.221  12.168   4.954
  224    HA   HIS 306           HA       HIS 306   7.194  10.233   5.491
  225   1HB   HIS 306          1HB       HIS 306   5.498  10.991   7.141
  226   2HB   HIS 306          2HB       HIS 306   4.258  10.139   6.226
  227    HD1  HIS 306           HD1      HIS 306   4.195   7.570   6.423
  228    HD2  HIS 306           HD2      HIS 306   7.201   9.361   8.664
  229    HE1  HIS 306           HE1      HIS 306   5.048   5.773   7.962
  230    HE2  HIS 306           HE2      HIS 306   6.906   6.863   9.268
  231    H    ALA 307           H        ALA 307   4.137  10.061   3.712
  232    HA   ALA 307           HA       ALA 307   4.162   7.323   3.128
  233   1HB   ALA 307          1HB       ALA 307   2.206   8.770   2.793
  234   2HB   ALA 307          2HB       ALA 307   2.604   7.860   1.336
  235   3HB   ALA 307          3HB       ALA 307   3.032   9.566   1.454
  236    H    ILE 308           H        ILE 308   5.417  10.082   1.268
  237    HA   ILE 308           HA       ILE 308   6.407   8.603  -0.906
  238    HB   ILE 308           HB       ILE 308   7.270  11.270   0.213
  239   1HG1  ILE 308          1HG1      ILE 308   5.583  10.508  -2.182
  240   2HG1  ILE 308          2HG1      ILE 308   4.982  11.176  -0.669
  241   1HG2  ILE 308          1HG2      ILE 308   8.105   9.949  -2.366
  242   2HG2  ILE 308          2HG2      ILE 308   9.144  10.340  -0.996
  243   3HG2  ILE 308          3HG2      ILE 308   8.413  11.633  -1.945
  244   1HD1  ILE 308          1HD1      ILE 308   5.085  12.855  -2.429
  245   2HD1  ILE 308          2HD1      ILE 308   6.818  12.579  -2.596
  246   3HD1  ILE 308          3HD1      ILE 308   6.172  13.250  -1.099
  247    H    ASN 309           H        ASN 309   7.756   9.337   2.240
  248    HA   ASN 309           HA       ASN 309  10.432   8.610   1.696
  249   1HB   ASN 309          1HB       ASN 309   9.765   9.944   3.659
  250   2HB   ASN 309          2HB       ASN 309   8.934   8.542   4.324
  251   1HD2  ASN 309          1HD2      ASN 309  12.011   9.989   3.626
  252   2HD2  ASN 309          2HD2      ASN 309  12.962   8.920   4.594
  253    H    TYR 310           H        TYR 310   7.719   6.789   3.093
  254    HA   TYR 310           HA       TYR 310   9.117   4.391   3.538
  255   1HB   TYR 310          1HB       TYR 310   6.976   4.812   4.598
  256   2HB   TYR 310          2HB       TYR 310   6.175   4.879   3.032
  257    HD1  TYR 310           HD1      TYR 310   8.227   2.544   5.109
  258    HD2  TYR 310           HD2      TYR 310   5.098   2.986   2.261
  259    HE1  TYR 310           HE1      TYR 310   7.765   0.133   5.252
  260    HE2  TYR 310           HE2      TYR 310   4.626   0.578   2.396
  261    HH   TYR 310           HH       TYR 310   5.784  -1.496   3.030
  262    H    VAL 311           H        VAL 311   6.969   5.317   0.844
  263    HA   VAL 311           HA       VAL 311   7.285   3.001  -0.678
  264    HB   VAL 311           HB       VAL 311   6.810   5.811  -1.689
  265   1HG1  VAL 311          1HG1      VAL 311   7.494   4.295  -3.470
  266   2HG1  VAL 311          2HG1      VAL 311   5.789   4.715  -3.626
  267   3HG1  VAL 311          3HG1      VAL 311   6.254   3.141  -2.980
  268   1HG2  VAL 311          1HG2      VAL 311   5.175   5.122  -0.003
  269   2HG2  VAL 311          2HG2      VAL 311   4.844   3.653  -0.921
  270   3HG2  VAL 311          3HG2      VAL 311   4.440   5.229  -1.603
  271    H    ASN 312           H        ASN 312   9.197   5.981  -0.619
  272    HA   ASN 312           HA       ASN 312  10.904   5.290  -2.770
  273   1HB   ASN 312          1HB       ASN 312  10.688   7.603  -1.994
  274   2HB   ASN 312          2HB       ASN 312  11.389   7.161  -0.440
  275   1HD2  ASN 312          1HD2      ASN 312  12.004   7.695  -3.817
  276   2HD2  ASN 312          2HD2      ASN 312  13.725   7.786  -3.697
  277    H    LYS 313           H        LYS 313  10.896   4.566   0.641
  278    HA   LYS 313           HA       LYS 313  13.565   3.691   0.892
  279   1HB   LYS 313          1HB       LYS 313  12.150   4.182   2.834
  280   2HB   LYS 313          2HB       LYS 313  11.104   2.830   2.427
  281   1HG   LYS 313          1HG       LYS 313  12.975   1.286   2.793
  282   2HG   LYS 313          2HG       LYS 313  13.997   2.654   3.243
  283   1HD   LYS 313          1HD       LYS 313  12.537   3.158   5.119
  284   2HD   LYS 313          2HD       LYS 313  11.451   1.847   4.649
  285   1HE   LYS 313          1HE       LYS 313  13.250   0.229   5.026
  286   2HE   LYS 313          2HE       LYS 313  14.330   1.540   5.501
  287   1HZ   LYS 313          1HZ       LYS 313  11.815   0.793   6.897
  288   2HZ   LYS 313          2HZ       LYS 313  12.873   2.029   7.358
  289   3HZ   LYS 313          3HZ       LYS 313  13.379   0.417   7.421
  290    H    ILE 314           H        ILE 314  10.551   1.869   0.345
  291    HA   ILE 314           HA       ILE 314  11.754  -0.656   0.066
  292    HB   ILE 314           HB       ILE 314   9.201   0.316  -1.228
  293   1HG1  ILE 314          1HG1      ILE 314   9.595  -1.111   1.412
  294   2HG1  ILE 314          2HG1      ILE 314   9.258   0.609   1.245
  295   1HG2  ILE 314          1HG2      ILE 314   8.580  -2.058  -1.261
  296   2HG2  ILE 314          2HG2      ILE 314  10.171  -2.476  -0.627
  297   3HG2  ILE 314          3HG2      ILE 314  10.024  -1.742  -2.223
  298   1HD1  ILE 314          1HD1      ILE 314   7.427  -1.531   0.203
  299   2HD1  ILE 314          2HD1      ILE 314   7.091   0.189   0.398
  300   3HD1  ILE 314          3HD1      ILE 314   7.296  -0.838   1.817
  301    H    LYS 315           H        LYS 315  11.018   1.871  -2.285
  302    HA   LYS 315           HA       LYS 315  11.703   0.392  -4.593
  303   1HB   LYS 315          1HB       LYS 315  10.336   2.444  -4.639
  304   2HB   LYS 315          2HB       LYS 315  11.742   3.384  -4.164
  305   1HG   LYS 315          1HG       LYS 315  12.853   2.870  -6.233
  306   2HG   LYS 315          2HG       LYS 315  11.552   1.771  -6.698
  307   1HD   LYS 315          1HD       LYS 315   9.982   3.637  -6.759
  308   2HD   LYS 315          2HD       LYS 315  11.260   4.743  -6.249
  309   1HE   LYS 315          1HE       LYS 315  11.259   3.122  -8.795
  310   2HE   LYS 315          2HE       LYS 315  10.848   4.832  -8.675
  311   1HZ   LYS 315          1HZ       LYS 315  13.137   4.498  -9.389
  312   2HZ   LYS 315          2HZ       LYS 315  13.477   3.647  -7.967
  313   3HZ   LYS 315          3HZ       LYS 315  13.078   5.289  -7.894
  314    H    ASN 316           H        ASN 316  13.586   2.262  -2.312
  315    HA   ASN 316           HA       ASN 316  15.951   2.288  -3.965
  316   1HB   ASN 316          1HB       ASN 316  15.538   4.133  -2.420
  317   2HB   ASN 316          2HB       ASN 316  15.563   3.021  -1.056
  318   1HD2  ASN 316          1HD2      ASN 316  17.468   4.621  -3.487
  319   2HD2  ASN 316          2HD2      ASN 316  19.007   4.336  -2.755
  320    H    ARG 317           H        ARG 317  14.617   0.274  -1.455
  321    HA   ARG 317           HA       ARG 317  17.063  -1.083  -0.844
  322   1HB   ARG 317          1HB       ARG 317  14.177  -1.746  -0.255
  323   2HB   ARG 317          2HB       ARG 317  15.529  -2.717   0.307
  324   1HG   ARG 317          1HG       ARG 317  15.289   0.206   0.944
  325   2HG   ARG 317          2HG       ARG 317  14.541  -1.044   1.937
  326   1HD   ARG 317          1HD       ARG 317  16.646  -0.517   2.919
  327   2HD   ARG 317          2HD       ARG 317  16.799  -2.100   2.160
  328    HE   ARG 317           HE       ARG 317  17.626  -0.095   0.358
  329   1HH1  ARG 317          1HH1      ARG 317  18.637  -1.687   3.291
  330   2HH1  ARG 317          2HH1      ARG 317  20.326  -1.449   2.989
  331   1HH2  ARG 317          1HH2      ARG 317  19.847   0.222  -0.044
  332   2HH2  ARG 317          2HH2      ARG 317  21.013  -0.361   1.097
  333    H    PHE 318           H        PHE 318  14.134  -2.005  -2.653
  334    HA   PHE 318           HA       PHE 318  15.503  -4.345  -3.710
  335   1HB   PHE 318          1HB       PHE 318  12.670  -3.345  -4.063
  336   2HB   PHE 318          2HB       PHE 318  13.294  -4.835  -4.764
  337    HD1  PHE 318           HD1      PHE 318  13.935  -6.713  -3.302
  338    HD2  PHE 318           HD2      PHE 318  12.060  -3.213  -1.772
  339    HE1  PHE 318           HE1      PHE 318  13.366  -7.927  -1.239
  340    HE2  PHE 318           HE2      PHE 318  11.488  -4.420   0.295
  341    HZ   PHE 318           HZ       PHE 318  12.142  -6.779   0.563
  342    H    GLN 319           H        GLN 319  16.594  -1.867  -4.507
  343    HA   GLN 319           HA       GLN 319  15.677  -1.001  -7.031
  344   1HB   GLN 319          1HB       GLN 319  17.190   0.321  -5.592
  345   2HB   GLN 319          2HB       GLN 319  18.471  -0.848  -5.879
  346   1HG   GLN 319          1HG       GLN 319  18.411  -0.307  -8.270
  347   2HG   GLN 319          2HG       GLN 319  17.155   0.889  -7.957
  348   1HE2  GLN 319          1HE2      GLN 319  18.365   1.702  -5.418
  349   2HE2  GLN 319          2HE2      GLN 319  19.740   2.663  -5.834
  350    H    GLY 320           H        GLY 320  17.576  -3.718  -6.040
  351   1HA   GLY 320          1HA       GLY 320  18.645  -4.201  -8.697
  352   2HA   GLY 320          2HA       GLY 320  18.895  -5.199  -7.274
  353    H    GLN 321           H        GLN 321  16.053  -5.419  -6.664
  354    HA   GLN 321           HA       GLN 321  15.308  -7.287  -8.815
  355   1HB   GLN 321          1HB       GLN 321  14.594  -7.350  -5.878
  356   2HB   GLN 321          2HB       GLN 321  14.004  -8.489  -7.081
  357   1HG   GLN 321          1HG       GLN 321  16.891  -8.087  -6.330
  358   2HG   GLN 321          2HG       GLN 321  15.853  -9.391  -5.756
  359   1HE2  GLN 321          1HE2      GLN 321  17.618  -8.102  -8.449
  360   2HE2  GLN 321          2HE2      GLN 321  17.530  -9.511  -9.447
  361    HA   PRO 322           HA       PRO 322  12.053  -4.069  -9.121
  362   1HB   PRO 322          1HB       PRO 322  11.441  -4.583 -11.715
  363   2HB   PRO 322          2HB       PRO 322  12.795  -3.554 -11.238
  364   1HG   PRO 322          1HG       PRO 322  12.804  -6.431 -12.066
  365   2HG   PRO 322          2HG       PRO 322  13.913  -5.129 -12.536
  366   1HD   PRO 322          1HD       PRO 322  14.540  -6.954 -10.641
  367   2HD   PRO 322          2HD       PRO 322  15.119  -5.277 -10.575
  368    H    ASP 323           H        ASP 323  12.082  -7.464  -9.414
  369    HA   ASP 323           HA       ASP 323   9.378  -7.923 -10.123
  370   1HB   ASP 323          1HB       ASP 323  11.252  -9.704  -8.551
  371   2HB   ASP 323          2HB       ASP 323   9.759 -10.211  -9.337
  372    H    ILE 324           H        ILE 324  11.041  -7.764  -6.990
  373    HA   ILE 324           HA       ILE 324   8.798  -8.361  -5.394
  374    HB   ILE 324           HB       ILE 324  11.135  -6.627  -4.596
  375   1HG1  ILE 324          1HG1      ILE 324  11.948  -8.724  -5.574
  376   2HG1  ILE 324          2HG1      ILE 324  12.226  -8.693  -3.837
  377   1HG2  ILE 324          1HG2      ILE 324   9.292  -6.590  -3.021
  378   2HG2  ILE 324          2HG2      ILE 324  10.658  -7.477  -2.343
  379   3HG2  ILE 324          3HG2      ILE 324   9.266  -8.353  -2.979
  380   1HD1  ILE 324          1HD1      ILE 324  11.469 -10.877  -4.574
  381   2HD1  ILE 324          2HD1      ILE 324  10.003 -10.160  -5.241
  382   3HD1  ILE 324          3HD1      ILE 324  10.286 -10.131  -3.501
  383    H    TYR 325           H        TYR 325  10.174  -5.274  -6.460
  384    HA   TYR 325           HA       TYR 325   8.466  -3.572  -5.044
  385   1HB   TYR 325          1HB       TYR 325  10.523  -2.815  -6.157
  386   2HB   TYR 325          2HB       TYR 325   9.787  -3.113  -7.728
  387    HD1  TYR 325           HD1      TYR 325   9.078  -1.204  -4.588
  388    HD2  TYR 325           HD2      TYR 325   8.884  -1.309  -8.838
  389    HE1  TYR 325           HE1      TYR 325   8.191   1.089  -4.599
  390    HE2  TYR 325           HE2      TYR 325   8.000   0.985  -8.860
  391    HH   TYR 325           HH       TYR 325   8.050   3.002  -6.129
  392    H    LYS 326           H        LYS 326   8.199  -4.774  -8.389
  393    HA   LYS 326           HA       LYS 326   5.785  -3.527  -9.023
  394   1HB   LYS 326          1HB       LYS 326   7.028  -6.081 -10.026
  395   2HB   LYS 326          2HB       LYS 326   5.536  -5.429 -10.690
  396   1HG   LYS 326          1HG       LYS 326   6.734  -3.357 -11.274
  397   2HG   LYS 326          2HG       LYS 326   8.229  -4.081 -10.677
  398   1HD   LYS 326          1HD       LYS 326   8.165  -4.328 -13.063
  399   2HD   LYS 326          2HD       LYS 326   7.923  -5.917 -12.334
  400   1HE   LYS 326          1HE       LYS 326   6.390  -5.556 -14.203
  401   2HE   LYS 326          2HE       LYS 326   5.518  -5.723 -12.680
  402   1HZ   LYS 326          1HZ       LYS 326   4.621  -3.916 -13.986
  403   2HZ   LYS 326          2HZ       LYS 326   6.135  -3.166 -14.060
  404   3HZ   LYS 326          3HZ       LYS 326   5.332  -3.305 -12.577
  405    H    ALA 327           H        ALA 327   6.388  -6.734  -7.626
  406    HA   ALA 327           HA       ALA 327   3.768  -7.661  -7.546
  407   1HB   ALA 327          1HB       ALA 327   5.941  -8.201  -5.524
  408   2HB   ALA 327          2HB       ALA 327   5.746  -9.044  -7.061
  409   3HB   ALA 327          3HB       ALA 327   4.508  -9.189  -5.815
  410    H    PHE 328           H        PHE 328   5.558  -5.739  -5.169
  411    HA   PHE 328           HA       PHE 328   3.634  -5.621  -3.164
  412   1HB   PHE 328          1HB       PHE 328   5.999  -4.813  -2.995
  413   2HB   PHE 328          2HB       PHE 328   5.542  -3.408  -3.948
  414    HD1  PHE 328           HD1      PHE 328   4.852  -1.491  -2.875
  415    HD2  PHE 328           HD2      PHE 328   4.617  -5.212  -0.824
  416    HE1  PHE 328           HE1      PHE 328   4.190  -0.312  -0.819
  417    HE2  PHE 328           HE2      PHE 328   3.952  -4.041   1.235
  418    HZ   PHE 328           HZ       PHE 328   3.738  -1.588   1.239
  419    H    LEU 329           H        LEU 329   4.252  -3.224  -5.735
  420    HA   LEU 329           HA       LEU 329   2.064  -1.583  -5.211
  421   1HB   LEU 329          1HB       LEU 329   3.467  -2.154  -7.820
  422   2HB   LEU 329          2HB       LEU 329   2.283  -0.879  -7.608
  423    HG   LEU 329           HG       LEU 329   4.917  -1.068  -6.141
  424   1HD1  LEU 329          1HD1      LEU 329   5.520   0.896  -7.511
  425   2HD1  LEU 329          2HD1      LEU 329   4.033   0.680  -8.432
  426   3HD1  LEU 329          3HD1      LEU 329   5.283  -0.565  -8.467
  427   1HD2  LEU 329          1HD2      LEU 329   2.838   1.119  -6.180
  428   2HD2  LEU 329          2HD2      LEU 329   4.398   1.185  -5.361
  429   3HD2  LEU 329          3HD2      LEU 329   3.170   0.035  -4.829
  430    H    GLU 330           H        GLU 330   2.277  -4.603  -6.960
  431    HA   GLU 330           HA       GLU 330  -0.248  -4.463  -8.235
  432   1HB   GLU 330          1HB       GLU 330   1.572  -6.749  -7.510
  433   2HB   GLU 330          2HB       GLU 330   0.003  -7.027  -8.253
  434   1HG   GLU 330          1HG       GLU 330   2.184  -5.328  -9.441
  435   2HG   GLU 330          2HG       GLU 330   1.870  -7.011  -9.864
  436    H    ILE 331           H        ILE 331   0.832  -5.547  -5.078
  437    HA   ILE 331           HA       ILE 331  -1.578  -6.777  -4.258
  438    HB   ILE 331           HB       ILE 331   0.554  -5.457  -2.567
  439   1HG1  ILE 331          1HG1      ILE 331   0.151  -8.380  -3.239
  440   2HG1  ILE 331          2HG1      ILE 331   1.335  -7.335  -4.015
  441   1HG2  ILE 331          1HG2      ILE 331  -1.656  -7.358  -1.796
  442   2HG2  ILE 331          2HG2      ILE 331  -1.508  -5.667  -1.321
  443   3HG2  ILE 331          3HG2      ILE 331  -0.339  -6.851  -0.738
  444   1HD1  ILE 331          1HD1      ILE 331   2.378  -8.699  -2.313
  445   2HD1  ILE 331          2HD1      ILE 331   1.261  -8.076  -1.099
  446   3HD1  ILE 331          3HD1      ILE 331   2.435  -6.997  -1.852
  447    H    LEU 332           H        LEU 332  -0.240  -3.560  -3.474
  448    HA   LEU 332           HA       LEU 332  -2.488  -2.578  -2.150
  449   1HB   LEU 332          1HB       LEU 332  -0.316  -1.164  -3.687
  450   2HB   LEU 332          2HB       LEU 332  -1.548  -0.313  -2.774
  451    HG   LEU 332           HG       LEU 332  -0.706  -1.819  -0.801
  452   1HD1  LEU 332          1HD1      LEU 332   0.804  -3.237  -1.916
  453   2HD1  LEU 332          2HD1      LEU 332   1.784  -2.105  -0.990
  454   3HD1  LEU 332          3HD1      LEU 332   1.590  -1.883  -2.728
  455   1HD2  LEU 332          1HD2      LEU 332   0.819  -0.061  -0.141
  456   2HD2  LEU 332          2HD2      LEU 332  -0.593   0.644  -0.928
  457   3HD2  LEU 332          3HD2      LEU 332   0.928   0.505  -1.808
  458    H    HIS 333           H        HIS 333  -1.678  -2.593  -5.582
  459    HA   HIS 333           HA       HIS 333  -3.705  -0.863  -6.476
  460   1HB   HIS 333          1HB       HIS 333  -1.895  -2.842  -7.700
  461   2HB   HIS 333          2HB       HIS 333  -3.397  -2.574  -8.577
  462    HD1  HIS 333           HD1      HIS 333  -3.247  -0.777 -10.252
  463    HD2  HIS 333           HD2      HIS 333  -0.608  -0.162  -7.102
  464    HE1  HIS 333           HE1      HIS 333  -1.974   1.310 -10.840
  465    HE2  HIS 333           HE2      HIS 333  -0.427   1.700  -8.889
  466    H    THR 334           H        THR 334  -3.638  -4.427  -6.368
  467    HA   THR 334           HA       THR 334  -6.241  -4.851  -7.278
  468    HB   THR 334           HB       THR 334  -4.752  -6.582  -5.296
  469    HG1  THR 334           HG1      THR 334  -3.642  -7.361  -6.972
  470   1HG2  THR 334          1HG2      THR 334  -6.072  -8.403  -6.297
  471   2HG2  THR 334          2HG2      THR 334  -6.925  -7.224  -7.295
  472   3HG2  THR 334          3HG2      THR 334  -7.102  -7.187  -5.541
  473    H    TYR 335           H        TYR 335  -5.012  -4.206  -4.040
  474    HA   TYR 335           HA       TYR 335  -7.374  -4.733  -2.608
  475   1HB   TYR 335          1HB       TYR 335  -5.181  -4.462  -1.525
  476   2HB   TYR 335          2HB       TYR 335  -5.164  -2.761  -1.977
  477    HD1  TYR 335           HD1      TYR 335  -6.542  -1.146  -0.798
  478    HD2  TYR 335           HD2      TYR 335  -6.615  -5.264   0.270
  479    HE1  TYR 335           HE1      TYR 335  -7.683  -0.575   1.305
  480    HE2  TYR 335           HE2      TYR 335  -7.756  -4.704   2.375
  481    HH   TYR 335           HH       TYR 335  -9.127  -1.656   2.971
  482    H    GLN 336           H        GLN 336  -6.126  -1.772  -4.095
  483    HA   GLN 336           HA       GLN 336  -8.243  -0.092  -3.254
  484   1HB   GLN 336          1HB       GLN 336  -6.083   0.796  -3.987
  485   2HB   GLN 336          2HB       GLN 336  -6.364   0.181  -5.609
  486   1HG   GLN 336          1HG       GLN 336  -8.311   1.674  -5.809
  487   2HG   GLN 336          2HG       GLN 336  -7.948   2.324  -4.211
  488   1HE2  GLN 336          1HE2      GLN 336  -5.485   1.418  -6.510
  489   2HE2  GLN 336          2HE2      GLN 336  -4.933   3.020  -6.848
  490    H    LYS 337           H        LYS 337  -7.812  -2.246  -5.971
  491    HA   LYS 337           HA       LYS 337  -9.932  -1.260  -7.571
  492   1HB   LYS 337          1HB       LYS 337  -8.172  -2.657  -8.504
  493   2HB   LYS 337          2HB       LYS 337  -8.661  -4.000  -7.482
  494   1HG   LYS 337          1HG       LYS 337 -10.798  -4.121  -8.643
  495   2HG   LYS 337          2HG       LYS 337 -10.333  -2.750  -9.652
  496   1HD   LYS 337          1HD       LYS 337  -8.436  -4.054 -10.519
  497   2HD   LYS 337          2HD       LYS 337  -8.948  -5.428  -9.536
  498   1HE   LYS 337          1HE       LYS 337  -9.688  -5.647 -11.862
  499   2HE   LYS 337          2HE       LYS 337 -11.051  -5.540 -10.748
  500   1HZ   LYS 337          1HZ       LYS 337 -11.296  -3.209 -11.328
  501   2HZ   LYS 337          2HZ       LYS 337 -11.392  -4.175 -12.713
  502   3HZ   LYS 337          3HZ       LYS 337  -9.979  -3.304 -12.386
  503    H    GLU 338           H        GLU 338  -9.728  -3.934  -5.242
  504    HA   GLU 338           HA       GLU 338 -12.405  -4.778  -5.513
  505   1HB   GLU 338          1HB       GLU 338 -10.529  -5.055  -3.157
  506   2HB   GLU 338          2HB       GLU 338 -12.040  -5.930  -3.354
  507   1HG   GLU 338          1HG       GLU 338  -9.636  -6.129  -5.152
  508   2HG   GLU 338          2HG       GLU 338 -10.132  -7.311  -3.943
  509    H    GLN 339           H        GLN 339 -10.832  -2.499  -3.310
  510    HA   GLN 339           HA       GLN 339 -13.093  -1.952  -1.716
  511   1HB   GLN 339          1HB       GLN 339 -10.791  -1.377  -1.049
  512   2HB   GLN 339          2HB       GLN 339 -10.723  -0.173  -2.328
  513   1HG   GLN 339          1HG       GLN 339 -11.138   0.869  -0.183
  514   2HG   GLN 339          2HG       GLN 339 -12.522   1.077  -1.255
  515   1HE2  GLN 339          1HE2      GLN 339 -13.939   1.419   0.445
  516   2HE2  GLN 339          2HE2      GLN 339 -14.448   0.147   1.497
  517    H    ARG 340           H        ARG 340 -11.888  -0.557  -4.718
  518    HA   ARG 340           HA       ARG 340 -13.657   1.641  -4.830
  519   1HB   ARG 340          1HB       ARG 340 -11.642   1.518  -6.215
  520   2HB   ARG 340          2HB       ARG 340 -12.303   0.138  -7.079
  521   1HG   ARG 340          1HG       ARG 340 -14.126   1.558  -7.917
  522   2HG   ARG 340          2HG       ARG 340 -13.410   2.940  -7.085
  523   1HD   ARG 340          1HD       ARG 340 -11.389   2.718  -8.428
  524   2HD   ARG 340          2HD       ARG 340 -12.063   1.300  -9.230
  525    HE   ARG 340           HE       ARG 340 -13.864   3.376  -9.607
  526   1HH1  ARG 340          1HH1      ARG 340 -10.569   2.626 -10.461
  527   2HH1  ARG 340          2HH1      ARG 340 -10.603   3.551 -11.925
  528   1HH2  ARG 340          1HH2      ARG 340 -13.915   4.595 -11.533
  529   2HH2  ARG 340          2HH2      ARG 340 -12.503   4.668 -12.534
  530    H    ASN 341           H        ASN 341 -13.829  -1.615  -6.238
  531    HA   ASN 341           HA       ASN 341 -16.317  -1.276  -7.517
  532   1HB   ASN 341          1HB       ASN 341 -15.066  -3.824  -6.462
  533   2HB   ASN 341          2HB       ASN 341 -16.377  -3.729  -7.634
  534   1HD2  ASN 341          1HD2      ASN 341 -15.220  -1.411  -8.977
  535   2HD2  ASN 341          2HD2      ASN 341 -13.892  -2.012  -9.904
  536    H    ALA 342           H        ALA 342 -15.426  -2.119  -4.244
  537    HA   ALA 342           HA       ALA 342 -17.933  -3.107  -3.391
  538   1HB   ALA 342          1HB       ALA 342 -15.770  -1.794  -1.748
  539   2HB   ALA 342          2HB       ALA 342 -15.849  -3.507  -2.164
  540   3HB   ALA 342          3HB       ALA 342 -17.089  -2.791  -1.132
  541    H    LYS 343           H        LYS 343 -16.437   0.106  -2.911
  542    HA   LYS 343           HA       LYS 343 -18.758   1.237  -1.741
  543   1HB   LYS 343          1HB       LYS 343 -17.622   3.398  -2.041
  544   2HB   LYS 343          2HB       LYS 343 -16.563   2.191  -1.328
  545   1HG   LYS 343          1HG       LYS 343 -15.471   1.849  -3.466
  546   2HG   LYS 343          2HG       LYS 343 -16.566   3.005  -4.227
  547   1HD   LYS 343          1HD       LYS 343 -15.706   4.776  -2.771
  548   2HD   LYS 343          2HD       LYS 343 -14.615   3.620  -2.006
  549   1HE   LYS 343          1HE       LYS 343 -13.493   3.260  -4.146
  550   2HE   LYS 343          2HE       LYS 343 -14.593   4.397  -4.922
  551   1HZ   LYS 343          1HZ       LYS 343 -12.459   5.412  -4.370
  552   2HZ   LYS 343          2HZ       LYS 343 -12.703   5.071  -2.731
  553   3HZ   LYS 343          3HZ       LYS 343 -13.727   6.154  -3.529
  554    H    GLU 344           H        GLU 344 -17.713   0.821  -5.029
  555    HA   GLU 344           HA       GLU 344 -19.588   2.729  -6.107
  556   1HB   GLU 344          1HB       GLU 344 -17.754   0.690  -7.350
  557   2HB   GLU 344          2HB       GLU 344 -18.909   1.605  -8.310
  558   1HG   GLU 344          1HG       GLU 344 -16.737   2.798  -6.602
  559   2HG   GLU 344          2HG       GLU 344 -16.663   2.584  -8.351
  560    H    ALA 345           H        ALA 345 -19.582  -0.618  -5.262
  561    HA   ALA 345           HA       ALA 345 -21.669  -1.528  -6.925
  562   1HB   ALA 345          1HB       ALA 345 -20.165  -3.043  -5.729
  563   2HB   ALA 345          2HB       ALA 345 -21.854  -3.394  -5.363
  564   3HB   ALA 345          3HB       ALA 345 -20.861  -2.524  -4.194
  565    H    GLY 346           H        GLY 346 -21.644  -0.004  -3.742
  566   1HA   GLY 346          1HA       GLY 346 -23.312   1.011  -2.537
  567   2HA   GLY 346          2HA       GLY 346 -24.225   1.087  -4.036
  568    H    GLY 347           H        GLY 347 -23.592  -0.768  -1.142
  569   1HA   GLY 347          1HA       GLY 347 -25.729  -1.704  -0.198
  570   2HA   GLY 347          2HA       GLY 347 -25.936  -2.449  -1.775
  571    H    ASN 348           H        ASN 348 -26.045  -4.492  -0.716
  572    HA   ASN 348           HA       ASN 348 -23.924  -5.506   0.870
  573   1HB   ASN 348          1HB       ASN 348 -26.171  -6.456   0.985
  574   2HB   ASN 348          2HB       ASN 348 -26.061  -6.965  -0.697
  575   1HD2  ASN 348          1HD2      ASN 348 -23.389  -7.146   1.544
  576   2HD2  ASN 348          2HD2      ASN 348 -23.340  -8.869   1.646
  577    H    TYR 349           H        TYR 349 -21.960  -6.085   0.244
  578    HA   TYR 349           HA       TYR 349 -21.486  -7.664  -2.076
  579   1HB   TYR 349          1HB       TYR 349 -21.725  -5.462  -3.162
  580   2HB   TYR 349          2HB       TYR 349 -20.454  -4.820  -2.130
  581    HD1  TYR 349           HD1      TYR 349 -18.143  -5.258  -2.591
  582    HD2  TYR 349           HD2      TYR 349 -21.185  -7.106  -4.923
  583    HE1  TYR 349           HE1      TYR 349 -16.452  -5.957  -4.234
  584    HE2  TYR 349           HE2      TYR 349 -19.501  -7.809  -6.572
  585    HH   TYR 349           HH       TYR 349 -17.265  -7.167  -7.312
  586    H    THR 350           H        THR 350 -19.522  -8.683  -1.992
  587    HA   THR 350           HA       THR 350 -17.699  -7.861   0.165
  588    HB   THR 350           HB       THR 350 -18.869  -9.819   0.951
  589    HG1  THR 350           HG1      THR 350 -16.177  -9.944   0.275
  590   1HG2  THR 350          1HG2      THR 350 -19.634 -10.720  -1.176
  591   2HG2  THR 350          2HG2      THR 350 -18.764 -11.958  -0.270
  592   3HG2  THR 350          3HG2      THR 350 -17.978 -11.135  -1.618
  593    HA   PRO 351           HA       PRO 351 -14.718  -8.191  -3.130
  594   1HB   PRO 351          1HB       PRO 351 -12.558  -7.366  -1.793
  595   2HB   PRO 351          2HB       PRO 351 -13.898  -6.265  -2.137
  596   1HG   PRO 351          1HG       PRO 351 -13.165  -7.620   0.409
  597   2HG   PRO 351          2HG       PRO 351 -13.877  -6.020   0.149
  598   1HD   PRO 351          1HD       PRO 351 -15.253  -8.368   0.863
  599   2HD   PRO 351          2HD       PRO 351 -15.980  -6.851   0.304
  600    H    ALA 352           H        ALA 352 -13.154  -9.592  -3.876
  601    HA   ALA 352           HA       ALA 352 -12.859 -12.069  -2.455
  602   1HB   ALA 352          1HB       ALA 352 -11.615 -12.810  -4.422
  603   2HB   ALA 352          2HB       ALA 352 -11.611 -11.161  -5.046
  604   3HB   ALA 352          3HB       ALA 352 -13.133 -12.037  -4.881
  605    H    LEU 353           H        LEU 353 -11.325  -9.179  -2.166
  606    HA   LEU 353           HA       LEU 353  -8.970 -10.444  -0.979
  607   1HB   LEU 353          1HB       LEU 353  -8.409  -9.651  -3.287
  608   2HB   LEU 353          2HB       LEU 353  -8.802  -8.022  -2.775
  609    HG   LEU 353           HG       LEU 353  -6.729  -9.553  -1.259
  610   1HD1  LEU 353          1HD1      LEU 353  -5.003  -8.790  -2.775
  611   2HD1  LEU 353          2HD1      LEU 353  -6.217  -8.074  -3.834
  612   3HD1  LEU 353          3HD1      LEU 353  -6.146  -9.824  -3.633
  613   1HD2  LEU 353          1HD2      LEU 353  -5.781  -7.243  -1.083
  614   2HD2  LEU 353          2HD2      LEU 353  -7.362  -7.450  -0.332
  615   3HD2  LEU 353          3HD2      LEU 353  -7.229  -6.652  -1.899
  616    H    THR 354           H        THR 354  -8.832  -9.809   1.061
  617    HA   THR 354           HA       THR 354  -9.861  -7.140   1.779
  618    HB   THR 354           HB       THR 354 -10.328  -8.044   4.028
  619    HG1  THR 354           HG1      THR 354  -8.856 -10.090   3.130
  620   1HG2  THR 354          1HG2      THR 354 -12.261  -9.436   3.407
  621   2HG2  THR 354          2HG2      THR 354 -11.615  -9.590   1.773
  622   3HG2  THR 354          3HG2      THR 354 -12.120  -8.013   2.378
  623    H    GLU 355           H        GLU 355  -8.936  -6.780   4.250
  624    HA   GLU 355           HA       GLU 355  -6.250  -6.039   3.882
  625   1HB   GLU 355          1HB       GLU 355  -7.725  -6.385   6.500
  626   2HB   GLU 355          2HB       GLU 355  -6.272  -5.428   6.239
  627   1HG   GLU 355          1HG       GLU 355  -7.499  -3.911   4.802
  628   2HG   GLU 355          2HG       GLU 355  -8.953  -4.893   4.979
  629    H    GLN 356           H        GLN 356  -7.736  -8.887   5.270
  630    HA   GLN 356           HA       GLN 356  -5.466  -9.931   6.578
  631   1HB   GLN 356          1HB       GLN 356  -7.713 -10.742   7.059
  632   2HB   GLN 356          2HB       GLN 356  -7.872 -11.346   5.415
  633   1HG   GLN 356          1HG       GLN 356  -6.054 -12.935   5.835
  634   2HG   GLN 356          2HG       GLN 356  -5.930 -12.340   7.490
  635   1HE2  GLN 356          1HE2      GLN 356  -7.843 -14.160   5.228
  636   2HE2  GLN 356          2HE2      GLN 356  -8.876 -14.907   6.394
  637    H    GLU 357           H        GLU 357  -6.857 -10.676   3.383
  638    HA   GLU 357           HA       GLU 357  -4.962 -12.526   2.549
  639   1HB   GLU 357          1HB       GLU 357  -7.110 -11.991   1.383
  640   2HB   GLU 357          2HB       GLU 357  -6.367 -10.515   0.783
  641   1HG   GLU 357          1HG       GLU 357  -4.765 -11.756  -0.485
  642   2HG   GLU 357          2HG       GLU 357  -5.300 -13.273   0.237
  643    H    VAL 358           H        VAL 358  -4.881  -9.000   2.440
  644    HA   VAL 358           HA       VAL 358  -2.567  -8.729   0.856
  645    HB   VAL 358           HB       VAL 358  -3.742  -6.903   2.956
  646   1HG1  VAL 358          1HG1      VAL 358  -2.286  -5.143   1.990
  647   2HG1  VAL 358          2HG1      VAL 358  -1.448  -6.388   1.064
  648   3HG1  VAL 358          3HG1      VAL 358  -1.385  -6.407   2.827
  649   1HG2  VAL 358          1HG2      VAL 358  -4.480  -5.602   1.029
  650   2HG2  VAL 358          2HG2      VAL 358  -5.106  -7.250   0.957
  651   3HG2  VAL 358          3HG2      VAL 358  -3.741  -6.779  -0.056
  652    H    TYR 359           H        TYR 359  -2.918  -8.502   4.401
  653    HA   TYR 359           HA       TYR 359  -0.275  -8.276   5.102
  654   1HB   TYR 359          1HB       TYR 359  -2.209  -8.161   6.665
  655   2HB   TYR 359          2HB       TYR 359  -2.344  -9.915   6.581
  656    HD1  TYR 359           HD1      TYR 359  -0.201  -7.126   7.710
  657    HD2  TYR 359           HD2      TYR 359  -0.913 -11.318   7.863
  658    HE1  TYR 359           HE1      TYR 359   1.406  -7.326   9.561
  659    HE2  TYR 359           HE2      TYR 359   0.692 -11.530   9.713
  660    HH   TYR 359           HH       TYR 359   1.894  -8.851  11.420
  661    H    ALA 360           H        ALA 360  -2.056 -11.192   4.244
  662    HA   ALA 360           HA       ALA 360  -0.075 -13.064   4.964
  663   1HB   ALA 360          1HB       ALA 360  -2.399 -13.690   4.560
  664   2HB   ALA 360          2HB       ALA 360  -1.302 -14.630   3.550
  665   3HB   ALA 360          3HB       ALA 360  -2.216 -13.293   2.852
  666    H    GLN 361           H        GLN 361  -0.912 -11.784   1.734
  667    HA   GLN 361           HA       GLN 361   1.198 -13.007   0.361
  668   1HB   GLN 361          1HB       GLN 361  -0.302 -10.461  -0.269
  669   2HB   GLN 361          2HB       GLN 361   0.783 -11.276  -1.387
  670   1HG   GLN 361          1HG       GLN 361  -0.658 -13.274  -1.278
  671   2HG   GLN 361          2HG       GLN 361  -1.767 -12.384  -0.237
  672   1HE2  GLN 361          1HE2      GLN 361  -1.357  -9.876  -1.667
  673   2HE2  GLN 361          2HE2      GLN 361  -2.222 -10.024  -3.154
  674    H    VAL 362           H        VAL 362   0.965  -9.687   1.633
  675    HA   VAL 362           HA       VAL 362   3.467  -8.782   0.850
  676    HB   VAL 362           HB       VAL 362   2.050  -8.035   3.417
  677   1HG1  VAL 362          1HG1      VAL 362   3.248  -5.916   3.185
  678   2HG1  VAL 362          2HG1      VAL 362   4.060  -6.530   1.745
  679   3HG1  VAL 362          3HG1      VAL 362   4.365  -7.274   3.315
  680   1HG2  VAL 362          1HG2      VAL 362   0.937  -6.302   2.197
  681   2HG2  VAL 362          2HG2      VAL 362   0.625  -7.830   1.374
  682   3HG2  VAL 362          3HG2      VAL 362   1.814  -6.706   0.721
  683    H    ALA 363           H        ALA 363   2.514 -10.648   3.692
  684    HA   ALA 363           HA       ALA 363   5.074 -10.562   4.943
  685   1HB   ALA 363          1HB       ALA 363   2.821 -12.526   5.349
  686   2HB   ALA 363          2HB       ALA 363   3.020 -10.995   6.204
  687   3HB   ALA 363          3HB       ALA 363   4.200 -12.287   6.422
  688    H    ARG 364           H        ARG 364   3.545 -12.662   2.602
  689    HA   ARG 364           HA       ARG 364   5.344 -14.828   2.765
  690   1HB   ARG 364          1HB       ARG 364   3.065 -14.684   1.567
  691   2HB   ARG 364          2HB       ARG 364   3.957 -13.971   0.232
  692   1HG   ARG 364          1HG       ARG 364   4.774 -16.608   1.391
  693   2HG   ARG 364          2HG       ARG 364   3.475 -16.494   0.203
  694   1HD   ARG 364          1HD       ARG 364   5.028 -15.357  -1.339
  695   2HD   ARG 364          2HD       ARG 364   6.319 -15.559  -0.156
  696    HE   ARG 364           HE       ARG 364   5.186 -18.065  -0.705
  697   1HH1  ARG 364          1HH1      ARG 364   7.129 -15.613  -2.241
  698   2HH1  ARG 364          2HH1      ARG 364   7.947 -16.734  -3.278
  699   1HH2  ARG 364          1HH2      ARG 364   6.258 -19.544  -2.068
  700   2HH2  ARG 364          2HH2      ARG 364   7.453 -18.964  -3.179
  701    H    LEU 365           H        LEU 365   5.334 -11.847   0.873
  702    HA   LEU 365           HA       LEU 365   7.693 -12.486  -0.609
  703   1HB   LEU 365          1HB       LEU 365   6.329  -9.837  -0.125
  704   2HB   LEU 365          2HB       LEU 365   7.633 -10.097  -1.268
  705    HG   LEU 365           HG       LEU 365   4.913 -11.403  -1.415
  706   1HD1  LEU 365          1HD1      LEU 365   4.538  -9.931  -3.323
  707   2HD1  LEU 365          2HD1      LEU 365   6.100  -9.160  -3.043
  708   3HD1  LEU 365          3HD1      LEU 365   4.812  -9.003  -1.848
  709   1HD2  LEU 365          1HD2      LEU 365   6.673 -12.788  -2.377
  710   2HD2  LEU 365          2HD2      LEU 365   7.233 -11.424  -3.345
  711   3HD2  LEU 365          3HD2      LEU 365   5.640 -12.120  -3.640
  712    H    PHE 366           H        PHE 366   7.008 -10.592   2.299
  713    HA   PHE 366           HA       PHE 366   9.864 -10.048   2.626
  714   1HB   PHE 366          1HB       PHE 366   7.518  -9.033   4.247
  715   2HB   PHE 366          2HB       PHE 366   9.192  -8.516   4.415
  716    HD1  PHE 366           HD1      PHE 366  10.001  -8.216   1.599
  717    HD2  PHE 366           HD2      PHE 366   6.382  -7.138   3.561
  718    HE1  PHE 366           HE1      PHE 366   9.623  -6.452  -0.073
  719    HE2  PHE 366           HE2      PHE 366   5.997  -5.374   1.891
  720    HZ   PHE 366           HZ       PHE 366   7.618  -5.029   0.070
  721    H    LYS 367           H        LYS 367  10.731 -11.955   3.310
  722    HA   LYS 367           HA       LYS 367   9.563 -13.282   5.640
  723   1HB   LYS 367          1HB       LYS 367  10.217 -14.645   3.674
  724   2HB   LYS 367          2HB       LYS 367  11.883 -14.125   3.892
  725   1HG   LYS 367          1HG       LYS 367  11.957 -15.217   6.064
  726   2HG   LYS 367          2HG       LYS 367  10.272 -15.712   5.883
  727   1HD   LYS 367          1HD       LYS 367  10.856 -17.054   3.940
  728   2HD   LYS 367          2HD       LYS 367  12.534 -16.519   4.053
  729   1HE   LYS 367          1HE       LYS 367  12.713 -17.574   6.257
  730   2HE   LYS 367          2HE       LYS 367  11.039 -18.112   6.135
  731   1HZ   LYS 367          1HZ       LYS 367  13.242 -18.912   4.309
  732   2HZ   LYS 367          2HZ       LYS 367  11.638 -19.442   4.215
  733   3HZ   LYS 367          3HZ       LYS 367  12.591 -19.869   5.544
  734    H    ASN 368           H        ASN 368  12.014 -11.088   4.802
  735    HA   ASN 368           HA       ASN 368  13.196 -11.353   7.483
  736   1HB   ASN 368          1HB       ASN 368  15.393 -10.739   6.518
  737   2HB   ASN 368          2HB       ASN 368  14.790 -12.269   5.890
  738   1HD2  ASN 368          1HD2      ASN 368  14.057 -12.379   3.758
  739   2HD2  ASN 368          2HD2      ASN 368  14.479 -11.178   2.590
  740    H    GLN 369           H        GLN 369  11.530  -9.444   5.357
  741    HA   GLN 369           HA       GLN 369  12.628  -6.941   6.435
  742   1HB   GLN 369          1HB       GLN 369  10.808  -7.420   4.069
  743   2HB   GLN 369          2HB       GLN 369  11.342  -5.837   4.617
  744   1HG   GLN 369          1HG       GLN 369  13.116  -8.048   3.605
  745   2HG   GLN 369          2HG       GLN 369  12.642  -6.603   2.713
  746   1HE2  GLN 369          1HE2      GLN 369  13.522  -4.613   3.286
  747   2HE2  GLN 369          2HE2      GLN 369  14.939  -4.485   4.265
  748    H    GLU 370           H        GLU 370  11.343  -8.101   8.370
  749    HA   GLU 370           HA       GLU 370   8.543  -7.829   8.469
  750   1HB   GLU 370          1HB       GLU 370   8.828  -7.993  10.925
  751   2HB   GLU 370          2HB       GLU 370   9.708  -9.239  10.050
  752   1HG   GLU 370          1HG       GLU 370  11.777  -7.974  10.320
  753   2HG   GLU 370          2HG       GLU 370  10.896  -6.720  11.191
  754    H    ASP 371           H        ASP 371  11.113  -5.550   8.831
  755    HA   ASP 371           HA       ASP 371   9.875  -3.568  10.357
  756   1HB   ASP 371          1HB       ASP 371  12.267  -3.548   9.755
  757   2HB   ASP 371          2HB       ASP 371  11.837  -3.206   8.082
  758    H    LEU 372           H        LEU 372   9.802  -4.150   6.860
  759    HA   LEU 372           HA       LEU 372   8.323  -1.866   6.156
  760   1HB   LEU 372          1HB       LEU 372   8.843  -4.510   4.870
  761   2HB   LEU 372          2HB       LEU 372   7.608  -3.470   4.189
  762    HG   LEU 372           HG       LEU 372   9.229  -1.721   3.776
  763   1HD1  LEU 372          1HD1      LEU 372  11.204  -3.561   5.113
  764   2HD1  LEU 372          2HD1      LEU 372  10.670  -1.979   5.684
  765   3HD1  LEU 372          3HD1      LEU 372  11.631  -2.107   4.211
  766   1HD2  LEU 372          1HD2      LEU 372   8.994  -3.400   2.053
  767   2HD2  LEU 372          2HD2      LEU 372  10.190  -4.424   2.847
  768   3HD2  LEU 372          3HD2      LEU 372  10.675  -2.877   2.151
  769    H    LEU 373           H        LEU 373   7.324  -5.094   7.170
  770    HA   LEU 373           HA       LEU 373   4.564  -4.756   6.652
  771   1HB   LEU 373          1HB       LEU 373   6.223  -6.656   8.225
  772   2HB   LEU 373          2HB       LEU 373   4.510  -6.583   8.598
  773    HG   LEU 373           HG       LEU 373   5.676  -7.176   5.875
  774   1HD1  LEU 373          1HD1      LEU 373   6.113  -9.022   7.320
  775   2HD1  LEU 373          2HD1      LEU 373   4.731  -9.444   6.309
  776   3HD1  LEU 373          3HD1      LEU 373   4.481  -8.958   7.983
  777   1HD2  LEU 373          1HD2      LEU 373   3.512  -6.072   5.731
  778   2HD2  LEU 373          2HD2      LEU 373   2.828  -7.232   6.870
  779   3HD2  LEU 373          3HD2      LEU 373   3.372  -7.772   5.282
  780    H    SER 374           H        SER 374   6.600  -4.030   9.433
  781    HA   SER 374           HA       SER 374   4.520  -3.471  11.263
  782   1HB   SER 374          1HB       SER 374   6.833  -3.833  11.996
  783   2HB   SER 374          2HB       SER 374   7.339  -2.365  11.160
  784    HG   SER 374           HG       SER 374   5.331  -2.329  13.146
  785    H    GLU 375           H        GLU 375   6.544  -1.269   9.323
  786    HA   GLU 375           HA       GLU 375   5.204   1.093   9.962
  787   1HB   GLU 375          1HB       GLU 375   6.663   0.352   7.417
  788   2HB   GLU 375          2HB       GLU 375   6.186   1.985   7.858
  789   1HG   GLU 375          1HG       GLU 375   8.085   0.239   9.409
  790   2HG   GLU 375          2HG       GLU 375   8.544   1.551   8.324
  791    H    PHE 376           H        PHE 376   4.502  -1.392   7.594
  792    HA   PHE 376           HA       PHE 376   2.437   0.092   6.270
  793   1HB   PHE 376          1HB       PHE 376   3.672  -1.692   5.111
  794   2HB   PHE 376          2HB       PHE 376   3.035  -2.876   6.247
  795    HD1  PHE 376           HD1      PHE 376   1.954  -0.373   3.719
  796    HD2  PHE 376           HD2      PHE 376   1.065  -3.992   5.772
  797    HE1  PHE 376           HE1      PHE 376   0.007  -0.720   2.255
  798    HE2  PHE 376           HE2      PHE 376  -0.882  -4.347   4.311
  799    HZ   PHE 376           HZ       PHE 376  -1.413  -2.710   2.550
  800    H    GLY 377           H        GLY 377   2.661  -1.915   9.072
  801   1HA   GLY 377          1HA       GLY 377  -0.162  -2.495   9.229
  802   2HA   GLY 377          2HA       GLY 377   1.046  -2.833  10.461
  803    H    GLN 378           H        GLN 378   1.973   0.001  10.371
  804    HA   GLN 378           HA       GLN 378   0.536   1.022  12.518
  805   1HB   GLN 378          1HB       GLN 378   2.190   2.475  10.448
  806   2HB   GLN 378          2HB       GLN 378   1.611   3.209  11.936
  807   1HG   GLN 378          1HG       GLN 378   3.441   0.825  11.768
  808   2HG   GLN 378          2HG       GLN 378   3.946   2.483  12.086
  809   1HE2  GLN 378          1HE2      GLN 378   3.477   3.418  14.072
  810   2HE2  GLN 378          2HE2      GLN 378   3.002   2.482  15.442
  811    H    PHE 379           H        PHE 379  -0.069   1.286   9.093
  812    HA   PHE 379           HA       PHE 379  -2.040   3.377   9.373
  813   1HB   PHE 379          1HB       PHE 379  -1.363   1.605   7.017
  814   2HB   PHE 379          2HB       PHE 379  -2.447   2.990   6.966
  815    HD1  PHE 379           HD1      PHE 379   1.010   1.881   7.057
  816    HD2  PHE 379           HD2      PHE 379  -1.568   5.264   7.175
  817    HE1  PHE 379           HE1      PHE 379   2.923   3.350   6.567
  818    HE2  PHE 379           HE2      PHE 379   0.340   6.740   6.685
  819    HZ   PHE 379           HZ       PHE 379   2.589   5.782   6.379
  820    H    LEU 380           H        LEU 380  -1.982  -0.117   9.142
  821    HA   LEU 380           HA       LEU 380  -4.823  -0.375   8.790
  822   1HB   LEU 380          1HB       LEU 380  -2.775  -2.446   9.588
  823   2HB   LEU 380          2HB       LEU 380  -4.424  -2.776   9.095
  824    HG   LEU 380           HG       LEU 380  -2.293  -1.563   7.336
  825   1HD1  LEU 380          1HD1      LEU 380  -3.478  -4.334   7.375
  826   2HD1  LEU 380          2HD1      LEU 380  -1.829  -3.895   7.823
  827   3HD1  LEU 380          3HD1      LEU 380  -2.369  -3.709   6.154
  828   1HD2  LEU 380          1HD2      LEU 380  -4.523  -0.790   6.743
  829   2HD2  LEU 380          2HD2      LEU 380  -5.106  -2.454   6.708
  830   3HD2  LEU 380          3HD2      LEU 380  -3.911  -1.914   5.530
  831    HA   PRO 381           HA       PRO 381  -5.843  -0.225  13.108
  832   1HB   PRO 381          1HB       PRO 381  -8.362  -1.114  13.030
  833   2HB   PRO 381          2HB       PRO 381  -7.911   0.424  12.280
  834   1HG   PRO 381          1HG       PRO 381  -8.378  -2.239  11.005
  835   2HG   PRO 381          2HG       PRO 381  -8.867  -0.631  10.447
  836   1HD   PRO 381          1HD       PRO 381  -6.652  -2.009   9.534
  837   2HD   PRO 381          2HD       PRO 381  -6.856  -0.249   9.439
  838    H    ASP 382           H        ASP 382  -6.368  -1.555  14.935
  839    HA   ASP 382           HA       ASP 382  -6.166  -3.404  16.238
  840   1HB   ASP 382          1HB       ASP 382  -8.177  -4.054  14.868
  841   2HB   ASP 382          2HB       ASP 382  -7.091  -4.945  13.807
  842    H    ALA 383           H        ALA 383  -3.996  -2.585  14.234
  843    HA   ALA 383           HA       ALA 383  -2.578  -4.885  13.445
  844   1HB   ALA 383          1HB       ALA 383  -2.156  -2.650  12.523
  845   2HB   ALA 383          2HB       ALA 383  -0.680  -3.403  13.127
  846   3HB   ALA 383          3HB       ALA 383  -1.479  -2.145  14.071
  Start of MODEL    8
    1   1H    ARG   6          1H        ARG   6  -9.540   3.916  -0.208
    2   2H    ARG   6          2H        ARG   6  -9.857   5.565  -0.410
    3   3H    ARG   6          3H        ARG   6 -11.124   4.496  -0.075
    4    HA   ARG   6           HA       ARG   6 -10.585   5.720   1.894
    5   1HB   ARG   6          1HB       ARG   6  -9.609   2.861   2.019
    6   2HB   ARG   6          2HB       ARG   6 -10.098   3.831   3.401
    7   1HG   ARG   6          1HG       ARG   6 -12.365   3.984   2.478
    8   2HG   ARG   6          2HG       ARG   6 -11.866   2.975   1.119
    9   1HD   ARG   6          1HD       ARG   6 -11.311   1.166   2.681
   10   2HD   ARG   6          2HD       ARG   6 -11.841   2.174   4.027
   11    HE   ARG   6           HE       ARG   6 -13.993   2.085   2.351
   12   1HH1  ARG   6          1HH1      ARG   6 -12.011  -0.298   3.942
   13   2HH1  ARG   6          2HH1      ARG   6 -13.289  -1.458   4.079
   14   1HH2  ARG   6          1HH2      ARG   6 -15.683   0.563   2.529
   15   2HH2  ARG   6          2HH2      ARG   6 -15.376  -0.968   3.279
   16    H    MET   7           H        MET   7  -8.963   5.759   3.765
   17    HA   MET   7           HA       MET   7  -6.527   6.865   2.786
   18   1HB   MET   7          1HB       MET   7  -7.927   7.380   4.962
   19   2HB   MET   7          2HB       MET   7  -6.906   6.133   5.664
   20   1HG   MET   7          1HG       MET   7  -4.917   7.417   4.997
   21   2HG   MET   7          2HG       MET   7  -5.969   8.678   4.361
   22   1HE   MET   7          1HE       MET   7  -6.479   6.515   7.624
   23   2HE   MET   7          2HE       MET   7  -5.707   7.544   8.829
   24   3HE   MET   7          3HE       MET   7  -4.737   6.785   7.567
   25    H    ASN   8           H        ASN   8  -4.550   6.093   4.477
   26    HA   ASN   8           HA       ASN   8  -2.953   4.538   4.904
   27   1HB   ASN   8          1HB       ASN   8  -5.120   2.485   4.414
   28   2HB   ASN   8          2HB       ASN   8  -3.570   2.200   5.199
   29   1HD2  ASN   8          1HD2      ASN   8  -3.639   4.757   6.613
   30   2HD2  ASN   8          2HD2      ASN   8  -4.782   4.559   7.892
   31    H    ILE   9           H        ILE   9  -4.860   2.684   2.544
   32    HA   ILE   9           HA       ILE   9  -2.600   1.958   1.016
   33    HB   ILE   9           HB       ILE   9  -5.484   1.941   0.126
   34   1HG1  ILE   9          1HG1      ILE   9  -5.253   0.739   2.234
   35   2HG1  ILE   9          2HG1      ILE   9  -5.507  -0.401   0.918
   36   1HG2  ILE   9          1HG2      ILE   9  -3.921   1.644  -1.705
   37   2HG2  ILE   9          2HG2      ILE   9  -4.756   0.129  -1.363
   38   3HG2  ILE   9          3HG2      ILE   9  -3.094   0.363  -0.821
   39   1HD1  ILE   9          1HD1      ILE   9  -3.065  -0.818   0.883
   40   2HD1  ILE   9          2HD1      ILE   9  -3.848  -1.274   2.395
   41   3HD1  ILE   9          3HD1      ILE   9  -2.911   0.217   2.303
   42    H    GLN  10           H        GLN  10  -5.185   4.331   0.393
   43    HA   GLN  10           HA       GLN  10  -4.350   5.181  -2.117
   44   1HB   GLN  10          1HB       GLN  10  -6.504   5.788  -1.020
   45   2HB   GLN  10          2HB       GLN  10  -5.623   6.902   0.017
   46   1HG   GLN  10          1HG       GLN  10  -4.894   8.142  -1.983
   47   2HG   GLN  10          2HG       GLN  10  -5.859   7.054  -2.981
   48   1HE2  GLN  10          1HE2      GLN  10  -7.986   6.883  -0.971
   49   2HE2  GLN  10          2HE2      GLN  10  -8.846   8.378  -1.066
   50    H    MET  11           H        MET  11  -2.986   5.815   0.993
   51    HA   MET  11           HA       MET  11  -1.573   8.189   0.329
   52   1HB   MET  11          1HB       MET  11  -0.951   6.126   2.450
   53   2HB   MET  11          2HB       MET  11  -0.285   7.751   2.368
   54   1HG   MET  11          1HG       MET  11  -3.171   7.019   2.804
   55   2HG   MET  11          2HG       MET  11  -2.048   7.643   4.012
   56   1HE   MET  11          1HE       MET  11  -0.470   9.836   2.259
   57   2HE   MET  11          2HE       MET  11  -1.006  10.096   3.918
   58   3HE   MET  11          3HE       MET  11  -1.397  11.277   2.669
   59    H    LEU  12           H        LEU  12  -0.561   4.781   0.544
   60    HA   LEU  12           HA       LEU  12   2.084   5.212  -0.338
   61   1HB   LEU  12          1HB       LEU  12   0.435   2.697  -0.594
   62   2HB   LEU  12          2HB       LEU  12   2.182   2.806  -0.668
   63    HG   LEU  12           HG       LEU  12   0.498   3.401   1.767
   64   1HD1  LEU  12          1HD1      LEU  12   0.521   1.029   1.198
   65   2HD1  LEU  12          2HD1      LEU  12   1.454   1.341   2.661
   66   3HD1  LEU  12          3HD1      LEU  12   2.283   1.055   1.131
   67   1HD2  LEU  12          1HD2      LEU  12   2.654   3.471   2.944
   68   2HD2  LEU  12          2HD2      LEU  12   2.525   4.740   1.724
   69   3HD2  LEU  12          3HD2      LEU  12   3.491   3.300   1.401
   70    H    LEU  13           H        LEU  13  -0.914   4.505  -2.044
   71    HA   LEU  13           HA       LEU  13   0.211   3.964  -4.568
   72   1HB   LEU  13          1HB       LEU  13  -2.508   5.015  -3.794
   73   2HB   LEU  13          2HB       LEU  13  -2.073   4.566  -5.432
   74    HG   LEU  13           HG       LEU  13  -2.136   2.705  -3.053
   75   1HD1  LEU  13          1HD1      LEU  13  -4.040   1.685  -4.189
   76   2HD1  LEU  13          2HD1      LEU  13  -3.956   2.918  -5.447
   77   3HD1  LEU  13          3HD1      LEU  13  -4.360   3.374  -3.792
   78   1HD2  LEU  13          1HD2      LEU  13  -1.767   0.934  -4.717
   79   2HD2  LEU  13          2HD2      LEU  13  -0.407   2.054  -4.628
   80   3HD2  LEU  13          3HD2      LEU  13  -1.554   2.163  -5.964
   81    H    GLU  14           H        GLU  14  -1.349   6.953  -3.389
   82    HA   GLU  14           HA       GLU  14  -0.787   8.544  -5.597
   83   1HB   GLU  14          1HB       GLU  14  -2.335   9.211  -3.820
   84   2HB   GLU  14          2HB       GLU  14  -0.994   9.372  -2.696
   85   1HG   GLU  14          1HG       GLU  14  -0.076  11.190  -4.021
   86   2HG   GLU  14          2HG       GLU  14  -1.381  11.010  -5.192
   87    H    ALA  15           H        ALA  15   1.168   7.871  -2.732
   88    HA   ALA  15           HA       ALA  15   3.223   9.722  -3.240
   89   1HB   ALA  15          1HB       ALA  15   2.918   8.622  -1.077
   90   2HB   ALA  15          2HB       ALA  15   4.558   8.399  -1.689
   91   3HB   ALA  15          3HB       ALA  15   3.391   7.081  -1.794
   92    H    ALA  16           H        ALA  16   2.859   6.317  -4.164
   93    HA   ALA  16           HA       ALA  16   5.369   5.991  -5.372
   94   1HB   ALA  16          1HB       ALA  16   2.788   4.589  -6.060
   95   2HB   ALA  16          2HB       ALA  16   3.894   4.123  -4.768
   96   3HB   ALA  16          3HB       ALA  16   4.416   4.034  -6.450
   97    H    ASP  17           H        ASP  17   2.222   6.833  -6.815
   98    HA   ASP  17           HA       ASP  17   3.186   7.094  -9.453
   99   1HB   ASP  17          1HB       ASP  17   0.751   8.275  -8.106
  100   2HB   ASP  17          2HB       ASP  17   1.068   8.395  -9.833
  101    H    TYR  18           H        TYR  18   3.178   9.242  -6.722
  102    HA   TYR  18           HA       TYR  18   3.565  11.673  -8.118
  103   1HB   TYR  18          1HB       TYR  18   2.846  11.702  -5.811
  104   2HB   TYR  18          2HB       TYR  18   4.300  10.855  -5.301
  105    HD1  TYR  18           HD1      TYR  18   6.424  12.027  -5.114
  106    HD2  TYR  18           HD2      TYR  18   2.904  14.069  -6.360
  107    HE1  TYR  18           HE1      TYR  18   7.541  14.183  -4.719
  108    HE2  TYR  18           HE2      TYR  18   4.013  16.229  -5.972
  109    HH   TYR  18           HH       TYR  18   7.363  16.510  -5.449
  110    H    LEU  19           H        LEU  19   5.909   9.652  -6.349
  111    HA   LEU  19           HA       LEU  19   8.203  11.031  -7.147
  112   1HB   LEU  19          1HB       LEU  19   8.031   8.083  -6.547
  113   2HB   LEU  19          2HB       LEU  19   9.442   9.112  -6.401
  114    HG   LEU  19           HG       LEU  19   6.952   9.390  -4.724
  115   1HD1  LEU  19          1HD1      LEU  19   8.176   7.274  -4.325
  116   2HD1  LEU  19          2HD1      LEU  19   8.197   8.363  -2.940
  117   3HD1  LEU  19          3HD1      LEU  19   9.623   8.216  -3.966
  118   1HD2  LEU  19          1HD2      LEU  19   8.258  11.460  -5.052
  119   2HD2  LEU  19          2HD2      LEU  19   9.682  10.636  -4.417
  120   3HD2  LEU  19          3HD2      LEU  19   8.279  10.898  -3.381
  121    H    GLU  20           H        GLU  20   6.807   8.046  -8.502
  122    HA   GLU  20           HA       GLU  20   8.665   7.685 -10.553
  123   1HB   GLU  20          1HB       GLU  20   5.743   6.917 -10.470
  124   2HB   GLU  20          2HB       GLU  20   6.909   6.308 -11.638
  125   1HG   GLU  20          1HG       GLU  20   8.213   5.334  -9.793
  126   2HG   GLU  20          2HG       GLU  20   6.987   5.897  -8.657
  127    H    ARG  21           H        ARG  21   5.642   9.528 -10.513
  128    HA   ARG  21           HA       ARG  21   6.311  10.567 -13.183
  129   1HB   ARG  21          1HB       ARG  21   3.646  10.598 -11.752
  130   2HB   ARG  21          2HB       ARG  21   3.948  11.191 -13.379
  131   1HG   ARG  21          1HG       ARG  21   4.311   8.331 -12.512
  132   2HG   ARG  21          2HG       ARG  21   2.875   8.967 -13.317
  133   1HD   ARG  21          1HD       ARG  21   4.243   9.611 -15.240
  134   2HD   ARG  21          2HD       ARG  21   5.678   8.979 -14.434
  135    HE   ARG  21           HE       ARG  21   3.767   6.937 -14.570
  136   1HH1  ARG  21          1HH1      ARG  21   5.798   8.816 -16.687
  137   2HH1  ARG  21          2HH1      ARG  21   5.920   7.571 -17.886
  138   1HH2  ARG  21          1HH2      ARG  21   3.924   5.290 -16.145
  139   2HH2  ARG  21          2HH2      ARG  21   4.861   5.567 -17.576
  140   1H    SER 295          1H        SER 295  -6.055  18.788  -1.298
  141   2H    SER 295          2H        SER 295  -6.364  17.599  -2.461
  142   3H    SER 295          3H        SER 295  -4.950  18.523  -2.551
  143    HA   SER 295           HA       SER 295  -4.460  16.328  -1.721
  144   1HB   SER 295          1HB       SER 295  -4.257  18.483   0.399
  145   2HB   SER 295          2HB       SER 295  -3.308  16.997   0.361
  146    HG   SER 295           HG       SER 295  -3.309  18.992  -1.659
  147    H    LEU 296           H        LEU 296  -4.438  15.099   0.468
  148    HA   LEU 296           HA       LEU 296  -7.241  14.810   1.305
  149   1HB   LEU 296          1HB       LEU 296  -6.205  12.841   0.250
  150   2HB   LEU 296          2HB       LEU 296  -4.964  12.835   1.489
  151    HG   LEU 296           HG       LEU 296  -6.761  12.452   3.194
  152   1HD1  LEU 296          1HD1      LEU 296  -8.476  12.026   0.752
  153   2HD1  LEU 296          2HD1      LEU 296  -8.646  13.329   1.928
  154   3HD1  LEU 296          3HD1      LEU 296  -8.934  11.659   2.415
  155   1HD2  LEU 296          1HD2      LEU 296  -7.059  10.086   2.647
  156   2HD2  LEU 296          2HD2      LEU 296  -5.402  10.617   2.356
  157   3HD2  LEU 296          3HD2      LEU 296  -6.509  10.398   1.001
  158    H    GLN 297           H        GLN 297  -4.049  15.533   2.417
  159    HA   GLN 297           HA       GLN 297  -4.309  14.947   5.142
  160   1HB   GLN 297          1HB       GLN 297  -2.486  16.589   5.472
  161   2HB   GLN 297          2HB       GLN 297  -2.151  15.452   4.173
  162   1HG   GLN 297          1HG       GLN 297  -1.452  17.503   3.337
  163   2HG   GLN 297          2HG       GLN 297  -3.034  17.256   2.600
  164   1HE2  GLN 297          1HE2      GLN 297  -3.341  19.443   2.247
  165   2HE2  GLN 297          2HE2      GLN 297  -3.680  20.550   3.529
  166    H    ASN 298           H        ASN 298  -4.536  16.484   6.934
  167    HA   ASN 298           HA       ASN 298  -6.543  18.548   6.307
  168   1HB   ASN 298          1HB       ASN 298  -6.205  16.943   8.850
  169   2HB   ASN 298          2HB       ASN 298  -7.417  18.193   8.587
  170   1HD2  ASN 298          1HD2      ASN 298  -9.164  17.778   7.262
  171   2HD2  ASN 298          2HD2      ASN 298  -9.581  16.183   6.748
  172    H    ASN 299           H        ASN 299  -4.301  17.796   8.981
  173    HA   ASN 299           HA       ASN 299  -3.320  20.563   8.834
  174   1HB   ASN 299          1HB       ASN 299  -4.095  19.084  11.357
  175   2HB   ASN 299          2HB       ASN 299  -3.277  20.642  11.317
  176   1HD2  ASN 299          1HD2      ASN 299  -6.253  18.947  10.760
  177   2HD2  ASN 299          2HD2      ASN 299  -7.265  20.343  10.647
  178    H    GLN 300           H        GLN 300  -2.740  17.210   9.412
  179    HA   GLN 300           HA       GLN 300   0.131  17.779   9.733
  180   1HB   GLN 300          1HB       GLN 300  -1.432  15.475  10.908
  181   2HB   GLN 300          2HB       GLN 300   0.307  15.691  11.031
  182   1HG   GLN 300          1HG       GLN 300   0.041  17.657  12.341
  183   2HG   GLN 300          2HG       GLN 300  -1.705  17.645  12.101
  184   1HE2  GLN 300          1HE2      GLN 300   0.983  16.175  13.738
  185   2HE2  GLN 300          2HE2      GLN 300   0.057  15.296  14.903
  186    HA   PRO 301           HA       PRO 301  -0.222  15.340   5.871
  187   1HB   PRO 301          1HB       PRO 301   1.746  16.575   4.529
  188   2HB   PRO 301          2HB       PRO 301   0.141  17.296   4.694
  189   1HG   PRO 301          1HG       PRO 301   2.645  17.880   6.228
  190   2HG   PRO 301          2HG       PRO 301   1.452  19.011   5.563
  191   1HD   PRO 301          1HD       PRO 301   1.510  18.239   8.187
  192   2HD   PRO 301          2HD       PRO 301   0.033  18.752   7.346
  193    H    VAL 302           H        VAL 302   1.576  15.027   8.429
  194    HA   VAL 302           HA       VAL 302   4.105  14.130   7.649
  195    HB   VAL 302           HB       VAL 302   2.443  13.099   9.954
  196   1HG1  VAL 302          1HG1      VAL 302   5.422  13.052   9.471
  197   2HG1  VAL 302          2HG1      VAL 302   4.337  11.661   9.484
  198   3HG1  VAL 302          3HG1      VAL 302   4.626  12.569  10.969
  199   1HG2  VAL 302          1HG2      VAL 302   3.604  14.783  11.298
  200   2HG2  VAL 302          2HG2      VAL 302   2.652  15.529  10.013
  201   3HG2  VAL 302          3HG2      VAL 302   4.403  15.391   9.848
  202    H    GLU 303           H        GLU 303   0.987  12.535   7.602
  203    HA   GLU 303           HA       GLU 303   1.848   9.883   7.298
  204   1HB   GLU 303          1HB       GLU 303  -0.641  11.207   6.205
  205   2HB   GLU 303          2HB       GLU 303  -0.384   9.472   6.326
  206   1HG   GLU 303          1HG       GLU 303  -0.238   9.664   8.758
  207   2HG   GLU 303          2HG       GLU 303  -0.503  11.401   8.632
  208    H    PHE 304           H        PHE 304   1.356  12.468   4.960
  209    HA   PHE 304           HA       PHE 304   1.687  10.909   2.627
  210   1HB   PHE 304          1HB       PHE 304   0.684  13.174   2.652
  211   2HB   PHE 304          2HB       PHE 304   2.262  13.854   3.032
  212    HD1  PHE 304           HD1      PHE 304   3.623  14.576   1.317
  213    HD2  PHE 304           HD2      PHE 304   0.554  11.750   0.480
  214    HE1  PHE 304           HE1      PHE 304   4.121  14.753  -1.085
  215    HE2  PHE 304           HE2      PHE 304   1.046  11.921  -1.926
  216    HZ   PHE 304           HZ       PHE 304   2.832  13.424  -2.711
  217    H    ASN 305           H        ASN 305   3.952  12.799   4.586
  218    HA   ASN 305           HA       ASN 305   6.225  12.431   2.978
  219   1HB   ASN 305          1HB       ASN 305   6.168  14.121   4.725
  220   2HB   ASN 305          2HB       ASN 305   6.002  12.878   5.962
  221   1HD2  ASN 305          1HD2      ASN 305   7.777  11.661   6.551
  222   2HD2  ASN 305          2HD2      ASN 305   9.389  12.097   6.109
  223    H    HIS 306           H        HIS 306   4.927  10.548   5.677
  224    HA   HIS 306           HA       HIS 306   7.044   8.689   5.833
  225   1HB   HIS 306          1HB       HIS 306   5.287   9.066   7.591
  226   2HB   HIS 306          2HB       HIS 306   4.148   8.204   6.563
  227    HD1  HIS 306           HD1      HIS 306   6.681   7.686   9.129
  228    HD2  HIS 306           HD2      HIS 306   4.895   5.409   6.148
  229    HE1  HIS 306           HE1      HIS 306   7.181   5.293   9.721
  230    HE2  HIS 306           HE2      HIS 306   6.087   3.932   7.904
  231    H    ALA 307           H        ALA 307   4.081   8.798   3.936
  232    HA   ALA 307           HA       ALA 307   4.150   6.172   2.934
  233   1HB   ALA 307          1HB       ALA 307   3.018   8.648   1.632
  234   2HB   ALA 307          2HB       ALA 307   2.174   7.608   2.779
  235   3HB   ALA 307          3HB       ALA 307   2.641   6.982   1.197
  236    H    ILE 308           H        ILE 308   5.490   9.206   1.661
  237    HA   ILE 308           HA       ILE 308   6.519   8.122  -0.728
  238    HB   ILE 308           HB       ILE 308   7.295  10.571   0.848
  239   1HG1  ILE 308          1HG1      ILE 308   5.764  10.143  -1.728
  240   2HG1  ILE 308          2HG1      ILE 308   5.093  10.648  -0.181
  241   1HG2  ILE 308          1HG2      ILE 308   8.325   9.721  -1.857
  242   2HG2  ILE 308          2HG2      ILE 308   9.265   9.813  -0.369
  243   3HG2  ILE 308          3HG2      ILE 308   8.614  11.283  -1.093
  244   1HD1  ILE 308          1HD1      ILE 308   6.976  12.217  -1.924
  245   2HD1  ILE 308          2HD1      ILE 308   6.416  12.724  -0.330
  246   3HD1  ILE 308          3HD1      ILE 308   5.263  12.536  -1.651
  247    H    ASN 309           H        ASN 309   8.009   8.639   2.454
  248    HA   ASN 309           HA       ASN 309  10.595   7.780   1.748
  249   1HB   ASN 309          1HB       ASN 309   9.212   7.717   4.438
  250   2HB   ASN 309          2HB       ASN 309  10.941   7.494   4.186
  251   1HD2  ASN 309          1HD2      ASN 309   9.571   9.518   5.734
  252   2HD2  ASN 309          2HD2      ASN 309  10.040  11.043   5.073
  253    H    TYR 310           H        TYR 310   7.746   6.037   2.847
  254    HA   TYR 310           HA       TYR 310   9.020   3.558   3.333
  255   1HB   TYR 310          1HB       TYR 310   6.794   4.129   4.224
  256   2HB   TYR 310          2HB       TYR 310   6.138   4.114   2.591
  257    HD1  TYR 310           HD1      TYR 310   4.948   2.232   2.019
  258    HD2  TYR 310           HD2      TYR 310   8.177   1.844   4.762
  259    HE1  TYR 310           HE1      TYR 310   4.472  -0.172   2.230
  260    HE2  TYR 310           HE2      TYR 310   7.711  -0.560   4.979
  261    HH   TYR 310           HH       TYR 310   5.678  -2.238   2.864
  262    H    VAL 311           H        VAL 311   7.102   4.695   0.549
  263    HA   VAL 311           HA       VAL 311   7.472   2.424  -1.052
  264    HB   VAL 311           HB       VAL 311   7.035   5.282  -1.936
  265   1HG1  VAL 311          1HG1      VAL 311   6.625   2.688  -3.418
  266   2HG1  VAL 311          2HG1      VAL 311   7.842   3.915  -3.768
  267   3HG1  VAL 311          3HG1      VAL 311   6.131   4.281  -3.993
  268   1HG2  VAL 311          1HG2      VAL 311   5.029   3.076  -1.479
  269   2HG2  VAL 311          2HG2      VAL 311   4.681   4.723  -2.006
  270   3HG2  VAL 311          3HG2      VAL 311   5.316   4.430  -0.387
  271    H    ASN 312           H        ASN 312   9.364   5.393  -0.743
  272    HA   ASN 312           HA       ASN 312  11.172   4.851  -2.851
  273   1HB   ASN 312          1HB       ASN 312  10.866   7.104  -1.903
  274   2HB   ASN 312          2HB       ASN 312  11.566   6.559  -0.383
  275   1HD2  ASN 312          1HD2      ASN 312  12.189   7.396  -3.692
  276   2HD2  ASN 312          2HD2      ASN 312  13.907   7.496  -3.557
  277    H    LYS 313           H        LYS 313  11.058   3.938   0.525
  278    HA   LYS 313           HA       LYS 313  13.737   3.048   0.753
  279   1HB   LYS 313          1HB       LYS 313  12.270   3.536   2.692
  280   2HB   LYS 313          2HB       LYS 313  11.309   2.117   2.296
  281   1HG   LYS 313          1HG       LYS 313  13.227   0.680   2.695
  282   2HG   LYS 313          2HG       LYS 313  14.226   2.092   3.046
  283   1HD   LYS 313          1HD       LYS 313  12.730   2.640   4.933
  284   2HD   LYS 313          2HD       LYS 313  11.808   1.172   4.601
  285   1HE   LYS 313          1HE       LYS 313  13.394   0.811   6.415
  286   2HE   LYS 313          2HE       LYS 313  13.806  -0.175   5.013
  287   1HZ   LYS 313          1HZ       LYS 313  15.757   0.875   5.999
  288   2HZ   LYS 313          2HZ       LYS 313  15.090   2.405   5.727
  289   3HZ   LYS 313          3HZ       LYS 313  15.505   1.420   4.417
  290    H    ILE 314           H        ILE 314  10.695   1.326   0.084
  291    HA   ILE 314           HA       ILE 314  11.867  -1.230  -0.199
  292    HB   ILE 314           HB       ILE 314   9.308  -0.189  -1.425
  293   1HG1  ILE 314          1HG1      ILE 314   9.745  -1.733   1.140
  294   2HG1  ILE 314          2HG1      ILE 314   9.425  -0.004   1.054
  295   1HG2  ILE 314          1HG2      ILE 314  10.080  -2.214  -2.527
  296   2HG2  ILE 314          2HG2      ILE 314   8.655  -2.553  -1.544
  297   3HG2  ILE 314          3HG2      ILE 314  10.255  -3.016  -0.966
  298   1HD1  ILE 314          1HD1      ILE 314   7.558  -2.146   0.063
  299   2HD1  ILE 314          2HD1      ILE 314   7.237  -0.412   0.141
  300   3HD1  ILE 314          3HD1      ILE 314   7.440  -1.339   1.626
  301    H    LYS 315           H        LYS 315  11.239   1.382  -2.472
  302    HA   LYS 315           HA       LYS 315  11.837  -0.070  -4.830
  303   1HB   LYS 315          1HB       LYS 315  10.559   2.054  -4.791
  304   2HB   LYS 315          2HB       LYS 315  12.030   2.907  -4.344
  305   1HG   LYS 315          1HG       LYS 315  13.057   2.328  -6.449
  306   2HG   LYS 315          2HG       LYS 315  11.656   1.351  -6.895
  307   1HD   LYS 315          1HD       LYS 315  10.252   3.369  -6.831
  308   2HD   LYS 315          2HD       LYS 315  11.673   4.333  -6.427
  309   1HE   LYS 315          1HE       LYS 315  11.126   4.470  -8.813
  310   2HE   LYS 315          2HE       LYS 315  12.707   3.738  -8.542
  311   1HZ   LYS 315          1HZ       LYS 315  11.732   1.563  -8.878
  312   2HZ   LYS 315          2HZ       LYS 315  11.427   2.546 -10.220
  313   3HZ   LYS 315          3HZ       LYS 315  10.199   2.246  -9.096
  314    H    ASN 316           H        ASN 316  13.788   1.788  -2.574
  315    HA   ASN 316           HA       ASN 316  16.154   1.646  -4.217
  316   1HB   ASN 316          1HB       ASN 316  15.839   3.582  -2.783
  317   2HB   ASN 316          2HB       ASN 316  15.759   2.548  -1.359
  318   1HD2  ASN 316          1HD2      ASN 316  17.822   3.912  -3.800
  319   2HD2  ASN 316          2HD2      ASN 316  19.320   3.572  -3.009
  320    H    ARG 317           H        ARG 317  14.703  -0.225  -1.684
  321    HA   ARG 317           HA       ARG 317  17.101  -1.642  -0.975
  322   1HB   ARG 317          1HB       ARG 317  15.287  -1.334   0.646
  323   2HB   ARG 317          2HB       ARG 317  14.203  -2.264  -0.377
  324   1HG   ARG 317          1HG       ARG 317  14.965  -3.650   1.421
  325   2HG   ARG 317          2HG       ARG 317  15.676  -4.229  -0.086
  326   1HD   ARG 317          1HD       ARG 317  17.757  -3.057   0.449
  327   2HD   ARG 317          2HD       ARG 317  17.043  -2.476   1.952
  328    HE   ARG 317           HE       ARG 317  16.936  -5.311   1.785
  329   1HH1  ARG 317          1HH1      ARG 317  19.083  -2.647   2.438
  330   2HH1  ARG 317          2HH1      ARG 317  20.139  -3.577   3.449
  331   1HH2  ARG 317          1HH2      ARG 317  18.321  -6.547   3.110
  332   2HH2  ARG 317          2HH2      ARG 317  19.705  -5.795   3.830
  333    H    PHE 318           H        PHE 318  14.323  -2.228  -3.065
  334    HA   PHE 318           HA       PHE 318  15.534  -4.768  -3.916
  335   1HB   PHE 318          1HB       PHE 318  12.712  -3.727  -4.220
  336   2HB   PHE 318          2HB       PHE 318  13.290  -5.234  -4.923
  337    HD1  PHE 318           HD1      PHE 318  12.154  -3.572  -1.918
  338    HD2  PHE 318           HD2      PHE 318  13.969  -7.102  -3.455
  339    HE1  PHE 318           HE1      PHE 318  11.637  -4.747   0.181
  340    HE2  PHE 318           HE2      PHE 318  13.453  -8.283  -1.359
  341    HZ   PHE 318           HZ       PHE 318  12.285  -7.106   0.462
  342    H    GLN 319           H        GLN 319  16.581  -2.256  -4.795
  343    HA   GLN 319           HA       GLN 319  15.681  -1.408  -7.288
  344   1HB   GLN 319          1HB       GLN 319  17.361  -0.191  -5.989
  345   2HB   GLN 319          2HB       GLN 319  18.514  -1.495  -6.233
  346   1HG   GLN 319          1HG       GLN 319  19.105   0.206  -7.746
  347   2HG   GLN 319          2HG       GLN 319  18.328  -1.054  -8.701
  348   1HE2  GLN 319          1HE2      GLN 319  18.683   1.788  -9.267
  349   2HE2  GLN 319          2HE2      GLN 319  17.098   2.426  -9.525
  350    H    GLY 320           H        GLY 320  17.573  -4.196  -6.385
  351   1HA   GLY 320          1HA       GLY 320  18.494  -4.828  -9.015
  352   2HA   GLY 320          2HA       GLY 320  18.507  -5.900  -7.623
  353    H    GLN 321           H        GLN 321  15.873  -6.130  -6.988
  354    HA   GLN 321           HA       GLN 321  14.833  -7.562  -9.321
  355   1HB   GLN 321          1HB       GLN 321  14.095  -7.765  -6.397
  356   2HB   GLN 321          2HB       GLN 321  13.407  -8.740  -7.685
  357   1HG   GLN 321          1HG       GLN 321  15.646  -9.654  -8.154
  358   2HG   GLN 321          2HG       GLN 321  16.280  -8.721  -6.800
  359   1HE2  GLN 321          1HE2      GLN 321  16.946 -10.553  -5.700
  360   2HE2  GLN 321          2HE2      GLN 321  15.833 -11.631  -4.936
  361    HA   PRO 322           HA       PRO 322  11.977  -3.987  -9.388
  362   1HB   PRO 322          1HB       PRO 322  11.183  -4.342 -11.956
  363   2HB   PRO 322          2HB       PRO 322  12.687  -3.520 -11.528
  364   1HG   PRO 322          1HG       PRO 322  12.262  -6.353 -12.404
  365   2HG   PRO 322          2HG       PRO 322  13.508  -5.199 -12.918
  366   1HD   PRO 322          1HD       PRO 322  13.993  -7.128 -11.091
  367   2HD   PRO 322          2HD       PRO 322  14.782  -5.540 -11.024
  368    H    ASP 323           H        ASP 323  11.530  -7.358 -10.006
  369    HA   ASP 323           HA       ASP 323   8.752  -7.402 -10.457
  370   1HB   ASP 323          1HB       ASP 323  10.208  -9.328 -10.919
  371   2HB   ASP 323          2HB       ASP 323  10.510  -9.518  -9.194
  372    H    ILE 324           H        ILE 324  10.675  -7.350  -7.518
  373    HA   ILE 324           HA       ILE 324   8.636  -7.981  -5.683
  374    HB   ILE 324           HB       ILE 324  10.950  -6.129  -5.126
  375   1HG1  ILE 324          1HG1      ILE 324  11.770  -8.159  -6.264
  376   2HG1  ILE 324          2HG1      ILE 324  12.288  -8.096  -4.584
  377   1HG2  ILE 324          1HG2      ILE 324  10.791  -7.092  -2.863
  378   2HG2  ILE 324          2HG2      ILE 324   9.381  -8.019  -3.378
  379   3HG2  ILE 324          3HG2      ILE 324   9.316  -6.256  -3.350
  380   1HD1  ILE 324          1HD1      ILE 324   9.984  -9.727  -5.626
  381   2HD1  ILE 324          2HD1      ILE 324  10.597  -9.710  -3.972
  382   3HD1  ILE 324          3HD1      ILE 324  11.600 -10.340  -5.279
  383    H    TYR 325           H        TYR 325   9.921  -4.827  -6.707
  384    HA   TYR 325           HA       TYR 325   8.182  -3.214  -5.235
  385   1HB   TYR 325          1HB       TYR 325  10.250  -2.444  -6.390
  386   2HB   TYR 325          2HB       TYR 325   9.416  -2.604  -7.930
  387    HD1  TYR 325           HD1      TYR 325   8.663  -1.033  -4.614
  388    HD2  TYR 325           HD2      TYR 325   8.767  -0.603  -8.845
  389    HE1  TYR 325           HE1      TYR 325   7.837   1.273  -4.395
  390    HE2  TYR 325           HE2      TYR 325   7.940   1.702  -8.638
  391    HH   TYR 325           HH       TYR 325   7.847   3.363  -5.677
  392    H    LYS 326           H        LYS 326   7.917  -4.377  -8.582
  393    HA   LYS 326           HA       LYS 326   5.438  -3.158  -9.138
  394   1HB   LYS 326          1HB       LYS 326   6.690  -5.623 -10.363
  395   2HB   LYS 326          2HB       LYS 326   5.318  -4.747 -11.031
  396   1HG   LYS 326          1HG       LYS 326   8.061  -3.582 -10.611
  397   2HG   LYS 326          2HG       LYS 326   7.449  -4.211 -12.142
  398   1HD   LYS 326          1HD       LYS 326   5.665  -2.542 -12.120
  399   2HD   LYS 326          2HD       LYS 326   6.251  -1.926 -10.574
  400   1HE   LYS 326          1HE       LYS 326   8.384  -1.334 -11.630
  401   2HE   LYS 326          2HE       LYS 326   7.777  -1.927 -13.176
  402   1HZ   LYS 326          1HZ       LYS 326   6.037  -0.245 -13.090
  403   2HZ   LYS 326          2HZ       LYS 326   7.570   0.467 -13.022
  404   3HZ   LYS 326          3HZ       LYS 326   6.639   0.331 -11.617
  405    H    ALA 327           H        ALA 327   6.308  -6.112  -7.516
  406    HA   ALA 327           HA       ALA 327   3.807  -7.424  -7.680
  407   1HB   ALA 327          1HB       ALA 327   6.096  -7.671  -5.741
  408   2HB   ALA 327          2HB       ALA 327   5.685  -8.738  -7.086
  409   3HB   ALA 327          3HB       ALA 327   4.653  -8.682  -5.657
  410    H    PHE 328           H        PHE 328   5.266  -5.406  -5.141
  411    HA   PHE 328           HA       PHE 328   3.099  -5.461  -3.364
  412   1HB   PHE 328          1HB       PHE 328   5.328  -4.687  -2.713
  413   2HB   PHE 328          2HB       PHE 328   5.178  -3.302  -3.787
  414    HD1  PHE 328           HD1      PHE 328   4.924  -1.346  -2.641
  415    HD2  PHE 328           HD2      PHE 328   2.998  -4.844  -1.167
  416    HE1  PHE 328           HE1      PHE 328   3.951  -0.032  -0.804
  417    HE2  PHE 328           HE2      PHE 328   2.023  -3.536   0.673
  418    HZ   PHE 328           HZ       PHE 328   2.498  -1.127   0.856
  419    H    LEU 329           H        LEU 329   3.962  -3.063  -5.855
  420    HA   LEU 329           HA       LEU 329   1.782  -1.351  -5.459
  421   1HB   LEU 329          1HB       LEU 329   3.313  -1.939  -7.994
  422   2HB   LEU 329          2HB       LEU 329   2.204  -0.597  -7.789
  423    HG   LEU 329           HG       LEU 329   4.779  -1.003  -6.263
  424   1HD1  LEU 329          1HD1      LEU 329   5.488   1.017  -7.516
  425   2HD1  LEU 329          2HD1      LEU 329   4.020   0.886  -8.484
  426   3HD1  LEU 329          3HD1      LEU 329   5.230  -0.396  -8.540
  427   1HD2  LEU 329          1HD2      LEU 329   2.801   1.277  -6.206
  428   2HD2  LEU 329          2HD2      LEU 329   4.365   1.248  -5.391
  429   3HD2  LEU 329          3HD2      LEU 329   3.097   0.123  -4.903
  430    H    GLU 330           H        GLU 330   2.139  -4.201  -7.518
  431    HA   GLU 330           HA       GLU 330  -0.292  -4.007  -8.896
  432   1HB   GLU 330          1HB       GLU 330   1.502  -5.520  -9.582
  433   2HB   GLU 330          2HB       GLU 330   1.274  -6.475  -8.123
  434   1HG   GLU 330          1HG       GLU 330  -0.969  -7.082  -8.865
  435   2HG   GLU 330          2HG       GLU 330  -0.750  -6.116 -10.323
  436    H    ILE 331           H        ILE 331   0.510  -5.652  -5.852
  437    HA   ILE 331           HA       ILE 331  -1.988  -6.842  -5.414
  438    HB   ILE 331           HB       ILE 331   0.066  -5.912  -3.405
  439   1HG1  ILE 331          1HG1      ILE 331  -0.518  -8.685  -4.465
  440   2HG1  ILE 331          2HG1      ILE 331   0.769  -7.650  -5.073
  441   1HG2  ILE 331          1HG2      ILE 331  -2.332  -7.702  -3.026
  442   2HG2  ILE 331          2HG2      ILE 331  -2.079  -6.112  -2.309
  443   3HG2  ILE 331          3HG2      ILE 331  -1.050  -7.463  -1.839
  444   1HD1  ILE 331          1HD1      ILE 331   1.595  -9.318  -3.497
  445   2HD1  ILE 331          2HD1      ILE 331   0.531  -8.665  -2.250
  446   3HD1  ILE 331          3HD1      ILE 331   1.841  -7.677  -2.897
  447    H    LEU 332           H        LEU 332  -0.712  -3.715  -4.257
  448    HA   LEU 332           HA       LEU 332  -3.008  -2.969  -2.827
  449   1HB   LEU 332          1HB       LEU 332  -1.049  -1.134  -4.206
  450   2HB   LEU 332          2HB       LEU 332  -2.153  -0.692  -2.920
  451    HG   LEU 332           HG       LEU 332   0.404  -2.221  -2.776
  452   1HD1  LEU 332          1HD1      LEU 332   0.703  -0.798  -0.796
  453   2HD1  LEU 332          2HD1      LEU 332  -0.888  -0.095  -1.079
  454   3HD1  LEU 332          3HD1      LEU 332   0.403   0.139  -2.259
  455   1HD2  LEU 332          1HD2      LEU 332  -1.149  -3.783  -1.775
  456   2HD2  LEU 332          2HD2      LEU 332  -1.851  -2.499  -0.792
  457   3HD2  LEU 332          3HD2      LEU 332  -0.187  -3.011  -0.514
  458    H    HIS 333           H        HIS 333  -2.133  -2.505  -6.222
  459    HA   HIS 333           HA       HIS 333  -4.225  -0.792  -6.944
  460   1HB   HIS 333          1HB       HIS 333  -2.768  -2.894  -8.557
  461   2HB   HIS 333          2HB       HIS 333  -3.919  -1.760  -9.255
  462    HD1  HIS 333           HD1      HIS 333  -0.768  -1.975  -9.852
  463    HD2  HIS 333           HD2      HIS 333  -2.687   0.879  -7.518
  464    HE1  HIS 333           HE1      HIS 333   0.760   0.022  -9.842
  465    HE2  HIS 333           HE2      HIS 333  -0.440   1.752  -8.457
  466    H    THR 334           H        THR 334  -4.045  -4.341  -6.996
  467    HA   THR 334           HA       THR 334  -6.634  -4.824  -7.946
  468    HB   THR 334           HB       THR 334  -4.966  -6.526  -6.078
  469    HG1  THR 334           HG1      THR 334  -5.326  -6.787  -8.889
  470   1HG2  THR 334          1HG2      THR 334  -7.286  -7.219  -5.989
  471   2HG2  THR 334          2HG2      THR 334  -6.356  -8.396  -6.916
  472   3HG2  THR 334          3HG2      THR 334  -7.381  -7.229  -7.750
  473    H    TYR 335           H        TYR 335  -5.395  -4.188  -4.725
  474    HA   TYR 335           HA       TYR 335  -7.711  -4.827  -3.259
  475   1HB   TYR 335          1HB       TYR 335  -5.523  -4.499  -2.192
  476   2HB   TYR 335          2HB       TYR 335  -5.546  -2.799  -2.646
  477    HD1  TYR 335           HD1      TYR 335  -6.952  -5.328  -0.396
  478    HD2  TYR 335           HD2      TYR 335  -6.919  -1.206  -1.444
  479    HE1  TYR 335           HE1      TYR 335  -8.084  -4.787   1.718
  480    HE2  TYR 335           HE2      TYR 335  -8.050  -0.653   0.668
  481    HH   TYR 335           HH       TYR 335  -9.487  -1.767   2.333
  482    H    GLN 336           H        GLN 336  -6.665  -1.895  -4.904
  483    HA   GLN 336           HA       GLN 336  -8.749  -0.228  -3.929
  484   1HB   GLN 336          1HB       GLN 336  -6.656   0.673  -4.847
  485   2HB   GLN 336          2HB       GLN 336  -7.071   0.036  -6.432
  486   1HG   GLN 336          1HG       GLN 336  -9.069   1.495  -6.447
  487   2HG   GLN 336          2HG       GLN 336  -8.532   2.185  -4.916
  488   1HE2  GLN 336          1HE2      GLN 336  -8.339   4.243  -5.797
  489   2HE2  GLN 336          2HE2      GLN 336  -7.060   4.667  -6.880
  490    H    LYS 337           H        LYS 337  -8.380  -2.262  -6.795
  491    HA   LYS 337           HA       LYS 337 -10.707  -1.412  -8.141
  492   1HB   LYS 337          1HB       LYS 337  -9.347  -4.106  -8.257
  493   2HB   LYS 337          2HB       LYS 337 -10.509  -3.486  -9.421
  494   1HG   LYS 337          1HG       LYS 337  -8.950  -1.662  -9.970
  495   2HG   LYS 337          2HG       LYS 337  -7.774  -2.364  -8.858
  496   1HD   LYS 337          1HD       LYS 337  -7.790  -4.438 -10.190
  497   2HD   LYS 337          2HD       LYS 337  -8.917  -3.684 -11.320
  498   1HE   LYS 337          1HE       LYS 337  -6.654  -3.568 -12.185
  499   2HE   LYS 337          2HE       LYS 337  -7.249  -1.952 -11.809
  500   1HZ   LYS 337          1HZ       LYS 337  -6.018  -2.042  -9.717
  501   2HZ   LYS 337          2HZ       LYS 337  -4.988  -2.226 -11.046
  502   3HZ   LYS 337          3HZ       LYS 337  -5.422  -3.574 -10.120
  503    H    GLU 338           H        GLU 338 -10.154  -4.245  -6.055
  504    HA   GLU 338           HA       GLU 338 -12.803  -5.178  -6.109
  505   1HB   GLU 338          1HB       GLU 338 -10.569  -5.578  -4.124
  506   2HB   GLU 338          2HB       GLU 338 -12.127  -6.380  -3.975
  507   1HG   GLU 338          1HG       GLU 338 -11.796  -7.459  -6.127
  508   2HG   GLU 338          2HG       GLU 338 -10.253  -6.627  -6.319
  509    H    GLN 339           H        GLN 339 -11.150  -2.925  -3.952
  510    HA   GLN 339           HA       GLN 339 -13.224  -2.686  -2.050
  511   1HB   GLN 339          1HB       GLN 339 -10.919  -1.960  -1.612
  512   2HB   GLN 339          2HB       GLN 339 -11.087  -0.688  -2.816
  513   1HG   GLN 339          1HG       GLN 339 -12.852   0.340  -1.463
  514   2HG   GLN 339          2HG       GLN 339 -12.642  -0.921  -0.249
  515   1HE2  GLN 339          1HE2      GLN 339 -11.245   1.900  -1.731
  516   2HE2  GLN 339          2HE2      GLN 339 -10.040   2.184  -0.524
  517    H    ARG 340           H        ARG 340 -12.489  -0.923  -5.019
  518    HA   ARG 340           HA       ARG 340 -14.451   1.083  -4.733
  519   1HB   ARG 340          1HB       ARG 340 -12.573   1.254  -6.309
  520   2HB   ARG 340          2HB       ARG 340 -13.246  -0.065  -7.256
  521   1HG   ARG 340          1HG       ARG 340 -15.222   1.293  -7.742
  522   2HG   ARG 340          2HG       ARG 340 -14.532   2.621  -6.807
  523   1HD   ARG 340          1HD       ARG 340 -14.152   2.952  -9.189
  524   2HD   ARG 340          2HD       ARG 340 -12.627   2.708  -8.338
  525    HE   ARG 340           HE       ARG 340 -13.381   0.219  -9.223
  526   1HH1  ARG 340          1HH1      ARG 340 -12.699   3.308 -10.687
  527   2HH1  ARG 340          2HH1      ARG 340 -12.126   2.622 -12.170
  528   1HH2  ARG 340          1HH2      ARG 340 -12.626  -0.691 -11.169
  529   2HH2  ARG 340          2HH2      ARG 340 -12.083   0.348 -12.445
  530    H    ASN 341           H        ASN 341 -14.483  -1.964  -6.577
  531    HA   ASN 341           HA       ASN 341 -17.117  -1.742  -7.516
  532   1HB   ASN 341          1HB       ASN 341 -15.464  -4.217  -6.973
  533   2HB   ASN 341          2HB       ASN 341 -16.977  -4.201  -7.875
  534   1HD2  ASN 341          1HD2      ASN 341 -16.008  -4.963  -9.736
  535   2HD2  ASN 341          2HD2      ASN 341 -14.970  -3.986 -10.709
  536    H    ALA 342           H        ALA 342 -15.805  -2.960  -4.501
  537    HA   ALA 342           HA       ALA 342 -18.140  -4.246  -3.565
  538   1HB   ALA 342          1HB       ALA 342 -15.885  -3.023  -1.978
  539   2HB   ALA 342          2HB       ALA 342 -15.933  -4.669  -2.608
  540   3HB   ALA 342          3HB       ALA 342 -17.081  -4.166  -1.367
  541    H    LYS 343           H        LYS 343 -16.869  -0.968  -3.071
  542    HA   LYS 343           HA       LYS 343 -19.072  -0.150  -1.433
  543   1HB   LYS 343          1HB       LYS 343 -16.980   1.489  -2.876
  544   2HB   LYS 343          2HB       LYS 343 -18.111   2.115  -1.683
  545   1HG   LYS 343          1HG       LYS 343 -17.119   0.763   0.041
  546   2HG   LYS 343          2HG       LYS 343 -16.064  -0.023  -1.135
  547   1HD   LYS 343          1HD       LYS 343 -14.805   1.657   0.042
  548   2HD   LYS 343          2HD       LYS 343 -15.045   2.185  -1.623
  549   1HE   LYS 343          1HE       LYS 343 -15.390   4.013  -0.024
  550   2HE   LYS 343          2HE       LYS 343 -16.858   3.643  -0.927
  551   1HZ   LYS 343          1HZ       LYS 343 -16.249   2.739   1.837
  552   2HZ   LYS 343          2HZ       LYS 343 -17.657   2.377   0.973
  553   3HZ   LYS 343          3HZ       LYS 343 -17.325   3.975   1.416
  554    H    GLU 344           H        GLU 344 -18.485  -0.357  -4.811
  555    HA   GLU 344           HA       GLU 344 -20.480   1.595  -5.557
  556   1HB   GLU 344          1HB       GLU 344 -18.507   1.224  -6.973
  557   2HB   GLU 344          2HB       GLU 344 -19.001  -0.443  -7.233
  558   1HG   GLU 344          1HG       GLU 344 -21.030   0.338  -8.353
  559   2HG   GLU 344          2HG       GLU 344 -20.518   2.007  -8.103
  560    H    ALA 345           H        ALA 345 -20.302  -1.824  -4.998
  561    HA   ALA 345           HA       ALA 345 -22.605  -2.628  -6.413
  562   1HB   ALA 345          1HB       ALA 345 -20.902  -4.202  -5.634
  563   2HB   ALA 345          2HB       ALA 345 -22.507  -4.652  -5.058
  564   3HB   ALA 345          3HB       ALA 345 -21.363  -3.876  -3.963
  565    H    GLY 346           H        GLY 346 -22.134  -1.260  -3.219
  566   1HA   GLY 346          1HA       GLY 346 -23.769  -0.095  -2.004
  567   2HA   GLY 346          2HA       GLY 346 -25.007  -0.816  -3.022
  568    H    GLY 347           H        GLY 347 -23.856  -3.533  -2.607
  569   1HA   GLY 347          1HA       GLY 347 -23.794  -4.219   0.106
  570   2HA   GLY 347          2HA       GLY 347 -25.465  -4.307  -0.427
  571    H    ASN 348           H        ASN 348 -23.816  -6.469   0.507
  572    HA   ASN 348           HA       ASN 348 -23.344  -8.637   0.030
  573   1HB   ASN 348          1HB       ASN 348 -25.118  -8.106  -2.362
  574   2HB   ASN 348          2HB       ASN 348 -24.602  -9.701  -1.820
  575   1HD2  ASN 348          1HD2      ASN 348 -26.614  -6.953  -1.148
  576   2HD2  ASN 348          2HD2      ASN 348 -27.590  -7.706   0.061
  577    H    TYR 349           H        TYR 349 -21.211  -8.760  -0.353
  578    HA   TYR 349           HA       TYR 349 -20.342  -8.961  -3.103
  579   1HB   TYR 349          1HB       TYR 349 -20.105  -6.539  -2.589
  580   2HB   TYR 349          2HB       TYR 349 -19.031  -6.951  -1.257
  581    HD1  TYR 349           HD1      TYR 349 -19.390  -6.979  -4.936
  582    HD2  TYR 349           HD2      TYR 349 -16.738  -7.464  -1.645
  583    HE1  TYR 349           HE1      TYR 349 -17.475  -6.924  -6.478
  584    HE2  TYR 349           HE2      TYR 349 -14.814  -7.410  -3.178
  585    HH   TYR 349           HH       TYR 349 -15.066  -6.413  -6.406
  586    H    THR 350           H        THR 350 -18.383 -10.078  -3.346
  587    HA   THR 350           HA       THR 350 -17.443 -11.422  -0.897
  588    HB   THR 350           HB       THR 350 -18.421 -13.101  -2.226
  589    HG1  THR 350           HG1      THR 350 -16.123 -13.428  -1.556
  590   1HG2  THR 350          1HG2      THR 350 -16.978 -11.890  -4.582
  591   2HG2  THR 350          2HG2      THR 350 -18.716 -11.878  -4.288
  592   3HG2  THR 350          3HG2      THR 350 -17.891 -13.398  -4.629
  593    HA   PRO 351           HA       PRO 351 -13.817  -9.076  -2.482
  594   1HB   PRO 351          1HB       PRO 351 -12.946  -8.179  -0.099
  595   2HB   PRO 351          2HB       PRO 351 -14.245  -7.379  -0.989
  596   1HG   PRO 351          1HG       PRO 351 -14.407  -9.235   1.344
  597   2HG   PRO 351          2HG       PRO 351 -15.358  -7.780   1.001
  598   1HD   PRO 351          1HD       PRO 351 -16.231 -10.353   0.552
  599   2HD   PRO 351          2HD       PRO 351 -16.850  -8.925  -0.299
  600    H    ALA 352           H        ALA 352 -12.104 -10.256  -2.961
  601    HA   ALA 352           HA       ALA 352 -11.244 -12.386  -1.164
  602   1HB   ALA 352          1HB       ALA 352 -11.559 -12.932  -3.526
  603   2HB   ALA 352          2HB       ALA 352  -9.876 -13.146  -3.042
  604   3HB   ALA 352          3HB       ALA 352 -10.352 -11.724  -3.969
  605    H    LEU 353           H        LEU 353 -10.596  -9.184  -1.571
  606    HA   LEU 353           HA       LEU 353  -7.889  -9.505  -0.470
  607   1HB   LEU 353          1HB       LEU 353  -8.583  -8.294  -2.945
  608   2HB   LEU 353          2HB       LEU 353  -8.055  -7.024  -1.858
  609    HG   LEU 353           HG       LEU 353  -5.974  -8.373  -1.432
  610   1HD1  LEU 353          1HD1      LEU 353  -6.820 -10.545  -2.133
  611   2HD1  LEU 353          2HD1      LEU 353  -5.391 -10.093  -3.062
  612   3HD1  LEU 353          3HD1      LEU 353  -6.993  -9.954  -3.786
  613   1HD2  LEU 353          1HD2      LEU 353  -5.946  -6.461  -2.917
  614   2HD2  LEU 353          2HD2      LEU 353  -6.522  -7.458  -4.252
  615   3HD2  LEU 353          3HD2      LEU 353  -4.923  -7.740  -3.567
  616    H    THR 354           H        THR 354  -8.123  -8.937   1.586
  617    HA   THR 354           HA       THR 354  -9.513  -6.407   2.190
  618    HB   THR 354           HB       THR 354  -9.985  -7.298   4.433
  619    HG1  THR 354           HG1      THR 354  -8.149  -8.865   4.276
  620   1HG2  THR 354          1HG2      THR 354 -10.931  -9.085   2.188
  621   2HG2  THR 354          2HG2      THR 354 -11.687  -7.584   2.722
  622   3HG2  THR 354          3HG2      THR 354 -11.668  -8.989   3.788
  623    H    GLU 355           H        GLU 355  -8.669  -5.414   4.304
  624    HA   GLU 355           HA       GLU 355  -6.045  -4.639   4.051
  625   1HB   GLU 355          1HB       GLU 355  -7.645  -4.854   6.611
  626   2HB   GLU 355          2HB       GLU 355  -6.169  -3.919   6.419
  627   1HG   GLU 355          1HG       GLU 355  -7.240  -2.460   4.836
  628   2HG   GLU 355          2HG       GLU 355  -8.698  -3.451   4.858
  629    H    GLN 356           H        GLN 356  -7.321  -7.231   6.121
  630    HA   GLN 356           HA       GLN 356  -4.881  -8.030   7.244
  631   1HB   GLN 356          1HB       GLN 356  -7.318  -9.721   6.645
  632   2HB   GLN 356          2HB       GLN 356  -6.020 -10.151   7.750
  633   1HG   GLN 356          1HG       GLN 356  -6.589  -8.266   9.177
  634   2HG   GLN 356          2HG       GLN 356  -7.864  -7.791   8.058
  635   1HE2  GLN 356          1HE2      GLN 356  -6.864 -10.093  10.459
  636   2HE2  GLN 356          2HE2      GLN 356  -8.413 -10.817  10.706
  637    H    GLU 357           H        GLU 357  -6.490  -8.922   4.243
  638    HA   GLU 357           HA       GLU 357  -4.777 -11.034   3.506
  639   1HB   GLU 357          1HB       GLU 357  -6.954 -10.666   2.438
  640   2HB   GLU 357          2HB       GLU 357  -6.371  -9.158   1.747
  641   1HG   GLU 357          1HG       GLU 357  -6.374 -10.936   0.098
  642   2HG   GLU 357          2HG       GLU 357  -4.734 -10.376   0.425
  643    H    VAL 358           H        VAL 358  -4.678  -7.550   2.823
  644    HA   VAL 358           HA       VAL 358  -2.483  -7.547   1.091
  645    HB   VAL 358           HB       VAL 358  -2.870  -5.351   3.104
  646   1HG1  VAL 358          1HG1      VAL 358  -2.097  -5.361   0.192
  647   2HG1  VAL 358          2HG1      VAL 358  -1.000  -5.171   1.562
  648   3HG1  VAL 358          3HG1      VAL 358  -2.215  -3.936   1.225
  649   1HG2  VAL 358          1HG2      VAL 358  -5.100  -5.687   2.450
  650   2HG2  VAL 358          2HG2      VAL 358  -4.650  -5.999   0.774
  651   3HG2  VAL 358          3HG2      VAL 358  -4.510  -4.369   1.437
  652    H    TYR 359           H        TYR 359  -2.587  -7.057   4.612
  653    HA   TYR 359           HA       TYR 359   0.140  -6.826   5.069
  654   1HB   TYR 359          1HB       TYR 359  -1.696  -6.422   6.733
  655   2HB   TYR 359          2HB       TYR 359  -1.844  -8.166   6.917
  656    HD1  TYR 359           HD1      TYR 359  -0.199  -9.429   8.151
  657    HD2  TYR 359           HD2      TYR 359   0.282  -5.242   7.566
  658    HE1  TYR 359           HE1      TYR 359   1.558  -9.395   9.873
  659    HE2  TYR 359           HE2      TYR 359   2.040  -5.198   9.284
  660    HH   TYR 359           HH       TYR 359   3.475  -8.021  10.521
  661    H    ALA 360           H        ALA 360  -1.859  -9.718   4.747
  662    HA   ALA 360           HA       ALA 360   0.059 -11.604   5.563
  663   1HB   ALA 360          1HB       ALA 360  -1.339 -13.258   4.475
  664   2HB   ALA 360          2HB       ALA 360  -2.191 -11.991   3.595
  665   3HB   ALA 360          3HB       ALA 360  -2.337 -12.097   5.349
  666    H    GLN 361           H        GLN 361  -0.968 -10.922   2.203
  667    HA   GLN 361           HA       GLN 361   1.070 -12.341   0.951
  668   1HB   GLN 361          1HB       GLN 361  -0.388  -9.883  -0.038
  669   2HB   GLN 361          2HB       GLN 361   0.573 -10.959  -1.045
  670   1HG   GLN 361          1HG       GLN 361  -0.950 -12.802  -0.511
  671   2HG   GLN 361          2HG       GLN 361  -1.921 -11.704   0.468
  672   1HE2  GLN 361          1HE2      GLN 361  -0.995 -12.627  -2.747
  673   2HE2  GLN 361          2HE2      GLN 361  -2.214 -11.730  -3.578
  674    H    VAL 362           H        VAL 362   0.921  -8.852   1.632
  675    HA   VAL 362           HA       VAL 362   3.405  -8.132   0.630
  676    HB   VAL 362           HB       VAL 362   1.875  -6.960   2.958
  677   1HG1  VAL 362          1HG1      VAL 362   4.195  -6.308   3.164
  678   2HG1  VAL 362          2HG1      VAL 362   3.240  -4.935   2.604
  679   3HG1  VAL 362          3HG1      VAL 362   4.242  -5.834   1.465
  680   1HG2  VAL 362          1HG2      VAL 362   0.714  -6.906   0.797
  681   2HG2  VAL 362          2HG2      VAL 362   2.101  -6.086   0.079
  682   3HG2  VAL 362          3HG2      VAL 362   1.160  -5.287   1.338
  683    H    ALA 363           H        ALA 363   2.556  -9.599   3.710
  684    HA   ALA 363           HA       ALA 363   5.069  -9.226   4.972
  685   1HB   ALA 363          1HB       ALA 363   4.318 -10.976   6.534
  686   2HB   ALA 363          2HB       ALA 363   2.941 -11.304   5.481
  687   3HB   ALA 363          3HB       ALA 363   3.091  -9.737   6.275
  688    H    ARG 364           H        ARG 364   3.680 -11.858   3.059
  689    HA   ARG 364           HA       ARG 364   5.823 -13.662   3.333
  690   1HB   ARG 364          1HB       ARG 364   3.351 -13.726   2.136
  691   2HB   ARG 364          2HB       ARG 364   4.427 -13.726   0.747
  692   1HG   ARG 364          1HG       ARG 364   4.529 -15.681   3.035
  693   2HG   ARG 364          2HG       ARG 364   3.824 -15.988   1.447
  694   1HD   ARG 364          1HD       ARG 364   6.010 -15.628   0.410
  695   2HD   ARG 364          2HD       ARG 364   6.714 -15.316   1.996
  696    HE   ARG 364           HE       ARG 364   5.415 -17.894   1.570
  697   1HH1  ARG 364          1HH1      ARG 364   8.353 -16.043   1.875
  698   2HH1  ARG 364          2HH1      ARG 364   9.348 -17.430   2.169
  699   1HH2  ARG 364          1HH2      ARG 364   6.717 -19.725   1.960
  700   2HH2  ARG 364          2HH2      ARG 364   8.419 -19.522   2.220
  701    H    LEU 365           H        LEU 365   5.258 -10.947   1.201
  702    HA   LEU 365           HA       LEU 365   7.350 -11.488  -0.637
  703   1HB   LEU 365          1HB       LEU 365   6.041  -8.865   0.087
  704   2HB   LEU 365          2HB       LEU 365   7.080  -9.125  -1.300
  705    HG   LEU 365           HG       LEU 365   4.427 -10.496  -0.856
  706   1HD1  LEU 365          1HD1      LEU 365   4.112  -8.127  -1.249
  707   2HD1  LEU 365          2HD1      LEU 365   3.632  -9.047  -2.676
  708   3HD1  LEU 365          3HD1      LEU 365   5.176  -8.195  -2.654
  709   1HD2  LEU 365          1HD2      LEU 365   4.675 -11.201  -3.187
  710   2HD2  LEU 365          2HD2      LEU 365   5.980 -11.830  -2.179
  711   3HD2  LEU 365          3HD2      LEU 365   6.272 -10.453  -3.242
  712    H    PHE 366           H        PHE 366   7.217  -9.878   2.465
  713    HA   PHE 366           HA       PHE 366  10.037  -9.108   2.201
  714   1HB   PHE 366          1HB       PHE 366   7.963  -8.205   4.213
  715   2HB   PHE 366          2HB       PHE 366   9.636  -7.664   4.169
  716    HD1  PHE 366           HD1      PHE 366  10.097  -7.194   1.329
  717    HD2  PHE 366           HD2      PHE 366   6.670  -6.363   3.716
  718    HE1  PHE 366           HE1      PHE 366   9.472  -5.376  -0.206
  719    HE2  PHE 366           HE2      PHE 366   6.040  -4.546   2.181
  720    HZ   PHE 366           HZ       PHE 366   7.442  -4.049   0.218
  721    H    LYS 367           H        LYS 367  11.238 -10.815   2.767
  722    HA   LYS 367           HA       LYS 367  10.490 -12.506   5.001
  723   1HB   LYS 367          1HB       LYS 367  11.388 -13.554   2.993
  724   2HB   LYS 367          2HB       LYS 367  12.860 -12.601   3.127
  725   1HG   LYS 367          1HG       LYS 367  13.302 -13.724   5.311
  726   2HG   LYS 367          2HG       LYS 367  11.918 -14.768   4.991
  727   1HD   LYS 367          1HD       LYS 367  14.316 -14.501   3.180
  728   2HD   LYS 367          2HD       LYS 367  14.101 -15.784   4.371
  729   1HE   LYS 367          1HE       LYS 367  12.252 -15.215   2.055
  730   2HE   LYS 367          2HE       LYS 367  13.465 -16.493   2.102
  731   1HZ   LYS 367          1HZ       LYS 367  11.131 -16.253   3.923
  732   2HZ   LYS 367          2HZ       LYS 367  12.297 -17.476   3.979
  733   3HZ   LYS 367          3HZ       LYS 367  11.275 -17.345   2.638
  734    H    ASN 368           H        ASN 368  11.198 -12.289   7.007
  735    HA   ASN 368           HA       ASN 368  12.340 -11.592   8.838
  736   1HB   ASN 368          1HB       ASN 368  14.178 -12.817   7.630
  737   2HB   ASN 368          2HB       ASN 368  14.706 -11.266   6.987
  738   1HD2  ASN 368          1HD2      ASN 368  14.320 -13.185   9.878
  739   2HD2  ASN 368          2HD2      ASN 368  15.426 -12.288  10.855
  740    H    GLN 369           H        GLN 369  11.172  -9.601   6.795
  741    HA   GLN 369           HA       GLN 369  12.643  -7.222   7.704
  742   1HB   GLN 369          1HB       GLN 369  10.708  -7.526   5.405
  743   2HB   GLN 369          2HB       GLN 369  11.507  -6.029   5.860
  744   1HG   GLN 369          1HG       GLN 369  12.863  -8.540   4.907
  745   2HG   GLN 369          2HG       GLN 369  12.597  -7.077   3.960
  746   1HE2  GLN 369          1HE2      GLN 369  13.813  -5.238   4.400
  747   2HE2  GLN 369          2HE2      GLN 369  15.266  -5.299   5.334
  748    H    GLU 370           H        GLU 370  11.667  -7.217   9.770
  749    HA   GLU 370           HA       GLU 370   8.816  -7.053  10.064
  750   1HB   GLU 370          1HB       GLU 370  10.244  -8.002  11.825
  751   2HB   GLU 370          2HB       GLU 370  11.028  -6.443  12.034
  752   1HG   GLU 370          1HG       GLU 370   9.390  -6.840  13.775
  753   2HG   GLU 370          2HG       GLU 370   8.923  -5.469  12.769
  754    H    ASP 371           H        ASP 371  11.394  -4.817   9.538
  755    HA   ASP 371           HA       ASP 371  10.277  -2.478  10.604
  756   1HB   ASP 371          1HB       ASP 371  12.615  -2.616   9.903
  757   2HB   ASP 371          2HB       ASP 371  12.117  -2.809   8.225
  758    H    LEU 372           H        LEU 372  10.375  -3.423   7.167
  759    HA   LEU 372           HA       LEU 372   8.672  -1.487   6.184
  760   1HB   LEU 372          1HB       LEU 372   9.332  -4.265   5.279
  761   2HB   LEU 372          2HB       LEU 372   8.137  -3.320   4.414
  762    HG   LEU 372           HG       LEU 372   9.790  -1.614   3.903
  763   1HD1  LEU 372          1HD1      LEU 372  12.158  -1.949   4.471
  764   2HD1  LEU 372          2HD1      LEU 372  11.712  -3.341   5.457
  765   3HD1  LEU 372          3HD1      LEU 372  11.152  -1.729   5.902
  766   1HD2  LEU 372          1HD2      LEU 372  11.247  -2.931   2.437
  767   2HD2  LEU 372          2HD2      LEU 372   9.574  -3.485   2.369
  768   3HD2  LEU 372          3HD2      LEU 372  10.768  -4.399   3.290
  769    H    LEU 373           H        LEU 373   7.794  -4.791   7.194
  770    HA   LEU 373           HA       LEU 373   5.077  -4.672   6.692
  771   1HB   LEU 373          1HB       LEU 373   6.824  -6.253   8.465
  772   2HB   LEU 373          2HB       LEU 373   5.125  -6.225   8.903
  773    HG   LEU 373           HG       LEU 373   6.137  -7.015   6.172
  774   1HD1  LEU 373          1HD1      LEU 373   5.731  -9.318   6.865
  775   2HD1  LEU 373          2HD1      LEU 373   5.334  -8.766   8.492
  776   3HD1  LEU 373          3HD1      LEU 373   6.970  -8.562   7.865
  777   1HD2  LEU 373          1HD2      LEU 373   3.460  -7.451   7.493
  778   2HD2  LEU 373          2HD2      LEU 373   3.911  -7.873   5.842
  779   3HD2  LEU 373          3HD2      LEU 373   3.805  -6.180   6.320
  780    H    SER 374           H        SER 374   6.778  -3.795   9.695
  781    HA   SER 374           HA       SER 374   4.563  -3.110  11.225
  782   1HB   SER 374          1HB       SER 374   7.342  -1.913  11.256
  783   2HB   SER 374          2HB       SER 374   6.132  -1.656  12.511
  784    HG   SER 374           HG       SER 374   6.225  -4.224  12.238
  785    H    GLU 375           H        GLU 375   6.488  -1.083   9.033
  786    HA   GLU 375           HA       GLU 375   5.190   1.339   9.474
  787   1HB   GLU 375          1HB       GLU 375   6.758   0.192   7.217
  788   2HB   GLU 375          2HB       GLU 375   5.842   1.663   6.919
  789   1HG   GLU 375          1HG       GLU 375   8.102   2.215   7.525
  790   2HG   GLU 375          2HG       GLU 375   6.999   2.747   8.792
  791    H    PHE 376           H        PHE 376   4.406  -1.254   7.169
  792    HA   PHE 376           HA       PHE 376   2.218   0.078   5.973
  793   1HB   PHE 376          1HB       PHE 376   3.382  -1.938   5.023
  794   2HB   PHE 376          2HB       PHE 376   2.573  -2.914   6.246
  795    HD1  PHE 376           HD1      PHE 376   0.452  -3.785   5.833
  796    HD2  PHE 376           HD2      PHE 376   1.898  -0.570   3.445
  797    HE1  PHE 376           HE1      PHE 376  -1.507  -4.006   4.352
  798    HE2  PHE 376           HE2      PHE 376  -0.055  -0.788   1.966
  799    HZ   PHE 376           HZ       PHE 376  -1.758  -2.505   2.419
  800    H    GLY 377           H        GLY 377   2.565  -1.830   8.875
  801   1HA   GLY 377          1HA       GLY 377  -0.218  -2.259   9.323
  802   2HA   GLY 377          2HA       GLY 377   1.065  -2.437  10.512
  803    H    GLN 378           H        GLN 378   2.018   0.310  10.152
  804    HA   GLN 378           HA       GLN 378   0.632   1.592  12.174
  805   1HB   GLN 378          1HB       GLN 378   2.236   2.832   9.931
  806   2HB   GLN 378          2HB       GLN 378   1.748   3.670  11.397
  807   1HG   GLN 378          1HG       GLN 378   3.561   1.272  11.248
  808   2HG   GLN 378          2HG       GLN 378   4.061   2.941  11.517
  809   1HE2  GLN 378          1HE2      GLN 378   2.553   0.138  12.897
  810   2HE2  GLN 378          2HE2      GLN 378   2.565   0.685  14.536
  811    H    PHE 379           H        PHE 379   0.266   1.989   8.663
  812    HA   PHE 379           HA       PHE 379  -1.692   3.994   8.711
  813   1HB   PHE 379          1HB       PHE 379  -1.233   1.821   6.660
  814   2HB   PHE 379          2HB       PHE 379  -2.222   3.256   6.410
  815    HD1  PHE 379           HD1      PHE 379  -1.170   5.482   6.318
  816    HD2  PHE 379           HD2      PHE 379   1.136   1.912   6.530
  817    HE1  PHE 379           HE1      PHE 379   0.817   6.727   5.572
  818    HE2  PHE 379           HE2      PHE 379   3.128   3.149   5.784
  819    HZ   PHE 379           HZ       PHE 379   2.970   5.559   5.304
  820    H    LEU 380           H        LEU 380  -2.181   0.500   8.147
  821    HA   LEU 380           HA       LEU 380  -4.967   0.550   8.287
  822   1HB   LEU 380          1HB       LEU 380  -3.140  -1.724   9.059
  823   2HB   LEU 380          2HB       LEU 380  -4.837  -1.860   8.643
  824    HG   LEU 380           HG       LEU 380  -2.641  -0.990   6.764
  825   1HD1  LEU 380          1HD1      LEU 380  -4.188  -3.571   6.940
  826   2HD1  LEU 380          2HD1      LEU 380  -2.481  -3.349   7.317
  827   3HD1  LEU 380          3HD1      LEU 380  -3.052  -3.139   5.662
  828   1HD2  LEU 380          1HD2      LEU 380  -4.371  -1.182   5.031
  829   2HD2  LEU 380          2HD2      LEU 380  -4.759   0.065   6.216
  830   3HD2  LEU 380          3HD2      LEU 380  -5.575  -1.496   6.281
  831    HA   PRO 381           HA       PRO 381  -5.580   1.433  12.633
  832   1HB   PRO 381          1HB       PRO 381  -8.279   0.321  12.149
  833   2HB   PRO 381          2HB       PRO 381  -7.810   1.912  12.756
  834   1HG   PRO 381          1HG       PRO 381  -8.777   1.606  10.284
  835   2HG   PRO 381          2HG       PRO 381  -7.489   2.775  10.633
  836   1HD   PRO 381          1HD       PRO 381  -7.302   0.062   9.380
  837   2HD   PRO 381          2HD       PRO 381  -6.449   1.561   8.956
  838    H    ASP 382           H        ASP 382  -7.020   0.137  14.413
  839    HA   ASP 382           HA       ASP 382  -5.569  -2.182  14.993
  840   1HB   ASP 382          1HB       ASP 382  -6.666  -0.882  16.739
  841   2HB   ASP 382          2HB       ASP 382  -8.248  -1.280  16.074
  842    H    ALA 383           H        ALA 383  -8.528  -1.705  13.221
  843    HA   ALA 383           HA       ALA 383  -9.887  -3.104  12.050
  844   1HB   ALA 383          1HB       ALA 383  -7.788  -3.607  10.894
  845   2HB   ALA 383          2HB       ALA 383  -8.844  -5.018  10.965
  846   3HB   ALA 383          3HB       ALA 383  -7.461  -4.896  12.053
  Start of MODEL    9
    1   1H    ARG   6          1H        ARG   6  -9.441   8.671   3.357
    2   2H    ARG   6          2H        ARG   6  -9.069   8.958   4.982
    3   3H    ARG   6          3H        ARG   6 -10.603   8.387   4.555
    4    HA   ARG   6           HA       ARG   6  -9.284   6.618   5.485
    5   1HB   ARG   6          1HB       ARG   6 -10.924   6.059   3.762
    6   2HB   ARG   6          2HB       ARG   6  -9.741   6.379   2.503
    7   1HG   ARG   6          1HG       ARG   6  -8.398   4.507   3.247
    8   2HG   ARG   6          2HG       ARG   6  -9.515   4.210   4.581
    9   1HD   ARG   6          1HD       ARG   6  -9.917   2.675   2.721
   10   2HD   ARG   6          2HD       ARG   6 -11.301   3.733   2.994
   11    HE   ARG   6           HE       ARG   6  -9.606   4.860   1.042
   12   1HH1  ARG   6          1HH1      ARG   6 -11.862   2.244   1.490
   13   2HH1  ARG   6          2HH1      ARG   6 -12.322   2.185  -0.179
   14   1HH2  ARG   6          1HH2      ARG   6 -10.205   4.789  -1.158
   15   2HH2  ARG   6          2HH2      ARG   6 -11.381   3.631  -1.683
   16    H    MET   7           H        MET   7  -7.240   6.436   6.105
   17    HA   MET   7           HA       MET   7  -5.141   6.576   4.044
   18   1HB   MET   7          1HB       MET   7  -5.023   8.525   5.511
   19   2HB   MET   7          2HB       MET   7  -4.993   7.482   6.926
   20   1HG   MET   7          1HG       MET   7  -2.851   6.556   6.185
   21   2HG   MET   7          2HG       MET   7  -2.880   7.634   4.791
   22   1HE   MET   7          1HE       MET   7  -2.647   7.402   8.708
   23   2HE   MET   7          2HE       MET   7  -4.063   8.423   8.460
   24   3HE   MET   7          3HE       MET   7  -2.594   9.106   9.158
   25    H    ASN   8           H        ASN   8  -4.732   4.464   3.669
   26    HA   ASN   8           HA       ASN   8  -3.361   2.962   5.666
   27   1HB   ASN   8          1HB       ASN   8  -4.874   1.084   5.870
   28   2HB   ASN   8          2HB       ASN   8  -5.711   2.554   6.356
   29   1HD2  ASN   8          1HD2      ASN   8  -6.164   3.511   3.676
   30   2HD2  ASN   8          2HD2      ASN   8  -7.382   2.499   2.987
   31    H    ILE   9           H        ILE   9  -4.921   3.068   2.520
   32    HA   ILE   9           HA       ILE   9  -2.734   1.410   1.457
   33    HB   ILE   9           HB       ILE   9  -5.623   1.223   0.591
   34   1HG1  ILE   9          1HG1      ILE   9  -5.193   0.144   2.771
   35   2HG1  ILE   9          2HG1      ILE   9  -5.576  -1.032   1.518
   36   1HG2  ILE   9          1HG2      ILE   9  -3.170  -0.243  -0.368
   37   2HG2  ILE   9          2HG2      ILE   9  -4.139   0.910  -1.283
   38   3HG2  ILE   9          3HG2      ILE   9  -4.827  -0.646  -0.817
   39   1HD1  ILE   9          1HD1      ILE   9  -3.240  -1.613   1.307
   40   2HD1  ILE   9          2HD1      ILE   9  -3.760  -1.772   2.985
   41   3HD1  ILE   9          3HD1      ILE   9  -2.803  -0.377   2.486
   42    H    GLN  10           H        GLN  10  -5.443   3.521   0.496
   43    HA   GLN  10           HA       GLN  10  -4.452   4.258  -2.006
   44   1HB   GLN  10          1HB       GLN  10  -6.023   6.088  -1.936
   45   2HB   GLN  10          2HB       GLN  10  -6.767   4.671  -1.209
   46   1HG   GLN  10          1HG       GLN  10  -6.360   5.550   1.005
   47   2HG   GLN  10          2HG       GLN  10  -5.517   6.939   0.323
   48   1HE2  GLN  10          1HE2      GLN  10  -8.385   5.556  -1.103
   49   2HE2  GLN  10          2HE2      GLN  10  -9.440   6.877  -0.745
   50    H    MET  11           H        MET  11  -3.443   5.195   1.135
   51    HA   MET  11           HA       MET  11  -2.328   7.723   0.525
   52   1HB   MET  11          1HB       MET  11  -2.833   6.892   2.821
   53   2HB   MET  11          2HB       MET  11  -1.479   5.780   2.678
   54   1HG   MET  11          1HG       MET  11  -0.820   7.709   3.945
   55   2HG   MET  11          2HG       MET  11   0.037   7.689   2.405
   56   1HE   MET  11          1HE       MET  11   0.729  10.198   2.791
   57   2HE   MET  11          2HE       MET  11  -0.173  10.293   4.303
   58   3HE   MET  11          3HE       MET  11  -0.413  11.515   3.056
   59    H    LEU  12           H        LEU  12  -0.644   4.635   1.148
   60    HA   LEU  12           HA       LEU  12   1.839   5.489   0.142
   61   1HB   LEU  12          1HB       LEU  12   0.776   2.669   0.302
   62   2HB   LEU  12          2HB       LEU  12   2.460   3.129   0.148
   63    HG   LEU  12           HG       LEU  12   0.721   3.781   2.526
   64   1HD1  LEU  12          1HD1      LEU  12   1.895   2.035   3.691
   65   2HD1  LEU  12          2HD1      LEU  12   2.878   1.695   2.266
   66   3HD1  LEU  12          3HD1      LEU  12   1.148   1.357   2.242
   67   1HD2  LEU  12          1HD2      LEU  12   3.683   4.084   2.044
   68   2HD2  LEU  12          2HD2      LEU  12   2.873   4.338   3.590
   69   3HD2  LEU  12          3HD2      LEU  12   2.506   5.387   2.220
   70    H    LEU  13           H        LEU  13  -0.984   4.157  -1.411
   71    HA   LEU  13           HA       LEU  13   0.279   3.389  -3.833
   72   1HB   LEU  13          1HB       LEU  13  -1.746   2.328  -3.449
   73   2HB   LEU  13          2HB       LEU  13  -2.533   3.797  -2.907
   74    HG   LEU  13           HG       LEU  13  -2.510   4.612  -5.247
   75   1HD1  LEU  13          1HD1      LEU  13  -2.213   2.790  -6.996
   76   2HD1  LEU  13          2HD1      LEU  13  -1.376   1.876  -5.741
   77   3HD1  LEU  13          3HD1      LEU  13  -0.746   3.438  -6.264
   78   1HD2  LEU  13          1HD2      LEU  13  -4.499   3.579  -4.308
   79   2HD2  LEU  13          2HD2      LEU  13  -3.906   1.984  -4.770
   80   3HD2  LEU  13          3HD2      LEU  13  -4.332   3.159  -6.013
   81    H    GLU  14           H        GLU  14  -1.355   6.309  -2.707
   82    HA   GLU  14           HA       GLU  14  -1.314   7.660  -5.206
   83   1HB   GLU  14          1HB       GLU  14  -2.822   8.293  -3.354
   84   2HB   GLU  14          2HB       GLU  14  -1.433   8.807  -2.408
   85   1HG   GLU  14          1HG       GLU  14  -0.940  10.539  -4.042
   86   2HG   GLU  14          2HG       GLU  14  -2.303  10.008  -5.027
   87    H    ALA  15           H        ALA  15   0.866   7.565  -2.431
   88    HA   ALA  15           HA       ALA  15   2.648   9.568  -3.344
   89   1HB   ALA  15          1HB       ALA  15   2.558   8.844  -1.006
   90   2HB   ALA  15          2HB       ALA  15   4.189   8.700  -1.665
   91   3HB   ALA  15          3HB       ALA  15   3.184   7.262  -1.473
   92    H    ALA  16           H        ALA  16   2.444   6.097  -3.848
   93    HA   ALA  16           HA       ALA  16   4.988   5.784  -5.065
   94   1HB   ALA  16          1HB       ALA  16   2.518   4.077  -5.345
   95   2HB   ALA  16          2HB       ALA  16   3.754   3.908  -4.098
   96   3HB   ALA  16          3HB       ALA  16   4.160   3.608  -5.789
   97    H    ASP  17           H        ASP  17   1.727   6.303  -6.362
   98    HA   ASP  17           HA       ASP  17   2.499   6.164  -9.094
   99   1HB   ASP  17          1HB       ASP  17   0.182   5.800  -8.399
  100   2HB   ASP  17          2HB       ASP  17   0.081   7.457  -7.808
  101    H    TYR  18           H        TYR  18   2.384   8.716  -6.718
  102    HA   TYR  18           HA       TYR  18   2.656  10.885  -8.554
  103   1HB   TYR  18          1HB       TYR  18   1.731  11.344  -6.387
  104   2HB   TYR  18          2HB       TYR  18   3.134  10.656  -5.578
  105    HD1  TYR  18           HD1      TYR  18   5.258  11.903  -5.484
  106    HD2  TYR  18           HD2      TYR  18   1.773  13.588  -7.264
  107    HE1  TYR  18           HE1      TYR  18   6.288  14.133  -5.384
  108    HE2  TYR  18           HE2      TYR  18   2.799  15.820  -7.172
  109    HH   TYR  18           HH       TYR  18   4.524  17.005  -5.959
  110    H    LEU  19           H        LEU  19   4.900   8.949  -6.640
  111    HA   LEU  19           HA       LEU  19   7.182  10.500  -7.419
  112   1HB   LEU  19          1HB       LEU  19   7.225   9.569  -5.248
  113   2HB   LEU  19          2HB       LEU  19   6.767   7.981  -5.833
  114    HG   LEU  19           HG       LEU  19   8.952   7.832  -6.978
  115   1HD1  LEU  19          1HD1      LEU  19   9.423  10.422  -5.522
  116   2HD1  LEU  19          2HD1      LEU  19   9.542  10.118  -7.255
  117   3HD1  LEU  19          3HD1      LEU  19  10.727   9.414  -6.153
  118   1HD2  LEU  19          1HD2      LEU  19  10.245   7.392  -4.942
  119   2HD2  LEU  19          2HD2      LEU  19   8.596   6.781  -4.811
  120   3HD2  LEU  19          3HD2      LEU  19   9.048   8.279  -3.998
  121    H    GLU  20           H        GLU  20   5.462   7.757  -8.615
  122    HA   GLU  20           HA       GLU  20   7.503   6.420  -9.999
  123   1HB   GLU  20          1HB       GLU  20   5.273   5.459  -9.636
  124   2HB   GLU  20          2HB       GLU  20   4.574   6.662 -10.712
  125   1HG   GLU  20          1HG       GLU  20   5.836   5.751 -12.580
  126   2HG   GLU  20          2HG       GLU  20   6.581   4.566 -11.508
  127    H    ARG  21           H        ARG  21   5.613   9.259 -10.808
  128    HA   ARG  21           HA       ARG  21   6.822   9.375 -13.470
  129   1HB   ARG  21          1HB       ARG  21   4.674  11.090 -12.210
  130   2HB   ARG  21          2HB       ARG  21   5.250  11.241 -13.865
  131   1HG   ARG  21          1HG       ARG  21   4.489   8.922 -14.291
  132   2HG   ARG  21          2HG       ARG  21   3.814   8.884 -12.661
  133   1HD   ARG  21          1HD       ARG  21   2.371  10.781 -13.220
  134   2HD   ARG  21          2HD       ARG  21   3.044  10.812 -14.850
  135    HE   ARG  21           HE       ARG  21   1.905   8.277 -14.117
  136   1HH1  ARG  21          1HH1      ARG  21   1.256  11.436 -15.431
  137   2HH1  ARG  21          2HH1      ARG  21  -0.166  10.933 -16.279
  138   1HH2  ARG  21          1HH2      ARG  21   0.036   7.602 -15.229
  139   2HH2  ARG  21          2HH2      ARG  21  -0.862   8.751 -16.164
  140   1H    SER 295          1H        SER 295  -1.028  16.403  -3.244
  141   2H    SER 295          2H        SER 295  -2.573  17.087  -3.193
  142   3H    SER 295          3H        SER 295  -2.388  15.408  -3.097
  143    HA   SER 295           HA       SER 295  -1.226  15.634  -0.993
  144   1HB   SER 295          1HB       SER 295  -1.238  17.826   0.140
  145   2HB   SER 295          2HB       SER 295  -0.324  17.887  -1.366
  146    HG   SER 295           HG       SER 295  -2.072  19.571  -0.778
  147    H    LEU 296           H        LEU 296  -2.586  14.633   0.307
  148    HA   LEU 296           HA       LEU 296  -5.430  15.170   0.157
  149   1HB   LEU 296          1HB       LEU 296  -4.592  12.860   0.191
  150   2HB   LEU 296          2HB       LEU 296  -3.886  13.136   1.770
  151    HG   LEU 296           HG       LEU 296  -6.818  13.570   1.466
  152   1HD1  LEU 296          1HD1      LEU 296  -6.463  11.467   0.294
  153   2HD1  LEU 296          2HD1      LEU 296  -7.249  11.191   1.848
  154   3HD1  LEU 296          3HD1      LEU 296  -5.529  10.851   1.657
  155   1HD2  LEU 296          1HD2      LEU 296  -5.063  12.428   3.637
  156   2HD2  LEU 296          2HD2      LEU 296  -6.809  12.652   3.748
  157   3HD2  LEU 296          3HD2      LEU 296  -5.749  14.051   3.589
  158    H    GLN 297           H        GLN 297  -6.451  16.527   1.456
  159    HA   GLN 297           HA       GLN 297  -5.103  17.727   3.697
  160   1HB   GLN 297          1HB       GLN 297  -7.934  18.085   2.696
  161   2HB   GLN 297          2HB       GLN 297  -7.145  19.087   3.905
  162   1HG   GLN 297          1HG       GLN 297  -6.348  18.814   1.016
  163   2HG   GLN 297          2HG       GLN 297  -7.157  20.193   1.757
  164   1HE2  GLN 297          1HE2      GLN 297  -4.171  18.496   1.353
  165   2HE2  GLN 297          2HE2      GLN 297  -3.148  19.699   2.056
  166    H    ASN 298           H        ASN 298  -5.259  17.182   5.774
  167    HA   ASN 298           HA       ASN 298  -7.599  15.879   6.841
  168   1HB   ASN 298          1HB       ASN 298  -6.407  13.947   5.939
  169   2HB   ASN 298          2HB       ASN 298  -4.945  14.425   6.797
  170   1HD2  ASN 298          1HD2      ASN 298  -4.835  12.512   7.938
  171   2HD2  ASN 298          2HD2      ASN 298  -5.932  12.127   9.215
  172    H    ASN 299           H        ASN 299  -4.146  16.129   7.708
  173    HA   ASN 299           HA       ASN 299  -4.844  17.940   9.888
  174   1HB   ASN 299          1HB       ASN 299  -3.428  15.298  10.265
  175   2HB   ASN 299          2HB       ASN 299  -3.396  16.591  11.458
  176   1HD2  ASN 299          1HD2      ASN 299  -5.294  17.138  12.551
  177   2HD2  ASN 299          2HD2      ASN 299  -6.641  16.059  12.621
  178    H    GLN 300           H        GLN 300  -1.907  16.060   9.199
  179    HA   GLN 300           HA       GLN 300  -0.520  18.603   8.672
  180   1HB   GLN 300          1HB       GLN 300   0.594  16.125   9.991
  181   2HB   GLN 300          2HB       GLN 300   1.489  17.602   9.659
  182   1HG   GLN 300          1HG       GLN 300  -0.893  17.380  11.483
  183   2HG   GLN 300          2HG       GLN 300   0.791  17.438  11.993
  184   1HE2  GLN 300          1HE2      GLN 300   1.933  19.370  11.825
  185   2HE2  GLN 300          2HE2      GLN 300   1.139  20.889  11.610
  186    HA   PRO 301           HA       PRO 301   0.711  16.762   4.825
  187   1HB   PRO 301          1HB       PRO 301   2.748  18.363   4.132
  188   2HB   PRO 301          2HB       PRO 301   1.084  18.958   4.188
  189   1HG   PRO 301          1HG       PRO 301   3.283  19.292   6.189
  190   2HG   PRO 301          2HG       PRO 301   2.094  20.480   5.622
  191   1HD   PRO 301          1HD       PRO 301   1.875  19.089   7.980
  192   2HD   PRO 301          2HD       PRO 301   0.495  19.755   7.086
  193    H    VAL 302           H        VAL 302   2.275  16.219   7.596
  194    HA   VAL 302           HA       VAL 302   4.874  15.425   6.749
  195    HB   VAL 302           HB       VAL 302   3.352  14.515   9.194
  196   1HG1  VAL 302          1HG1      VAL 302   5.284  13.120   8.690
  197   2HG1  VAL 302          2HG1      VAL 302   5.573  14.089  10.133
  198   3HG1  VAL 302          3HG1      VAL 302   6.310  14.552   8.599
  199   1HG2  VAL 302          1HG2      VAL 302   5.216  16.861   8.841
  200   2HG2  VAL 302          2HG2      VAL 302   4.520  16.320  10.369
  201   3HG2  VAL 302          3HG2      VAL 302   3.474  16.947   9.095
  202    H    GLU 303           H        GLU 303   1.824  13.704   7.254
  203    HA   GLU 303           HA       GLU 303   2.746  11.093   6.939
  204   1HB   GLU 303          1HB       GLU 303   0.082  12.345   6.295
  205   2HB   GLU 303          2HB       GLU 303   0.380  10.618   6.151
  206   1HG   GLU 303          1HG       GLU 303  -0.658  11.005   8.247
  207   2HG   GLU 303          2HG       GLU 303   1.027  10.600   8.553
  208    H    PHE 304           H        PHE 304   2.002  13.544   4.548
  209    HA   PHE 304           HA       PHE 304   1.952  11.831   2.292
  210   1HB   PHE 304          1HB       PHE 304   1.034  14.165   2.366
  211   2HB   PHE 304          2HB       PHE 304   2.689  14.763   2.348
  212    HD1  PHE 304           HD1      PHE 304   3.634  15.310   0.325
  213    HD2  PHE 304           HD2      PHE 304   0.445  12.493   0.422
  214    HE1  PHE 304           HE1      PHE 304   3.630  15.235  -2.134
  215    HE2  PHE 304           HE2      PHE 304   0.436  12.413  -2.036
  216    HZ   PHE 304           HZ       PHE 304   2.030  13.785  -3.319
  217    H    ASN 305           H        ASN 305   4.500  13.936   3.615
  218    HA   ASN 305           HA       ASN 305   6.491  13.225   1.767
  219   1HB   ASN 305          1HB       ASN 305   6.762  14.201   4.619
  220   2HB   ASN 305          2HB       ASN 305   8.084  14.118   3.457
  221   1HD2  ASN 305          1HD2      ASN 305   8.452  16.318   3.523
  222   2HD2  ASN 305          2HD2      ASN 305   7.373  17.464   2.812
  223    H    HIS 306           H        HIS 306   5.513  11.803   4.834
  224    HA   HIS 306           HA       HIS 306   7.676   9.980   5.047
  225   1HB   HIS 306          1HB       HIS 306   6.224  10.637   6.955
  226   2HB   HIS 306          2HB       HIS 306   4.894   9.749   6.218
  227    HD1  HIS 306           HD1      HIS 306   4.913   7.198   6.431
  228    HD2  HIS 306           HD2      HIS 306   8.243   9.035   8.106
  229    HE1  HIS 306           HE1      HIS 306   6.064   5.410   7.773
  230    HE2  HIS 306           HE2      HIS 306   8.030   6.565   8.843
  231    H    ALA 307           H        ALA 307   4.550   9.900   3.477
  232    HA   ALA 307           HA       ALA 307   4.450   7.132   2.922
  233   1HB   ALA 307          1HB       ALA 307   2.745   7.706   1.286
  234   2HB   ALA 307          2HB       ALA 307   3.207   9.406   1.374
  235   3HB   ALA 307          3HB       ALA 307   2.495   8.612   2.779
  236    H    ILE 308           H        ILE 308   5.521   9.896   0.947
  237    HA   ILE 308           HA       ILE 308   6.335   8.380  -1.283
  238    HB   ILE 308           HB       ILE 308   7.383  11.064  -0.368
  239   1HG1  ILE 308          1HG1      ILE 308   5.185  10.406  -2.342
  240   2HG1  ILE 308          2HG1      ILE 308   4.918  10.971  -0.697
  241   1HG2  ILE 308          1HG2      ILE 308   8.019  11.379  -2.716
  242   2HG2  ILE 308          2HG2      ILE 308   7.499   9.732  -3.071
  243   3HG2  ILE 308          3HG2      ILE 308   8.862  10.011  -1.988
  244   1HD1  ILE 308          1HD1      ILE 308   6.044  13.067  -1.236
  245   2HD1  ILE 308          2HD1      ILE 308   4.671  12.772  -2.302
  246   3HD1  ILE 308          3HD1      ILE 308   6.313  12.498  -2.882
  247    H    ASN 309           H        ASN 309   8.012   9.357   1.659
  248    HA   ASN 309           HA       ASN 309  10.609   8.567   0.851
  249   1HB   ASN 309          1HB       ASN 309  10.054  10.072   2.797
  250   2HB   ASN 309          2HB       ASN 309   9.538   8.638   3.680
  251   1HD2  ASN 309          1HD2      ASN 309  11.679  10.528   4.253
  252   2HD2  ASN 309          2HD2      ASN 309  13.130   9.595   4.349
  253    H    TYR 310           H        TYR 310   7.963   6.886   2.463
  254    HA   TYR 310           HA       TYR 310   9.368   4.531   3.116
  255   1HB   TYR 310          1HB       TYR 310   7.235   5.034   4.155
  256   2HB   TYR 310          2HB       TYR 310   6.424   4.993   2.594
  257    HD1  TYR 310           HD1      TYR 310   8.540   2.786   4.750
  258    HD2  TYR 310           HD2      TYR 310   5.283   3.073   2.029
  259    HE1  TYR 310           HE1      TYR 310   8.081   0.389   5.055
  260    HE2  TYR 310           HE2      TYR 310   4.815   0.679   2.328
  261    HH   TYR 310           HH       TYR 310   6.176  -1.167   4.807
  262    H    VAL 311           H        VAL 311   7.231   5.286   0.373
  263    HA   VAL 311           HA       VAL 311   7.475   2.883  -1.005
  264    HB   VAL 311           HB       VAL 311   7.146   5.656  -2.166
  265   1HG1  VAL 311          1HG1      VAL 311   7.820   3.983  -3.839
  266   2HG1  VAL 311          2HG1      VAL 311   6.175   4.562  -4.098
  267   3HG1  VAL 311          3HG1      VAL 311   6.448   2.980  -3.370
  268   1HG2  VAL 311          1HG2      VAL 311   5.450   5.088  -0.488
  269   2HG2  VAL 311          2HG2      VAL 311   5.062   3.619  -1.384
  270   3HG2  VAL 311          3HG2      VAL 311   4.760   5.199  -2.106
  271    H    ASN 312           H        ASN 312   9.455   5.820  -1.202
  272    HA   ASN 312           HA       ASN 312  11.198   4.898  -3.222
  273   1HB   ASN 312          1HB       ASN 312  11.003   7.274  -2.657
  274   2HB   ASN 312          2HB       ASN 312  11.670   6.963  -1.058
  275   1HD2  ASN 312          1HD2      ASN 312  12.350   7.252  -4.444
  276   2HD2  ASN 312          2HD2      ASN 312  14.071   7.303  -4.304
  277    H    LYS 313           H        LYS 313  11.130   4.518   0.250
  278    HA   LYS 313           HA       LYS 313  13.771   3.601   0.614
  279   1HB   LYS 313          1HB       LYS 313  12.368   4.320   2.489
  280   2HB   LYS 313          2HB       LYS 313  11.276   2.972   2.207
  281   1HG   LYS 313          1HG       LYS 313  13.008   1.394   2.797
  282   2HG   LYS 313          2HG       LYS 313  14.173   2.707   2.981
  283   1HD   LYS 313          1HD       LYS 313  12.860   3.630   4.817
  284   2HD   LYS 313          2HD       LYS 313  11.663   2.348   4.619
  285   1HE   LYS 313          1HE       LYS 313  13.208   1.887   6.471
  286   2HE   LYS 313          2HE       LYS 313  13.320   0.673   5.197
  287   1HZ   LYS 313          1HZ       LYS 313  15.502   1.352   6.004
  288   2HZ   LYS 313          2HZ       LYS 313  15.188   2.954   5.561
  289   3HZ   LYS 313          3HZ       LYS 313  15.305   1.757   4.372
  290    H    ILE 314           H        ILE 314  10.743   1.954  -0.157
  291    HA   ILE 314           HA       ILE 314  11.783  -0.683  -0.028
  292    HB   ILE 314           HB       ILE 314   9.434   0.311  -1.651
  293   1HG1  ILE 314          1HG1      ILE 314   9.486  -0.848   1.146
  294   2HG1  ILE 314          2HG1      ILE 314   9.265   0.857   0.766
  295   1HG2  ILE 314          1HG2      ILE 314  10.108  -2.461  -0.666
  296   2HG2  ILE 314          2HG2      ILE 314  10.235  -1.897  -2.333
  297   3HG2  ILE 314          3HG2      ILE 314   8.656  -1.998  -1.555
  298   1HD1  ILE 314          1HD1      ILE 314   7.419  -1.380  -0.032
  299   2HD1  ILE 314          2HD1      ILE 314   7.197   0.327  -0.413
  300   3HD1  ILE 314          3HD1      ILE 314   7.149  -0.217   1.263
  301    H    LYS 315           H        LYS 315  11.346   1.632  -2.669
  302    HA   LYS 315           HA       LYS 315  12.203  -0.054  -4.757
  303   1HB   LYS 315          1HB       LYS 315  10.969   2.067  -5.087
  304   2HB   LYS 315          2HB       LYS 315  12.398   2.957  -4.581
  305   1HG   LYS 315          1HG       LYS 315  13.633   2.085  -6.490
  306   2HG   LYS 315          2HG       LYS 315  12.217   1.162  -6.993
  307   1HD   LYS 315          1HD       LYS 315  10.963   3.277  -7.232
  308   2HD   LYS 315          2HD       LYS 315  12.427   4.166  -6.808
  309   1HE   LYS 315          1HE       LYS 315  12.079   2.345  -9.187
  310   2HE   LYS 315          2HE       LYS 315  12.100   4.107  -9.225
  311   1HZ   LYS 315          1HZ       LYS 315  14.238   3.176  -9.855
  312   2HZ   LYS 315          2HZ       LYS 315  14.357   2.375  -8.370
  313   3HZ   LYS 315          3HZ       LYS 315  14.375   4.065  -8.422
  314    H    ASN 316           H        ASN 316  13.948   1.913  -2.453
  315    HA   ASN 316           HA       ASN 316  16.456   1.832  -3.819
  316   1HB   ASN 316          1HB       ASN 316  15.887   3.595  -2.185
  317   2HB   ASN 316          2HB       ASN 316  15.873   2.388  -0.902
  318   1HD2  ASN 316          1HD2      ASN 316  17.815   1.478  -0.216
  319   2HD2  ASN 316          2HD2      ASN 316  19.340   2.207  -0.572
  320    H    ARG 317           H        ARG 317  15.383   0.274  -0.792
  321    HA   ARG 317           HA       ARG 317  17.584  -1.395  -0.473
  322   1HB   ARG 317          1HB       ARG 317  14.724  -1.873   0.379
  323   2HB   ARG 317          2HB       ARG 317  16.117  -2.760   0.980
  324   1HG   ARG 317          1HG       ARG 317  15.692   0.206   1.297
  325   2HG   ARG 317          2HG       ARG 317  15.345  -1.009   2.529
  326   1HD   ARG 317          1HD       ARG 317  18.043  -0.399   1.323
  327   2HD   ARG 317          2HD       ARG 317  17.500   0.040   2.941
  328    HE   ARG 317           HE       ARG 317  17.243  -2.710   2.729
  329   1HH1  ARG 317          1HH1      ARG 317  19.794  -0.339   2.623
  330   2HH1  ARG 317          2HH1      ARG 317  21.002  -1.422   3.229
  331   1HH2  ARG 317          1HH2      ARG 317  18.828  -4.143   3.527
  332   2HH2  ARG 317          2HH2      ARG 317  20.453  -3.584   3.744
  333    H    PHE 318           H        PHE 318  14.672  -1.845  -2.392
  334    HA   PHE 318           HA       PHE 318  15.710  -4.453  -3.280
  335   1HB   PHE 318          1HB       PHE 318  12.901  -3.340  -3.319
  336   2HB   PHE 318          2HB       PHE 318  13.367  -4.849  -4.098
  337    HD1  PHE 318           HD1      PHE 318  13.819  -6.823  -2.816
  338    HD2  PHE 318           HD2      PHE 318  12.879  -3.146  -0.889
  339    HE1  PHE 318           HE1      PHE 318  13.463  -8.027  -0.701
  340    HE2  PHE 318           HE2      PHE 318  12.522  -4.343   1.230
  341    HZ   PHE 318           HZ       PHE 318  12.814  -6.787   1.326
  342    H    GLN 319           H        GLN 319  16.785  -2.035  -4.292
  343    HA   GLN 319           HA       GLN 319  15.628  -1.266  -6.751
  344   1HB   GLN 319          1HB       GLN 319  17.270   0.117  -5.565
  345   2HB   GLN 319          2HB       GLN 319  18.508  -1.099  -5.845
  346   1HG   GLN 319          1HG       GLN 319  18.309  -0.739  -8.256
  347   2HG   GLN 319          2HG       GLN 319  17.083   0.492  -7.965
  348   1HE2  GLN 319          1HE2      GLN 319  18.437   1.498  -5.582
  349   2HE2  GLN 319          2HE2      GLN 319  19.793   2.405  -6.150
  350    H    GLY 320           H        GLY 320  17.709  -3.901  -5.830
  351   1HA   GLY 320          1HA       GLY 320  18.570  -4.550  -8.487
  352   2HA   GLY 320          2HA       GLY 320  18.743  -5.561  -7.060
  353    H    GLN 321           H        GLN 321  15.780  -5.313  -6.572
  354    HA   GLN 321           HA       GLN 321  14.892  -7.170  -8.683
  355   1HB   GLN 321          1HB       GLN 321  14.278  -7.242  -5.726
  356   2HB   GLN 321          2HB       GLN 321  13.485  -8.255  -6.925
  357   1HG   GLN 321          1HG       GLN 321  15.633  -9.265  -7.494
  358   2HG   GLN 321          2HG       GLN 321  16.428  -8.249  -6.294
  359   1HE2  GLN 321          1HE2      GLN 321  16.254 -11.161  -6.497
  360   2HE2  GLN 321          2HE2      GLN 321  15.561 -11.701  -5.009
  361    HA   PRO 322           HA       PRO 322  11.975  -3.613  -8.802
  362   1HB   PRO 322          1HB       PRO 322  11.346  -3.926 -11.433
  363   2HB   PRO 322          2HB       PRO 322  12.751  -3.011 -10.876
  364   1HG   PRO 322          1HG       PRO 322  12.604  -5.819 -11.901
  365   2HG   PRO 322          2HG       PRO 322  13.802  -4.559 -12.253
  366   1HD   PRO 322          1HD       PRO 322  14.275  -6.552 -10.491
  367   2HD   PRO 322          2HD       PRO 322  14.950  -4.923 -10.284
  368    H    ASP 323           H        ASP 323  11.718  -6.975  -9.461
  369    HA   ASP 323           HA       ASP 323   8.975  -7.137 -10.111
  370   1HB   ASP 323          1HB       ASP 323  10.771  -9.182  -8.789
  371   2HB   ASP 323          2HB       ASP 323   9.182  -9.520  -9.469
  372    H    ILE 324           H        ILE 324  10.719  -7.186  -7.043
  373    HA   ILE 324           HA       ILE 324   8.560  -7.856  -5.372
  374    HB   ILE 324           HB       ILE 324  10.877  -6.067  -4.627
  375   1HG1  ILE 324          1HG1      ILE 324  11.711  -8.106  -5.713
  376   2HG1  ILE 324          2HG1      ILE 324  12.078  -8.112  -3.992
  377   1HG2  ILE 324          1HG2      ILE 324  10.535  -7.013  -2.387
  378   2HG2  ILE 324          2HG2      ILE 324   9.144  -7.913  -2.991
  379   3HG2  ILE 324          3HG2      ILE 324   9.112  -6.150  -2.969
  380   1HD1  ILE 324          1HD1      ILE 324  11.365 -10.299  -4.740
  381   2HD1  ILE 324          2HD1      ILE 324   9.849  -9.625  -5.335
  382   3HD1  ILE 324          3HD1      ILE 324  10.196  -9.625  -3.605
  383    H    TYR 325           H        TYR 325   9.828  -4.710  -6.409
  384    HA   TYR 325           HA       TYR 325   8.068  -3.098  -4.933
  385   1HB   TYR 325          1HB       TYR 325  10.120  -2.257  -6.016
  386   2HB   TYR 325          2HB       TYR 325   9.387  -2.512  -7.595
  387    HD1  TYR 325           HD1      TYR 325   8.697  -0.579  -8.627
  388    HD2  TYR 325           HD2      TYR 325   8.392  -0.847  -4.391
  389    HE1  TYR 325           HE1      TYR 325   7.763   1.696  -8.556
  390    HE2  TYR 325           HE2      TYR 325   7.456   1.425  -4.310
  391    HH   TYR 325           HH       TYR 325   6.377   3.073  -7.080
  392    H    LYS 326           H        LYS 326   7.888  -4.232  -8.301
  393    HA   LYS 326           HA       LYS 326   5.446  -3.058  -8.969
  394   1HB   LYS 326          1HB       LYS 326   6.710  -5.619  -9.960
  395   2HB   LYS 326          2HB       LYS 326   5.297  -4.875 -10.695
  396   1HG   LYS 326          1HG       LYS 326   6.569  -2.920 -11.284
  397   2HG   LYS 326          2HG       LYS 326   7.980  -3.539 -10.423
  398   1HD   LYS 326          1HD       LYS 326   8.135  -5.405 -11.973
  399   2HD   LYS 326          2HD       LYS 326   6.681  -4.854 -12.809
  400   1HE   LYS 326          1HE       LYS 326   7.813  -2.802 -13.459
  401   2HE   LYS 326          2HE       LYS 326   9.255  -3.297 -12.574
  402   1HZ   LYS 326          1HZ       LYS 326   9.500  -5.169 -14.069
  403   2HZ   LYS 326          2HZ       LYS 326   9.459  -3.724 -14.947
  404   3HZ   LYS 326          3HZ       LYS 326   8.096  -4.725 -14.906
  405    H    ALA 327           H        ALA 327   6.193  -6.055  -7.302
  406    HA   ALA 327           HA       ALA 327   3.637  -7.214  -7.343
  407   1HB   ALA 327          1HB       ALA 327   4.409  -8.581  -5.486
  408   2HB   ALA 327          2HB       ALA 327   5.768  -7.488  -5.224
  409   3HB   ALA 327          3HB       ALA 327   5.671  -8.433  -6.710
  410    H    PHE 328           H        PHE 328   5.208  -5.288  -4.780
  411    HA   PHE 328           HA       PHE 328   3.089  -5.163  -3.006
  412   1HB   PHE 328          1HB       PHE 328   5.355  -4.369  -2.480
  413   2HB   PHE 328          2HB       PHE 328   5.140  -3.013  -3.581
  414    HD1  PHE 328           HD1      PHE 328   2.839  -4.431  -1.006
  415    HD2  PHE 328           HD2      PHE 328   5.171  -1.109  -2.292
  416    HE1  PHE 328           HE1      PHE 328   1.931  -3.084   0.838
  417    HE2  PHE 328           HE2      PHE 328   4.263   0.244  -0.450
  418    HZ   PHE 328           HZ       PHE 328   2.642  -0.744   1.119
  419    H    LEU 329           H        LEU 329   3.854  -2.934  -5.674
  420    HA   LEU 329           HA       LEU 329   1.728  -1.156  -5.303
  421   1HB   LEU 329          1HB       LEU 329   3.090  -1.998  -7.862
  422   2HB   LEU 329          2HB       LEU 329   2.001  -0.632  -7.723
  423    HG   LEU 329           HG       LEU 329   4.672  -0.915  -6.343
  424   1HD1  LEU 329          1HD1      LEU 329   5.293   0.983  -7.799
  425   2HD1  LEU 329          2HD1      LEU 329   3.748   0.815  -8.631
  426   3HD1  LEU 329          3HD1      LEU 329   4.932  -0.491  -8.697
  427   1HD2  LEU 329          1HD2      LEU 329   2.684   1.353  -6.309
  428   2HD2  LEU 329          2HD2      LEU 329   4.311   1.407  -5.634
  429   3HD2  LEU 329          3HD2      LEU 329   3.108   0.317  -4.946
  430    H    GLU 330           H        GLU 330   1.903  -4.189  -7.113
  431    HA   GLU 330           HA       GLU 330  -0.667  -4.056  -8.257
  432   1HB   GLU 330          1HB       GLU 330   1.150  -6.374  -7.615
  433   2HB   GLU 330          2HB       GLU 330  -0.409  -6.591  -8.399
  434   1HG   GLU 330          1HG       GLU 330   0.294  -5.234 -10.265
  435   2HG   GLU 330          2HG       GLU 330   1.824  -4.878  -9.468
  436    H    ILE 331           H        ILE 331   0.474  -5.100  -5.118
  437    HA   ILE 331           HA       ILE 331  -1.864  -6.465  -4.298
  438    HB   ILE 331           HB       ILE 331   0.199  -5.041  -2.604
  439   1HG1  ILE 331          1HG1      ILE 331  -0.054  -7.985  -3.256
  440   2HG1  ILE 331          2HG1      ILE 331   1.055  -6.889  -4.070
  441   1HG2  ILE 331          1HG2      ILE 331  -1.912  -7.055  -1.839
  442   2HG2  ILE 331          2HG2      ILE 331  -1.844  -5.361  -1.353
  443   3HG2  ILE 331          3HG2      ILE 331  -0.619  -6.491  -0.781
  444   1HD1  ILE 331          1HD1      ILE 331   2.184  -8.189  -2.356
  445   2HD1  ILE 331          2HD1      ILE 331   1.080  -7.556  -1.136
  446   3HD1  ILE 331          3HD1      ILE 331   2.200  -6.471  -1.960
  447    H    LEU 332           H        LEU 332  -0.710  -3.165  -3.594
  448    HA   LEU 332           HA       LEU 332  -3.067  -2.358  -2.253
  449   1HB   LEU 332          1HB       LEU 332  -1.155  -0.524  -3.682
  450   2HB   LEU 332          2HB       LEU 332  -2.182  -0.147  -2.313
  451    HG   LEU 332           HG       LEU 332   0.341  -1.789  -2.339
  452   1HD1  LEU 332          1HD1      LEU 332   0.761   0.532  -2.141
  453   2HD1  LEU 332          2HD1      LEU 332   0.914  -0.150  -0.522
  454   3HD1  LEU 332          3HD1      LEU 332  -0.541   0.737  -0.969
  455   1HD2  LEU 332          1HD2      LEU 332  -0.034  -2.315  -0.004
  456   2HD2  LEU 332          2HD2      LEU 332  -1.349  -2.967  -0.983
  457   3HD2  LEU 332          3HD2      LEU 332  -1.596  -1.494  -0.044
  458    H    HIS 333           H        HIS 333  -2.137  -2.383  -5.618
  459    HA   HIS 333           HA       HIS 333  -4.081  -0.567  -6.577
  460   1HB   HIS 333          1HB       HIS 333  -1.966  -1.781  -7.716
  461   2HB   HIS 333          2HB       HIS 333  -3.252  -2.812  -8.333
  462    HD1  HIS 333           HD1      HIS 333  -4.760  -1.845 -10.149
  463    HD2  HIS 333           HD2      HIS 333  -2.052   0.907  -8.609
  464    HE1  HIS 333           HE1      HIS 333  -4.873   0.143 -11.686
  465    HE2  HIS 333           HE2      HIS 333  -3.164   1.760 -10.784
  466    H    THR 334           H        THR 334  -4.033  -4.133  -6.748
  467    HA   THR 334           HA       THR 334  -6.651  -4.452  -7.655
  468    HB   THR 334           HB       THR 334  -5.096  -6.366  -5.902
  469    HG1  THR 334           HG1      THR 334  -3.953  -5.851  -7.806
  470   1HG2  THR 334          1HG2      THR 334  -6.491  -8.090  -6.979
  471   2HG2  THR 334          2HG2      THR 334  -7.402  -6.822  -7.799
  472   3HG2  THR 334          3HG2      THR 334  -7.455  -6.950  -6.041
  473    H    TYR 335           H        TYR 335  -5.368  -4.138  -4.388
  474    HA   TYR 335           HA       TYR 335  -7.644  -4.846  -2.937
  475   1HB   TYR 335          1HB       TYR 335  -5.370  -4.449  -1.986
  476   2HB   TYR 335          2HB       TYR 335  -5.624  -2.720  -2.198
  477    HD1  TYR 335           HD1      TYR 335  -7.036  -1.482  -0.697
  478    HD2  TYR 335           HD2      TYR 335  -6.658  -5.701  -0.313
  479    HE1  TYR 335           HE1      TYR 335  -8.112  -1.373   1.512
  480    HE2  TYR 335           HE2      TYR 335  -7.733  -5.603   1.896
  481    HH   TYR 335           HH       TYR 335  -8.101  -3.973   3.691
  482    H    GLN 336           H        GLN 336  -6.560  -1.561  -3.812
  483    HA   GLN 336           HA       GLN 336  -8.841  -0.216  -2.923
  484   1HB   GLN 336          1HB       GLN 336  -6.752   0.938  -3.443
  485   2HB   GLN 336          2HB       GLN 336  -6.929   0.532  -5.145
  486   1HG   GLN 336          1HG       GLN 336  -8.971   1.888  -5.240
  487   2HG   GLN 336          2HG       GLN 336  -8.751   2.317  -3.544
  488   1HE2  GLN 336          1HE2      GLN 336  -7.088   3.714  -2.965
  489   2HE2  GLN 336          2HE2      GLN 336  -6.276   4.706  -4.123
  490    H    LYS 337           H        LYS 337  -8.179  -1.891  -5.924
  491    HA   LYS 337           HA       LYS 337 -10.352  -0.844  -7.411
  492   1HB   LYS 337          1HB       LYS 337  -8.496  -1.915  -8.531
  493   2HB   LYS 337          2HB       LYS 337  -8.819  -3.431  -7.703
  494   1HG   LYS 337          1HG       LYS 337 -10.958  -3.614  -8.872
  495   2HG   LYS 337          2HG       LYS 337 -10.631  -2.092  -9.702
  496   1HD   LYS 337          1HD       LYS 337  -8.872  -4.536  -9.885
  497   2HD   LYS 337          2HD       LYS 337 -10.125  -4.125 -11.057
  498   1HE   LYS 337          1HE       LYS 337  -7.726  -2.435 -10.360
  499   2HE   LYS 337          2HE       LYS 337  -7.919  -3.401 -11.821
  500   1HZ   LYS 337          1HZ       LYS 337  -8.430  -1.080 -12.228
  501   2HZ   LYS 337          2HZ       LYS 337  -9.625  -1.102 -11.032
  502   3HZ   LYS 337          3HZ       LYS 337  -9.816  -2.032 -12.432
  503    H    GLU 338           H        GLU 338  -9.986  -3.702  -5.363
  504    HA   GLU 338           HA       GLU 338 -12.509  -4.835  -5.911
  505   1HB   GLU 338          1HB       GLU 338 -10.661  -5.118  -3.539
  506   2HB   GLU 338          2HB       GLU 338 -12.130  -6.063  -3.739
  507   1HG   GLU 338          1HG       GLU 338  -9.808  -6.040  -5.651
  508   2HG   GLU 338          2HG       GLU 338 -10.123  -7.279  -4.438
  509    H    GLN 339           H        GLN 339 -11.401  -2.769  -3.226
  510    HA   GLN 339           HA       GLN 339 -13.917  -2.651  -1.944
  511   1HB   GLN 339          1HB       GLN 339 -11.393  -1.062  -1.763
  512   2HB   GLN 339          2HB       GLN 339 -12.844  -0.459  -0.973
  513   1HG   GLN 339          1HG       GLN 339 -13.007  -2.695   0.174
  514   2HG   GLN 339          2HG       GLN 339 -11.397  -3.040  -0.454
  515   1HE2  GLN 339          1HE2      GLN 339 -12.331   0.175   0.479
  516   2HE2  GLN 339          2HE2      GLN 339 -11.360   0.262   1.905
  517    H    ARG 340           H        ARG 340 -12.340  -0.465  -4.255
  518    HA   ARG 340           HA       ARG 340 -14.266   1.564  -4.220
  519   1HB   ARG 340          1HB       ARG 340 -12.062   1.825  -5.267
  520   2HB   ARG 340          2HB       ARG 340 -12.513   0.678  -6.520
  521   1HG   ARG 340          1HG       ARG 340 -14.267   2.197  -7.288
  522   2HG   ARG 340          2HG       ARG 340 -13.816   3.349  -6.030
  523   1HD   ARG 340          1HD       ARG 340 -11.580   3.539  -7.010
  524   2HD   ARG 340          2HD       ARG 340 -12.034   2.388  -8.267
  525    HE   ARG 340           HE       ARG 340 -13.834   4.572  -8.223
  526   1HH1  ARG 340          1HH1      ARG 340 -10.597   3.702  -9.169
  527   2HH1  ARG 340          2HH1      ARG 340 -10.508   4.889 -10.427
  528   1HH2  ARG 340          1HH2      ARG 340 -13.725   6.138  -9.878
  529   2HH2  ARG 340          2HH2      ARG 340 -12.284   6.272 -10.830
  530    H    ASN 341           H        ASN 341 -14.062  -1.385  -6.168
  531    HA   ASN 341           HA       ASN 341 -16.321  -0.810  -7.784
  532   1HB   ASN 341          1HB       ASN 341 -14.505  -2.489  -8.303
  533   2HB   ASN 341          2HB       ASN 341 -15.249  -3.553  -7.113
  534   1HD2  ASN 341          1HD2      ASN 341 -15.567  -2.073 -10.234
  535   2HD2  ASN 341          2HD2      ASN 341 -16.880  -3.049 -10.789
  536    H    ALA 342           H        ALA 342 -15.886  -2.521  -4.732
  537    HA   ALA 342           HA       ALA 342 -18.495  -3.589  -4.546
  538   1HB   ALA 342          1HB       ALA 342 -16.588  -2.877  -2.320
  539   2HB   ALA 342          2HB       ALA 342 -16.625  -4.408  -3.198
  540   3HB   ALA 342          3HB       ALA 342 -17.993  -3.937  -2.188
  541    H    LYS 343           H        LYS 343 -17.118  -0.490  -3.635
  542    HA   LYS 343           HA       LYS 343 -19.465   0.381  -2.214
  543   1HB   LYS 343          1HB       LYS 343 -17.076   1.138  -1.772
  544   2HB   LYS 343          2HB       LYS 343 -17.209   2.107  -3.232
  545   1HG   LYS 343          1HG       LYS 343 -19.253   2.402  -1.080
  546   2HG   LYS 343          2HG       LYS 343 -17.672   3.164  -0.900
  547   1HD   LYS 343          1HD       LYS 343 -18.009   4.290  -3.077
  548   2HD   LYS 343          2HD       LYS 343 -19.623   3.583  -3.165
  549   1HE   LYS 343          1HE       LYS 343 -19.705   5.884  -2.351
  550   2HE   LYS 343          2HE       LYS 343 -20.259   4.748  -1.122
  551   1HZ   LYS 343          1HZ       LYS 343 -18.097   4.890  -0.060
  552   2HZ   LYS 343          2HZ       LYS 343 -18.790   6.427  -0.192
  553   3HZ   LYS 343          3HZ       LYS 343 -17.552   5.965  -1.248
  554    H    GLU 344           H        GLU 344 -18.090   0.819  -5.423
  555    HA   GLU 344           HA       GLU 344 -19.821   2.853  -6.314
  556   1HB   GLU 344          1HB       GLU 344 -17.745   2.289  -7.479
  557   2HB   GLU 344          2HB       GLU 344 -18.392   0.707  -7.895
  558   1HG   GLU 344          1HG       GLU 344 -20.155   1.809  -9.217
  559   2HG   GLU 344          2HG       GLU 344 -19.423   3.371  -8.849
  560    H    ALA 345           H        ALA 345 -20.058  -0.675  -6.431
  561    HA   ALA 345           HA       ALA 345 -22.387  -0.818  -8.008
  562   1HB   ALA 345          1HB       ALA 345 -22.590  -3.104  -7.181
  563   2HB   ALA 345          2HB       ALA 345 -21.395  -2.764  -5.930
  564   3HB   ALA 345          3HB       ALA 345 -20.925  -2.737  -7.630
  565    H    GLY 346           H        GLY 346 -21.898  -0.559  -4.518
  566   1HA   GLY 346          1HA       GLY 346 -23.340  -0.002  -2.821
  567   2HA   GLY 346          2HA       GLY 346 -24.343   0.741  -4.058
  568    H    GLY 347           H        GLY 347 -23.676  -2.589  -4.498
  569   1HA   GLY 347          1HA       GLY 347 -26.222  -3.334  -3.217
  570   2HA   GLY 347          2HA       GLY 347 -25.938  -3.747  -4.901
  571    H    ASN 348           H        ASN 348 -26.197  -5.961  -4.380
  572    HA   ASN 348           HA       ASN 348 -24.622  -7.299  -2.449
  573   1HB   ASN 348          1HB       ASN 348 -25.972  -8.402  -4.924
  574   2HB   ASN 348          2HB       ASN 348 -25.354  -9.362  -3.583
  575   1HD2  ASN 348          1HD2      ASN 348 -27.387 -10.228  -3.171
  576   2HD2  ASN 348          2HD2      ASN 348 -28.640  -9.307  -2.420
  577    H    TYR 349           H        TYR 349 -22.462  -7.236  -2.536
  578    HA   TYR 349           HA       TYR 349 -21.144  -8.347  -4.873
  579   1HB   TYR 349          1HB       TYR 349 -21.275  -5.829  -5.179
  580   2HB   TYR 349          2HB       TYR 349 -20.213  -5.690  -3.781
  581    HD1  TYR 349           HD1      TYR 349 -17.872  -6.284  -3.934
  582    HD2  TYR 349           HD2      TYR 349 -20.448  -6.735  -7.288
  583    HE1  TYR 349           HE1      TYR 349 -15.913  -6.555  -5.395
  584    HE2  TYR 349           HE2      TYR 349 -18.497  -7.007  -8.759
  585    HH   TYR 349           HH       TYR 349 -15.343  -7.506  -7.552
  586    H    THR 350           H        THR 350 -19.114  -9.232  -4.434
  587    HA   THR 350           HA       THR 350 -18.150  -9.075  -1.674
  588    HB   THR 350           HB       THR 350 -19.432 -11.053  -1.540
  589    HG1  THR 350           HG1      THR 350 -16.861 -11.127  -1.272
  590   1HG2  THR 350          1HG2      THR 350 -19.797 -11.338  -3.970
  591   2HG2  THR 350          2HG2      THR 350 -19.375 -12.848  -3.164
  592   3HG2  THR 350          3HG2      THR 350 -18.164 -11.990  -4.115
  593    HA   PRO 351           HA       PRO 351 -14.483  -8.467  -4.289
  594   1HB   PRO 351          1HB       PRO 351 -12.827  -7.948  -2.149
  595   2HB   PRO 351          2HB       PRO 351 -13.805  -6.731  -2.973
  596   1HG   PRO 351          1HG       PRO 351 -14.361  -8.210  -0.436
  597   2HG   PRO 351          2HG       PRO 351 -14.642  -6.502  -0.823
  598   1HD   PRO 351          1HD       PRO 351 -16.643  -8.290  -0.829
  599   2HD   PRO 351          2HD       PRO 351 -16.583  -6.962  -2.006
  600    H    ALA 352           H        ALA 352 -12.082  -9.268  -3.838
  601    HA   ALA 352           HA       ALA 352 -12.251 -12.047  -2.869
  602   1HB   ALA 352          1HB       ALA 352 -12.183 -11.938  -5.327
  603   2HB   ALA 352          2HB       ALA 352 -10.766 -12.739  -4.648
  604   3HB   ALA 352          3HB       ALA 352 -10.646 -11.078  -5.229
  605    H    LEU 353           H        LEU 353 -10.821  -9.076  -2.428
  606    HA   LEU 353           HA       LEU 353  -8.497 -10.312  -1.108
  607   1HB   LEU 353          1HB       LEU 353  -7.910  -8.983  -3.140
  608   2HB   LEU 353          2HB       LEU 353  -8.569  -7.564  -2.348
  609    HG   LEU 353           HG       LEU 353  -6.870  -7.785  -0.568
  610   1HD1  LEU 353          1HD1      LEU 353  -4.987  -9.322  -0.895
  611   2HD1  LEU 353          2HD1      LEU 353  -5.816 -10.030  -2.282
  612   3HD1  LEU 353          3HD1      LEU 353  -6.510 -10.182  -0.668
  613   1HD2  LEU 353          1HD2      LEU 353  -6.448  -6.344  -2.493
  614   2HD2  LEU 353          2HD2      LEU 353  -5.741  -7.704  -3.364
  615   3HD2  LEU 353          3HD2      LEU 353  -4.956  -7.083  -1.913
  616    H    THR 354           H        THR 354  -8.062  -9.715   0.958
  617    HA   THR 354           HA       THR 354  -9.743  -7.614   2.158
  618    HB   THR 354           HB       THR 354  -9.918  -8.986   4.213
  619    HG1  THR 354           HG1      THR 354  -8.066 -10.339   3.738
  620   1HG2  THR 354          1HG2      THR 354 -11.575 -10.583   3.364
  621   2HG2  THR 354          2HG2      THR 354 -10.974 -10.335   1.725
  622   3HG2  THR 354          3HG2      THR 354 -11.746  -9.007   2.592
  623    H    GLU 355           H        GLU 355  -8.863  -7.367   4.600
  624    HA   GLU 355           HA       GLU 355  -6.312  -6.167   4.339
  625   1HB   GLU 355          1HB       GLU 355  -7.813  -6.854   6.872
  626   2HB   GLU 355          2HB       GLU 355  -6.494  -5.703   6.726
  627   1HG   GLU 355          1HG       GLU 355  -7.861  -4.290   5.300
  628   2HG   GLU 355          2HG       GLU 355  -9.183  -5.454   5.399
  629    H    GLN 356           H        GLN 356  -7.422  -9.149   5.892
  630    HA   GLN 356           HA       GLN 356  -4.961  -9.890   7.036
  631   1HB   GLN 356          1HB       GLN 356  -7.259 -11.632   6.129
  632   2HB   GLN 356          2HB       GLN 356  -5.939 -12.157   7.165
  633   1HG   GLN 356          1HG       GLN 356  -6.622 -10.495   8.842
  634   2HG   GLN 356          2HG       GLN 356  -7.976 -10.037   7.808
  635   1HE2  GLN 356          1HE2      GLN 356  -9.713 -11.437   7.576
  636   2HE2  GLN 356          2HE2      GLN 356  -9.976 -12.768   8.646
  637    H    GLU 357           H        GLU 357  -6.470 -10.820   3.953
  638    HA   GLU 357           HA       GLU 357  -4.528 -12.591   3.063
  639   1HB   GLU 357          1HB       GLU 357  -6.736 -12.219   1.984
  640   2HB   GLU 357          2HB       GLU 357  -6.140 -10.690   1.354
  641   1HG   GLU 357          1HG       GLU 357  -6.069 -12.447  -0.328
  642   2HG   GLU 357          2HG       GLU 357  -4.454 -11.852   0.054
  643    H    VAL 358           H        VAL 358  -4.694  -9.067   2.670
  644    HA   VAL 358           HA       VAL 358  -2.417  -8.787   1.054
  645    HB   VAL 358           HB       VAL 358  -3.698  -6.861   2.995
  646   1HG1  VAL 358          1HG1      VAL 358  -1.388  -6.209   2.808
  647   2HG1  VAL 358          2HG1      VAL 358  -2.369  -5.101   1.848
  648   3HG1  VAL 358          3HG1      VAL 358  -1.442  -6.373   1.053
  649   1HG2  VAL 358          1HG2      VAL 358  -4.541  -5.794   0.975
  650   2HG2  VAL 358          2HG2      VAL 358  -5.031  -7.487   1.035
  651   3HG2  VAL 358          3HG2      VAL 358  -3.706  -6.987  -0.018
  652    H    TYR 359           H        TYR 359  -2.758  -8.391   4.580
  653    HA   TYR 359           HA       TYR 359  -0.154  -7.850   5.256
  654   1HB   TYR 359          1HB       TYR 359  -2.030  -7.854   6.853
  655   2HB   TYR 359          2HB       TYR 359  -2.086  -9.611   6.781
  656    HD1  TYR 359           HD1      TYR 359  -0.653 -10.928   8.121
  657    HD2  TYR 359           HD2      TYR 359  -0.004  -6.734   7.832
  658    HE1  TYR 359           HE1      TYR 359   0.962 -11.056   9.971
  659    HE2  TYR 359           HE2      TYR 359   1.613  -6.850   9.681
  660    HH   TYR 359           HH       TYR 359   2.113  -8.321  11.598
  661    H    ALA 360           H        ALA 360  -1.616 -10.997   4.600
  662    HA   ALA 360           HA       ALA 360   0.606 -12.574   5.344
  663   1HB   ALA 360          1HB       ALA 360  -1.655 -13.482   5.107
  664   2HB   ALA 360          2HB       ALA 360  -0.491 -14.373   4.128
  665   3HB   ALA 360          3HB       ALA 360  -1.578 -13.212   3.366
  666    H    GLN 361           H        GLN 361  -0.542 -11.656   2.086
  667    HA   GLN 361           HA       GLN 361   1.561 -12.719   0.624
  668   1HB   GLN 361          1HB       GLN 361  -0.049 -10.231   0.026
  669   2HB   GLN 361          2HB       GLN 361   0.941 -11.100  -1.138
  670   1HG   GLN 361          1HG       GLN 361  -0.480 -13.015  -1.020
  671   2HG   GLN 361          2HG       GLN 361  -1.391 -12.318   0.320
  672   1HE2  GLN 361          1HE2      GLN 361  -0.793 -12.223  -3.103
  673   2HE2  GLN 361          2HE2      GLN 361  -2.164 -11.257  -3.522
  674    H    VAL 362           H        VAL 362   1.218  -9.398   1.846
  675    HA   VAL 362           HA       VAL 362   3.657  -8.410   0.910
  676    HB   VAL 362           HB       VAL 362   2.244  -7.539   3.437
  677   1HG1  VAL 362          1HG1      VAL 362   4.520  -6.658   3.156
  678   2HG1  VAL 362          2HG1      VAL 362   3.301  -5.390   3.023
  679   3HG1  VAL 362          3HG1      VAL 362   4.070  -6.028   1.569
  680   1HG2  VAL 362          1HG2      VAL 362   1.847  -6.441   0.659
  681   2HG2  VAL 362          2HG2      VAL 362   0.958  -6.022   2.124
  682   3HG2  VAL 362          3HG2      VAL 362   0.769  -7.618   1.405
  683    H    ALA 363           H        ALA 363   2.844 -10.137   3.875
  684    HA   ALA 363           HA       ALA 363   5.286  -9.762   5.226
  685   1HB   ALA 363          1HB       ALA 363   3.361 -12.076   5.433
  686   2HB   ALA 363          2HB       ALA 363   3.256 -10.563   6.335
  687   3HB   ALA 363          3HB       ALA 363   4.613 -11.658   6.603
  688    H    ARG 364           H        ARG 364   4.177 -12.309   3.029
  689    HA   ARG 364           HA       ARG 364   6.438 -13.966   3.229
  690   1HB   ARG 364          1HB       ARG 364   4.282 -14.681   2.262
  691   2HB   ARG 364          2HB       ARG 364   4.556 -13.618   0.889
  692   1HG   ARG 364          1HG       ARG 364   6.616 -14.929   0.379
  693   2HG   ARG 364          2HG       ARG 364   6.141 -16.058   1.649
  694   1HD   ARG 364          1HD       ARG 364   4.542 -15.372  -0.815
  695   2HD   ARG 364          2HD       ARG 364   5.441 -16.864  -0.542
  696    HE   ARG 364           HE       ARG 364   3.754 -16.796   1.557
  697   1HH1  ARG 364          1HH1      ARG 364   3.269 -16.429  -1.874
  698   2HH1  ARG 364          2HH1      ARG 364   1.671 -17.097  -1.849
  699   1HH2  ARG 364          1HH2      ARG 364   1.653 -17.676   1.600
  700   2HH2  ARG 364          2HH2      ARG 364   0.752 -17.805   0.127
  701    H    LEU 365           H        LEU 365   5.654 -11.321   0.996
  702    HA   LEU 365           HA       LEU 365   7.903 -11.582  -0.668
  703   1HB   LEU 365          1HB       LEU 365   6.327  -9.101   0.021
  704   2HB   LEU 365          2HB       LEU 365   7.457  -9.241  -1.312
  705    HG   LEU 365           HG       LEU 365   4.915 -10.846  -1.029
  706   1HD1  LEU 365          1HD1      LEU 365   5.551  -8.487  -2.794
  707   2HD1  LEU 365          2HD1      LEU 365   4.451  -8.489  -1.415
  708   3HD1  LEU 365          3HD1      LEU 365   4.072  -9.449  -2.845
  709   1HD2  LEU 365          1HD2      LEU 365   5.350 -11.499  -3.345
  710   2HD2  LEU 365          2HD2      LEU 365   6.651 -12.024  -2.276
  711   3HD2  LEU 365          3HD2      LEU 365   6.874 -10.613  -3.311
  712    H    PHE 366           H        PHE 366   7.368  -9.345   2.062
  713    HA   PHE 366           HA       PHE 366  10.184  -8.638   2.066
  714   1HB   PHE 366          1HB       PHE 366   7.912  -7.715   3.837
  715   2HB   PHE 366          2HB       PHE 366   9.548  -7.066   3.867
  716    HD1  PHE 366           HD1      PHE 366  10.411  -6.313   1.442
  717    HD2  PHE 366           HD2      PHE 366   6.343  -6.530   2.674
  718    HE1  PHE 366           HE1      PHE 366   9.801  -4.695  -0.306
  719    HE2  PHE 366           HE2      PHE 366   5.724  -4.911   0.925
  720    HZ   PHE 366           HZ       PHE 366   7.455  -3.992  -0.568
  721    H    LYS 367           H        LYS 367   9.895 -11.310   2.586
  722    HA   LYS 367           HA       LYS 367   9.633 -12.106   5.233
  723   1HB   LYS 367          1HB       LYS 367   9.801 -13.691   3.375
  724   2HB   LYS 367          2HB       LYS 367  11.475 -13.224   3.112
  725   1HG   LYS 367          1HG       LYS 367  11.363 -15.332   4.283
  726   2HG   LYS 367          2HG       LYS 367  12.059 -14.092   5.327
  727   1HD   LYS 367          1HD       LYS 367   9.923 -13.822   6.461
  728   2HD   LYS 367          2HD       LYS 367   9.184 -15.010   5.386
  729   1HE   LYS 367          1HE       LYS 367  11.470 -15.554   7.278
  730   2HE   LYS 367          2HE       LYS 367   9.780 -15.955   7.585
  731   1HZ   LYS 367          1HZ       LYS 367   9.815 -17.406   5.647
  732   2HZ   LYS 367          2HZ       LYS 367  11.000 -17.867   6.764
  733   3HZ   LYS 367          3HZ       LYS 367  11.441 -17.026   5.365
  734    H    ASN 368           H        ASN 368  11.063 -12.383   6.931
  735    HA   ASN 368           HA       ASN 368  12.868 -12.040   8.274
  736   1HB   ASN 368          1HB       ASN 368  14.243 -12.742   6.293
  737   2HB   ASN 368          2HB       ASN 368  14.361 -11.045   5.840
  738   1HD2  ASN 368          1HD2      ASN 368  16.449 -12.935   6.560
  739   2HD2  ASN 368          2HD2      ASN 368  17.286 -12.239   7.903
  740    H    GLN 369           H        GLN 369  12.415  -9.450   5.871
  741    HA   GLN 369           HA       GLN 369  13.073  -7.438   7.861
  742   1HB   GLN 369          1HB       GLN 369  12.183  -7.093   4.991
  743   2HB   GLN 369          2HB       GLN 369  12.818  -5.831   6.038
  744   1HG   GLN 369          1HG       GLN 369  14.384  -8.278   5.273
  745   2HG   GLN 369          2HG       GLN 369  14.420  -6.776   4.353
  746   1HE2  GLN 369          1HE2      GLN 369  16.598  -6.455   4.734
  747   2HE2  GLN 369          2HE2      GLN 369  17.212  -5.980   6.279
  748    H    GLU 370           H        GLU 370  11.330  -7.832   9.307
  749    HA   GLU 370           HA       GLU 370   8.610  -7.531   8.443
  750   1HB   GLU 370          1HB       GLU 370   8.061  -7.660  10.832
  751   2HB   GLU 370          2HB       GLU 370   9.148  -8.954  10.349
  752   1HG   GLU 370          1HG       GLU 370  11.024  -7.801  11.330
  753   2HG   GLU 370          2HG       GLU 370  10.005  -6.417  11.723
  754    H    ASP 371           H        ASP 371  11.116  -5.395   9.384
  755    HA   ASP 371           HA       ASP 371   9.882  -3.284  10.609
  756   1HB   ASP 371          1HB       ASP 371  11.937  -3.095   8.396
  757   2HB   ASP 371          2HB       ASP 371  11.567  -1.834   9.568
  758    H    LEU 372           H        LEU 372  10.118  -3.764   7.085
  759    HA   LEU 372           HA       LEU 372   8.618  -1.515   6.357
  760   1HB   LEU 372          1HB       LEU 372   9.362  -4.070   5.015
  761   2HB   LEU 372          2HB       LEU 372   8.133  -3.067   4.269
  762    HG   LEU 372           HG       LEU 372   9.707  -1.205   4.120
  763   1HD1  LEU 372          1HD1      LEU 372  11.053  -1.585   6.073
  764   2HD1  LEU 372          2HD1      LEU 372  12.095  -1.581   4.649
  765   3HD1  LEU 372          3HD1      LEU 372  11.652  -3.106   5.413
  766   1HD2  LEU 372          1HD2      LEU 372  11.243  -2.170   2.472
  767   2HD2  LEU 372          2HD2      LEU 372   9.597  -2.768   2.265
  768   3HD2  LEU 372          3HD2      LEU 372  10.816  -3.787   3.030
  769    H    LEU 373           H        LEU 373   7.610  -4.863   6.956
  770    HA   LEU 373           HA       LEU 373   4.924  -4.571   6.220
  771   1HB   LEU 373          1HB       LEU 373   6.164  -6.721   6.674
  772   2HB   LEU 373          2HB       LEU 373   5.956  -6.395   8.384
  773    HG   LEU 373           HG       LEU 373   3.531  -6.505   8.138
  774   1HD1  LEU 373          1HD1      LEU 373   2.522  -7.230   6.027
  775   2HD1  LEU 373          2HD1      LEU 373   4.099  -7.129   5.243
  776   3HD1  LEU 373          3HD1      LEU 373   3.327  -5.670   5.862
  777   1HD2  LEU 373          1HD2      LEU 373   3.339  -8.894   7.613
  778   2HD2  LEU 373          2HD2      LEU 373   4.723  -8.553   8.653
  779   3HD2  LEU 373          3HD2      LEU 373   4.966  -8.863   6.934
  780    H    SER 374           H        SER 374   6.551  -3.987   9.307
  781    HA   SER 374           HA       SER 374   4.214  -3.538  10.827
  782   1HB   SER 374          1HB       SER 374   5.654  -2.621  12.510
  783   2HB   SER 374          2HB       SER 374   6.542  -3.938  11.745
  784    HG   SER 374           HG       SER 374   7.061  -1.240  11.771
  785    H    GLU 375           H        GLU 375   6.328  -1.405   8.968
  786    HA   GLU 375           HA       GLU 375   5.066   1.025   9.628
  787   1HB   GLU 375          1HB       GLU 375   6.576   0.237   7.127
  788   2HB   GLU 375          2HB       GLU 375   6.129   1.885   7.546
  789   1HG   GLU 375          1HG       GLU 375   7.519   1.786   9.529
  790   2HG   GLU 375          2HG       GLU 375   7.926   0.107   9.178
  791    H    PHE 376           H        PHE 376   4.368  -1.460   7.279
  792    HA   PHE 376           HA       PHE 376   2.380   0.055   5.867
  793   1HB   PHE 376          1HB       PHE 376   3.587  -1.685   4.695
  794   2HB   PHE 376          2HB       PHE 376   3.058  -2.892   5.860
  795    HD1  PHE 376           HD1      PHE 376   1.845  -0.567   3.247
  796    HD2  PHE 376           HD2      PHE 376   1.056  -4.054   5.554
  797    HE1  PHE 376           HE1      PHE 376  -0.120  -1.045   1.847
  798    HE2  PHE 376           HE2      PHE 376  -0.909  -4.540   4.155
  799    HZ   PHE 376           HZ       PHE 376  -1.500  -3.034   2.299
  800    H    GLY 377           H        GLY 377   2.444  -2.020   8.648
  801   1HA   GLY 377          1HA       GLY 377  -0.396  -2.550   8.626
  802   2HA   GLY 377          2HA       GLY 377   0.742  -3.003   9.882
  803    H    GLN 378           H        GLN 378   1.758  -0.307  10.297
  804    HA   GLN 378           HA       GLN 378  -0.009   0.536  12.293
  805   1HB   GLN 378          1HB       GLN 378   1.370   2.557  12.443
  806   2HB   GLN 378          2HB       GLN 378   2.361   1.111  12.324
  807   1HG   GLN 378          1HG       GLN 378   2.755   1.554   9.970
  808   2HG   GLN 378          2HG       GLN 378   1.726   2.980  10.054
  809   1HE2  GLN 378          1HE2      GLN 378   3.909   2.041  12.612
  810   2HE2  GLN 378          2HE2      GLN 378   5.020   3.348  12.410
  811    H    PHE 379           H        PHE 379   0.073   1.257   8.901
  812    HA   PHE 379           HA       PHE 379  -1.593   3.598   9.093
  813   1HB   PHE 379          1HB       PHE 379  -0.599   1.933   6.789
  814   2HB   PHE 379          2HB       PHE 379  -1.773   3.223   6.553
  815    HD1  PHE 379           HD1      PHE 379   1.621   2.436   6.531
  816    HD2  PHE 379           HD2      PHE 379  -1.074   5.529   7.669
  817    HE1  PHE 379           HE1      PHE 379   3.453   4.074   6.411
  818    HE2  PHE 379           HE2      PHE 379   0.753   7.170   7.549
  819    HZ   PHE 379           HZ       PHE 379   3.021   6.444   6.918
  820    H    LEU 380           H        LEU 380  -2.073   0.180   8.792
  821    HA   LEU 380           HA       LEU 380  -4.683   0.204   7.710
  822   1HB   LEU 380          1HB       LEU 380  -3.354  -1.834   9.498
  823   2HB   LEU 380          2HB       LEU 380  -4.844  -2.094   8.612
  824    HG   LEU 380           HG       LEU 380  -2.143  -1.574   7.368
  825   1HD1  LEU 380          1HD1      LEU 380  -2.277  -3.915   6.659
  826   2HD1  LEU 380          2HD1      LEU 380  -3.767  -4.104   7.582
  827   3HD1  LEU 380          3HD1      LEU 380  -2.252  -3.762   8.415
  828   1HD2  LEU 380          1HD2      LEU 380  -4.812  -2.227   6.128
  829   2HD2  LEU 380          2HD2      LEU 380  -3.274  -2.186   5.267
  830   3HD2  LEU 380          3HD2      LEU 380  -3.925  -0.710   5.979
  831    HA   PRO 381           HA       PRO 381  -7.090   1.438  11.212
  832   1HB   PRO 381          1HB       PRO 381  -9.466   0.304  10.659
  833   2HB   PRO 381          2HB       PRO 381  -8.820   1.636   9.693
  834   1HG   PRO 381          1HG       PRO 381  -8.798  -1.301   9.118
  835   2HG   PRO 381          2HG       PRO 381  -9.161   0.048   8.026
  836   1HD   PRO 381          1HD       PRO 381  -6.741  -1.212   8.106
  837   2HD   PRO 381          2HD       PRO 381  -6.941   0.487   7.636
  838    H    ASP 382           H        ASP 382  -9.009   0.228  12.612
  839    HA   ASP 382           HA       ASP 382  -7.573  -1.730  14.133
  840   1HB   ASP 382          1HB       ASP 382  -9.763  -1.769  15.470
  841   2HB   ASP 382          2HB       ASP 382  -8.868  -0.253  15.429
  842    H    ALA 383           H        ALA 383  -7.319  -3.522  12.813
  843    HA   ALA 383           HA       ALA 383  -9.757  -4.894  11.921
  844   1HB   ALA 383          1HB       ALA 383  -6.882  -5.425  11.175
  845   2HB   ALA 383          2HB       ALA 383  -8.038  -4.499  10.219
  846   3HB   ALA 383          3HB       ALA 383  -8.299  -6.222  10.492
  Start of MODEL   10
    1   1H    ARG   6          1H        ARG   6  -9.897   8.881   1.906
    2   2H    ARG   6          2H        ARG   6  -8.524   8.422   1.033
    3   3H    ARG   6          3H        ARG   6  -8.409   9.622   2.218
    4    HA   ARG   6           HA       ARG   6  -8.948   8.031   3.937
    5   1HB   ARG   6          1HB       ARG   6 -10.318   6.555   2.508
    6   2HB   ARG   6          2HB       ARG   6  -8.864   6.028   1.671
    7   1HG   ARG   6          1HG       ARG   6  -8.022   5.000   3.675
    8   2HG   ARG   6          2HG       ARG   6  -9.375   5.639   4.611
    9   1HD   ARG   6          1HD       ARG   6  -9.543   3.649   2.349
   10   2HD   ARG   6          2HD       ARG   6  -9.740   3.296   4.066
   11    HE   ARG   6           HE       ARG   6 -11.562   5.248   2.908
   12   1HH1  ARG   6          1HH1      ARG   6 -11.012   1.970   3.954
   13   2HH1  ARG   6          2HH1      ARG   6 -12.697   1.584   4.058
   14   1HH2  ARG   6          1HH2      ARG   6 -13.782   4.749   3.039
   15   2HH2  ARG   6          2HH2      ARG   6 -14.273   3.162   3.531
   16    H    MET   7           H        MET   7  -7.130   7.903   5.057
   17    HA   MET   7           HA       MET   7  -4.594   7.684   3.644
   18   1HB   MET   7          1HB       MET   7  -3.638   8.184   5.940
   19   2HB   MET   7          2HB       MET   7  -4.616   9.451   5.214
   20   1HG   MET   7          1HG       MET   7  -6.494   8.862   6.602
   21   2HG   MET   7          2HG       MET   7  -5.613   7.483   7.260
   22   1HE   MET   7          1HE       MET   7  -2.836   9.164   9.393
   23   2HE   MET   7          2HE       MET   7  -2.704   8.615   7.722
   24   3HE   MET   7          3HE       MET   7  -3.594   7.650   8.899
   25    H    ASN   8           H        ASN   8  -4.226   5.585   3.127
   26    HA   ASN   8           HA       ASN   8  -3.322   3.835   5.159
   27   1HB   ASN   8          1HB       ASN   8  -5.932   3.677   5.209
   28   2HB   ASN   8          2HB       ASN   8  -5.721   2.711   3.753
   29   1HD2  ASN   8          1HD2      ASN   8  -3.138   1.661   4.696
   30   2HD2  ASN   8          2HD2      ASN   8  -3.529   0.478   5.891
   31    H    ILE   9           H        ILE   9  -5.031   2.886   2.203
   32    HA   ILE   9           HA       ILE   9  -2.508   1.817   1.166
   33    HB   ILE   9           HB       ILE   9  -5.381   1.251   0.439
   34   1HG1  ILE   9          1HG1      ILE   9  -4.554  -1.118   0.983
   35   2HG1  ILE   9          2HG1      ILE   9  -3.145  -0.337   1.691
   36   1HG2  ILE   9          1HG2      ILE   9  -2.879   0.313  -0.957
   37   2HG2  ILE   9          2HG2      ILE   9  -4.172   1.301  -1.638
   38   3HG2  ILE   9          3HG2      ILE   9  -4.483  -0.379  -1.204
   39   1HD1  ILE   9          1HD1      ILE   9  -4.575   0.845   3.256
   40   2HD1  ILE   9          2HD1      ILE   9  -4.814  -0.898   3.371
   41   3HD1  ILE   9          3HD1      ILE   9  -6.000   0.103   2.531
   42    H    GLN  10           H        GLN  10  -5.282   3.791   0.151
   43    HA   GLN  10           HA       GLN  10  -4.358   4.429  -2.415
   44   1HB   GLN  10          1HB       GLN  10  -6.669   4.821  -1.662
   45   2HB   GLN  10          2HB       GLN  10  -6.100   6.079  -0.573
   46   1HG   GLN  10          1HG       GLN  10  -5.340   7.393  -2.481
   47   2HG   GLN  10          2HG       GLN  10  -5.898   6.129  -3.576
   48   1HE2  GLN  10          1HE2      GLN  10  -6.842   8.680  -1.414
   49   2HE2  GLN  10          2HE2      GLN  10  -8.493   8.774  -1.919
   50    H    MET  11           H        MET  11  -3.466   5.627   0.709
   51    HA   MET  11           HA       MET  11  -2.330   8.092  -0.079
   52   1HB   MET  11          1HB       MET  11  -2.938   7.229   2.283
   53   2HB   MET  11          2HB       MET  11  -1.359   6.457   2.252
   54   1HG   MET  11          1HG       MET  11  -1.184   8.553   3.387
   55   2HG   MET  11          2HG       MET  11  -0.327   8.659   1.850
   56   1HE   MET  11          1HE       MET  11  -1.012  11.188   3.515
   57   2HE   MET  11          2HE       MET  11  -1.729  12.292   2.340
   58   3HE   MET  11          3HE       MET  11  -0.302  11.350   1.909
   59    H    LEU  12           H        LEU  12  -0.727   5.030   0.808
   60    HA   LEU  12           HA       LEU  12   1.841   5.757  -0.004
   61   1HB   LEU  12          1HB       LEU  12   0.584   3.014   0.066
   62   2HB   LEU  12          2HB       LEU  12   2.303   3.328  -0.071
   63    HG   LEU  12           HG       LEU  12   0.602   4.137   2.288
   64   1HD1  LEU  12          1HD1      LEU  12   2.496   1.816   1.955
   65   2HD1  LEU  12          2HD1      LEU  12   0.744   1.722   2.138
   66   3HD1  LEU  12          3HD1      LEU  12   1.739   2.312   3.469
   67   1HD2  LEU  12          1HD2      LEU  12   2.542   5.569   1.969
   68   2HD2  LEU  12          2HD2      LEU  12   3.589   4.154   1.868
   69   3HD2  LEU  12          3HD2      LEU  12   2.762   4.533   3.379
   70    H    LEU  13           H        LEU  13  -0.793   4.239  -1.810
   71    HA   LEU  13           HA       LEU  13   0.658   3.659  -4.150
   72   1HB   LEU  13          1HB       LEU  13  -2.267   4.160  -3.649
   73   2HB   LEU  13          2HB       LEU  13  -1.648   3.776  -5.245
   74    HG   LEU  13           HG       LEU  13  -1.376   2.001  -2.817
   75   1HD1  LEU  13          1HD1      LEU  13  -3.032   0.583  -3.931
   76   2HD1  LEU  13          2HD1      LEU  13  -3.223   1.803  -5.192
   77   3HD1  LEU  13          3HD1      LEU  13  -3.693   2.168  -3.532
   78   1HD2  LEU  13          1HD2      LEU  13   0.441   1.657  -4.361
   79   2HD2  LEU  13          2HD2      LEU  13  -0.679   1.582  -5.720
   80   3HD2  LEU  13          3HD2      LEU  13  -0.691   0.312  -4.497
   81    H    GLU  14           H        GLU  14  -1.121   6.532  -3.127
   82    HA   GLU  14           HA       GLU  14  -0.957   7.953  -5.543
   83   1HB   GLU  14          1HB       GLU  14  -2.441   8.557  -3.648
   84   2HB   GLU  14          2HB       GLU  14  -1.029   9.061  -2.730
   85   1HG   GLU  14          1HG       GLU  14  -2.136  10.979  -3.668
   86   2HG   GLU  14          2HG       GLU  14  -0.554  10.771  -4.417
   87    H    ALA  15           H        ALA  15   1.166   7.898  -2.702
   88    HA   ALA  15           HA       ALA  15   3.005   9.825  -3.609
   89   1HB   ALA  15          1HB       ALA  15   4.522   8.899  -1.922
   90   2HB   ALA  15          2HB       ALA  15   3.452   7.509  -1.728
   91   3HB   ALA  15          3HB       ALA  15   2.894   9.122  -1.282
   92    H    ALA  16           H        ALA  16   2.862   6.318  -4.040
   93    HA   ALA  16           HA       ALA  16   5.390   5.986  -5.231
   94   1HB   ALA  16          1HB       ALA  16   4.561   3.843  -6.011
   95   2HB   ALA  16          2HB       ALA  16   2.901   4.337  -5.674
   96   3HB   ALA  16          3HB       ALA  16   4.045   4.125  -4.348
   97    H    ASP  17           H        ASP  17   2.184   6.551  -6.641
   98    HA   ASP  17           HA       ASP  17   3.022   6.467  -9.339
   99   1HB   ASP  17          1HB       ASP  17   0.667   6.216  -8.661
  100   2HB   ASP  17          2HB       ASP  17   0.646   7.891  -8.118
  101    H    TYR  18           H        TYR  18   2.945   8.982  -6.919
  102    HA   TYR  18           HA       TYR  18   3.277  11.222  -8.580
  103   1HB   TYR  18          1HB       TYR  18   2.661  11.522  -6.274
  104   2HB   TYR  18          2HB       TYR  18   4.123  10.714  -5.723
  105    HD1  TYR  18           HD1      TYR  18   2.764  13.802  -7.189
  106    HD2  TYR  18           HD2      TYR  18   6.220  11.888  -5.607
  107    HE1  TYR  18           HE1      TYR  18   3.901  15.978  -7.056
  108    HE2  TYR  18           HE2      TYR  18   7.366  14.060  -5.468
  109    HH   TYR  18           HH       TYR  18   7.243  16.277  -6.489
  110    H    LEU  19           H        LEU  19   5.739   9.458  -6.694
  111    HA   LEU  19           HA       LEU  19   7.964  10.763  -7.779
  112   1HB   LEU  19          1HB       LEU  19   7.905   7.910  -6.816
  113   2HB   LEU  19          2HB       LEU  19   9.282   8.992  -6.847
  114    HG   LEU  19           HG       LEU  19   6.849   9.406  -5.117
  115   1HD1  LEU  19          1HD1      LEU  19   8.045   7.372  -4.479
  116   2HD1  LEU  19          2HD1      LEU  19   8.240   8.641  -3.268
  117   3HD1  LEU  19          3HD1      LEU  19   9.553   8.284  -4.392
  118   1HD2  LEU  19          1HD2      LEU  19   8.082  11.450  -5.683
  119   2HD2  LEU  19          2HD2      LEU  19   9.569  10.712  -5.087
  120   3HD2  LEU  19          3HD2      LEU  19   8.241  11.042  -3.974
  121    H    GLU  20           H        GLU  20   6.320   7.790  -8.767
  122    HA   GLU  20           HA       GLU  20   8.089   6.983 -10.771
  123   1HB   GLU  20          1HB       GLU  20   6.252   5.586  -9.893
  124   2HB   GLU  20          2HB       GLU  20   5.087   6.627 -10.701
  125   1HG   GLU  20          1HG       GLU  20   6.053   6.009 -12.867
  126   2HG   GLU  20          2HG       GLU  20   7.192   4.945 -12.044
  127    H    ARG  21           H        ARG  21   5.640   9.455 -10.748
  128    HA   ARG  21           HA       ARG  21   5.013  11.038 -12.251
  129   1HB   ARG  21          1HB       ARG  21   7.418  11.560 -12.203
  130   2HB   ARG  21          2HB       ARG  21   7.693  10.404 -13.499
  131   1HG   ARG  21          1HG       ARG  21   6.278  11.755 -14.983
  132   2HG   ARG  21          2HG       ARG  21   6.058  12.927 -13.682
  133   1HD   ARG  21          1HD       ARG  21   8.482  13.309 -13.634
  134   2HD   ARG  21          2HD       ARG  21   8.683  12.158 -14.955
  135    HE   ARG  21           HE       ARG  21   6.878  14.326 -15.538
  136   1HH1  ARG  21          1HH1      ARG  21  10.196  13.256 -15.580
  137   2HH1  ARG  21          2HH1      ARG  21  10.668  14.354 -16.833
  138   1HH2  ARG  21          1HH2      ARG  21   7.491  15.771 -17.189
  139   2HH2  ARG  21          2HH2      ARG  21   9.131  15.785 -17.746
  140   1H    SER 295          1H        SER 295  -2.284  16.853  -2.589
  141   2H    SER 295          2H        SER 295  -2.975  16.260  -1.163
  142   3H    SER 295          3H        SER 295  -3.377  17.806  -1.717
  143    HA   SER 295           HA       SER 295  -4.441  16.895  -3.655
  144   1HB   SER 295          1HB       SER 295  -4.740  14.457  -3.854
  145   2HB   SER 295          2HB       SER 295  -3.033  14.898  -3.890
  146    HG   SER 295           HG       SER 295  -4.487  13.851  -1.691
  147    H    LEU 296           H        LEU 296  -4.490  15.991  -0.282
  148    HA   LEU 296           HA       LEU 296  -7.281  15.366  -0.192
  149   1HB   LEU 296          1HB       LEU 296  -5.384  16.087   2.044
  150   2HB   LEU 296          2HB       LEU 296  -6.989  15.415   2.251
  151    HG   LEU 296           HG       LEU 296  -4.704  14.000   0.872
  152   1HD1  LEU 296          1HD1      LEU 296  -4.644  12.593   2.884
  153   2HD1  LEU 296          2HD1      LEU 296  -5.828  13.654   3.648
  154   3HD1  LEU 296          3HD1      LEU 296  -4.230  14.272   3.233
  155   1HD2  LEU 296          1HD2      LEU 296  -7.421  13.018   1.738
  156   2HD2  LEU 296          2HD2      LEU 296  -6.143  12.034   1.025
  157   3HD2  LEU 296          3HD2      LEU 296  -6.907  13.308   0.076
  158    H    GLN 297           H        GLN 297  -5.698  18.214  -0.664
  159    HA   GLN 297           HA       GLN 297  -6.333  20.394  -0.671
  160   1HB   GLN 297          1HB       GLN 297  -8.493  19.364  -1.495
  161   2HB   GLN 297          2HB       GLN 297  -9.075  19.448   0.162
  162   1HG   GLN 297          1HG       GLN 297  -8.821  21.869   0.141
  163   2HG   GLN 297          2HG       GLN 297  -8.207  21.797  -1.510
  164   1HE2  GLN 297          1HE2      GLN 297  -9.624  21.292  -3.194
  165   2HE2  GLN 297          2HE2      GLN 297 -11.337  21.417  -3.014
  166    H    ASN 298           H        ASN 298  -6.752  22.182   0.731
  167    HA   ASN 298           HA       ASN 298  -6.592  23.313   2.692
  168   1HB   ASN 298          1HB       ASN 298  -8.018  20.903   3.840
  169   2HB   ASN 298          2HB       ASN 298  -7.859  22.475   4.620
  170   1HD2  ASN 298          1HD2      ASN 298  -8.207  23.906   2.080
  171   2HD2  ASN 298          2HD2      ASN 298  -9.893  23.815   1.719
  172    H    ASN 299           H        ASN 299  -4.443  23.413   3.071
  173    HA   ASN 299           HA       ASN 299  -2.455  23.075   4.115
  174   1HB   ASN 299          1HB       ASN 299  -3.822  22.904   6.156
  175   2HB   ASN 299          2HB       ASN 299  -4.028  21.179   5.872
  176   1HD2  ASN 299          1HD2      ASN 299  -1.062  22.939   5.281
  177   2HD2  ASN 299          2HD2      ASN 299  -0.142  22.188   6.535
  178    H    GLN 300           H        GLN 300  -0.658  21.778   3.902
  179    HA   GLN 300           HA       GLN 300  -0.937  19.558   2.111
  180   1HB   GLN 300          1HB       GLN 300   1.491  20.737   3.470
  181   2HB   GLN 300          2HB       GLN 300   1.551  19.457   2.266
  182   1HG   GLN 300          1HG       GLN 300   0.689  20.890   0.586
  183   2HG   GLN 300          2HG       GLN 300   0.352  22.162   1.758
  184   1HE2  GLN 300          1HE2      GLN 300   2.865  21.709   3.184
  185   2HE2  GLN 300          2HE2      GLN 300   4.105  22.392   2.193
  186    HA   PRO 301           HA       PRO 301  -1.223  16.483   5.331
  187   1HB   PRO 301          1HB       PRO 301  -0.701  14.493   3.256
  188   2HB   PRO 301          2HB       PRO 301  -2.170  14.765   4.196
  189   1HG   PRO 301          1HG       PRO 301  -2.012  15.319   1.555
  190   2HG   PRO 301          2HG       PRO 301  -3.031  16.250   2.667
  191   1HD   PRO 301          1HD       PRO 301  -0.334  16.926   1.549
  192   2HD   PRO 301          2HD       PRO 301  -1.754  17.970   1.779
  193    H    VAL 302           H        VAL 302   0.279  15.730   6.681
  194    HA   VAL 302           HA       VAL 302   3.052  15.733   5.958
  195    HB   VAL 302           HB       VAL 302   1.789  14.652   8.482
  196   1HG1  VAL 302          1HG1      VAL 302   4.587  15.627   7.920
  197   2HG1  VAL 302          2HG1      VAL 302   4.099  13.945   8.127
  198   3HG1  VAL 302          3HG1      VAL 302   3.977  15.071   9.478
  199   1HG2  VAL 302          1HG2      VAL 302   1.107  16.965   8.112
  200   2HG2  VAL 302          2HG2      VAL 302   2.792  17.436   7.894
  201   3HG2  VAL 302          3HG2      VAL 302   2.236  16.849   9.461
  202    H    GLU 303           H        GLU 303   0.568  13.302   6.473
  203    HA   GLU 303           HA       GLU 303   2.166  11.013   6.529
  204   1HB   GLU 303          1HB       GLU 303  -0.653  11.440   5.545
  205   2HB   GLU 303          2HB       GLU 303   0.099   9.853   5.634
  206   1HG   GLU 303          1HG       GLU 303  -1.229  10.151   7.580
  207   2HG   GLU 303          2HG       GLU 303   0.464  10.225   8.061
  208    H    PHE 304           H        PHE 304   1.268  13.116   3.942
  209    HA   PHE 304           HA       PHE 304   1.709  11.375   1.764
  210   1HB   PHE 304          1HB       PHE 304   0.551  13.599   1.638
  211   2HB   PHE 304          2HB       PHE 304   2.121  14.373   1.821
  212    HD1  PHE 304           HD1      PHE 304   0.134  12.154  -0.368
  213    HD2  PHE 304           HD2      PHE 304   3.550  14.668  -0.017
  214    HE1  PHE 304           HE1      PHE 304   0.474  12.025  -2.801
  215    HE2  PHE 304           HE2      PHE 304   3.896  14.545  -2.450
  216    HZ   PHE 304           HZ       PHE 304   2.357  13.222  -3.845
  217    H    ASN 305           H        ASN 305   3.810  13.651   3.483
  218    HA   ASN 305           HA       ASN 305   6.122  13.206   1.936
  219   1HB   ASN 305          1HB       ASN 305   5.856  14.088   4.822
  220   2HB   ASN 305          2HB       ASN 305   7.339  14.177   3.876
  221   1HD2  ASN 305          1HD2      ASN 305   7.490  15.672   2.193
  222   2HD2  ASN 305          2HD2      ASN 305   6.418  17.023   2.078
  223    H    HIS 306           H        HIS 306   5.032  11.808   5.022
  224    HA   HIS 306           HA       HIS 306   7.185  10.057   5.403
  225   1HB   HIS 306          1HB       HIS 306   4.311   9.976   6.302
  226   2HB   HIS 306          2HB       HIS 306   5.435   8.687   6.716
  227    HD1  HIS 306           HD1      HIS 306   4.461  12.133   7.621
  228    HD2  HIS 306           HD2      HIS 306   7.544   9.482   8.474
  229    HE1  HIS 306           HE1      HIS 306   5.628  13.084   9.635
  230    HE2  HIS 306           HE2      HIS 306   7.438  11.421  10.182
  231    H    ALA 307           H        ALA 307   4.344   9.843   3.396
  232    HA   ALA 307           HA       ALA 307   4.463   7.070   2.829
  233   1HB   ALA 307          1HB       ALA 307   3.290   9.301   1.166
  234   2HB   ALA 307          2HB       ALA 307   2.451   8.414   2.440
  235   3HB   ALA 307          3HB       ALA 307   2.963   7.578   0.973
  236    H    ILE 308           H        ILE 308   5.715   9.937   1.143
  237    HA   ILE 308           HA       ILE 308   6.835   8.613  -1.057
  238    HB   ILE 308           HB       ILE 308   7.614  11.194   0.300
  239   1HG1  ILE 308          1HG1      ILE 308   6.150  10.576  -2.277
  240   2HG1  ILE 308          2HG1      ILE 308   5.422  11.171  -0.789
  241   1HG2  ILE 308          1HG2      ILE 308   9.592  10.301  -0.800
  242   2HG2  ILE 308          2HG2      ILE 308   8.975  11.699  -1.678
  243   3HG2  ILE 308          3HG2      ILE 308   8.679  10.073  -2.291
  244   1HD1  ILE 308          1HD1      ILE 308   7.381  12.645  -2.532
  245   2HD1  ILE 308          2HD1      ILE 308   6.723  13.243  -1.009
  246   3HD1  ILE 308          3HD1      ILE 308   5.653  12.961  -2.383
  247    H    ASN 309           H        ASN 309   8.131   9.319   2.154
  248    HA   ASN 309           HA       ASN 309  10.759   8.405   1.666
  249   1HB   ASN 309          1HB       ASN 309   9.243   8.465   4.286
  250   2HB   ASN 309          2HB       ASN 309  10.990   8.348   4.102
  251   1HD2  ASN 309          1HD2      ASN 309  11.102  10.210   1.890
  252   2HD2  ASN 309          2HD2      ASN 309  10.843  11.783   2.559
  253    H    TYR 310           H        TYR 310   7.832   6.790   2.803
  254    HA   TYR 310           HA       TYR 310   9.030   4.319   3.462
  255   1HB   TYR 310          1HB       TYR 310   6.804   4.952   4.263
  256   2HB   TYR 310          2HB       TYR 310   6.188   4.928   2.615
  257    HD1  TYR 310           HD1      TYR 310   5.138   3.018   1.847
  258    HD2  TYR 310           HD2      TYR 310   7.877   2.689   5.087
  259    HE1  TYR 310           HE1      TYR 310   4.555   0.643   2.090
  260    HE2  TYR 310           HE2      TYR 310   7.300   0.312   5.339
  261    HH   TYR 310           HH       TYR 310   5.409  -1.193   4.794
  262    H    VAL 311           H        VAL 311   7.163   5.265   0.571
  263    HA   VAL 311           HA       VAL 311   7.527   2.908  -0.875
  264    HB   VAL 311           HB       VAL 311   7.236   5.706  -1.983
  265   1HG1  VAL 311          1HG1      VAL 311   6.317   4.594  -3.966
  266   2HG1  VAL 311          2HG1      VAL 311   6.678   3.025  -3.249
  267   3HG1  VAL 311          3HG1      VAL 311   7.991   4.123  -3.671
  268   1HG2  VAL 311          1HG2      VAL 311   5.144   3.652  -1.272
  269   2HG2  VAL 311          2HG2      VAL 311   4.837   5.183  -2.093
  270   3HG2  VAL 311          3HG2      VAL 311   5.441   5.176  -0.436
  271    H    ASN 312           H        ASN 312   9.538   5.797  -0.644
  272    HA   ASN 312           HA       ASN 312  11.374   5.067  -2.676
  273   1HB   ASN 312          1HB       ASN 312  11.172   7.378  -1.882
  274   2HB   ASN 312          2HB       ASN 312  11.752   6.894  -0.292
  275   1HD2  ASN 312          1HD2      ASN 312  13.015   5.634  -3.299
  276   2HD2  ASN 312          2HD2      ASN 312  14.571   6.376  -3.178
  277    H    LYS 313           H        LYS 313  11.130   4.389   0.751
  278    HA   LYS 313           HA       LYS 313  13.726   3.368   1.143
  279   1HB   LYS 313          1HB       LYS 313  12.199   3.975   2.989
  280   2HB   LYS 313          2HB       LYS 313  11.171   2.612   2.574
  281   1HG   LYS 313          1HG       LYS 313  12.999   1.073   3.091
  282   2HG   LYS 313          2HG       LYS 313  14.026   2.444   3.519
  283   1HD   LYS 313          1HD       LYS 313  12.440   3.057   5.294
  284   2HD   LYS 313          2HD       LYS 313  11.444   1.663   4.874
  285   1HE   LYS 313          1HE       LYS 313  13.317   0.175   5.417
  286   2HE   LYS 313          2HE       LYS 313  14.295   1.574   5.855
  287   1HZ   LYS 313          1HZ       LYS 313  13.323   0.507   7.798
  288   2HZ   LYS 313          2HZ       LYS 313  11.767   0.762   7.185
  289   3HZ   LYS 313          3HZ       LYS 313  12.731   2.082   7.616
  290    H    ILE 314           H        ILE 314  10.649   1.695   0.476
  291    HA   ILE 314           HA       ILE 314  11.745  -0.892   0.271
  292    HB   ILE 314           HB       ILE 314   9.258   0.244  -1.020
  293   1HG1  ILE 314          1HG1      ILE 314   9.575  -1.432   1.479
  294   2HG1  ILE 314          2HG1      ILE 314   9.331   0.311   1.470
  295   1HG2  ILE 314          1HG2      ILE 314   8.548  -2.151  -1.155
  296   2HG2  ILE 314          2HG2      ILE 314  10.203  -2.603  -0.744
  297   3HG2  ILE 314          3HG2      ILE 314   9.874  -1.717  -2.232
  298   1HD1  ILE 314          1HD1      ILE 314   7.402  -1.699   0.334
  299   2HD1  ILE 314          2HD1      ILE 314   7.154   0.041   0.481
  300   3HD1  ILE 314          3HD1      ILE 314   7.276  -0.959   1.929
  301    H    LYS 315           H        LYS 315  11.330   1.702  -2.052
  302    HA   LYS 315           HA       LYS 315  11.962   0.192  -4.370
  303   1HB   LYS 315          1HB       LYS 315  10.754   2.368  -4.387
  304   2HB   LYS 315          2HB       LYS 315  12.250   3.168  -3.924
  305   1HG   LYS 315          1HG       LYS 315  13.295   2.467  -5.998
  306   2HG   LYS 315          2HG       LYS 315  11.829   1.599  -6.458
  307   1HD   LYS 315          1HD       LYS 315  10.582   3.705  -6.465
  308   2HD   LYS 315          2HD       LYS 315  12.046   4.574  -5.996
  309   1HE   LYS 315          1HE       LYS 315  11.610   3.032  -8.551
  310   2HE   LYS 315          2HE       LYS 315  11.674   4.786  -8.382
  311   1HZ   LYS 315          1HZ       LYS 315  13.910   2.906  -7.845
  312   2HZ   LYS 315          2HZ       LYS 315  13.977   4.585  -7.651
  313   3HZ   LYS 315          3HZ       LYS 315  13.768   3.921  -9.192
  314    H    ASN 316           H        ASN 316  13.859   1.893  -1.982
  315    HA   ASN 316           HA       ASN 316  16.300   1.831  -3.493
  316   1HB   ASN 316          1HB       ASN 316  15.889   3.565  -1.799
  317   2HB   ASN 316          2HB       ASN 316  15.842   2.330  -0.544
  318   1HD2  ASN 316          1HD2      ASN 316  17.554   3.220   0.576
  319   2HD2  ASN 316          2HD2      ASN 316  19.182   3.136   0.005
  320    H    ARG 317           H        ARG 317  14.918  -0.052  -0.833
  321    HA   ARG 317           HA       ARG 317  17.172  -1.715  -0.428
  322   1HB   ARG 317          1HB       ARG 317  14.256  -2.220   0.193
  323   2HB   ARG 317          2HB       ARG 317  15.600  -3.171   0.809
  324   1HG   ARG 317          1HG       ARG 317  15.299  -0.224   1.317
  325   2HG   ARG 317          2HG       ARG 317  14.659  -1.470   2.390
  326   1HD   ARG 317          1HD       ARG 317  16.895  -2.360   2.724
  327   2HD   ARG 317          2HD       ARG 317  17.553  -1.174   1.597
  328    HE   ARG 317           HE       ARG 317  16.507   0.466   3.339
  329   1HH1  ARG 317          1HH1      ARG 317  18.170  -2.529   3.983
  330   2HH1  ARG 317          2HH1      ARG 317  18.767  -2.013   5.524
  331   1HH2  ARG 317          1HH2      ARG 317  17.294   1.152   5.363
  332   2HH2  ARG 317          2HH2      ARG 317  18.270   0.078   6.308
  333    H    PHE 318           H        PHE 318  14.363  -1.925  -2.526
  334    HA   PHE 318           HA       PHE 318  15.399  -4.454  -3.619
  335   1HB   PHE 318          1HB       PHE 318  12.609  -3.293  -3.662
  336   2HB   PHE 318          2HB       PHE 318  13.085  -4.737  -4.549
  337    HD1  PHE 318           HD1      PHE 318  13.379  -6.825  -3.449
  338    HD2  PHE 318           HD2      PHE 318  12.567  -3.305  -1.201
  339    HE1  PHE 318           HE1      PHE 318  12.921  -8.203  -1.463
  340    HE2  PHE 318           HE2      PHE 318  12.108  -4.676   0.789
  341    HZ   PHE 318           HZ       PHE 318  12.286  -7.128   0.660
  342    H    GLN 319           H        GLN 319  16.386  -1.787  -4.300
  343    HA   GLN 319           HA       GLN 319  15.372  -0.834  -6.724
  344   1HB   GLN 319          1HB       GLN 319  16.997   0.396  -5.338
  345   2HB   GLN 319          2HB       GLN 319  18.234  -0.784  -5.747
  346   1HG   GLN 319          1HG       GLN 319  18.058  -0.143  -8.103
  347   2HG   GLN 319          2HG       GLN 319  16.837   1.056  -7.676
  348   1HE2  GLN 319          1HE2      GLN 319  17.454   2.905  -6.542
  349   2HE2  GLN 319          2HE2      GLN 319  19.102   3.415  -6.453
  350    H    GLY 320           H        GLY 320  17.463  -3.535  -6.010
  351   1HA   GLY 320          1HA       GLY 320  18.167  -3.934  -8.803
  352   2HA   GLY 320          2HA       GLY 320  18.675  -4.929  -7.446
  353    H    GLN 321           H        GLN 321  15.695  -4.933  -6.650
  354    HA   GLN 321           HA       GLN 321  14.923  -7.104  -8.486
  355   1HB   GLN 321          1HB       GLN 321  14.149  -6.690  -5.593
  356   2HB   GLN 321          2HB       GLN 321  13.598  -8.011  -6.614
  357   1HG   GLN 321          1HG       GLN 321  16.457  -7.481  -5.830
  358   2HG   GLN 321          2HG       GLN 321  15.398  -8.690  -5.106
  359   1HE2  GLN 321          1HE2      GLN 321  17.943  -9.020  -6.497
  360   2HE2  GLN 321          2HE2      GLN 321  17.632 -10.097  -7.812
  361    HA   PRO 322           HA       PRO 322  11.768  -3.840  -9.238
  362   1HB   PRO 322          1HB       PRO 322  11.327  -4.483 -11.828
  363   2HB   PRO 322          2HB       PRO 322  12.681  -3.466 -11.320
  364   1HG   PRO 322          1HG       PRO 322  12.650  -6.389 -11.979
  365   2HG   PRO 322          2HG       PRO 322  13.824  -5.147 -12.457
  366   1HD   PRO 322          1HD       PRO 322  14.269  -6.870 -10.413
  367   2HD   PRO 322          2HD       PRO 322  14.913  -5.216 -10.428
  368    H    ASP 323           H        ASP 323  11.785  -7.282  -9.572
  369    HA   ASP 323           HA       ASP 323   9.079  -7.677 -10.292
  370   1HB   ASP 323          1HB       ASP 323  11.007  -9.483  -8.820
  371   2HB   ASP 323          2HB       ASP 323   9.434  -9.991  -9.429
  372    H    ILE 324           H        ILE 324  10.711  -7.318  -7.194
  373    HA   ILE 324           HA       ILE 324   8.445  -8.012  -5.606
  374    HB   ILE 324           HB       ILE 324  10.885  -6.415  -4.820
  375   1HG1  ILE 324          1HG1      ILE 324  11.479  -8.628  -5.700
  376   2HG1  ILE 324          2HG1      ILE 324  11.764  -8.544  -3.965
  377   1HG2  ILE 324          1HG2      ILE 324  10.324  -7.131  -2.531
  378   2HG2  ILE 324          2HG2      ILE 324   8.840  -7.862  -3.142
  379   3HG2  ILE 324          3HG2      ILE 324   9.071  -6.116  -3.246
  380   1HD1  ILE 324          1HD1      ILE 324  10.792 -10.671  -4.569
  381   2HD1  ILE 324          2HD1      ILE 324   9.421  -9.857  -5.323
  382   3HD1  ILE 324          3HD1      ILE 324   9.663  -9.747  -3.579
  383    H    TYR 325           H        TYR 325   9.802  -4.974  -6.792
  384    HA   TYR 325           HA       TYR 325   8.104  -3.266  -5.303
  385   1HB   TYR 325          1HB       TYR 325  10.249  -2.584  -6.418
  386   2HB   TYR 325          2HB       TYR 325   9.411  -2.670  -7.963
  387    HD1  TYR 325           HD1      TYR 325   8.204  -0.828  -8.760
  388    HD2  TYR 325           HD2      TYR 325   9.333  -0.961  -4.659
  389    HE1  TYR 325           HE1      TYR 325   7.447   1.494  -8.481
  390    HE2  TYR 325           HE2      TYR 325   8.576   1.363  -4.370
  391    HH   TYR 325           HH       TYR 325   6.733   3.004  -6.746
  392    H    LYS 326           H        LYS 326   7.948  -4.434  -8.663
  393    HA   LYS 326           HA       LYS 326   5.538  -3.161  -9.338
  394   1HB   LYS 326          1HB       LYS 326   6.748  -5.710 -10.424
  395   2HB   LYS 326          2HB       LYS 326   5.397  -4.858 -11.156
  396   1HG   LYS 326          1HG       LYS 326   8.131  -3.670 -10.740
  397   2HG   LYS 326          2HG       LYS 326   7.573  -4.407 -12.243
  398   1HD   LYS 326          1HD       LYS 326   5.804  -2.749 -12.422
  399   2HD   LYS 326          2HD       LYS 326   6.286  -2.041 -10.880
  400   1HE   LYS 326          1HE       LYS 326   7.145  -0.733 -12.748
  401   2HE   LYS 326          2HE       LYS 326   8.461  -1.456 -11.824
  402   1HZ   LYS 326          1HZ       LYS 326   8.824  -1.660 -14.204
  403   2HZ   LYS 326          2HZ       LYS 326   7.370  -2.508 -14.377
  404   3HZ   LYS 326          3HZ       LYS 326   8.644  -3.186 -13.495
  405    H    ALA 327           H        ALA 327   6.183  -6.418  -8.076
  406    HA   ALA 327           HA       ALA 327   3.538  -7.346  -8.088
  407   1HB   ALA 327          1HB       ALA 327   5.410  -8.855  -7.783
  408   2HB   ALA 327          2HB       ALA 327   4.307  -8.987  -6.413
  409   3HB   ALA 327          3HB       ALA 327   5.813  -8.085  -6.249
  410    H    PHE 328           H        PHE 328   5.379  -5.549  -5.673
  411    HA   PHE 328           HA       PHE 328   3.551  -5.630  -3.569
  412   1HB   PHE 328          1HB       PHE 328   5.880  -4.797  -3.388
  413   2HB   PHE 328          2HB       PHE 328   5.424  -3.368  -4.308
  414    HD1  PHE 328           HD1      PHE 328   4.235  -5.233  -1.296
  415    HD2  PHE 328           HD2      PHE 328   5.042  -1.465  -3.101
  416    HE1  PHE 328           HE1      PHE 328   3.606  -4.101   0.795
  417    HE2  PHE 328           HE2      PHE 328   4.412  -0.326  -1.014
  418    HZ   PHE 328           HZ       PHE 328   3.694  -1.644   0.938
  419    H    LEU 329           H        LEU 329   4.067  -2.873  -5.780
  420    HA   LEU 329           HA       LEU 329   1.784  -1.454  -5.083
  421   1HB   LEU 329          1HB       LEU 329   3.237  -1.556  -7.726
  422   2HB   LEU 329          2HB       LEU 329   2.000  -0.378  -7.330
  423    HG   LEU 329           HG       LEU 329   4.644  -0.685  -5.903
  424   1HD1  LEU 329          1HD1      LEU 329   4.898   0.226  -8.146
  425   2HD1  LEU 329          2HD1      LEU 329   5.188   1.465  -6.926
  426   3HD1  LEU 329          3HD1      LEU 329   3.661   1.435  -7.806
  427   1HD2  LEU 329          1HD2      LEU 329   2.909   0.088  -4.393
  428   2HD2  LEU 329          2HD2      LEU 329   2.422   1.325  -5.552
  429   3HD2  LEU 329          3HD2      LEU 329   4.008   1.411  -4.785
  430    H    GLU 330           H        GLU 330   2.172  -4.186  -7.213
  431    HA   GLU 330           HA       GLU 330  -0.272  -3.991  -8.600
  432   1HB   GLU 330          1HB       GLU 330   1.604  -5.480  -9.261
  433   2HB   GLU 330          2HB       GLU 330   1.256  -6.498  -7.870
  434   1HG   GLU 330          1HG       GLU 330  -0.943  -7.007  -8.773
  435   2HG   GLU 330          2HG       GLU 330  -0.629  -5.957 -10.154
  436    H    ILE 331           H        ILE 331   0.626  -5.617  -5.581
  437    HA   ILE 331           HA       ILE 331  -1.883  -6.801  -5.082
  438    HB   ILE 331           HB       ILE 331   0.228  -5.952  -3.091
  439   1HG1  ILE 331          1HG1      ILE 331  -0.295  -8.698  -4.242
  440   2HG1  ILE 331          2HG1      ILE 331   0.922  -7.599  -4.882
  441   1HG2  ILE 331          1HG2      ILE 331  -0.833  -7.580  -1.588
  442   2HG2  ILE 331          2HG2      ILE 331  -2.101  -7.844  -2.785
  443   3HG2  ILE 331          3HG2      ILE 331  -1.929  -6.266  -2.018
  444   1HD1  ILE 331          1HD1      ILE 331   0.845  -8.755  -2.106
  445   2HD1  ILE 331          2HD1      ILE 331   2.044  -7.607  -2.699
  446   3HD1  ILE 331          3HD1      ILE 331   1.939  -9.216  -3.411
  447    H    LEU 332           H        LEU 332  -0.428  -3.820  -3.732
  448    HA   LEU 332           HA       LEU 332  -2.632  -2.988  -2.261
  449   1HB   LEU 332          1HB       LEU 332  -0.449  -1.416  -3.610
  450   2HB   LEU 332          2HB       LEU 332  -1.674  -0.657  -2.610
  451    HG   LEU 332           HG       LEU 332  -0.849  -2.501  -0.875
  452   1HD1  LEU 332          1HD1      LEU 332   0.767  -3.569  -2.254
  453   2HD1  LEU 332          2HD1      LEU 332   1.629  -2.652  -1.020
  454   3HD1  LEU 332          3HD1      LEU 332   1.518  -2.026  -2.665
  455   1HD2  LEU 332          1HD2      LEU 332   0.595  -0.791   0.104
  456   2HD2  LEU 332          2HD2      LEU 332  -0.912  -0.094  -0.490
  457   3HD2  LEU 332          3HD2      LEU 332   0.576   0.101  -1.417
  458    H    HIS 333           H        HIS 333  -1.867  -2.414  -5.671
  459    HA   HIS 333           HA       HIS 333  -3.962  -0.623  -6.214
  460   1HB   HIS 333          1HB       HIS 333  -2.150  -2.325  -7.812
  461   2HB   HIS 333          2HB       HIS 333  -3.671  -1.903  -8.593
  462    HD1  HIS 333           HD1      HIS 333  -4.058   0.598  -9.161
  463    HD2  HIS 333           HD2      HIS 333  -0.340  -0.218  -7.495
  464    HE1  HIS 333           HE1      HIS 333  -2.676   2.661  -9.559
  465    HE2  HIS 333           HE2      HIS 333  -0.412   2.120  -8.597
  466    H    THR 334           H        THR 334  -3.787  -4.151  -6.336
  467    HA   THR 334           HA       THR 334  -6.385  -4.584  -7.356
  468    HB   THR 334           HB       THR 334  -4.840  -6.447  -5.540
  469    HG1  THR 334           HG1      THR 334  -4.748  -6.641  -8.341
  470   1HG2  THR 334          1HG2      THR 334  -6.070  -8.204  -6.662
  471   2HG2  THR 334          2HG2      THR 334  -6.852  -7.027  -7.716
  472   3HG2  THR 334          3HG2      THR 334  -7.206  -7.037  -5.989
  473    H    TYR 335           H        TYR 335  -5.112  -4.063  -4.138
  474    HA   TYR 335           HA       TYR 335  -7.361  -4.867  -2.647
  475   1HB   TYR 335          1HB       TYR 335  -5.172  -4.510  -1.600
  476   2HB   TYR 335          2HB       TYR 335  -5.248  -2.797  -1.997
  477    HD1  TYR 335           HD1      TYR 335  -6.502  -5.431   0.211
  478    HD2  TYR 335           HD2      TYR 335  -6.677  -1.287  -0.732
  479    HE1  TYR 335           HE1      TYR 335  -7.596  -4.993   2.367
  480    HE2  TYR 335           HE2      TYR 335  -7.774  -0.838   1.423
  481    HH   TYR 335           HH       TYR 335  -7.904  -3.112   3.930
  482    H    GLN 336           H        GLN 336  -6.312  -1.614  -3.650
  483    HA   GLN 336           HA       GLN 336  -8.627  -0.285  -2.753
  484   1HB   GLN 336          1HB       GLN 336  -6.499   0.866  -3.232
  485   2HB   GLN 336          2HB       GLN 336  -6.710   0.530  -4.945
  486   1HG   GLN 336          1HG       GLN 336  -7.323   2.825  -4.365
  487   2HG   GLN 336          2HG       GLN 336  -8.688   1.916  -5.011
  488   1HE2  GLN 336          1HE2      GLN 336  -7.310   3.425  -2.212
  489   2HE2  GLN 336          2HE2      GLN 336  -8.727   3.363  -1.224
  490    H    LYS 337           H        LYS 337  -7.899  -2.032  -5.673
  491    HA   LYS 337           HA       LYS 337  -9.916  -0.976  -7.329
  492   1HB   LYS 337          1HB       LYS 337  -8.082  -2.316  -8.212
  493   2HB   LYS 337          2HB       LYS 337  -8.666  -3.728  -7.341
  494   1HG   LYS 337          1HG       LYS 337 -10.713  -3.701  -8.678
  495   2HG   LYS 337          2HG       LYS 337 -10.119  -2.289  -9.553
  496   1HD   LYS 337          1HD       LYS 337  -8.200  -3.601 -10.344
  497   2HD   LYS 337          2HD       LYS 337  -8.821  -5.013  -9.487
  498   1HE   LYS 337          1HE       LYS 337 -10.207  -3.542 -11.727
  499   2HE   LYS 337          2HE       LYS 337  -9.388  -5.098 -11.861
  500   1HZ   LYS 337          1HZ       LYS 337 -10.986  -6.043 -10.329
  501   2HZ   LYS 337          2HZ       LYS 337 -11.790  -5.347 -11.644
  502   3HZ   LYS 337          3HZ       LYS 337 -11.758  -4.546 -10.155
  503    H    GLU 338           H        GLU 338  -9.887  -3.940  -5.343
  504    HA   GLU 338           HA       GLU 338 -12.633  -4.524  -5.816
  505   1HB   GLU 338          1HB       GLU 338 -10.535  -5.558  -3.950
  506   2HB   GLU 338          2HB       GLU 338 -12.217  -5.984  -3.667
  507   1HG   GLU 338          1HG       GLU 338 -10.940  -7.657  -4.982
  508   2HG   GLU 338          2HG       GLU 338 -12.385  -7.052  -5.787
  509    H    GLN 339           H        GLN 339 -10.901  -2.721  -3.360
  510    HA   GLN 339           HA       GLN 339 -13.028  -2.488  -1.509
  511   1HB   GLN 339          1HB       GLN 339 -10.713  -2.041  -0.873
  512   2HB   GLN 339          2HB       GLN 339 -10.651  -0.680  -1.984
  513   1HG   GLN 339          1HG       GLN 339 -12.376   0.459  -0.665
  514   2HG   GLN 339          2HG       GLN 339 -12.392  -0.897   0.462
  515   1HE2  GLN 339          1HE2      GLN 339 -11.784   0.414   2.182
  516   2HE2  GLN 339          2HE2      GLN 339 -10.178   1.026   2.350
  517    H    ARG 340           H        ARG 340 -12.021  -0.581  -4.288
  518    HA   ARG 340           HA       ARG 340 -13.849   1.559  -3.859
  519   1HB   ARG 340          1HB       ARG 340 -11.800   1.770  -5.236
  520   2HB   ARG 340          2HB       ARG 340 -12.506   0.682  -6.424
  521   1HG   ARG 340          1HG       ARG 340 -14.304   2.281  -6.829
  522   2HG   ARG 340          2HG       ARG 340 -13.601   3.373  -5.633
  523   1HD   ARG 340          1HD       ARG 340 -11.559   3.521  -6.982
  524   2HD   ARG 340          2HD       ARG 340 -12.276   2.442  -8.179
  525    HE   ARG 340           HE       ARG 340 -13.892   4.744  -7.674
  526   1HH1  ARG 340          1HH1      ARG 340 -11.123   3.579  -9.444
  527   2HH1  ARG 340          2HH1      ARG 340 -11.266   4.768 -10.697
  528   1HH2  ARG 340          1HH2      ARG 340 -14.085   6.307  -9.317
  529   2HH2  ARG 340          2HH2      ARG 340 -12.948   6.317 -10.625
  530    H    ASN 341           H        ASN 341 -13.873  -1.320  -5.934
  531    HA   ASN 341           HA       ASN 341 -16.369  -0.827  -7.142
  532   1HB   ASN 341          1HB       ASN 341 -14.990  -3.474  -6.628
  533   2HB   ASN 341          2HB       ASN 341 -16.330  -3.221  -7.740
  534   1HD2  ASN 341          1HD2      ASN 341 -13.633  -4.199  -8.253
  535   2HD2  ASN 341          2HD2      ASN 341 -12.955  -3.136  -9.433
  536    H    ALA 342           H        ALA 342 -15.443  -2.210  -4.085
  537    HA   ALA 342           HA       ALA 342 -17.983  -3.378  -3.484
  538   1HB   ALA 342          1HB       ALA 342 -15.933  -4.192  -2.435
  539   2HB   ALA 342          2HB       ALA 342 -17.093  -3.650  -1.223
  540   3HB   ALA 342          3HB       ALA 342 -15.714  -2.633  -1.639
  541    H    LYS 343           H        LYS 343 -16.377  -0.325  -2.726
  542    HA   LYS 343           HA       LYS 343 -18.341   0.668  -0.957
  543   1HB   LYS 343          1HB       LYS 343 -15.882   1.488  -1.607
  544   2HB   LYS 343          2HB       LYS 343 -16.793   2.558  -2.662
  545   1HG   LYS 343          1HG       LYS 343 -17.290   2.328   0.296
  546   2HG   LYS 343          2HG       LYS 343 -16.194   3.507  -0.426
  547   1HD   LYS 343          1HD       LYS 343 -18.069   4.399  -1.754
  548   2HD   LYS 343          2HD       LYS 343 -19.151   3.251  -0.962
  549   1HE   LYS 343          1HE       LYS 343 -18.627   4.261   1.207
  550   2HE   LYS 343          2HE       LYS 343 -17.558   5.414   0.408
  551   1HZ   LYS 343          1HZ       LYS 343 -19.455   6.288  -0.800
  552   2HZ   LYS 343          2HZ       LYS 343 -19.727   6.375   0.867
  553   3HZ   LYS 343          3HZ       LYS 343 -20.482   5.172  -0.050
  554    H    GLU 344           H        GLU 344 -17.944   0.845  -4.453
  555    HA   GLU 344           HA       GLU 344 -20.067   2.683  -4.911
  556   1HB   GLU 344          1HB       GLU 344 -18.118   2.063  -6.473
  557   2HB   GLU 344          2HB       GLU 344 -19.076   0.655  -6.908
  558   1HG   GLU 344          1HG       GLU 344 -20.007   3.504  -7.185
  559   2HG   GLU 344          2HG       GLU 344 -19.290   2.553  -8.483
  560    H    ALA 345           H        ALA 345 -19.811  -0.851  -5.234
  561    HA   ALA 345           HA       ALA 345 -22.509  -1.265  -5.962
  562   1HB   ALA 345          1HB       ALA 345 -20.595  -3.199  -4.656
  563   2HB   ALA 345          2HB       ALA 345 -20.743  -2.912  -6.390
  564   3HB   ALA 345          3HB       ALA 345 -22.090  -3.616  -5.495
  565    H    GLY 346           H        GLY 346 -21.054  -0.497  -2.980
  566   1HA   GLY 346          1HA       GLY 346 -22.388   0.185  -1.122
  567   2HA   GLY 346          2HA       GLY 346 -23.623  -0.957  -1.631
  568    H    GLY 347           H        GLY 347 -23.681  -2.922  -0.715
  569   1HA   GLY 347          1HA       GLY 347 -21.310  -3.842   0.766
  570   2HA   GLY 347          2HA       GLY 347 -22.860  -3.750   1.584
  571    H    ASN 348           H        ASN 348 -23.145  -4.581  -1.686
  572    HA   ASN 348           HA       ASN 348 -23.686  -7.361  -0.934
  573   1HB   ASN 348          1HB       ASN 348 -24.467  -5.876  -3.453
  574   2HB   ASN 348          2HB       ASN 348 -24.997  -7.488  -2.988
  575   1HD2  ASN 348          1HD2      ASN 348 -26.511  -7.727  -1.350
  576   2HD2  ASN 348          2HD2      ASN 348 -27.467  -6.405  -0.781
  577    H    TYR 349           H        TYR 349 -21.156  -5.673  -2.047
  578    HA   TYR 349           HA       TYR 349 -20.343  -7.430  -4.203
  579   1HB   TYR 349          1HB       TYR 349 -19.803  -4.996  -4.211
  580   2HB   TYR 349          2HB       TYR 349 -18.767  -5.252  -2.812
  581    HD1  TYR 349           HD1      TYR 349 -16.567  -6.140  -3.055
  582    HD2  TYR 349           HD2      TYR 349 -19.192  -6.005  -6.400
  583    HE1  TYR 349           HE1      TYR 349 -14.684  -6.672  -4.545
  584    HE2  TYR 349           HE2      TYR 349 -17.318  -6.536  -7.899
  585    HH   TYR 349           HH       TYR 349 -14.353  -7.687  -6.800
  586    H    THR 350           H        THR 350 -18.499  -8.779  -4.155
  587    HA   THR 350           HA       THR 350 -17.760  -9.680  -1.448
  588    HB   THR 350           HB       THR 350 -18.921 -11.467  -2.455
  589    HG1  THR 350           HG1      THR 350 -17.199 -13.014  -2.798
  590   1HG2  THR 350          1HG2      THR 350 -17.274 -10.938  -4.926
  591   2HG2  THR 350          2HG2      THR 350 -19.012 -10.714  -4.737
  592   3HG2  THR 350          3HG2      THR 350 -18.326 -12.337  -4.713
  593    HA   PRO 351           HA       PRO 351 -13.830  -8.173  -3.314
  594   1HB   PRO 351          1HB       PRO 351 -12.922  -6.863  -1.150
  595   2HB   PRO 351          2HB       PRO 351 -14.115  -6.147  -2.242
  596   1HG   PRO 351          1HG       PRO 351 -14.524  -7.453   0.417
  597   2HG   PRO 351          2HG       PRO 351 -15.281  -5.991  -0.243
  598   1HD   PRO 351          1HD       PRO 351 -16.473  -8.466  -0.212
  599   2HD   PRO 351          2HD       PRO 351 -16.872  -7.187  -1.374
  600    H    ALA 352           H        ALA 352 -12.531  -9.907  -3.471
  601    HA   ALA 352           HA       ALA 352 -12.011 -11.691  -1.306
  602   1HB   ALA 352          1HB       ALA 352 -10.491 -12.808  -2.843
  603   2HB   ALA 352          2HB       ALA 352 -10.595 -11.445  -3.958
  604   3HB   ALA 352          3HB       ALA 352 -12.019 -12.437  -3.641
  605    H    LEU 353           H        LEU 353 -10.506  -8.817  -2.517
  606    HA   LEU 353           HA       LEU 353  -8.013  -9.289  -1.114
  607   1HB   LEU 353          1HB       LEU 353  -9.067  -7.155  -2.916
  608   2HB   LEU 353          2HB       LEU 353  -7.718  -6.775  -1.863
  609    HG   LEU 353           HG       LEU 353  -6.958  -7.408  -4.097
  610   1HD1  LEU 353          1HD1      LEU 353  -6.277  -9.475  -2.013
  611   2HD1  LEU 353          2HD1      LEU 353  -5.524  -7.890  -2.185
  612   3HD1  LEU 353          3HD1      LEU 353  -5.329  -9.100  -3.454
  613   1HD2  LEU 353          1HD2      LEU 353  -8.251 -10.069  -3.519
  614   2HD2  LEU 353          2HD2      LEU 353  -7.238  -9.693  -4.912
  615   3HD2  LEU 353          3HD2      LEU 353  -8.794  -8.889  -4.711
  616    H    THR 354           H        THR 354  -7.933  -9.030   1.002
  617    HA   THR 354           HA       THR 354  -9.267  -6.692   2.190
  618    HB   THR 354           HB       THR 354  -9.752  -8.028   4.215
  619    HG1  THR 354           HG1      THR 354  -8.411  -9.749   4.168
  620   1HG2  THR 354          1HG2      THR 354 -10.941  -9.162   1.680
  621   2HG2  THR 354          2HG2      THR 354 -11.498  -7.722   2.530
  622   3HG2  THR 354          3HG2      THR 354 -11.634  -9.305   3.296
  623    H    GLU 355           H        GLU 355  -8.394  -6.471   4.579
  624    HA   GLU 355           HA       GLU 355  -5.699  -5.770   4.418
  625   1HB   GLU 355          1HB       GLU 355  -7.296  -6.372   6.916
  626   2HB   GLU 355          2HB       GLU 355  -5.808  -5.440   6.841
  627   1HG   GLU 355          1HG       GLU 355  -6.914  -3.738   5.510
  628   2HG   GLU 355          2HG       GLU 355  -8.402  -4.684   5.514
  629    H    GLN 356           H        GLN 356  -7.239  -8.747   5.411
  630    HA   GLN 356           HA       GLN 356  -4.920  -9.916   6.591
  631   1HB   GLN 356          1HB       GLN 356  -7.404 -11.256   5.503
  632   2HB   GLN 356          2HB       GLN 356  -6.206 -12.002   6.555
  633   1HG   GLN 356          1HG       GLN 356  -6.762 -10.358   8.303
  634   2HG   GLN 356          2HG       GLN 356  -8.011  -9.696   7.252
  635   1HE2  GLN 356          1HE2      GLN 356  -8.723 -12.336   6.206
  636   2HE2  GLN 356          2HE2      GLN 356  -9.624 -13.114   7.457
  637    H    GLU 357           H        GLU 357  -6.477 -10.171   3.413
  638    HA   GLU 357           HA       GLU 357  -4.783 -12.113   2.312
  639   1HB   GLU 357          1HB       GLU 357  -7.000 -10.949   1.428
  640   2HB   GLU 357          2HB       GLU 357  -5.849  -9.922   0.585
  641   1HG   GLU 357          1HG       GLU 357  -6.087 -12.914   0.361
  642   2HG   GLU 357          2HG       GLU 357  -6.565 -11.722  -0.846
  643    H    VAL 358           H        VAL 358  -4.634  -8.563   2.073
  644    HA   VAL 358           HA       VAL 358  -2.277  -8.373   0.601
  645    HB   VAL 358           HB       VAL 358  -3.326  -6.460   2.696
  646   1HG1  VAL 358          1HG1      VAL 358  -2.011  -4.776   1.367
  647   2HG1  VAL 358          2HG1      VAL 358  -1.205  -6.139   0.588
  648   3HG1  VAL 358          3HG1      VAL 358  -1.054  -5.902   2.331
  649   1HG2  VAL 358          1HG2      VAL 358  -3.674  -6.523  -0.292
  650   2HG2  VAL 358          2HG2      VAL 358  -4.214  -5.226   0.776
  651   3HG2  VAL 358          3HG2      VAL 358  -4.923  -6.836   0.916
  652    H    TYR 359           H        TYR 359  -2.687  -8.110   4.137
  653    HA   TYR 359           HA       TYR 359  -0.044  -7.882   4.863
  654   1HB   TYR 359          1HB       TYR 359  -1.917  -7.679   6.443
  655   2HB   TYR 359          2HB       TYR 359  -2.205  -9.412   6.330
  656    HD1  TYR 359           HD1      TYR 359   0.316  -6.893   7.382
  657    HD2  TYR 359           HD2      TYR 359  -1.054 -10.907   7.729
  658    HE1  TYR 359           HE1      TYR 359   1.892  -7.264   9.233
  659    HE2  TYR 359           HE2      TYR 359   0.519 -11.289   9.580
  660    HH   TYR 359           HH       TYR 359   2.188  -8.744  11.131
  661    H    ALA 360           H        ALA 360  -1.838 -10.795   4.016
  662    HA   ALA 360           HA       ALA 360   0.091 -12.676   4.840
  663   1HB   ALA 360          1HB       ALA 360  -1.109 -14.266   3.458
  664   2HB   ALA 360          2HB       ALA 360  -1.951 -12.949   2.640
  665   3HB   ALA 360          3HB       ALA 360  -2.243 -13.253   4.353
  666    H    GLN 361           H        GLN 361  -0.680 -11.717   1.475
  667    HA   GLN 361           HA       GLN 361   1.551 -12.903   0.303
  668   1HB   GLN 361          1HB       GLN 361   0.062 -10.440  -0.618
  669   2HB   GLN 361          2HB       GLN 361   1.103 -11.445  -1.617
  670   1HG   GLN 361          1HG       GLN 361  -1.308 -12.547  -0.220
  671   2HG   GLN 361          2HG       GLN 361  -1.407 -11.791  -1.806
  672   1HE2  GLN 361          1HE2      GLN 361   1.224 -12.771  -2.612
  673   2HE2  GLN 361          2HE2      GLN 361   1.027 -14.455  -2.944
  674    H    VAL 362           H        VAL 362   1.101  -9.500   1.247
  675    HA   VAL 362           HA       VAL 362   3.598  -8.543   0.522
  676    HB   VAL 362           HB       VAL 362   1.885  -7.649   2.851
  677   1HG1  VAL 362          1HG1      VAL 362   4.065  -6.157   1.393
  678   2HG1  VAL 362          2HG1      VAL 362   4.208  -6.846   3.009
  679   3HG1  VAL 362          3HG1      VAL 362   3.068  -5.534   2.707
  680   1HG2  VAL 362          1HG2      VAL 362   1.043  -5.955   1.296
  681   2HG2  VAL 362          2HG2      VAL 362   0.699  -7.585   0.717
  682   3HG2  VAL 362          3HG2      VAL 362   2.017  -6.656   0.005
  683    H    ALA 363           H        ALA 363   2.610 -10.275   3.434
  684    HA   ALA 363           HA       ALA 363   5.008  -9.866   4.891
  685   1HB   ALA 363          1HB       ALA 363   4.260 -11.785   6.258
  686   2HB   ALA 363          2HB       ALA 363   2.964 -12.075   5.097
  687   3HB   ALA 363          3HB       ALA 363   2.996 -10.577   6.026
  688    H    ARG 364           H        ARG 364   3.919 -12.407   2.681
  689    HA   ARG 364           HA       ARG 364   6.108 -14.135   2.984
  690   1HB   ARG 364          1HB       ARG 364   3.975 -14.717   1.838
  691   2HB   ARG 364          2HB       ARG 364   4.442 -13.683   0.497
  692   1HG   ARG 364          1HG       ARG 364   6.286 -15.867   1.330
  693   2HG   ARG 364          2HG       ARG 364   4.830 -16.275   0.423
  694   1HD   ARG 364          1HD       ARG 364   5.493 -14.729  -1.348
  695   2HD   ARG 364          2HD       ARG 364   6.941 -14.298  -0.437
  696    HE   ARG 364           HE       ARG 364   6.876 -17.083  -0.832
  697   1HH1  ARG 364          1HH1      ARG 364   7.349 -14.118  -2.605
  698   2HH1  ARG 364          2HH1      ARG 364   8.381 -14.843  -3.792
  699   1HH2  ARG 364          1HH2      ARG 364   8.231 -18.045  -2.392
  700   2HH2  ARG 364          2HH2      ARG 364   8.881 -17.076  -3.673
  701    H    LEU 365           H        LEU 365   5.620 -11.266   1.026
  702    HA   LEU 365           HA       LEU 365   7.934 -11.525  -0.581
  703   1HB   LEU 365          1HB       LEU 365   6.423  -9.046   0.253
  704   2HB   LEU 365          2HB       LEU 365   7.640  -9.103  -1.008
  705    HG   LEU 365           HG       LEU 365   5.011 -10.588  -1.060
  706   1HD1  LEU 365          1HD1      LEU 365   5.913  -8.138  -2.567
  707   2HD1  LEU 365          2HD1      LEU 365   4.714  -8.179  -1.274
  708   3HD1  LEU 365          3HD1      LEU 365   4.390  -8.996  -2.803
  709   1HD2  LEU 365          1HD2      LEU 365   6.743 -11.777  -2.276
  710   2HD2  LEU 365          2HD2      LEU 365   7.176 -10.302  -3.141
  711   3HD2  LEU 365          3HD2      LEU 365   5.598 -11.046  -3.403
  712    H    PHE 366           H        PHE 366   7.336  -9.922   2.523
  713    HA   PHE 366           HA       PHE 366  10.187  -9.266   2.716
  714   1HB   PHE 366          1HB       PHE 366   7.919  -8.396   4.522
  715   2HB   PHE 366          2HB       PHE 366   9.576  -7.807   4.569
  716    HD1  PHE 366           HD1      PHE 366   6.503  -6.750   3.803
  717    HD2  PHE 366           HD2      PHE 366  10.280  -7.188   1.893
  718    HE1  PHE 366           HE1      PHE 366   5.905  -4.966   2.218
  719    HE2  PHE 366           HE2      PHE 366   9.690  -5.404   0.305
  720    HZ   PHE 366           HZ       PHE 366   7.499  -4.291   0.466
  721    H    LYS 367           H        LYS 367  11.173 -11.141   3.305
  722    HA   LYS 367           HA       LYS 367  10.123 -12.642   5.585
  723   1HB   LYS 367          1HB       LYS 367  10.767 -13.876   3.539
  724   2HB   LYS 367          2HB       LYS 367  12.415 -13.294   3.724
  725   1HG   LYS 367          1HG       LYS 367  12.562 -14.474   5.883
  726   2HG   LYS 367          2HG       LYS 367  10.934 -15.105   5.621
  727   1HD   LYS 367          1HD       LYS 367  13.239 -15.554   3.730
  728   2HD   LYS 367          2HD       LYS 367  12.779 -16.683   5.006
  729   1HE   LYS 367          1HE       LYS 367  10.985 -15.768   2.760
  730   2HE   LYS 367          2HE       LYS 367  11.857 -17.300   2.802
  731   1HZ   LYS 367          1HZ       LYS 367   9.545 -17.534   3.504
  732   2HZ   LYS 367          2HZ       LYS 367   9.804 -16.445   4.773
  733   3HZ   LYS 367          3HZ       LYS 367  10.611 -17.933   4.757
  734    H    ASN 368           H        ASN 368  12.527 -10.350   4.795
  735    HA   ASN 368           HA       ASN 368  13.802 -10.778   7.414
  736   1HB   ASN 368          1HB       ASN 368  15.893  -9.834   6.389
  737   2HB   ASN 368          2HB       ASN 368  15.415 -11.406   5.755
  738   1HD2  ASN 368          1HD2      ASN 368  15.718  -8.015   5.092
  739   2HD2  ASN 368          2HD2      ASN 368  15.504  -8.122   3.381
  740    H    GLN 369           H        GLN 369  11.816  -8.803   5.749
  741    HA   GLN 369           HA       GLN 369  12.793  -6.397   7.144
  742   1HB   GLN 369          1HB       GLN 369  11.277  -6.616   4.540
  743   2HB   GLN 369          2HB       GLN 369  11.537  -5.101   5.395
  744   1HG   GLN 369          1HG       GLN 369  13.731  -6.897   4.389
  745   2HG   GLN 369          2HG       GLN 369  13.119  -5.480   3.537
  746   1HE2  GLN 369          1HE2      GLN 369  14.965  -6.629   6.241
  747   2HE2  GLN 369          2HE2      GLN 369  15.665  -5.112   6.673
  748    H    GLU 370           H        GLU 370  11.605  -7.108   9.015
  749    HA   GLU 370           HA       GLU 370   8.751  -7.387   8.889
  750   1HB   GLU 370          1HB       GLU 370  10.635  -7.111  11.234
  751   2HB   GLU 370          2HB       GLU 370   8.908  -7.408  11.385
  752   1HG   GLU 370          1HG       GLU 370   9.980  -9.491  11.633
  753   2HG   GLU 370          2HG       GLU 370   9.248  -9.490  10.029
  754    H    ASP 371           H        ASP 371  10.964  -4.776   9.292
  755    HA   ASP 371           HA       ASP 371   9.373  -2.962  10.722
  756   1HB   ASP 371          1HB       ASP 371  10.828  -1.220   9.778
  757   2HB   ASP 371          2HB       ASP 371  11.763  -2.600  10.344
  758    H    LEU 372           H        LEU 372   9.671  -3.528   7.235
  759    HA   LEU 372           HA       LEU 372   7.995  -1.463   6.369
  760   1HB   LEU 372          1HB       LEU 372   8.450  -4.165   5.100
  761   2HB   LEU 372          2HB       LEU 372   7.768  -2.763   4.296
  762    HG   LEU 372           HG       LEU 372  10.570  -2.901   5.412
  763   1HD1  LEU 372          1HD1      LEU 372   9.591  -3.133   2.571
  764   2HD1  LEU 372          2HD1      LEU 372  10.316  -4.421   3.535
  765   3HD1  LEU 372          3HD1      LEU 372  11.278  -3.017   3.071
  766   1HD2  LEU 372          1HD2      LEU 372   9.693  -0.643   5.376
  767   2HD2  LEU 372          2HD2      LEU 372   9.184  -0.843   3.699
  768   3HD2  LEU 372          3HD2      LEU 372  10.900  -0.843   4.107
  769    H    LEU 373           H        LEU 373   7.249  -4.854   7.125
  770    HA   LEU 373           HA       LEU 373   4.526  -4.793   6.505
  771   1HB   LEU 373          1HB       LEU 373   6.074  -6.424   8.513
  772   2HB   LEU 373          2HB       LEU 373   4.371  -6.686   8.188
  773    HG   LEU 373           HG       LEU 373   6.552  -6.904   6.111
  774   1HD1  LEU 373          1HD1      LEU 373   6.243  -9.315   6.296
  775   2HD1  LEU 373          2HD1      LEU 373   5.099  -9.076   7.617
  776   3HD1  LEU 373          3HD1      LEU 373   6.793  -8.627   7.825
  777   1HD2  LEU 373          1HD2      LEU 373   3.640  -7.692   6.053
  778   2HD2  LEU 373          2HD2      LEU 373   4.816  -7.981   4.770
  779   3HD2  LEU 373          3HD2      LEU 373   4.363  -6.329   5.197
  780    H    SER 374           H        SER 374   6.232  -4.000   9.496
  781    HA   SER 374           HA       SER 374   4.007  -3.603  11.142
  782   1HB   SER 374          1HB       SER 374   6.696  -2.210  11.225
  783   2HB   SER 374          2HB       SER 374   5.519  -2.234  12.538
  784    HG   SER 374           HG       SER 374   7.356  -3.881  12.418
  785    H    GLU 375           H        GLU 375   5.740  -1.370   9.008
  786    HA   GLU 375           HA       GLU 375   4.344   0.963   9.663
  787   1HB   GLU 375          1HB       GLU 375   5.612   0.143   7.046
  788   2HB   GLU 375          2HB       GLU 375   5.051   1.769   7.411
  789   1HG   GLU 375          1HG       GLU 375   7.188   0.291   8.931
  790   2HG   GLU 375          2HG       GLU 375   7.475   1.510   7.690
  791    H    PHE 376           H        PHE 376   3.736  -1.386   7.048
  792    HA   PHE 376           HA       PHE 376   1.450  -0.161   6.002
  793   1HB   PHE 376          1HB       PHE 376   2.739  -2.065   4.963
  794   2HB   PHE 376          2HB       PHE 376   1.948  -3.142   6.108
  795    HD1  PHE 376           HD1      PHE 376  -0.090  -4.111   5.567
  796    HD2  PHE 376           HD2      PHE 376   1.201  -0.648   3.453
  797    HE1  PHE 376           HE1      PHE 376  -1.995  -4.348   4.020
  798    HE2  PHE 376           HE2      PHE 376  -0.698  -0.879   1.907
  799    HZ   PHE 376           HZ       PHE 376  -2.298  -2.730   2.190
  800    H    GLY 377           H        GLY 377   1.890  -2.272   8.759
  801   1HA   GLY 377          1HA       GLY 377  -0.869  -2.839   9.192
  802   2HA   GLY 377          2HA       GLY 377   0.430  -3.048  10.358
  803    H    GLN 378           H        GLN 378   1.294  -0.291  10.299
  804    HA   GLN 378           HA       GLN 378  -0.289   0.764  12.346
  805   1HB   GLN 378          1HB       GLN 378   1.661   2.122  10.481
  806   2HB   GLN 378          2HB       GLN 378   0.935   2.913  11.875
  807   1HG   GLN 378          1HG       GLN 378   2.533   0.380  12.089
  808   2HG   GLN 378          2HG       GLN 378   3.257   1.984  12.190
  809   1HE2  GLN 378          1HE2      GLN 378   3.932   1.684  14.298
  810   2HE2  GLN 378          2HE2      GLN 378   2.834   1.666  15.633
  811    H    PHE 379           H        PHE 379  -0.216   1.551   8.884
  812    HA   PHE 379           HA       PHE 379  -2.137   3.600   8.956
  813   1HB   PHE 379          1HB       PHE 379  -1.425   1.702   6.709
  814   2HB   PHE 379          2HB       PHE 379  -2.388   3.165   6.524
  815    HD1  PHE 379           HD1      PHE 379  -1.277   5.379   7.227
  816    HD2  PHE 379           HD2      PHE 379   0.873   1.785   6.483
  817    HE1  PHE 379           HE1      PHE 379   0.776   6.687   6.872
  818    HE2  PHE 379           HE2      PHE 379   2.932   3.085   6.129
  819    HZ   PHE 379           HZ       PHE 379   2.886   5.539   6.323
  820    H    LEU 380           H        LEU 380  -2.427   0.141   9.003
  821    HA   LEU 380           HA       LEU 380  -5.225   0.127   8.309
  822   1HB   LEU 380          1HB       LEU 380  -3.480  -2.057   9.448
  823   2HB   LEU 380          2HB       LEU 380  -5.108  -2.275   8.837
  824    HG   LEU 380           HG       LEU 380  -2.796  -1.328   7.149
  825   1HD1  LEU 380          1HD1      LEU 380  -2.396  -3.597   7.956
  826   2HD1  LEU 380          2HD1      LEU 380  -2.751  -3.585   6.229
  827   3HD1  LEU 380          3HD1      LEU 380  -3.989  -4.087   7.380
  828   1HD2  LEU 380          1HD2      LEU 380  -4.999  -0.652   6.337
  829   2HD2  LEU 380          2HD2      LEU 380  -5.545  -2.327   6.414
  830   3HD2  LEU 380          3HD2      LEU 380  -4.273  -1.865   5.283
  831    HA   PRO 381           HA       PRO 381  -6.697   1.048  12.410
  832   1HB   PRO 381          1HB       PRO 381  -9.156  -0.372  11.605
  833   2HB   PRO 381          2HB       PRO 381  -8.942   1.308  12.105
  834   1HG   PRO 381          1HG       PRO 381  -9.455   0.666   9.556
  835   2HG   PRO 381          2HG       PRO 381  -8.378   2.011   9.977
  836   1HD   PRO 381          1HD       PRO 381  -7.688  -0.758   9.070
  837   2HD   PRO 381          2HD       PRO 381  -6.951   0.793   8.616
  838    H    ASP 382           H        ASP 382  -6.015  -0.087  14.104
  839    HA   ASP 382           HA       ASP 382  -5.645  -1.779  15.578
  840   1HB   ASP 382          1HB       ASP 382  -8.186  -2.900  14.378
  841   2HB   ASP 382          2HB       ASP 382  -7.462  -3.401  15.902
  842    H    ALA 383           H        ALA 383  -4.752  -1.979  12.678
  843    HA   ALA 383           HA       ALA 383  -3.590  -3.414  11.352
  844   1HB   ALA 383          1HB       ALA 383  -2.272  -3.719  13.389
  845   2HB   ALA 383          2HB       ALA 383  -2.356  -5.210  12.450
  846   3HB   ALA 383          3HB       ALA 383  -3.349  -5.020  13.895
  Start of MODEL   11
    1   1H    ARG   6          1H        ARG   6 -10.196   6.933   2.667
    2   2H    ARG   6          2H        ARG   6  -8.546   6.628   2.458
    3   3H    ARG   6          3H        ARG   6  -9.053   8.048   3.225
    4    HA   ARG   6           HA       ARG   6  -9.949   6.802   5.061
    5   1HB   ARG   6          1HB       ARG   6  -8.777   4.380   3.677
    6   2HB   ARG   6          2HB       ARG   6  -9.642   4.401   5.208
    7   1HG   ARG   6          1HG       ARG   6 -11.680   5.085   4.060
    8   2HG   ARG   6          2HG       ARG   6 -10.815   5.088   2.521
    9   1HD   ARG   6          1HD       ARG   6 -12.086   3.035   2.772
   10   2HD   ARG   6          2HD       ARG   6 -10.355   2.693   2.790
   11    HE   ARG   6           HE       ARG   6 -11.241   3.021   5.430
   12   1HH1  ARG   6          1HH1      ARG   6 -11.557   0.798   2.763
   13   2HH1  ARG   6          2HH1      ARG   6 -11.822  -0.580   3.778
   14   1HH2  ARG   6          1HH2      ARG   6 -11.586   1.212   6.770
   15   2HH2  ARG   6          2HH2      ARG   6 -11.840  -0.346   6.054
   16    H    MET   7           H        MET   7  -7.191   7.542   3.495
   17    HA   MET   7           HA       MET   7  -5.011   7.837   4.058
   18   1HB   MET   7          1HB       MET   7  -6.256   9.111   5.879
   19   2HB   MET   7          2HB       MET   7  -5.943   7.731   6.922
   20   1HG   MET   7          1HG       MET   7  -3.502   8.044   6.413
   21   2HG   MET   7          2HG       MET   7  -3.942   9.566   5.642
   22   1HE   MET   7          1HE       MET   7  -4.515   8.642  10.127
   23   2HE   MET   7          2HE       MET   7  -3.758   7.540   8.977
   24   3HE   MET   7          3HE       MET   7  -5.486   7.879   8.868
   25    H    ASN   8           H        ASN   8  -4.421   5.750   3.290
   26    HA   ASN   8           HA       ASN   8  -2.948   4.227   5.145
   27   1HB   ASN   8          1HB       ASN   8  -4.337   2.050   4.602
   28   2HB   ASN   8          2HB       ASN   8  -4.775   3.088   5.953
   29   1HD2  ASN   8          1HD2      ASN   8  -5.339   4.013   2.635
   30   2HD2  ASN   8          2HD2      ASN   8  -7.059   3.869   2.686
   31    H    ILE   9           H        ILE   9  -4.622   2.538   2.584
   32    HA   ILE   9           HA       ILE   9  -2.140   2.031   1.236
   33    HB   ILE   9           HB       ILE   9  -4.985   1.214   0.683
   34   1HG1  ILE   9          1HG1      ILE   9  -3.904  -1.076   1.000
   35   2HG1  ILE   9          2HG1      ILE   9  -2.482  -0.214   1.576
   36   1HG2  ILE   9          1HG2      ILE   9  -2.557   0.614  -0.999
   37   2HG2  ILE   9          2HG2      ILE   9  -3.984   1.529  -1.487
   38   3HG2  ILE   9          3HG2      ILE   9  -4.117  -0.197  -1.149
   39   1HD1  ILE   9          1HD1      ILE   9  -5.228  -0.024   2.788
   40   2HD1  ILE   9          2HD1      ILE   9  -3.756   0.737   3.391
   41   3HD1  ILE   9          3HD1      ILE   9  -3.905  -1.020   3.396
   42    H    GLN  10           H        GLN  10  -5.009   3.991   0.640
   43    HA   GLN  10           HA       GLN  10  -4.482   4.735  -2.004
   44   1HB   GLN  10          1HB       GLN  10  -6.625   5.155  -0.862
   45   2HB   GLN  10          2HB       GLN  10  -5.842   6.355   0.158
   46   1HG   GLN  10          1HG       GLN  10  -5.375   7.733  -1.783
   47   2HG   GLN  10          2HG       GLN  10  -6.095   6.518  -2.837
   48   1HE2  GLN  10          1HE2      GLN  10  -6.695   8.997  -0.485
   49   2HE2  GLN  10          2HE2      GLN  10  -8.398   9.118  -0.743
   50    H    MET  11           H        MET  11  -3.265   5.995   1.040
   51    HA   MET  11           HA       MET  11  -2.074   8.342  -0.003
   52   1HB   MET  11          1HB       MET  11  -2.522   8.114   2.372
   53   2HB   MET  11          2HB       MET  11  -1.431   6.739   2.478
   54   1HG   MET  11          1HG       MET  11  -0.409   8.754   3.366
   55   2HG   MET  11          2HG       MET  11   0.457   8.167   1.946
   56   1HE   MET  11          1HE       MET  11  -2.367  11.819   1.949
   57   2HE   MET  11          2HE       MET  11  -1.990  10.857   3.379
   58   3HE   MET  11          3HE       MET  11  -2.956  10.162   2.077
   59    H    LEU  12           H        LEU  12  -0.824   5.084   0.622
   60    HA   LEU  12           HA       LEU  12   1.851   5.586  -0.062
   61   1HB   LEU  12          1HB       LEU  12   0.293   3.015  -0.344
   62   2HB   LEU  12          2HB       LEU  12   2.039   3.157  -0.351
   63    HG   LEU  12           HG       LEU  12   0.281   3.876   1.995
   64   1HD1  LEU  12          1HD1      LEU  12   0.193   1.486   1.540
   65   2HD1  LEU  12          2HD1      LEU  12   1.116   1.815   3.007
   66   3HD1  LEU  12          3HD1      LEU  12   1.955   1.417   1.508
   67   1HD2  LEU  12          1HD2      LEU  12   2.392   5.103   1.932
   68   2HD2  LEU  12          2HD2      LEU  12   3.275   3.588   1.749
   69   3HD2  LEU  12          3HD2      LEU  12   2.386   3.916   3.237
   70    H    LEU  13           H        LEU  13  -0.852   4.373  -2.027
   71    HA   LEU  13           HA       LEU  13   0.608   4.070  -4.413
   72   1HB   LEU  13          1HB       LEU  13  -2.291   4.309  -3.736
   73   2HB   LEU  13          2HB       LEU  13  -1.801   4.408  -5.417
   74    HG   LEU  13           HG       LEU  13  -0.916   2.192  -5.387
   75   1HD1  LEU  13          1HD1      LEU  13   0.123   2.266  -3.170
   76   2HD1  LEU  13          2HD1      LEU  13  -0.843   0.809  -3.396
   77   3HD1  LEU  13          3HD1      LEU  13  -1.471   2.141  -2.426
   78   1HD2  LEU  13          1HD2      LEU  13  -3.574   2.391  -3.999
   79   2HD2  LEU  13          2HD2      LEU  13  -2.901   0.872  -4.590
   80   3HD2  LEU  13          3HD2      LEU  13  -3.258   2.177  -5.722
   81    H    GLU  14           H        GLU  14  -1.093   6.815  -3.016
   82    HA   GLU  14           HA       GLU  14  -1.012   8.504  -5.259
   83   1HB   GLU  14          1HB       GLU  14  -2.381   8.984  -3.276
   84   2HB   GLU  14          2HB       GLU  14  -0.925   9.222  -2.320
   85   1HG   GLU  14          1HG       GLU  14  -1.900  11.343  -2.941
   86   2HG   GLU  14          2HG       GLU  14  -0.324  11.136  -3.703
   87    H    ALA  15           H        ALA  15   1.250   7.999  -2.587
   88    HA   ALA  15           HA       ALA  15   3.168   9.894  -3.536
   89   1HB   ALA  15          1HB       ALA  15   3.017   9.288  -1.166
   90   2HB   ALA  15          2HB       ALA  15   4.629   8.973  -1.810
   91   3HB   ALA  15          3HB       ALA  15   3.504   7.639  -1.556
   92    H    ALA  16           H        ALA  16   2.403   6.623  -4.250
   93    HA   ALA  16           HA       ALA  16   4.930   5.755  -5.192
   94   1HB   ALA  16          1HB       ALA  16   3.710   3.942  -6.258
   95   2HB   ALA  16          2HB       ALA  16   2.187   4.794  -6.011
   96   3HB   ALA  16          3HB       ALA  16   3.103   4.207  -4.623
   97    H    ASP  17           H        ASP  17   2.049   6.963  -6.908
   98    HA   ASP  17           HA       ASP  17   3.384   7.093  -9.432
   99   1HB   ASP  17          1HB       ASP  17   0.945   6.810  -9.277
  100   2HB   ASP  17          2HB       ASP  17   0.805   8.397  -8.525
  101    H    TYR  18           H        TYR  18   2.809   9.308  -6.788
  102    HA   TYR  18           HA       TYR  18   3.485  11.713  -8.089
  103   1HB   TYR  18          1HB       TYR  18   2.368  11.815  -5.971
  104   2HB   TYR  18          2HB       TYR  18   3.631  10.872  -5.189
  105    HD1  TYR  18           HD1      TYR  18   2.638  14.175  -6.370
  106    HD2  TYR  18           HD2      TYR  18   5.790  11.909  -4.621
  107    HE1  TYR  18           HE1      TYR  18   3.765  16.259  -5.714
  108    HE2  TYR  18           HE2      TYR  18   6.921  13.988  -3.959
  109    HH   TYR  18           HH       TYR  18   6.975  16.359  -4.662
  110    H    LEU  19           H        LEU  19   5.432   9.312  -6.380
  111    HA   LEU  19           HA       LEU  19   7.856  10.833  -6.736
  112   1HB   LEU  19          1HB       LEU  19   7.690   9.691  -4.683
  113   2HB   LEU  19          2HB       LEU  19   7.158   8.209  -5.454
  114    HG   LEU  19           HG       LEU  19   9.407   7.980  -6.455
  115   1HD1  LEU  19          1HD1      LEU  19  11.243   9.321  -5.481
  116   2HD1  LEU  19          2HD1      LEU  19  10.040  10.323  -4.668
  117   3HD1  LEU  19          3HD1      LEU  19  10.115  10.289  -6.429
  118   1HD2  LEU  19          1HD2      LEU  19   8.829   6.762  -4.442
  119   2HD2  LEU  19          2HD2      LEU  19   9.283   8.147  -3.448
  120   3HD2  LEU  19          3HD2      LEU  19  10.513   7.282  -4.370
  121    H    GLU  20           H        GLU  20   6.135   8.269  -8.309
  122    HA   GLU  20           HA       GLU  20   8.183   6.961  -9.664
  123   1HB   GLU  20          1HB       GLU  20   5.851   6.186  -9.658
  124   2HB   GLU  20          2HB       GLU  20   5.386   7.561 -10.649
  125   1HG   GLU  20          1HG       GLU  20   6.813   6.738 -12.454
  126   2HG   GLU  20          2HG       GLU  20   7.266   5.356 -11.460
  127    H    ARG  21           H        ARG  21   6.201   9.688 -10.806
  128    HA   ARG  21           HA       ARG  21   6.475  11.154 -12.528
  129   1HB   ARG  21          1HB       ARG  21   9.137  11.087 -11.152
  130   2HB   ARG  21          2HB       ARG  21   8.825  12.198 -12.478
  131   1HG   ARG  21          1HG       ARG  21   7.000  13.201 -11.228
  132   2HG   ARG  21          2HG       ARG  21   7.255  12.051  -9.913
  133   1HD   ARG  21          1HD       ARG  21   9.520  12.947  -9.594
  134   2HD   ARG  21          2HD       ARG  21   9.230  14.114 -10.883
  135    HE   ARG  21           HE       ARG  21   7.205  14.605  -9.175
  136   1HH1  ARG  21          1HH1      ARG  21  10.646  14.304  -8.732
  137   2HH1  ARG  21          2HH1      ARG  21  10.701  15.406  -7.397
  138   1HH2  ARG  21          1HH2      ARG  21   7.266  16.055  -7.419
  139   2HH2  ARG  21          2HH2      ARG  21   8.779  16.404  -6.652
  140   1H    SER 295          1H        SER 295  -6.692  13.732  -1.051
  141   2H    SER 295          2H        SER 295  -6.228  12.158  -0.634
  142   3H    SER 295          3H        SER 295  -5.203  13.120  -1.577
  143    HA   SER 295           HA       SER 295  -4.398  13.006   0.676
  144   1HB   SER 295          1HB       SER 295  -4.264  15.436   1.115
  145   2HB   SER 295          2HB       SER 295  -4.002  15.065  -0.589
  146    HG   SER 295           HG       SER 295  -6.611  15.448  -0.175
  147    H    LEU 296           H        LEU 296  -5.129  12.216   2.528
  148    HA   LEU 296           HA       LEU 296  -7.765  12.994   3.509
  149   1HB   LEU 296          1HB       LEU 296  -5.834  10.823   4.290
  150   2HB   LEU 296          2HB       LEU 296  -7.233  11.212   5.270
  151    HG   LEU 296           HG       LEU 296  -7.727   9.301   3.888
  152   1HD1  LEU 296          1HD1      LEU 296  -9.722  10.094   2.736
  153   2HD1  LEU 296          2HD1      LEU 296  -9.135  11.753   2.844
  154   3HD1  LEU 296          3HD1      LEU 296  -9.548  10.867   4.313
  155   1HD2  LEU 296          1HD2      LEU 296  -7.075  11.053   1.520
  156   2HD2  LEU 296          2HD2      LEU 296  -7.703   9.406   1.456
  157   3HD2  LEU 296          3HD2      LEU 296  -6.095   9.711   2.113
  158    H    GLN 297           H        GLN 297  -8.088  14.321   5.174
  159    HA   GLN 297           HA       GLN 297  -7.700  15.810   6.843
  160   1HB   GLN 297          1HB       GLN 297  -5.464  13.890   7.516
  161   2HB   GLN 297          2HB       GLN 297  -6.037  15.177   8.568
  162   1HG   GLN 297          1HG       GLN 297  -8.259  14.105   8.606
  163   2HG   GLN 297          2HG       GLN 297  -7.607  12.784   7.637
  164   1HE2  GLN 297          1HE2      GLN 297  -7.999  11.250   9.210
  165   2HE2  GLN 297          2HE2      GLN 297  -7.084  11.159  10.672
  166    H    ASN 298           H        ASN 298  -7.121  17.663   5.831
  167    HA   ASN 298           HA       ASN 298  -4.533  18.062   4.676
  168   1HB   ASN 298          1HB       ASN 298  -6.532  19.208   3.807
  169   2HB   ASN 298          2HB       ASN 298  -6.700  20.072   5.333
  170   1HD2  ASN 298          1HD2      ASN 298  -6.490  22.079   4.398
  171   2HD2  ASN 298          2HD2      ASN 298  -4.992  22.665   3.766
  172    H    ASN 299           H        ASN 299  -5.727  18.179   7.826
  173    HA   ASN 299           HA       ASN 299  -4.088  20.287   8.849
  174   1HB   ASN 299          1HB       ASN 299  -6.157  19.594   9.982
  175   2HB   ASN 299          2HB       ASN 299  -5.456  18.010  10.301
  176   1HD2  ASN 299          1HD2      ASN 299  -5.681  18.262  12.520
  177   2HD2  ASN 299          2HD2      ASN 299  -4.661  19.317  13.433
  178    H    GLN 300           H        GLN 300  -3.757  16.805   8.501
  179    HA   GLN 300           HA       GLN 300  -1.020  17.009   9.572
  180   1HB   GLN 300          1HB       GLN 300  -2.889  14.639   9.531
  181   2HB   GLN 300          2HB       GLN 300  -1.205  14.567  10.031
  182   1HG   GLN 300          1HG       GLN 300  -3.291  16.296  11.333
  183   2HG   GLN 300          2HG       GLN 300  -2.811  14.701  11.905
  184   1HE2  GLN 300          1HE2      GLN 300  -0.790  14.420  12.837
  185   2HE2  GLN 300          2HE2      GLN 300   0.168  15.752  13.380
  186    HA   PRO 301           HA       PRO 301  -0.521  15.883   5.131
  187   1HB   PRO 301          1HB       PRO 301   1.285  17.738   4.468
  188   2HB   PRO 301          2HB       PRO 301  -0.430  18.145   4.605
  189   1HG   PRO 301          1HG       PRO 301   1.794  18.631   6.542
  190   2HG   PRO 301          2HG       PRO 301   0.453  19.697   6.085
  191   1HD   PRO 301          1HD       PRO 301   0.517  18.136   8.366
  192   2HD   PRO 301          2HD       PRO 301  -0.964  18.749   7.603
  193    H    VAL 302           H        VAL 302   1.051  15.292   7.835
  194    HA   VAL 302           HA       VAL 302   3.748  14.895   6.968
  195    HB   VAL 302           HB       VAL 302   2.348  13.670   9.349
  196   1HG1  VAL 302          1HG1      VAL 302   4.631  13.521  10.276
  197   2HG1  VAL 302          2HG1      VAL 302   5.270  14.076   8.729
  198   3HG1  VAL 302          3HG1      VAL 302   4.415  12.537   8.830
  199   1HG2  VAL 302          1HG2      VAL 302   2.159  16.088   9.418
  200   2HG2  VAL 302          2HG2      VAL 302   3.891  16.252   9.127
  201   3HG2  VAL 302          3HG2      VAL 302   3.313  15.534  10.631
  202    H    GLU 303           H        GLU 303   0.848  12.929   7.085
  203    HA   GLU 303           HA       GLU 303   1.976  10.394   6.782
  204   1HB   GLU 303          1HB       GLU 303  -0.667  11.536   5.903
  205   2HB   GLU 303          2HB       GLU 303  -0.245   9.848   5.644
  206   1HG   GLU 303          1HG       GLU 303  -1.550  10.014   7.631
  207   2HG   GLU 303          2HG       GLU 303   0.103   9.606   8.080
  208    H    PHE 304           H        PHE 304   1.422  12.945   4.462
  209    HA   PHE 304           HA       PHE 304   1.692  11.427   2.100
  210   1HB   PHE 304          1HB       PHE 304   0.789  13.767   2.258
  211   2HB   PHE 304          2HB       PHE 304   2.439  14.332   2.491
  212    HD1  PHE 304           HD1      PHE 304   0.276  12.472   0.115
  213    HD2  PHE 304           HD2      PHE 304   3.779  14.828   0.658
  214    HE1  PHE 304           HE1      PHE 304   0.566  12.598  -2.325
  215    HE2  PHE 304           HE2      PHE 304   4.075  14.958  -1.781
  216    HZ   PHE 304           HZ       PHE 304   2.466  13.843  -3.276
  217    H    ASN 305           H        ASN 305   4.067  13.534   3.729
  218    HA   ASN 305           HA       ASN 305   6.261  12.868   2.148
  219   1HB   ASN 305          1HB       ASN 305   6.065  13.819   5.005
  220   2HB   ASN 305          2HB       ASN 305   7.611  13.583   4.196
  221   1HD2  ASN 305          1HD2      ASN 305   4.795  14.673   2.464
  222   2HD2  ASN 305          2HD2      ASN 305   5.332  16.295   2.215
  223    H    HIS 306           H        HIS 306   5.042  11.360   5.110
  224    HA   HIS 306           HA       HIS 306   7.133   9.529   5.491
  225   1HB   HIS 306          1HB       HIS 306   5.402  10.012   7.188
  226   2HB   HIS 306          2HB       HIS 306   4.206   9.195   6.187
  227    HD1  HIS 306           HD1      HIS 306   3.919   6.757   6.591
  228    HD2  HIS 306           HD2      HIS 306   7.508   8.188   8.122
  229    HE1  HIS 306           HE1      HIS 306   4.927   4.830   7.855
  230    HE2  HIS 306           HE2      HIS 306   7.118   5.706   8.739
  231    H    ALA 307           H        ALA 307   4.201   9.380   3.547
  232    HA   ALA 307           HA       ALA 307   4.360   6.676   2.792
  233   1HB   ALA 307          1HB       ALA 307   2.345   8.030   2.484
  234   2HB   ALA 307          2HB       ALA 307   2.852   7.281   0.971
  235   3HB   ALA 307          3HB       ALA 307   3.175   8.991   1.260
  236    H    ILE 308           H        ILE 308   5.685   9.622   1.336
  237    HA   ILE 308           HA       ILE 308   6.737   8.428  -0.986
  238    HB   ILE 308           HB       ILE 308   7.809  10.845   0.475
  239   1HG1  ILE 308          1HG1      ILE 308   5.758  10.662  -1.745
  240   2HG1  ILE 308          2HG1      ILE 308   5.407  11.045  -0.064
  241   1HG2  ILE 308          1HG2      ILE 308   8.105   9.989  -2.402
  242   2HG2  ILE 308          2HG2      ILE 308   9.367   9.938  -1.171
  243   3HG2  ILE 308          3HG2      ILE 308   8.716  11.488  -1.702
  244   1HD1  ILE 308          1HD1      ILE 308   6.787  13.070  -0.265
  245   2HD1  ILE 308          2HD1      ILE 308   5.431  13.055  -1.390
  246   3HD1  ILE 308          3HD1      ILE 308   7.056  12.691  -1.966
  247    H    ASN 309           H        ASN 309   8.195   9.038   2.195
  248    HA   ASN 309           HA       ASN 309  10.778   8.123   1.574
  249   1HB   ASN 309          1HB       ASN 309   9.275   8.297   4.184
  250   2HB   ASN 309          2HB       ASN 309  10.946   7.751   4.092
  251   1HD2  ASN 309          1HD2      ASN 309   9.638  10.205   1.984
  252   2HD2  ASN 309          2HD2      ASN 309  10.523  11.527   2.654
  253    H    TYR 310           H        TYR 310   7.919   6.423   2.764
  254    HA   TYR 310           HA       TYR 310   9.166   3.940   3.252
  255   1HB   TYR 310          1HB       TYR 310   6.941   4.557   4.130
  256   2HB   TYR 310          2HB       TYR 310   6.291   4.505   2.495
  257    HD1  TYR 310           HD1      TYR 310   7.958   2.382   5.060
  258    HD2  TYR 310           HD2      TYR 310   5.430   2.514   1.640
  259    HE1  TYR 310           HE1      TYR 310   7.465  -0.010   5.341
  260    HE2  TYR 310           HE2      TYR 310   4.930   0.121   1.911
  261    HH   TYR 310           HH       TYR 310   5.945  -1.866   2.942
  262    H    VAL 311           H        VAL 311   7.194   5.010   0.483
  263    HA   VAL 311           HA       VAL 311   7.536   2.755  -1.113
  264    HB   VAL 311           HB       VAL 311   7.152   5.628  -1.971
  265   1HG1  VAL 311          1HG1      VAL 311   8.000   4.341  -3.832
  266   2HG1  VAL 311          2HG1      VAL 311   6.281   4.663  -4.074
  267   3HG1  VAL 311          3HG1      VAL 311   6.812   3.070  -3.534
  268   1HG2  VAL 311          1HG2      VAL 311   5.381   4.799  -0.516
  269   2HG2  VAL 311          2HG2      VAL 311   5.167   3.394  -1.561
  270   3HG2  VAL 311          3HG2      VAL 311   4.792   5.007  -2.166
  271    H    ASN 312           H        ASN 312   9.594   5.556  -0.639
  272    HA   ASN 312           HA       ASN 312  11.387   4.969  -2.780
  273   1HB   ASN 312          1HB       ASN 312  11.205   7.238  -1.886
  274   2HB   ASN 312          2HB       ASN 312  11.765   6.682  -0.311
  275   1HD2  ASN 312          1HD2      ASN 312  12.661   7.435  -3.573
  276   2HD2  ASN 312          2HD2      ASN 312  14.370   7.430  -3.324
  277    H    LYS 313           H        LYS 313  11.128   4.049   0.573
  278    HA   LYS 313           HA       LYS 313  13.745   3.043   0.919
  279   1HB   LYS 313          1HB       LYS 313  12.247   3.530   2.807
  280   2HB   LYS 313          2HB       LYS 313  11.180   2.227   2.301
  281   1HG   LYS 313          1HG       LYS 313  13.105   0.653   2.626
  282   2HG   LYS 313          2HG       LYS 313  13.988   1.995   3.354
  283   1HD   LYS 313          1HD       LYS 313  11.355   0.876   4.322
  284   2HD   LYS 313          2HD       LYS 313  12.934   0.578   5.052
  285   1HE   LYS 313          1HE       LYS 313  11.470   3.206   4.861
  286   2HE   LYS 313          2HE       LYS 313  11.814   2.277   6.320
  287   1HZ   LYS 313          1HZ       LYS 313  13.825   3.586   4.568
  288   2HZ   LYS 313          2HZ       LYS 313  14.184   2.654   5.934
  289   3HZ   LYS 313          3HZ       LYS 313  13.345   4.114   6.103
  290    H    ILE 314           H        ILE 314  10.698   1.512  -0.057
  291    HA   ILE 314           HA       ILE 314  11.818  -1.099  -0.321
  292    HB   ILE 314           HB       ILE 314   9.292   0.015  -1.547
  293   1HG1  ILE 314          1HG1      ILE 314   9.697  -1.555   1.009
  294   2HG1  ILE 314          2HG1      ILE 314   9.353   0.169   0.923
  295   1HG2  ILE 314          1HG2      ILE 314  10.161  -2.841  -1.110
  296   2HG2  ILE 314          2HG2      ILE 314  10.070  -2.012  -2.664
  297   3HG2  ILE 314          3HG2      ILE 314   8.598  -2.321  -1.742
  298   1HD1  ILE 314          1HD1      ILE 314   7.365  -1.116   1.470
  299   2HD1  ILE 314          2HD1      ILE 314   7.535  -2.035  -0.025
  300   3HD1  ILE 314          3HD1      ILE 314   7.190  -0.307  -0.087
  301    H    LYS 315           H        LYS 315  11.151   1.532  -2.591
  302    HA   LYS 315           HA       LYS 315  11.750   0.126  -4.952
  303   1HB   LYS 315          1HB       LYS 315  10.548   2.275  -4.907
  304   2HB   LYS 315          2HB       LYS 315  12.024   3.084  -4.397
  305   1HG   LYS 315          1HG       LYS 315  13.095   2.490  -6.497
  306   2HG   LYS 315          2HG       LYS 315  11.641   1.631  -7.007
  307   1HD   LYS 315          1HD       LYS 315  10.372   3.716  -6.922
  308   2HD   LYS 315          2HD       LYS 315  11.817   4.580  -6.391
  309   1HE   LYS 315          1HE       LYS 315  11.448   3.157  -9.026
  310   2HE   LYS 315          2HE       LYS 315  11.446   4.902  -8.775
  311   1HZ   LYS 315          1HZ       LYS 315  13.742   3.076  -8.304
  312   2HZ   LYS 315          2HZ       LYS 315  13.747   4.742  -8.017
  313   3HZ   LYS 315          3HZ       LYS 315  13.578   4.158  -9.595
  314    H    ASN 316           H        ASN 316  13.783   1.930  -2.710
  315    HA   ASN 316           HA       ASN 316  16.129   1.744  -4.357
  316   1HB   ASN 316          1HB       ASN 316  15.766   3.594  -2.739
  317   2HB   ASN 316          2HB       ASN 316  15.907   2.437  -1.420
  318   1HD2  ASN 316          1HD2      ASN 316  17.817   2.295  -4.341
  319   2HD2  ASN 316          2HD2      ASN 316  19.327   2.695  -3.604
  320    H    ARG 317           H        ARG 317  15.045   0.182  -1.353
  321    HA   ARG 317           HA       ARG 317  17.259  -1.454  -0.934
  322   1HB   ARG 317          1HB       ARG 317  15.469  -1.100   0.722
  323   2HB   ARG 317          2HB       ARG 317  14.369  -2.045  -0.271
  324   1HG   ARG 317          1HG       ARG 317  15.183  -3.398   1.540
  325   2HG   ARG 317          2HG       ARG 317  15.839  -4.005   0.018
  326   1HD   ARG 317          1HD       ARG 317  17.528  -3.946   1.802
  327   2HD   ARG 317          2HD       ARG 317  17.948  -2.895   0.450
  328    HE   ARG 317           HE       ARG 317  16.584  -1.347   2.313
  329   1HH1  ARG 317          1HH1      ARG 317  19.567  -3.136   2.100
  330   2HH1  ARG 317          2HH1      ARG 317  20.409  -2.113   3.215
  331   1HH2  ARG 317          1HH2      ARG 317  17.685   0.004   3.778
  332   2HH2  ARG 317          2HH2      ARG 317  19.338  -0.329   4.172
  333    H    PHE 318           H        PHE 318  14.432  -1.935  -2.975
  334    HA   PHE 318           HA       PHE 318  15.528  -4.517  -3.851
  335   1HB   PHE 318          1HB       PHE 318  12.756  -3.341  -4.104
  336   2HB   PHE 318          2HB       PHE 318  13.252  -4.842  -4.878
  337    HD1  PHE 318           HD1      PHE 318  12.251  -3.251  -1.785
  338    HD2  PHE 318           HD2      PHE 318  13.840  -6.805  -3.504
  339    HE1  PHE 318           HE1      PHE 318  11.700  -4.486   0.270
  340    HE2  PHE 318           HE2      PHE 318  13.291  -8.048  -1.453
  341    HZ   PHE 318           HZ       PHE 318  12.219  -6.887   0.439
  342    H    GLN 319           H        GLN 319  16.768  -2.149  -4.721
  343    HA   GLN 319           HA       GLN 319  15.875  -1.216  -7.213
  344   1HB   GLN 319          1HB       GLN 319  17.614  -0.104  -5.839
  345   2HB   GLN 319          2HB       GLN 319  18.725  -1.414  -6.216
  346   1HG   GLN 319          1HG       GLN 319  18.662  -0.829  -8.565
  347   2HG   GLN 319          2HG       GLN 319  17.481   0.439  -8.237
  348   1HE2  GLN 319          1HE2      GLN 319  20.141   0.615  -9.424
  349   2HE2  GLN 319          2HE2      GLN 319  21.030   1.723  -8.441
  350    H    GLY 320           H        GLY 320  17.733  -4.037  -6.292
  351   1HA   GLY 320          1HA       GLY 320  18.328  -4.705  -9.066
  352   2HA   GLY 320          2HA       GLY 320  18.844  -5.599  -7.645
  353    H    GLN 321           H        GLN 321  15.666  -4.995  -7.173
  354    HA   GLN 321           HA       GLN 321  14.748  -7.338  -8.685
  355   1HB   GLN 321          1HB       GLN 321  14.402  -6.859  -5.725
  356   2HB   GLN 321          2HB       GLN 321  13.445  -8.024  -6.628
  357   1HG   GLN 321          1HG       GLN 321  15.457  -9.252  -7.214
  358   2HG   GLN 321          2HG       GLN 321  16.444  -8.066  -6.360
  359   1HE2  GLN 321          1HE2      GLN 321  14.194 -10.695  -6.040
  360   2HE2  GLN 321          2HE2      GLN 321  14.449 -10.977  -4.354
  361    HA   PRO 322           HA       PRO 322  11.743  -3.887  -9.187
  362   1HB   PRO 322          1HB       PRO 322  11.162  -4.383 -11.775
  363   2HB   PRO 322          2HB       PRO 322  12.599  -3.476 -11.290
  364   1HG   PRO 322          1HG       PRO 322  12.354  -6.356 -12.075
  365   2HG   PRO 322          2HG       PRO 322  13.585  -5.169 -12.546
  366   1HD   PRO 322          1HD       PRO 322  13.979  -7.022 -10.594
  367   2HD   PRO 322          2HD       PRO 322  14.763  -5.430 -10.589
  368    H    ASP 323           H        ASP 323  11.602  -7.301  -9.595
  369    HA   ASP 323           HA       ASP 323   8.852  -7.559 -10.237
  370   1HB   ASP 323          1HB       ASP 323  10.518  -9.363 -10.578
  371   2HB   ASP 323          2HB       ASP 323  10.656  -9.541  -8.831
  372    H    ILE 324           H        ILE 324  10.634  -7.410  -7.201
  373    HA   ILE 324           HA       ILE 324   8.461  -8.082  -5.510
  374    HB   ILE 324           HB       ILE 324  10.851  -6.384  -4.788
  375   1HG1  ILE 324          1HG1      ILE 324  11.583  -8.475  -5.849
  376   2HG1  ILE 324          2HG1      ILE 324  11.956  -8.476  -4.129
  377   1HG2  ILE 324          1HG2      ILE 324   9.090  -6.361  -3.122
  378   2HG2  ILE 324          2HG2      ILE 324  10.474  -7.280  -2.531
  379   3HG2  ILE 324          3HG2      ILE 324   9.039  -8.123  -3.118
  380   1HD1  ILE 324          1HD1      ILE 324  11.140 -10.639  -4.835
  381   2HD1  ILE 324          2HD1      ILE 324   9.659  -9.904  -5.449
  382   3HD1  ILE 324          3HD1      ILE 324   9.999  -9.890  -3.718
  383    H    TYR 325           H        TYR 325   9.759  -5.011  -6.683
  384    HA   TYR 325           HA       TYR 325   8.121  -3.310  -5.154
  385   1HB   TYR 325          1HB       TYR 325  10.167  -2.600  -6.386
  386   2HB   TYR 325          2HB       TYR 325   9.287  -2.790  -7.898
  387    HD1  TYR 325           HD1      TYR 325   8.993  -1.006  -4.624
  388    HD2  TYR 325           HD2      TYR 325   8.286  -0.930  -8.819
  389    HE1  TYR 325           HE1      TYR 325   8.188   1.312  -4.440
  390    HE2  TYR 325           HE2      TYR 325   7.478   1.387  -8.648
  391    HH   TYR 325           HH       TYR 325   6.529   2.884  -6.953
  392    H    LYS 326           H        LYS 326   7.786  -4.381  -8.537
  393    HA   LYS 326           HA       LYS 326   5.296  -3.207  -9.021
  394   1HB   LYS 326          1HB       LYS 326   6.528  -5.692 -10.225
  395   2HB   LYS 326          2HB       LYS 326   5.093  -4.893 -10.853
  396   1HG   LYS 326          1HG       LYS 326   6.438  -2.848 -11.209
  397   2HG   LYS 326          2HG       LYS 326   7.868  -3.736 -10.680
  398   1HD   LYS 326          1HD       LYS 326   7.776  -3.700 -13.098
  399   2HD   LYS 326          2HD       LYS 326   7.515  -5.346 -12.518
  400   1HE   LYS 326          1HE       LYS 326   5.969  -4.801 -14.323
  401   2HE   LYS 326          2HE       LYS 326   5.103  -5.066 -12.810
  402   1HZ   LYS 326          1HZ       LYS 326   4.242  -3.141 -13.959
  403   2HZ   LYS 326          2HZ       LYS 326   5.774  -2.426 -13.993
  404   3HZ   LYS 326          3HZ       LYS 326   4.984  -2.659 -12.516
  405    H    ALA 327           H        ALA 327   6.169  -6.256  -7.519
  406    HA   ALA 327           HA       ALA 327   3.643  -7.480  -7.523
  407   1HB   ALA 327          1HB       ALA 327   5.651  -8.723  -6.983
  408   2HB   ALA 327          2HB       ALA 327   4.506  -8.829  -5.646
  409   3HB   ALA 327          3HB       ALA 327   5.896  -7.748  -5.534
  410    H    PHE 328           H        PHE 328   5.228  -5.483  -5.044
  411    HA   PHE 328           HA       PHE 328   3.173  -5.455  -3.166
  412   1HB   PHE 328          1HB       PHE 328   5.436  -4.601  -2.721
  413   2HB   PHE 328          2HB       PHE 328   5.154  -3.259  -3.821
  414    HD1  PHE 328           HD1      PHE 328   3.024  -4.718  -1.121
  415    HD2  PHE 328           HD2      PHE 328   5.149  -1.329  -2.577
  416    HE1  PHE 328           HE1      PHE 328   2.166  -3.378   0.753
  417    HE2  PHE 328           HE2      PHE 328   4.291   0.016  -0.706
  418    HZ   PHE 328           HZ       PHE 328   2.798  -1.008   0.964
  419    H    LEU 329           H        LEU 329   3.834  -3.148  -5.793
  420    HA   LEU 329           HA       LEU 329   1.624  -1.482  -5.368
  421   1HB   LEU 329          1HB       LEU 329   3.096  -2.140  -7.922
  422   2HB   LEU 329          2HB       LEU 329   1.922  -0.847  -7.768
  423    HG   LEU 329           HG       LEU 329   4.539  -1.028  -6.273
  424   1HD1  LEU 329          1HD1      LEU 329   3.679   0.759  -8.544
  425   2HD1  LEU 329          2HD1      LEU 329   4.857  -0.549  -8.637
  426   3HD1  LEU 329          3HD1      LEU 329   5.198   0.877  -7.660
  427   1HD2  LEU 329          1HD2      LEU 329   2.433   1.131  -6.316
  428   2HD2  LEU 329          2HD2      LEU 329   4.018   1.265  -5.554
  429   3HD2  LEU 329          3HD2      LEU 329   2.845   0.095  -4.949
  430    H    GLU 330           H        GLU 330   1.938  -4.552  -7.006
  431    HA   GLU 330           HA       GLU 330  -0.545  -4.486  -8.378
  432   1HB   GLU 330          1HB       GLU 330   1.330  -6.003  -8.970
  433   2HB   GLU 330          2HB       GLU 330   1.049  -6.893  -7.481
  434   1HG   GLU 330          1HG       GLU 330   0.072  -8.029  -9.392
  435   2HG   GLU 330          2HG       GLU 330  -1.169  -7.519  -8.248
  436    H    ILE 331           H        ILE 331   0.474  -5.832  -5.257
  437    HA   ILE 331           HA       ILE 331  -1.929  -7.070  -4.546
  438    HB   ILE 331           HB       ILE 331   0.053  -5.737  -2.691
  439   1HG1  ILE 331          1HG1      ILE 331  -0.095  -8.633  -3.551
  440   2HG1  ILE 331          2HG1      ILE 331   1.031  -7.461  -4.225
  441   1HG2  ILE 331          1HG2      ILE 331  -2.026  -7.858  -2.164
  442   2HG2  ILE 331          2HG2      ILE 331  -2.066  -6.188  -1.597
  443   3HG2  ILE 331          3HG2      ILE 331  -0.826  -7.291  -1.003
  444   1HD1  ILE 331          1HD1      ILE 331   2.054  -7.168  -2.035
  445   2HD1  ILE 331          2HD1      ILE 331   2.088  -8.860  -2.536
  446   3HD1  ILE 331          3HD1      ILE 331   0.908  -8.318  -1.342
  447    H    LEU 332           H        LEU 332  -0.729  -3.825  -3.696
  448    HA   LEU 332           HA       LEU 332  -3.059  -3.004  -2.352
  449   1HB   LEU 332          1HB       LEU 332  -1.167  -1.176  -3.812
  450   2HB   LEU 332          2HB       LEU 332  -2.165  -0.798  -2.423
  451    HG   LEU 332           HG       LEU 332   0.316  -2.507  -2.486
  452   1HD1  LEU 332          1HD1      LEU 332  -0.430   0.141  -1.309
  453   2HD1  LEU 332          2HD1      LEU 332   0.937  -0.270  -2.345
  454   3HD1  LEU 332          3HD1      LEU 332   0.910  -0.804  -0.665
  455   1HD2  LEU 332          1HD2      LEU 332  -1.383  -3.560  -1.040
  456   2HD2  LEU 332          2HD2      LEU 332  -1.534  -2.047  -0.147
  457   3HD2  LEU 332          3HD2      LEU 332  -0.010  -2.935  -0.127
  458    H    HIS 333           H        HIS 333  -2.156  -2.942  -5.741
  459    HA   HIS 333           HA       HIS 333  -4.126  -1.171  -6.672
  460   1HB   HIS 333          1HB       HIS 333  -2.278  -3.104  -7.841
  461   2HB   HIS 333          2HB       HIS 333  -3.798  -3.004  -8.724
  462    HD1  HIS 333           HD1      HIS 333  -3.797  -1.292 -10.496
  463    HD2  HIS 333           HD2      HIS 333  -1.189  -0.312  -7.414
  464    HE1  HIS 333           HE1      HIS 333  -2.690   0.851 -11.207
  465    HE2  HIS 333           HE2      HIS 333  -1.175   1.467  -9.290
  466    H    THR 334           H        THR 334  -4.147  -4.728  -6.523
  467    HA   THR 334           HA       THR 334  -6.779  -5.072  -7.431
  468    HB   THR 334           HB       THR 334  -5.178  -6.855  -5.582
  469    HG1  THR 334           HG1      THR 334  -4.834  -7.986  -7.637
  470   1HG2  THR 334          1HG2      THR 334  -7.546  -7.411  -5.490
  471   2HG2  THR 334          2HG2      THR 334  -6.668  -8.651  -6.385
  472   3HG2  THR 334          3HG2      THR 334  -7.627  -7.449  -7.251
  473    H    TYR 335           H        TYR 335  -5.451  -4.517  -4.222
  474    HA   TYR 335           HA       TYR 335  -7.760  -5.045  -2.718
  475   1HB   TYR 335          1HB       TYR 335  -5.556  -4.809  -1.694
  476   2HB   TYR 335          2HB       TYR 335  -5.498  -3.113  -2.162
  477    HD1  TYR 335           HD1      TYR 335  -6.651  -1.439  -0.890
  478    HD2  TYR 335           HD2      TYR 335  -7.089  -5.557   0.089
  479    HE1  TYR 335           HE1      TYR 335  -7.698  -0.814   1.245
  480    HE2  TYR 335           HE2      TYR 335  -8.140  -4.942   2.225
  481    HH   TYR 335           HH       TYR 335  -9.212  -1.798   2.910
  482    H    GLN 336           H        GLN 336  -6.493  -1.916  -3.869
  483    HA   GLN 336           HA       GLN 336  -8.654  -0.357  -2.997
  484   1HB   GLN 336          1HB       GLN 336  -6.445   0.546  -3.682
  485   2HB   GLN 336          2HB       GLN 336  -6.836   0.169  -5.354
  486   1HG   GLN 336          1HG       GLN 336  -8.760   1.700  -5.223
  487   2HG   GLN 336          2HG       GLN 336  -8.289   2.115  -3.576
  488   1HE2  GLN 336          1HE2      GLN 336  -6.000   1.518  -6.149
  489   2HE2  GLN 336          2HE2      GLN 336  -5.433   3.144  -6.285
  490    H    LYS 337           H        LYS 337  -8.112  -2.105  -6.010
  491    HA   LYS 337           HA       LYS 337 -10.239  -1.018  -7.481
  492   1HB   LYS 337          1HB       LYS 337  -8.439  -2.336  -8.490
  493   2HB   LYS 337          2HB       LYS 337  -9.027  -3.779  -7.676
  494   1HG   LYS 337          1HG       LYS 337 -11.094  -3.678  -8.940
  495   2HG   LYS 337          2HG       LYS 337 -10.567  -2.184  -9.714
  496   1HD   LYS 337          1HD       LYS 337 -10.038  -3.762 -11.315
  497   2HD   LYS 337          2HD       LYS 337  -8.512  -3.601 -10.447
  498   1HE   LYS 337          1HE       LYS 337 -10.583  -5.740  -9.960
  499   2HE   LYS 337          2HE       LYS 337  -9.104  -5.950 -10.895
  500   1HZ   LYS 337          1HZ       LYS 337  -8.780  -6.783  -8.687
  501   2HZ   LYS 337          2HZ       LYS 337  -9.291  -5.325  -7.999
  502   3HZ   LYS 337          3HZ       LYS 337  -7.843  -5.385  -8.874
  503    H    GLU 338           H        GLU 338 -10.082  -3.906  -5.419
  504    HA   GLU 338           HA       GLU 338 -12.767  -4.694  -5.836
  505   1HB   GLU 338          1HB       GLU 338 -10.874  -5.291  -3.555
  506   2HB   GLU 338          2HB       GLU 338 -12.432  -6.074  -3.783
  507   1HG   GLU 338          1HG       GLU 338 -10.122  -6.177  -5.710
  508   2HG   GLU 338          2HG       GLU 338 -10.582  -7.453  -4.583
  509    H    GLN 339           H        GLN 339 -11.225  -2.523  -3.548
  510    HA   GLN 339           HA       GLN 339 -13.423  -2.243  -1.788
  511   1HB   GLN 339          1HB       GLN 339 -11.080  -0.430  -2.369
  512   2HB   GLN 339          2HB       GLN 339 -12.258  -0.117  -1.101
  513   1HG   GLN 339          1HG       GLN 339 -10.814  -2.727  -1.185
  514   2HG   GLN 339          2HG       GLN 339 -10.018  -1.295  -0.538
  515   1HE2  GLN 339          1HE2      GLN 339 -13.459  -1.817  -0.247
  516   2HE2  GLN 339          2HE2      GLN 339 -13.467  -2.105   1.455
  517    H    ARG 340           H        ARG 340 -12.225  -0.032  -4.321
  518    HA   ARG 340           HA       ARG 340 -14.310   1.803  -4.210
  519   1HB   ARG 340          1HB       ARG 340 -12.186   2.162  -5.428
  520   2HB   ARG 340          2HB       ARG 340 -12.701   1.000  -6.643
  521   1HG   ARG 340          1HG       ARG 340 -14.648   2.470  -7.132
  522   2HG   ARG 340          2HG       ARG 340 -13.962   3.662  -6.026
  523   1HD   ARG 340          1HD       ARG 340 -12.657   2.584  -8.523
  524   2HD   ARG 340          2HD       ARG 340 -13.382   4.179  -8.335
  525    HE   ARG 340           HE       ARG 340 -11.453   3.936  -6.360
  526   1HH1  ARG 340          1HH1      ARG 340 -11.592   3.958  -9.844
  527   2HH1  ARG 340          2HH1      ARG 340 -10.003   4.622 -10.031
  528   1HH2  ARG 340          1HH2      ARG 340  -9.361   4.813  -6.601
  529   2HH2  ARG 340          2HH2      ARG 340  -8.738   5.109  -8.190
  530    H    ASN 341           H        ASN 341 -13.974  -1.105  -6.214
  531    HA   ASN 341           HA       ASN 341 -16.372  -0.797  -7.654
  532   1HB   ASN 341          1HB       ASN 341 -14.536  -2.328  -8.315
  533   2HB   ASN 341          2HB       ASN 341 -14.938  -3.367  -6.951
  534   1HD2  ASN 341          1HD2      ASN 341 -16.838  -4.570  -6.998
  535   2HD2  ASN 341          2HD2      ASN 341 -17.705  -4.855  -8.466
  536    H    ALA 342           H        ALA 342 -15.642  -2.358  -4.578
  537    HA   ALA 342           HA       ALA 342 -18.093  -3.664  -4.186
  538   1HB   ALA 342          1HB       ALA 342 -16.106  -4.134  -2.844
  539   2HB   ALA 342          2HB       ALA 342 -17.487  -3.730  -1.822
  540   3HB   ALA 342          3HB       ALA 342 -16.221  -2.535  -2.108
  541    H    LYS 343           H        LYS 343 -17.005  -0.441  -3.168
  542    HA   LYS 343           HA       LYS 343 -19.387   0.284  -1.845
  543   1HB   LYS 343          1HB       LYS 343 -17.128   1.396  -1.626
  544   2HB   LYS 343          2HB       LYS 343 -17.434   2.166  -3.175
  545   1HG   LYS 343          1HG       LYS 343 -19.459   2.464  -1.019
  546   2HG   LYS 343          2HG       LYS 343 -17.958   3.386  -0.911
  547   1HD   LYS 343          1HD       LYS 343 -18.388   4.268  -3.186
  548   2HD   LYS 343          2HD       LYS 343 -19.932   3.412  -3.195
  549   1HE   LYS 343          1HE       LYS 343 -20.686   4.703  -1.283
  550   2HE   LYS 343          2HE       LYS 343 -19.125   5.520  -1.194
  551   1HZ   LYS 343          1HZ       LYS 343 -19.545   6.449  -3.397
  552   2HZ   LYS 343          2HZ       LYS 343 -20.748   6.903  -2.299
  553   3HZ   LYS 343          3HZ       LYS 343 -21.059   5.696  -3.441
  554    H    GLU 344           H        GLU 344 -18.299   0.653  -5.182
  555    HA   GLU 344           HA       GLU 344 -20.567   2.212  -5.980
  556   1HB   GLU 344          1HB       GLU 344 -18.476   0.734  -7.582
  557   2HB   GLU 344          2HB       GLU 344 -19.731   1.735  -8.298
  558   1HG   GLU 344          1HG       GLU 344 -18.861   3.668  -7.040
  559   2HG   GLU 344          2HG       GLU 344 -17.562   2.649  -6.423
  560    H    ALA 345           H        ALA 345 -19.979  -1.112  -5.490
  561    HA   ALA 345           HA       ALA 345 -21.946  -2.091  -7.345
  562   1HB   ALA 345          1HB       ALA 345 -20.594  -3.492  -5.041
  563   2HB   ALA 345          2HB       ALA 345 -20.025  -3.464  -6.711
  564   3HB   ALA 345          3HB       ALA 345 -21.546  -4.263  -6.311
  565    H    GLY 346           H        GLY 346 -21.812  -1.418  -3.878
  566   1HA   GLY 346          1HA       GLY 346 -24.235  -0.569  -3.300
  567   2HA   GLY 346          2HA       GLY 346 -24.597  -2.265  -3.575
  568    H    GLY 347           H        GLY 347 -22.870  -3.732  -2.353
  569   1HA   GLY 347          1HA       GLY 347 -21.828  -2.803   0.105
  570   2HA   GLY 347          2HA       GLY 347 -23.419  -3.498   0.373
  571    H    ASN 348           H        ASN 348 -20.922  -4.450   1.416
  572    HA   ASN 348           HA       ASN 348 -19.786  -6.385   1.761
  573   1HB   ASN 348          1HB       ASN 348 -22.132  -7.614   0.298
  574   2HB   ASN 348          2HB       ASN 348 -20.954  -8.496   1.265
  575   1HD2  ASN 348          1HD2      ASN 348 -21.000  -8.319   3.500
  576   2HD2  ASN 348          2HD2      ASN 348 -22.362  -7.671   4.344
  577    H    TYR 349           H        TYR 349 -21.158  -7.675  -1.199
  578    HA   TYR 349           HA       TYR 349 -20.266  -8.266  -3.196
  579   1HB   TYR 349          1HB       TYR 349 -19.788  -5.898  -3.474
  580   2HB   TYR 349          2HB       TYR 349 -18.299  -6.064  -2.553
  581    HD1  TYR 349           HD1      TYR 349 -16.288  -6.599  -3.635
  582    HD2  TYR 349           HD2      TYR 349 -19.975  -7.162  -5.683
  583    HE1  TYR 349           HE1      TYR 349 -15.057  -7.069  -5.708
  584    HE2  TYR 349           HE2      TYR 349 -18.753  -7.635  -7.763
  585    HH   TYR 349           HH       TYR 349 -16.553  -7.172  -8.754
  586    H    THR 350           H        THR 350 -18.699  -8.679  -0.306
  587    HA   THR 350           HA       THR 350 -16.814  -9.784   0.403
  588    HB   THR 350           HB       THR 350 -18.330 -11.597   0.300
  589    HG1  THR 350           HG1      THR 350 -16.897 -13.309  -0.206
  590   1HG2  THR 350          1HG2      THR 350 -17.726 -11.828  -2.652
  591   2HG2  THR 350          2HG2      THR 350 -19.229 -11.230  -1.950
  592   3HG2  THR 350          3HG2      THR 350 -18.757 -12.913  -1.719
  593    HA   PRO 351           HA       PRO 351 -14.065  -8.518  -3.133
  594   1HB   PRO 351          1HB       PRO 351 -12.360  -8.028  -0.742
  595   2HB   PRO 351          2HB       PRO 351 -12.617  -7.017  -2.168
  596   1HG   PRO 351          1HG       PRO 351 -13.753  -6.392   0.153
  597   2HG   PRO 351          2HG       PRO 351 -14.630  -6.177  -1.374
  598   1HD   PRO 351          1HD       PRO 351 -14.923  -8.310   0.699
  599   2HD   PRO 351          2HD       PRO 351 -16.168  -7.511  -0.284
  600    H    ALA 352           H        ALA 352 -11.708  -9.180  -3.450
  601    HA   ALA 352           HA       ALA 352 -11.501 -12.016  -2.831
  602   1HB   ALA 352          1HB       ALA 352  -9.760 -12.072  -4.525
  603   2HB   ALA 352          2HB       ALA 352  -9.806 -10.314  -4.655
  604   3HB   ALA 352          3HB       ALA 352 -11.203 -11.273  -5.148
  605    H    LEU 353           H        LEU 353  -9.698  -9.015  -2.325
  606    HA   LEU 353           HA       LEU 353  -7.978 -10.465  -0.420
  607   1HB   LEU 353          1HB       LEU 353  -7.265  -8.018  -2.040
  608   2HB   LEU 353          2HB       LEU 353  -6.218  -8.832  -0.895
  609    HG   LEU 353           HG       LEU 353  -7.243 -10.014  -3.477
  610   1HD1  LEU 353          1HD1      LEU 353  -4.929  -9.837  -4.223
  611   2HD1  LEU 353          2HD1      LEU 353  -4.496  -9.042  -2.709
  612   3HD1  LEU 353          3HD1      LEU 353  -5.598  -8.252  -3.836
  613   1HD2  LEU 353          1HD2      LEU 353  -5.680 -11.839  -3.003
  614   2HD2  LEU 353          2HD2      LEU 353  -6.930 -11.717  -1.764
  615   3HD2  LEU 353          3HD2      LEU 353  -5.305 -11.110  -1.441
  616    H    THR 354           H        THR 354  -8.094  -9.831   1.627
  617    HA   THR 354           HA       THR 354  -9.436  -7.282   2.229
  618    HB   THR 354           HB       THR 354  -9.786  -8.271   4.517
  619    HG1  THR 354           HG1      THR 354  -8.127  -9.907   4.295
  620   1HG2  THR 354          1HG2      THR 354 -10.974  -9.766   2.176
  621   2HG2  THR 354          2HG2      THR 354 -11.585  -8.270   2.881
  622   3HG2  THR 354          3HG2      THR 354 -11.620  -9.763   3.818
  623    H    GLU 355           H        GLU 355  -8.689  -6.855   4.800
  624    HA   GLU 355           HA       GLU 355  -6.156  -5.662   4.531
  625   1HB   GLU 355          1HB       GLU 355  -7.674  -6.294   7.068
  626   2HB   GLU 355          2HB       GLU 355  -6.344  -5.154   6.921
  627   1HG   GLU 355          1HG       GLU 355  -7.690  -3.789   5.400
  628   2HG   GLU 355          2HG       GLU 355  -9.026  -4.929   5.570
  629    H    GLN 356           H        GLN 356  -7.173  -8.509   6.411
  630    HA   GLN 356           HA       GLN 356  -4.630  -9.175   7.393
  631   1HB   GLN 356          1HB       GLN 356  -6.769 -10.065   8.279
  632   2HB   GLN 356          2HB       GLN 356  -6.943 -11.038   6.825
  633   1HG   GLN 356          1HG       GLN 356  -4.812 -12.172   7.397
  634   2HG   GLN 356          2HG       GLN 356  -4.791 -11.273   8.912
  635   1HE2  GLN 356          1HE2      GLN 356  -6.289 -11.770  10.515
  636   2HE2  GLN 356          2HE2      GLN 356  -7.193 -13.242  10.501
  637    H    GLU 357           H        GLU 357  -6.389 -10.362   4.540
  638    HA   GLU 357           HA       GLU 357  -4.537 -12.240   3.664
  639   1HB   GLU 357          1HB       GLU 357  -6.395 -10.496   2.039
  640   2HB   GLU 357          2HB       GLU 357  -5.533 -11.893   1.408
  641   1HG   GLU 357          1HG       GLU 357  -6.700 -13.318   3.039
  642   2HG   GLU 357          2HG       GLU 357  -7.605 -11.908   3.590
  643    H    VAL 358           H        VAL 358  -4.753  -8.778   2.880
  644    HA   VAL 358           HA       VAL 358  -2.626  -8.689   1.068
  645    HB   VAL 358           HB       VAL 358  -3.804  -6.583   2.870
  646   1HG1  VAL 358          1HG1      VAL 358  -2.478  -4.922   1.590
  647   2HG1  VAL 358          2HG1      VAL 358  -1.563  -6.251   0.878
  648   3HG1  VAL 358          3HG1      VAL 358  -1.486  -5.959   2.616
  649   1HG2  VAL 358          1HG2      VAL 358  -5.139  -7.374   0.963
  650   2HG2  VAL 358          2HG2      VAL 358  -3.817  -6.942  -0.124
  651   3HG2  VAL 358          3HG2      VAL 358  -4.661  -5.685   0.780
  652    H    TYR 359           H        TYR 359  -2.611  -7.897   4.555
  653    HA   TYR 359           HA       TYR 359   0.071  -7.362   4.861
  654   1HB   TYR 359          1HB       TYR 359  -1.798  -7.245   6.611
  655   2HB   TYR 359          2HB       TYR 359  -1.484  -8.953   6.897
  656    HD1  TYR 359           HD1      TYR 359   0.841  -9.641   7.652
  657    HD2  TYR 359           HD2      TYR 359  -0.457  -5.588   7.605
  658    HE1  TYR 359           HE1      TYR 359   2.655  -9.047   9.202
  659    HE2  TYR 359           HE2      TYR 359   1.353  -4.986   9.157
  660    HH   TYR 359           HH       TYR 359   2.782  -6.074  10.832
  661    H    ALA 360           H        ALA 360  -1.541 -10.496   4.744
  662    HA   ALA 360           HA       ALA 360   0.646 -12.101   5.465
  663   1HB   ALA 360          1HB       ALA 360  -1.650 -12.793   3.635
  664   2HB   ALA 360          2HB       ALA 360  -1.660 -12.922   5.394
  665   3HB   ALA 360          3HB       ALA 360  -0.579 -13.939   4.442
  666    H    GLN 361           H        GLN 361  -0.603 -11.369   2.200
  667    HA   GLN 361           HA       GLN 361   1.431 -12.624   0.764
  668   1HB   GLN 361          1HB       GLN 361  -0.176 -10.188  -0.027
  669   2HB   GLN 361          2HB       GLN 361   0.732 -11.215  -1.129
  670   1HG   GLN 361          1HG       GLN 361  -0.714 -13.102  -0.557
  671   2HG   GLN 361          2HG       GLN 361  -1.629 -12.064   0.536
  672   1HE2  GLN 361          1HE2      GLN 361  -2.990 -10.493  -0.316
  673   2HE2  GLN 361          2HE2      GLN 361  -3.493 -10.507  -1.968
  674    H    VAL 362           H        VAL 362   1.126  -9.194   1.652
  675    HA   VAL 362           HA       VAL 362   3.512  -8.276   0.566
  676    HB   VAL 362           HB       VAL 362   2.203  -7.275   3.102
  677   1HG1  VAL 362          1HG1      VAL 362   4.454  -6.401   2.764
  678   2HG1  VAL 362          2HG1      VAL 362   3.244  -5.139   2.526
  679   3HG1  VAL 362          3HG1      VAL 362   4.019  -5.892   1.131
  680   1HG2  VAL 362          1HG2      VAL 362   1.724  -6.393   0.257
  681   2HG2  VAL 362          2HG2      VAL 362   0.952  -5.749   1.706
  682   3HG2  VAL 362          3HG2      VAL 362   0.630  -7.405   1.197
  683    H    ALA 363           H        ALA 363   2.877  -9.974   3.560
  684    HA   ALA 363           HA       ALA 363   5.422  -9.513   4.751
  685   1HB   ALA 363          1HB       ALA 363   3.459 -10.141   6.075
  686   2HB   ALA 363          2HB       ALA 363   4.793 -11.268   6.321
  687   3HB   ALA 363          3HB       ALA 363   3.437 -11.720   5.289
  688    H    ARG 364           H        ARG 364   4.075 -12.032   2.692
  689    HA   ARG 364           HA       ARG 364   6.226 -13.842   2.860
  690   1HB   ARG 364          1HB       ARG 364   4.078 -14.532   1.967
  691   2HB   ARG 364          2HB       ARG 364   4.219 -13.380   0.646
  692   1HG   ARG 364          1HG       ARG 364   6.197 -14.624  -0.171
  693   2HG   ARG 364          2HG       ARG 364   5.921 -15.821   1.096
  694   1HD   ARG 364          1HD       ARG 364   4.986 -16.519  -1.068
  695   2HD   ARG 364          2HD       ARG 364   3.745 -16.343   0.174
  696    HE   ARG 364           HE       ARG 364   3.794 -13.928  -1.101
  697   1HH1  ARG 364          1HH1      ARG 364   3.353 -17.234  -2.111
  698   2HH1  ARG 364          2HH1      ARG 364   2.305 -16.826  -3.428
  699   1HH2  ARG 364          1HH2      ARG 364   2.415 -13.382  -2.830
  700   2HH2  ARG 364          2HH2      ARG 364   1.773 -14.636  -3.838
  701    H    LEU 365           H        LEU 365   5.545 -11.167   0.641
  702    HA   LEU 365           HA       LEU 365   7.742 -11.566  -1.073
  703   1HB   LEU 365          1HB       LEU 365   6.287  -9.011  -0.384
  704   2HB   LEU 365          2HB       LEU 365   7.394  -9.207  -1.731
  705    HG   LEU 365           HG       LEU 365   4.780 -10.686  -1.401
  706   1HD1  LEU 365          1HD1      LEU 365   4.002  -9.283  -3.244
  707   2HD1  LEU 365          2HD1      LEU 365   5.526  -8.398  -3.216
  708   3HD1  LEU 365          3HD1      LEU 365   4.434  -8.317  -1.834
  709   1HD2  LEU 365          1HD2      LEU 365   5.153 -11.445  -3.677
  710   2HD2  LEU 365          2HD2      LEU 365   6.485 -11.953  -2.638
  711   3HD2  LEU 365          3HD2      LEU 365   6.693 -10.586  -3.733
  712    H    PHE 366           H        PHE 366   7.365  -9.500   1.795
  713    HA   PHE 366           HA       PHE 366  10.200  -8.822   1.698
  714   1HB   PHE 366          1HB       PHE 366   8.060  -7.868   3.612
  715   2HB   PHE 366          2HB       PHE 366   9.697  -7.234   3.488
  716    HD1  PHE 366           HD1      PHE 366  10.042  -7.026   0.577
  717    HD2  PHE 366           HD2      PHE 366   6.684  -6.108   3.026
  718    HE1  PHE 366           HE1      PHE 366   9.280  -5.387  -1.092
  719    HE2  PHE 366           HE2      PHE 366   5.913  -4.470   1.358
  720    HZ   PHE 366           HZ       PHE 366   7.211  -4.107  -0.702
  721    H    LYS 367           H        LYS 367  11.298 -10.614   2.342
  722    HA   LYS 367           HA       LYS 367  10.540 -11.934   4.835
  723   1HB   LYS 367          1HB       LYS 367  11.082 -13.335   2.885
  724   2HB   LYS 367          2HB       LYS 367  12.690 -12.627   2.823
  725   1HG   LYS 367          1HG       LYS 367  13.225 -13.586   4.983
  726   2HG   LYS 367          2HG       LYS 367  11.593 -14.244   5.113
  727   1HD   LYS 367          1HD       LYS 367  12.003 -15.595   3.093
  728   2HD   LYS 367          2HD       LYS 367  13.653 -14.971   3.030
  729   1HE   LYS 367          1HE       LYS 367  13.520 -17.204   4.067
  730   2HE   LYS 367          2HE       LYS 367  14.158 -15.980   5.165
  731   1HZ   LYS 367          1HZ       LYS 367  11.351 -16.953   5.137
  732   2HZ   LYS 367          2HZ       LYS 367  12.003 -15.828   6.219
  733   3HZ   LYS 367          3HZ       LYS 367  12.539 -17.433   6.243
  734    H    ASN 368           H        ASN 368  11.826 -11.999   6.648
  735    HA   ASN 368           HA       ASN 368  13.352 -11.309   8.184
  736   1HB   ASN 368          1HB       ASN 368  14.934 -12.260   6.464
  737   2HB   ASN 368          2HB       ASN 368  15.137 -10.625   5.844
  738   1HD2  ASN 368          1HD2      ASN 368  15.717 -12.770   8.522
  739   2HD2  ASN 368          2HD2      ASN 368  16.926 -11.804   9.292
  740    H    GLN 369           H        GLN 369  11.652  -9.342   6.367
  741    HA   GLN 369           HA       GLN 369  12.830  -6.911   7.539
  742   1HB   GLN 369          1HB       GLN 369  11.377  -7.127   4.897
  743   2HB   GLN 369          2HB       GLN 369  11.986  -5.642   5.612
  744   1HG   GLN 369          1HG       GLN 369  13.640  -7.983   4.695
  745   2HG   GLN 369          2HG       GLN 369  13.468  -6.434   3.871
  746   1HE2  GLN 369          1HE2      GLN 369  15.865  -7.752   4.874
  747   2HE2  GLN 369          2HE2      GLN 369  16.590  -6.648   5.988
  748    H    GLU 370           H        GLU 370  11.449  -7.326   9.363
  749    HA   GLU 370           HA       GLU 370   8.598  -7.337   9.048
  750   1HB   GLU 370          1HB       GLU 370  10.239  -6.886  11.547
  751   2HB   GLU 370          2HB       GLU 370   8.527  -7.281  11.484
  752   1HG   GLU 370          1HG       GLU 370   9.048  -9.449  10.510
  753   2HG   GLU 370          2HG       GLU 370  10.766  -9.055  10.536
  754    H    ASP 371           H        ASP 371  11.021  -4.938   9.252
  755    HA   ASP 371           HA       ASP 371   9.663  -2.815  10.449
  756   1HB   ASP 371          1HB       ASP 371  11.717  -2.714   8.231
  757   2HB   ASP 371          2HB       ASP 371  11.255  -1.363   9.263
  758    H    LEU 372           H        LEU 372   9.901  -3.661   6.996
  759    HA   LEU 372           HA       LEU 372   8.368  -1.586   5.968
  760   1HB   LEU 372          1HB       LEU 372   9.000  -4.354   5.056
  761   2HB   LEU 372          2HB       LEU 372   7.778  -3.446   4.189
  762    HG   LEU 372           HG       LEU 372   9.388  -1.702   3.661
  763   1HD1  LEU 372          1HD1      LEU 372  10.754  -1.789   5.665
  764   2HD1  LEU 372          2HD1      LEU 372  11.759  -1.962   4.227
  765   3HD1  LEU 372          3HD1      LEU 372  11.364  -3.377   5.203
  766   1HD2  LEU 372          1HD2      LEU 372  10.894  -3.007   2.214
  767   2HD2  LEU 372          2HD2      LEU 372   9.221  -3.555   2.118
  768   3HD2  LEU 372          3HD2      LEU 372  10.398  -4.476   3.054
  769    H    LEU 373           H        LEU 373   7.255  -4.878   6.788
  770    HA   LEU 373           HA       LEU 373   4.542  -4.451   6.286
  771   1HB   LEU 373          1HB       LEU 373   6.152  -6.424   7.756
  772   2HB   LEU 373          2HB       LEU 373   4.498  -6.275   8.310
  773    HG   LEU 373           HG       LEU 373   4.667  -8.064   6.700
  774   1HD1  LEU 373          1HD1      LEU 373   2.602  -6.787   6.703
  775   2HD1  LEU 373          2HD1      LEU 373   2.991  -7.335   5.074
  776   3HD1  LEU 373          3HD1      LEU 373   3.280  -5.656   5.533
  777   1HD2  LEU 373          1HD2      LEU 373   6.644  -7.306   5.522
  778   2HD2  LEU 373          2HD2      LEU 373   5.733  -5.971   4.819
  779   3HD2  LEU 373          3HD2      LEU 373   5.333  -7.634   4.390
  780    H    SER 374           H        SER 374   6.491  -3.743   9.116
  781    HA   SER 374           HA       SER 374   4.409  -3.249  10.941
  782   1HB   SER 374          1HB       SER 374   6.747  -3.518  11.646
  783   2HB   SER 374          2HB       SER 374   7.171  -2.010  10.833
  784    HG   SER 374           HG       SER 374   6.819  -1.405  12.886
  785    H    GLU 375           H        GLU 375   6.309  -0.958   8.981
  786    HA   GLU 375           HA       GLU 375   4.880   1.344   9.663
  787   1HB   GLU 375          1HB       GLU 375   6.324   0.713   7.082
  788   2HB   GLU 375          2HB       GLU 375   5.837   2.319   7.607
  789   1HG   GLU 375          1HG       GLU 375   7.310   2.128   9.549
  790   2HG   GLU 375          2HG       GLU 375   7.804   0.523   9.008
  791    H    PHE 376           H        PHE 376   4.330  -1.093   7.203
  792    HA   PHE 376           HA       PHE 376   2.215   0.275   5.874
  793   1HB   PHE 376          1HB       PHE 376   3.524  -1.502   4.782
  794   2HB   PHE 376          2HB       PHE 376   2.899  -2.675   5.936
  795    HD1  PHE 376           HD1      PHE 376   2.016  -0.487   3.109
  796    HD2  PHE 376           HD2      PHE 376   0.753  -3.645   5.668
  797    HE1  PHE 376           HE1      PHE 376   0.112  -0.931   1.617
  798    HE2  PHE 376           HE2      PHE 376  -1.154  -4.093   4.180
  799    HZ   PHE 376           HZ       PHE 376  -1.477  -2.736   2.151
  800    H    GLY 377           H        GLY 377   2.469  -1.689   8.705
  801   1HA   GLY 377          1HA       GLY 377  -0.346  -2.325   8.851
  802   2HA   GLY 377          2HA       GLY 377   0.868  -2.660  10.077
  803    H    GLN 378           H        GLN 378   1.774   0.162  10.073
  804    HA   GLN 378           HA       GLN 378   0.265   1.125  12.202
  805   1HB   GLN 378          1HB       GLN 378   1.989   2.667  10.256
  806   2HB   GLN 378          2HB       GLN 378   1.409   3.288  11.795
  807   1HG   GLN 378          1HG       GLN 378   3.121   0.834  11.551
  808   2HG   GLN 378          2HG       GLN 378   3.774   2.455  11.771
  809   1HE2  GLN 378          1HE2      GLN 378   4.690   1.956  13.744
  810   2HE2  GLN 378          2HE2      GLN 378   3.749   1.714  15.172
  811    H    PHE 379           H        PHE 379  -0.180   1.492   8.768
  812    HA   PHE 379           HA       PHE 379  -2.100   3.622   8.973
  813   1HB   PHE 379          1HB       PHE 379  -1.354   1.779   6.695
  814   2HB   PHE 379          2HB       PHE 379  -2.517   3.092   6.551
  815    HD1  PHE 379           HD1      PHE 379  -1.721   5.449   6.998
  816    HD2  PHE 379           HD2      PHE 379   0.937   2.169   6.468
  817    HE1  PHE 379           HE1      PHE 379   0.105   7.018   6.492
  818    HE2  PHE 379           HE2      PHE 379   2.770   3.733   5.962
  819    HZ   PHE 379           HZ       PHE 379   2.355   6.160   5.974
  820    H    LEU 380           H        LEU 380  -2.158   0.140   8.923
  821    HA   LEU 380           HA       LEU 380  -5.029   0.001   8.565
  822   1HB   LEU 380          1HB       LEU 380  -3.056  -2.182   9.244
  823   2HB   LEU 380          2HB       LEU 380  -4.721  -2.416   8.752
  824    HG   LEU 380           HG       LEU 380  -2.542  -1.240   7.025
  825   1HD1  LEU 380          1HD1      LEU 380  -3.874  -3.942   6.935
  826   2HD1  LEU 380          2HD1      LEU 380  -2.217  -3.620   7.446
  827   3HD1  LEU 380          3HD1      LEU 380  -2.698  -3.328   5.775
  828   1HD2  LEU 380          1HD2      LEU 380  -4.192  -1.473   5.215
  829   2HD2  LEU 380          2HD2      LEU 380  -4.711  -0.327   6.451
  830   3HD2  LEU 380          3HD2      LEU 380  -5.407  -1.947   6.402
  831    HA   PRO 381           HA       PRO 381  -6.151   0.113  12.841
  832   1HB   PRO 381          1HB       PRO 381  -8.168  -1.968  12.331
  833   2HB   PRO 381          2HB       PRO 381  -8.391  -0.288  12.828
  834   1HG   PRO 381          1HG       PRO 381  -9.034  -1.127  10.360
  835   2HG   PRO 381          2HG       PRO 381  -8.381   0.494  10.656
  836   1HD   PRO 381          1HD       PRO 381  -6.994  -1.948   9.614
  837   2HD   PRO 381          2HD       PRO 381  -6.850  -0.258   9.085
  838    H    ASP 382           H        ASP 382  -7.276  -1.912  14.370
  839    HA   ASP 382           HA       ASP 382  -5.015  -3.324  15.246
  840   1HB   ASP 382          1HB       ASP 382  -7.941  -3.881  15.784
  841   2HB   ASP 382          2HB       ASP 382  -6.595  -4.567  16.689
  842    H    ALA 383           H        ALA 383  -7.321  -4.017  12.788
  843    HA   ALA 383           HA       ALA 383  -7.074  -6.836  12.718
  844   1HB   ALA 383          1HB       ALA 383  -8.924  -5.636  11.649
  845   2HB   ALA 383          2HB       ALA 383  -8.084  -6.687  10.509
  846   3HB   ALA 383          3HB       ALA 383  -7.798  -4.947  10.480
  Start of MODEL   12
    1   1H    ARG   6          1H        ARG   6 -10.427   5.796   4.738
    2   2H    ARG   6          2H        ARG   6  -9.786   4.875   6.003
    3   3H    ARG   6          3H        ARG   6 -10.738   4.134   4.818
    4    HA   ARG   6           HA       ARG   6  -8.408   3.646   4.476
    5   1HB   ARG   6          1HB       ARG   6  -9.638   5.493   2.422
    6   2HB   ARG   6          2HB       ARG   6  -8.257   4.447   2.120
    7   1HG   ARG   6          1HG       ARG   6  -9.646   2.486   2.603
    8   2HG   ARG   6          2HG       ARG   6 -11.031   3.548   2.869
    9   1HD   ARG   6          1HD       ARG   6  -9.469   3.333   0.297
   10   2HD   ARG   6          2HD       ARG   6 -11.014   2.545   0.614
   11    HE   ARG   6           HE       ARG   6 -11.501   5.179   1.100
   12   1HH1  ARG   6          1HH1      ARG   6 -10.207   3.401  -1.605
   13   2HH1  ARG   6          2HH1      ARG   6 -10.808   4.514  -2.788
   14   1HH2  ARG   6          1HH2      ARG   6 -12.296   6.649  -0.450
   15   2HH2  ARG   6          2HH2      ARG   6 -11.994   6.361  -2.131
   16    H    MET   7           H        MET   7  -6.359   4.270   4.746
   17    HA   MET   7           HA       MET   7  -5.522   6.988   4.292
   18   1HB   MET   7          1HB       MET   7  -6.404   7.203   6.542
   19   2HB   MET   7          2HB       MET   7  -5.490   5.796   7.070
   20   1HG   MET   7          1HG       MET   7  -3.410   6.994   6.651
   21   2HG   MET   7          2HG       MET   7  -4.328   8.407   6.139
   22   1HE   MET   7          1HE       MET   7  -4.378   6.727  10.439
   23   2HE   MET   7          2HE       MET   7  -3.392   6.056   9.140
   24   3HE   MET   7          3HE       MET   7  -5.149   5.918   9.075
   25    H    ASN   8           H        ASN   8  -4.892   3.678   5.070
   26    HA   ASN   8           HA       ASN   8  -2.031   3.903   5.090
   27   1HB   ASN   8          1HB       ASN   8  -2.955   2.128   6.375
   28   2HB   ASN   8          2HB       ASN   8  -3.920   1.553   5.020
   29   1HD2  ASN   8          1HD2      ASN   8  -0.583   2.554   4.721
   30   2HD2  ASN   8          2HD2      ASN   8   0.058   0.983   4.399
   31    H    ILE   9           H        ILE   9  -3.959   1.788   2.998
   32    HA   ILE   9           HA       ILE   9  -2.014   1.706   0.964
   33    HB   ILE   9           HB       ILE   9  -4.953   1.052   0.707
   34   1HG1  ILE   9          1HG1      ILE   9  -3.907  -1.347   0.978
   35   2HG1  ILE   9          2HG1      ILE   9  -2.621  -0.478   1.808
   36   1HG2  ILE   9          1HG2      ILE   9  -2.563   0.202  -0.923
   37   2HG2  ILE   9          2HG2      ILE   9  -3.875   1.261  -1.446
   38   3HG2  ILE   9          3HG2      ILE   9  -4.195  -0.440  -1.105
   39   1HD1  ILE   9          1HD1      ILE   9  -5.532  -0.356   2.560
   40   2HD1  ILE   9          2HD1      ILE   9  -4.180   0.360   3.437
   41   3HD1  ILE   9          3HD1      ILE   9  -4.330  -1.393   3.325
   42    H    GLN  10           H        GLN  10  -4.651   3.885   1.574
   43    HA   GLN  10           HA       GLN  10  -4.966   4.926  -1.030
   44   1HB   GLN  10          1HB       GLN  10  -6.587   5.285   0.797
   45   2HB   GLN  10          2HB       GLN  10  -5.417   6.308   1.621
   46   1HG   GLN  10          1HG       GLN  10  -5.464   7.862  -0.283
   47   2HG   GLN  10          2HG       GLN  10  -6.684   6.851  -1.055
   48   1HE2  GLN  10          1HE2      GLN  10  -6.546   7.441   2.384
   49   2HE2  GLN  10          2HE2      GLN  10  -7.986   8.391   2.477
   50    H    MET  11           H        MET  11  -3.349   6.482   1.748
   51    HA   MET  11           HA       MET  11  -2.084   8.492   0.292
   52   1HB   MET  11          1HB       MET  11  -2.361   8.261   2.827
   53   2HB   MET  11          2HB       MET  11  -0.932   7.237   2.780
   54   1HG   MET  11          1HG       MET  11  -0.271   9.445   3.377
   55   2HG   MET  11          2HG       MET  11   0.317   9.105   1.751
   56   1HE   MET  11          1HE       MET  11  -3.359  11.752   2.644
   57   2HE   MET  11          2HE       MET  11  -2.384  10.984   3.895
   58   3HE   MET  11          3HE       MET  11  -3.372   9.997   2.817
   59    H    LEU  12           H        LEU  12  -1.110   5.196   0.986
   60    HA   LEU  12           HA       LEU  12   1.577   5.308   0.240
   61   1HB   LEU  12          1HB       LEU  12  -0.247   3.354   1.021
   62   2HB   LEU  12          2HB       LEU  12   0.279   2.839  -0.568
   63    HG   LEU  12           HG       LEU  12   2.216   3.520   1.634
   64   1HD1  LEU  12          1HD1      LEU  12   0.725   1.702   2.364
   65   2HD1  LEU  12          2HD1      LEU  12   2.382   1.155   2.112
   66   3HD1  LEU  12          3HD1      LEU  12   1.142   0.798   0.908
   67   1HD2  LEU  12          1HD2      LEU  12   3.766   2.218   0.292
   68   2HD2  LEU  12          2HD2      LEU  12   3.081   3.536  -0.659
   69   3HD2  LEU  12          3HD2      LEU  12   2.495   1.889  -0.885
   70    H    LEU  13           H        LEU  13  -1.221   4.318  -1.756
   71    HA   LEU  13           HA       LEU  13   0.162   4.044  -4.164
   72   1HB   LEU  13          1HB       LEU  13  -2.655   4.368  -3.353
   73   2HB   LEU  13          2HB       LEU  13  -2.295   4.837  -5.003
   74    HG   LEU  13           HG       LEU  13  -3.083   2.515  -4.836
   75   1HD1  LEU  13          1HD1      LEU  13  -1.613   3.141  -6.667
   76   2HD1  LEU  13          2HD1      LEU  13  -1.302   1.482  -6.155
   77   3HD1  LEU  13          3HD1      LEU  13  -0.200   2.774  -5.678
   78   1HD2  LEU  13          1HD2      LEU  13  -0.623   2.160  -3.140
   79   2HD2  LEU  13          2HD2      LEU  13  -1.522   0.829  -3.866
   80   3HD2  LEU  13          3HD2      LEU  13  -2.301   1.875  -2.680
   81    H    GLU  14           H        GLU  14  -1.467   6.870  -2.770
   82    HA   GLU  14           HA       GLU  14  -1.227   8.620  -4.905
   83   1HB   GLU  14          1HB       GLU  14  -2.495   9.103  -2.845
   84   2HB   GLU  14          2HB       GLU  14  -0.984   9.270  -1.962
   85   1HG   GLU  14          1HG       GLU  14  -1.907  11.436  -2.521
   86   2HG   GLU  14          2HG       GLU  14  -0.373  11.174  -3.349
   87    H    ALA  15           H        ALA  15   1.112   7.815  -2.381
   88    HA   ALA  15           HA       ALA  15   3.079   9.697  -3.132
   89   1HB   ALA  15          1HB       ALA  15   3.492   7.046  -1.755
   90   2HB   ALA  15          2HB       ALA  15   3.025   8.544  -0.948
   91   3HB   ALA  15          3HB       ALA  15   4.593   8.424  -1.746
   92    H    ALA  16           H        ALA  16   2.604   6.280  -3.980
   93    HA   ALA  16           HA       ALA  16   4.915   5.945  -5.518
   94   1HB   ALA  16          1HB       ALA  16   3.490   4.093  -4.756
   95   2HB   ALA  16          2HB       ALA  16   3.815   4.016  -6.488
   96   3HB   ALA  16          3HB       ALA  16   2.251   4.588  -5.908
   97    H    ASP  17           H        ASP  17   1.617   6.779  -6.590
   98    HA   ASP  17           HA       ASP  17   2.265   7.092  -9.310
   99   1HB   ASP  17          1HB       ASP  17  -0.043   6.805  -8.507
  100   2HB   ASP  17          2HB       ASP  17   0.027   8.386  -7.733
  101    H    TYR  18           H        TYR  18   2.479   9.250  -6.573
  102    HA   TYR  18           HA       TYR  18   2.738  11.689  -7.946
  103   1HB   TYR  18          1HB       TYR  18   2.331  11.653  -5.562
  104   2HB   TYR  18          2HB       TYR  18   3.841  10.798  -5.273
  105    HD1  TYR  18           HD1      TYR  18   5.985  11.979  -5.407
  106    HD2  TYR  18           HD2      TYR  18   2.300  14.034  -5.969
  107    HE1  TYR  18           HE1      TYR  18   7.141  14.127  -5.096
  108    HE2  TYR  18           HE2      TYR  18   3.447  16.187  -5.661
  109    HH   TYR  18           HH       TYR  18   6.805  16.508  -5.723
  110    H    LEU  19           H        LEU  19   5.220   9.456  -6.723
  111    HA   LEU  19           HA       LEU  19   7.406  10.930  -7.794
  112   1HB   LEU  19          1HB       LEU  19   7.344   8.019  -7.014
  113   2HB   LEU  19          2HB       LEU  19   8.760   9.042  -7.144
  114    HG   LEU  19           HG       LEU  19   6.555   9.499  -5.140
  115   1HD1  LEU  19          1HD1      LEU  19   8.055   8.514  -3.491
  116   2HD1  LEU  19          2HD1      LEU  19   9.209   8.120  -4.764
  117   3HD1  LEU  19          3HD1      LEU  19   7.627   7.342  -4.737
  118   1HD2  LEU  19          1HD2      LEU  19   8.210  10.925  -4.050
  119   2HD2  LEU  19          2HD2      LEU  19   7.876  11.477  -5.692
  120   3HD2  LEU  19          3HD2      LEU  19   9.360  10.589  -5.345
  121    H    GLU  20           H        GLU  20   6.105   7.738  -8.716
  122    HA   GLU  20           HA       GLU  20   7.578   7.360 -11.022
  123   1HB   GLU  20          1HB       GLU  20   6.167   5.635  -9.967
  124   2HB   GLU  20          2HB       GLU  20   4.729   6.481 -10.522
  125   1HG   GLU  20          1HG       GLU  20   5.387   6.095 -12.838
  126   2HG   GLU  20          2HG       GLU  20   6.843   5.267 -12.289
  127    H    ARG  21           H        ARG  21   4.619   9.208 -10.570
  128    HA   ARG  21           HA       ARG  21   4.963  10.279 -13.286
  129   1HB   ARG  21          1HB       ARG  21   2.342   9.531 -11.978
  130   2HB   ARG  21          2HB       ARG  21   2.492  10.399 -13.499
  131   1HG   ARG  21          1HG       ARG  21   3.630   8.480 -14.490
  132   2HG   ARG  21          2HG       ARG  21   3.485   7.608 -12.963
  133   1HD   ARG  21          1HD       ARG  21   1.746   6.918 -14.518
  134   2HD   ARG  21          2HD       ARG  21   1.047   7.737 -13.123
  135    HE   ARG  21           HE       ARG  21   1.429   9.662 -15.081
  136   1HH1  ARG  21          1HH1      ARG  21  -0.427   6.743 -14.654
  137   2HH1  ARG  21          2HH1      ARG  21  -1.719   7.260 -15.684
  138   1HH2  ARG  21          1HH2      ARG  21  -0.267  10.350 -16.442
  139   2HH2  ARG  21          2HH2      ARG  21  -1.627   9.309 -16.703
  140   1H    SER 295          1H        SER 295 -12.724  14.571   2.299
  141   2H    SER 295          2H        SER 295 -12.961  16.137   1.704
  142   3H    SER 295          3H        SER 295 -13.276  15.794   3.328
  143    HA   SER 295           HA       SER 295 -10.616  15.656   2.037
  144   1HB   SER 295          1HB       SER 295 -11.758  17.709   3.949
  145   2HB   SER 295          2HB       SER 295 -10.091  17.662   3.380
  146    HG   SER 295           HG       SER 295 -10.798  18.814   1.780
  147    H    LEU 296           H        LEU 296  -8.965  14.920   3.307
  148    HA   LEU 296           HA       LEU 296  -9.717  13.287   5.556
  149   1HB   LEU 296          1HB       LEU 296  -6.973  13.859   4.435
  150   2HB   LEU 296          2HB       LEU 296  -7.386  12.577   5.556
  151    HG   LEU 296           HG       LEU 296  -8.392  12.787   2.716
  152   1HD1  LEU 296          1HD1      LEU 296  -6.315  10.965   3.924
  153   2HD1  LEU 296          2HD1      LEU 296  -6.001  12.304   2.819
  154   3HD1  LEU 296          3HD1      LEU 296  -6.915  10.901   2.266
  155   1HD2  LEU 296          1HD2      LEU 296  -9.973  11.664   4.193
  156   2HD2  LEU 296          2HD2      LEU 296  -8.693  10.594   4.766
  157   3HD2  LEU 296          3HD2      LEU 296  -9.221  10.516   3.085
  158    H    GLN 297           H        GLN 297  -8.073  13.341   7.490
  159    HA   GLN 297           HA       GLN 297  -8.542  15.707   8.915
  160   1HB   GLN 297          1HB       GLN 297  -6.446  13.594   9.453
  161   2HB   GLN 297          2HB       GLN 297  -7.029  14.783  10.610
  162   1HG   GLN 297          1HG       GLN 297  -9.275  13.803  10.461
  163   2HG   GLN 297          2HG       GLN 297  -8.652  12.586   9.347
  164   1HE2  GLN 297          1HE2      GLN 297  -8.707  13.710  12.632
  165   2HE2  GLN 297          2HE2      GLN 297  -8.026  12.293  13.345
  166    H    ASN 298           H        ASN 298  -7.726  17.626   8.405
  167    HA   ASN 298           HA       ASN 298  -5.104  17.855   7.180
  168   1HB   ASN 298          1HB       ASN 298  -6.965  19.194   6.301
  169   2HB   ASN 298          2HB       ASN 298  -7.150  19.975   7.869
  170   1HD2  ASN 298          1HD2      ASN 298  -5.208  19.707   5.007
  171   2HD2  ASN 298          2HD2      ASN 298  -4.248  21.117   5.279
  172    H    ASN 299           H        ASN 299  -3.431  17.720   8.538
  173    HA   ASN 299           HA       ASN 299  -3.379  19.550  10.828
  174   1HB   ASN 299          1HB       ASN 299  -2.648  16.616  10.917
  175   2HB   ASN 299          2HB       ASN 299  -2.245  17.770  12.183
  176   1HD2  ASN 299          1HD2      ASN 299  -3.965  15.357  12.155
  177   2HD2  ASN 299          2HD2      ASN 299  -5.496  15.888  12.754
  178    H    GLN 300           H        GLN 300  -1.184  17.028   9.610
  179    HA   GLN 300           HA       GLN 300   0.724  19.109   8.827
  180   1HB   GLN 300          1HB       GLN 300   1.423  16.721  10.548
  181   2HB   GLN 300          2HB       GLN 300   2.562  17.899   9.913
  182   1HG   GLN 300          1HG       GLN 300   1.567  19.639  11.224
  183   2HG   GLN 300          2HG       GLN 300   0.322  18.538  11.809
  184   1HE2  GLN 300          1HE2      GLN 300   3.669  19.453  11.996
  185   2HE2  GLN 300          2HE2      GLN 300   4.044  18.564  13.429
  186    HA   PRO 301           HA       PRO 301   1.279  16.421   5.351
  187   1HB   PRO 301          1HB       PRO 301   3.566  17.375   4.329
  188   2HB   PRO 301          2HB       PRO 301   2.081  18.336   4.328
  189   1HG   PRO 301          1HG       PRO 301   4.432  18.480   6.173
  190   2HG   PRO 301          2HG       PRO 301   3.501  19.799   5.441
  191   1HD   PRO 301          1HD       PRO 301   3.144  18.901   8.013
  192   2HD   PRO 301          2HD       PRO 301   1.887  19.712   7.059
  193    H    VAL 302           H        VAL 302   2.699  15.817   8.111
  194    HA   VAL 302           HA       VAL 302   5.118  14.503   7.510
  195    HB   VAL 302           HB       VAL 302   3.207  13.880   9.766
  196   1HG1  VAL 302          1HG1      VAL 302   5.219  13.073  10.922
  197   2HG1  VAL 302          2HG1      VAL 302   6.163  13.366   9.461
  198   3HG1  VAL 302          3HG1      VAL 302   4.883  12.153   9.455
  199   1HG2  VAL 302          1HG2      VAL 302   5.486  15.852   9.642
  200   2HG2  VAL 302          2HG2      VAL 302   4.572  15.435  11.091
  201   3HG2  VAL 302          3HG2      VAL 302   3.771  16.245   9.745
  202    H    GLU 303           H        GLU 303   1.770  13.381   7.603
  203    HA   GLU 303           HA       GLU 303   2.221  10.639   7.336
  204   1HB   GLU 303          1HB       GLU 303  -0.068  12.285   6.242
  205   2HB   GLU 303          2HB       GLU 303  -0.068  10.536   6.416
  206   1HG   GLU 303          1HG       GLU 303   0.171  10.785   8.842
  207   2HG   GLU 303          2HG       GLU 303   0.139  12.538   8.654
  208    H    PHE 304           H        PHE 304   1.676  13.090   4.819
  209    HA   PHE 304           HA       PHE 304   1.883  11.408   2.600
  210   1HB   PHE 304          1HB       PHE 304   1.113  13.834   2.665
  211   2HB   PHE 304          2HB       PHE 304   2.815  14.280   2.676
  212    HD1  PHE 304           HD1      PHE 304   0.283  12.399   0.719
  213    HD2  PHE 304           HD2      PHE 304   3.985  14.495   0.681
  214    HE1  PHE 304           HE1      PHE 304   0.316  12.284  -1.738
  215    HE2  PHE 304           HE2      PHE 304   4.025  14.385  -1.777
  216    HZ   PHE 304           HZ       PHE 304   2.189  13.278  -2.989
  217    H    ASN 305           H        ASN 305   4.350  13.082   4.479
  218    HA   ASN 305           HA       ASN 305   6.541  12.555   2.793
  219   1HB   ASN 305          1HB       ASN 305   6.594  14.208   4.635
  220   2HB   ASN 305          2HB       ASN 305   6.535  12.890   5.802
  221   1HD2  ASN 305          1HD2      ASN 305   8.339  11.597   6.105
  222   2HD2  ASN 305          2HD2      ASN 305   9.906  12.050   5.531
  223    H    HIS 306           H        HIS 306   5.064  10.709   5.413
  224    HA   HIS 306           HA       HIS 306   7.040   8.682   5.525
  225   1HB   HIS 306          1HB       HIS 306   4.136   8.693   6.359
  226   2HB   HIS 306          2HB       HIS 306   5.230   7.350   6.668
  227    HD1  HIS 306           HD1      HIS 306   4.323   8.179   9.193
  228    HD2  HIS 306           HD2      HIS 306   7.235  10.446   7.281
  229    HE1  HIS 306           HE1      HIS 306   5.423   9.530  11.006
  230    HE2  HIS 306           HE2      HIS 306   7.106  10.972   9.809
  231    H    ALA 307           H        ALA 307   4.079   9.086   3.663
  232    HA   ALA 307           HA       ALA 307   3.914   6.501   2.570
  233   1HB   ALA 307          1HB       ALA 307   2.507   7.516   0.848
  234   2HB   ALA 307          2HB       ALA 307   3.026   9.120   1.363
  235   3HB   ALA 307          3HB       ALA 307   2.080   8.108   2.454
  236    H    ILE 308           H        ILE 308   5.426   9.464   1.285
  237    HA   ILE 308           HA       ILE 308   6.431   8.262  -1.070
  238    HB   ILE 308           HB       ILE 308   7.239  10.767   0.398
  239   1HG1  ILE 308          1HG1      ILE 308   5.727  10.258  -2.175
  240   2HG1  ILE 308          2HG1      ILE 308   5.036  10.811  -0.654
  241   1HG2  ILE 308          1HG2      ILE 308   8.561  11.366  -1.588
  242   2HG2  ILE 308          2HG2      ILE 308   8.271   9.759  -2.252
  243   3HG2  ILE 308          3HG2      ILE 308   9.204   9.944  -0.767
  244   1HD1  ILE 308          1HD1      ILE 308   6.304  12.888  -0.834
  245   2HD1  ILE 308          2HD1      ILE 308   5.269  12.633  -2.239
  246   3HD1  ILE 308          3HD1      ILE 308   7.002  12.329  -2.356
  247    H    ASN 309           H        ASN 309   7.993   8.984   2.049
  248    HA   ASN 309           HA       ASN 309  10.546   8.055   1.404
  249   1HB   ASN 309          1HB       ASN 309  10.068   9.364   3.425
  250   2HB   ASN 309          2HB       ASN 309   9.159   8.013   4.094
  251   1HD2  ASN 309          1HD2      ASN 309  10.255   6.187   4.808
  252   2HD2  ASN 309          2HD2      ASN 309  11.954   6.204   5.127
  253    H    TYR 310           H        TYR 310   7.658   6.342   2.371
  254    HA   TYR 310           HA       TYR 310   8.918   3.854   2.942
  255   1HB   TYR 310          1HB       TYR 310   6.671   4.502   3.786
  256   2HB   TYR 310          2HB       TYR 310   6.048   4.391   2.143
  257    HD1  TYR 310           HD1      TYR 310   5.338   2.329   1.265
  258    HD2  TYR 310           HD2      TYR 310   7.594   2.404   4.870
  259    HE1  TYR 310           HE1      TYR 310   4.862  -0.059   1.605
  260    HE2  TYR 310           HE2      TYR 310   7.126   0.018   5.224
  261    HH   TYR 310           HH       TYR 310   5.803  -1.975   2.801
  262    H    VAL 311           H        VAL 311   6.993   4.971   0.157
  263    HA   VAL 311           HA       VAL 311   7.361   2.704  -1.442
  264    HB   VAL 311           HB       VAL 311   6.952   5.554  -2.367
  265   1HG1  VAL 311          1HG1      VAL 311   5.940   4.492  -4.356
  266   2HG1  VAL 311          2HG1      VAL 311   6.458   2.919  -3.747
  267   3HG1  VAL 311          3HG1      VAL 311   7.659   4.134  -4.187
  268   1HG2  VAL 311          1HG2      VAL 311   4.902   3.419  -1.804
  269   2HG2  VAL 311          2HG2      VAL 311   4.589   5.067  -2.349
  270   3HG2  VAL 311          3HG2      VAL 311   5.259   4.781  -0.743
  271    H    ASN 312           H        ASN 312   9.346   5.548  -0.955
  272    HA   ASN 312           HA       ASN 312  11.137   5.001  -3.120
  273   1HB   ASN 312          1HB       ASN 312  10.830   7.285  -2.254
  274   2HB   ASN 312          2HB       ASN 312  11.491   6.786  -0.699
  275   1HD2  ASN 312          1HD2      ASN 312  12.689   5.692  -3.799
  276   2HD2  ASN 312          2HD2      ASN 312  14.215   6.498  -3.708
  277    H    LYS 313           H        LYS 313  10.987   4.235   0.294
  278    HA   LYS 313           HA       LYS 313  13.634   3.341   0.635
  279   1HB   LYS 313          1HB       LYS 313  12.111   3.821   2.511
  280   2HB   LYS 313          2HB       LYS 313  11.127   2.434   2.064
  281   1HG   LYS 313          1HG       LYS 313  13.080   0.971   2.479
  282   2HG   LYS 313          2HG       LYS 313  13.972   2.384   3.045
  283   1HD   LYS 313          1HD       LYS 313  12.275   2.734   4.792
  284   2HD   LYS 313          2HD       LYS 313  11.423   1.292   4.236
  285   1HE   LYS 313          1HE       LYS 313  14.222   1.398   5.356
  286   2HE   LYS 313          2HE       LYS 313  12.792   0.777   6.177
  287   1HZ   LYS 313          1HZ       LYS 313  13.999  -0.345   3.706
  288   2HZ   LYS 313          2HZ       LYS 313  12.612  -0.936   4.473
  289   3HZ   LYS 313          3HZ       LYS 313  14.108  -1.015   5.256
  290    H    ILE 314           H        ILE 314  10.656   1.617  -0.233
  291    HA   ILE 314           HA       ILE 314  11.933  -0.927  -0.468
  292    HB   ILE 314           HB       ILE 314   9.288  -0.019  -1.615
  293   1HG1  ILE 314          1HG1      ILE 314   9.886  -1.482   0.969
  294   2HG1  ILE 314          2HG1      ILE 314   9.444   0.218   0.850
  295   1HG2  ILE 314          1HG2      ILE 314  10.410  -2.782  -1.159
  296   2HG2  ILE 314          2HG2      ILE 314  10.103  -2.015  -2.716
  297   3HG2  ILE 314          3HG2      ILE 314   8.756  -2.428  -1.656
  298   1HD1  ILE 314          1HD1      ILE 314   7.273  -0.389  -0.039
  299   2HD1  ILE 314          2HD1      ILE 314   7.559  -1.184   1.510
  300   3HD1  ILE 314          3HD1      ILE 314   7.715  -2.096   0.009
  301    H    LYS 315           H        LYS 315  11.027   1.622  -2.735
  302    HA   LYS 315           HA       LYS 315  11.580   0.236  -5.116
  303   1HB   LYS 315          1HB       LYS 315  10.314   2.381  -4.934
  304   2HB   LYS 315          2HB       LYS 315  11.836   3.208  -4.634
  305   1HG   LYS 315          1HG       LYS 315  12.647   2.554  -6.829
  306   2HG   LYS 315          2HG       LYS 315  11.148   1.672  -7.130
  307   1HD   LYS 315          1HD       LYS 315   9.895   3.792  -6.878
  308   2HD   LYS 315          2HD       LYS 315  11.429   4.645  -6.691
  309   1HE   LYS 315          1HE       LYS 315  10.623   4.839  -8.972
  310   2HE   LYS 315          2HE       LYS 315  12.110   3.893  -8.922
  311   1HZ   LYS 315          1HZ       LYS 315   9.364   2.774  -9.098
  312   2HZ   LYS 315          2HZ       LYS 315  10.798   1.877  -9.080
  313   3HZ   LYS 315          3HZ       LYS 315  10.457   2.899 -10.384
  314    H    ASN 316           H        ASN 316  13.649   2.014  -2.906
  315    HA   ASN 316           HA       ASN 316  15.929   1.934  -4.671
  316   1HB   ASN 316          1HB       ASN 316  15.684   3.802  -3.125
  317   2HB   ASN 316          2HB       ASN 316  15.698   2.698  -1.752
  318   1HD2  ASN 316          1HD2      ASN 316  17.629   1.701  -1.155
  319   2HD2  ASN 316          2HD2      ASN 316  19.163   2.295  -1.680
  320    H    ARG 317           H        ARG 317  14.821   0.194  -1.803
  321    HA   ARG 317           HA       ARG 317  17.126  -1.289  -1.282
  322   1HB   ARG 317          1HB       ARG 317  15.156  -1.137   0.220
  323   2HB   ARG 317          2HB       ARG 317  14.262  -2.170  -0.886
  324   1HG   ARG 317          1HG       ARG 317  15.052  -3.491   0.945
  325   2HG   ARG 317          2HG       ARG 317  15.937  -3.951  -0.510
  326   1HD   ARG 317          1HD       ARG 317  17.828  -2.588   0.186
  327   2HD   ARG 317          2HD       ARG 317  16.941  -2.059   1.615
  328    HE   ARG 317           HE       ARG 317  17.192  -4.906   1.449
  329   1HH1  ARG 317          1HH1      ARG 317  18.797  -1.971   2.425
  330   2HH1  ARG 317          2HH1      ARG 317  19.804  -2.758   3.593
  331   1HH2  ARG 317          1HH2      ARG 317  18.510  -5.950   2.984
  332   2HH2  ARG 317          2HH2      ARG 317  19.640  -5.021   3.912
  333    H    PHE 318           H        PHE 318  14.234  -2.350  -3.085
  334    HA   PHE 318           HA       PHE 318  15.752  -4.566  -4.210
  335   1HB   PHE 318          1HB       PHE 318  12.834  -3.823  -4.507
  336   2HB   PHE 318          2HB       PHE 318  13.578  -5.295  -5.124
  337    HD1  PHE 318           HD1      PHE 318  12.362  -3.549  -2.169
  338    HD2  PHE 318           HD2      PHE 318  14.272  -7.068  -3.607
  339    HE1  PHE 318           HE1      PHE 318  11.921  -4.660  -0.020
  340    HE2  PHE 318           HE2      PHE 318  13.833  -8.188  -1.461
  341    HZ   PHE 318           HZ       PHE 318  12.656  -6.984   0.337
  342    H    GLN 319           H        GLN 319  16.662  -2.074  -5.054
  343    HA   GLN 319           HA       GLN 319  15.554  -1.174  -7.478
  344   1HB   GLN 319          1HB       GLN 319  17.200   0.087  -6.085
  345   2HB   GLN 319          2HB       GLN 319  18.450  -1.027  -6.623
  346   1HG   GLN 319          1HG       GLN 319  18.045  -0.324  -8.946
  347   2HG   GLN 319          2HG       GLN 319  16.851   0.836  -8.364
  348   1HE2  GLN 319          1HE2      GLN 319  18.432   1.441  -5.968
  349   2HE2  GLN 319          2HE2      GLN 319  19.729   2.449  -6.503
  350    H    GLY 320           H        GLY 320  17.548  -3.891  -6.715
  351   1HA   GLY 320          1HA       GLY 320  18.494  -4.300  -9.411
  352   2HA   GLY 320          2HA       GLY 320  18.700  -5.396  -8.052
  353    H    GLN 321           H        GLN 321  16.066  -5.822  -7.313
  354    HA   GLN 321           HA       GLN 321  15.088  -7.342  -9.625
  355   1HB   GLN 321          1HB       GLN 321  14.683  -7.703  -6.657
  356   2HB   GLN 321          2HB       GLN 321  13.791  -8.612  -7.866
  357   1HG   GLN 321          1HG       GLN 321  15.589  -9.965  -7.109
  358   2HG   GLN 321          2HG       GLN 321  15.959  -9.446  -8.751
  359   1HE2  GLN 321          1HE2      GLN 321  16.247  -7.361  -5.966
  360   2HE2  GLN 321          2HE2      GLN 321  17.971  -7.256  -5.977
  361    HA   PRO 322           HA       PRO 322  11.915  -4.042  -9.387
  362   1HB   PRO 322          1HB       PRO 322  11.095  -4.294 -11.962
  363   2HB   PRO 322          2HB       PRO 322  12.510  -3.345 -11.493
  364   1HG   PRO 322          1HG       PRO 322  12.374  -6.125 -12.595
  365   2HG   PRO 322          2HG       PRO 322  13.488  -4.810 -13.012
  366   1HD   PRO 322          1HD       PRO 322  14.182  -6.834 -11.354
  367   2HD   PRO 322          2HD       PRO 322  14.824  -5.189 -11.172
  368    H    ASP 323           H        ASP 323  11.802  -7.394  -9.958
  369    HA   ASP 323           HA       ASP 323   9.043  -7.721 -10.503
  370   1HB   ASP 323          1HB       ASP 323  11.044  -9.626  -9.271
  371   2HB   ASP 323          2HB       ASP 323   9.424 -10.080  -9.795
  372    H    ILE 324           H        ILE 324  10.915  -7.594  -7.518
  373    HA   ILE 324           HA       ILE 324   8.833  -8.362  -5.769
  374    HB   ILE 324           HB       ILE 324  11.165  -6.564  -5.105
  375   1HG1  ILE 324          1HG1      ILE 324  11.959  -8.605  -6.217
  376   2HG1  ILE 324          2HG1      ILE 324  12.384  -8.612  -4.508
  377   1HG2  ILE 324          1HG2      ILE 324   9.496  -8.406  -3.399
  378   2HG2  ILE 324          2HG2      ILE 324   9.459  -6.642  -3.382
  379   3HG2  ILE 324          3HG2      ILE 324  10.906  -7.500  -2.850
  380   1HD1  ILE 324          1HD1      ILE 324  10.506 -10.117  -4.060
  381   2HD1  ILE 324          2HD1      ILE 324  11.641 -10.798  -5.224
  382   3HD1  ILE 324          3HD1      ILE 324  10.112 -10.120  -5.780
  383    H    TYR 325           H        TYR 325  10.145  -5.133  -6.527
  384    HA   TYR 325           HA       TYR 325   8.299  -3.648  -5.050
  385   1HB   TYR 325          1HB       TYR 325  10.372  -2.699  -5.939
  386   2HB   TYR 325          2HB       TYR 325   9.772  -2.884  -7.581
  387    HD1  TYR 325           HD1      TYR 325   8.686  -1.307  -4.362
  388    HD2  TYR 325           HD2      TYR 325   8.945  -0.996  -8.598
  389    HE1  TYR 325           HE1      TYR 325   7.714   0.951  -4.252
  390    HE2  TYR 325           HE2      TYR 325   7.975   1.259  -8.498
  391    HH   TYR 325           HH       TYR 325   6.564   2.590  -6.985
  392    H    LYS 326           H        LYS 326   8.222  -4.640  -8.457
  393    HA   LYS 326           HA       LYS 326   5.835  -3.350  -9.162
  394   1HB   LYS 326          1HB       LYS 326   7.459  -4.333 -10.772
  395   2HB   LYS 326          2HB       LYS 326   6.927  -5.936 -10.285
  396   1HG   LYS 326          1HG       LYS 326   4.705  -5.498 -11.129
  397   2HG   LYS 326          2HG       LYS 326   5.158  -3.841 -11.531
  398   1HD   LYS 326          1HD       LYS 326   6.461  -6.298 -12.702
  399   2HD   LYS 326          2HD       LYS 326   5.160  -5.394 -13.480
  400   1HE   LYS 326          1HE       LYS 326   7.856  -4.275 -12.714
  401   2HE   LYS 326          2HE       LYS 326   7.380  -4.770 -14.337
  402   1HZ   LYS 326          1HZ       LYS 326   7.181  -2.375 -14.013
  403   2HZ   LYS 326          2HZ       LYS 326   6.079  -2.620 -12.754
  404   3HZ   LYS 326          3HZ       LYS 326   5.674  -3.075 -14.333
  405    H    ALA 327           H        ALA 327   6.451  -6.491  -7.693
  406    HA   ALA 327           HA       ALA 327   3.802  -7.479  -7.887
  407   1HB   ALA 327          1HB       ALA 327   4.502  -9.143  -6.250
  408   2HB   ALA 327          2HB       ALA 327   5.954  -8.205  -5.899
  409   3HB   ALA 327          3HB       ALA 327   5.736  -8.932  -7.491
  410    H    PHE 328           H        PHE 328   5.506  -5.566  -5.469
  411    HA   PHE 328           HA       PHE 328   3.563  -5.688  -3.436
  412   1HB   PHE 328          1HB       PHE 328   5.861  -4.902  -3.053
  413   2HB   PHE 328          2HB       PHE 328   5.550  -3.488  -4.051
  414    HD1  PHE 328           HD1      PHE 328   5.539  -1.611  -2.743
  415    HD2  PHE 328           HD2      PHE 328   3.619  -5.126  -1.301
  416    HE1  PHE 328           HE1      PHE 328   4.776  -0.375  -0.758
  417    HE2  PHE 328           HE2      PHE 328   2.855  -3.892   0.686
  418    HZ   PHE 328           HZ       PHE 328   3.433  -1.517   0.960
  419    H    LEU 329           H        LEU 329   4.180  -3.120  -5.840
  420    HA   LEU 329           HA       LEU 329   1.943  -1.559  -5.214
  421   1HB   LEU 329          1HB       LEU 329   3.428  -1.868  -7.824
  422   2HB   LEU 329          2HB       LEU 329   2.201  -0.651  -7.541
  423    HG   LEU 329           HG       LEU 329   4.838  -0.878  -6.086
  424   1HD1  LEU 329          1HD1      LEU 329   3.823   1.072  -8.147
  425   2HD1  LEU 329          2HD1      LEU 329   5.145  -0.082  -8.334
  426   3HD1  LEU 329          3HD1      LEU 329   5.308   1.274  -7.218
  427   1HD2  LEU 329          1HD2      LEU 329   2.634   1.166  -5.826
  428   2HD2  LEU 329          2HD2      LEU 329   4.219   1.262  -5.060
  429   3HD2  LEU 329          3HD2      LEU 329   3.100  -0.025  -4.611
  430    H    GLU 330           H        GLU 330   2.328  -4.324  -7.340
  431    HA   GLU 330           HA       GLU 330  -0.102  -4.194  -8.714
  432   1HB   GLU 330          1HB       GLU 330   1.744  -5.711  -9.320
  433   2HB   GLU 330          2HB       GLU 330   1.442  -6.654  -7.868
  434   1HG   GLU 330          1HG       GLU 330   0.502  -7.724  -9.837
  435   2HG   GLU 330          2HG       GLU 330  -0.758  -7.262  -8.693
  436    H    ILE 331           H        ILE 331   0.712  -5.884  -5.688
  437    HA   ILE 331           HA       ILE 331  -1.827  -6.975  -5.215
  438    HB   ILE 331           HB       ILE 331   0.318  -6.183  -3.240
  439   1HG1  ILE 331          1HG1      ILE 331  -0.404  -8.880  -4.407
  440   2HG1  ILE 331          2HG1      ILE 331   0.956  -7.892  -4.927
  441   1HG2  ILE 331          1HG2      ILE 331  -0.819  -7.725  -1.682
  442   2HG2  ILE 331          2HG2      ILE 331  -2.141  -7.881  -2.838
  443   3HG2  ILE 331          3HG2      ILE 331  -1.804  -6.319  -2.090
  444   1HD1  ILE 331          1HD1      ILE 331   1.665  -9.672  -3.434
  445   2HD1  ILE 331          2HD1      ILE 331   0.581  -9.067  -2.182
  446   3HD1  ILE 331          3HD1      ILE 331   1.951  -8.090  -2.711
  447    H    LEU 332           H        LEU 332  -0.367  -3.936  -4.069
  448    HA   LEU 332           HA       LEU 332  -2.533  -3.065  -2.527
  449   1HB   LEU 332          1HB       LEU 332  -0.567  -1.364  -4.060
  450   2HB   LEU 332          2HB       LEU 332  -1.575  -0.831  -2.729
  451    HG   LEU 332           HG       LEU 332   0.575  -2.932  -2.485
  452   1HD1  LEU 332          1HD1      LEU 332   1.600  -0.820  -3.009
  453   2HD1  LEU 332          2HD1      LEU 332   1.828  -1.161  -1.295
  454   3HD1  LEU 332          3HD1      LEU 332   0.608   0.004  -1.807
  455   1HD2  LEU 332          1HD2      LEU 332  -1.032  -1.447  -0.407
  456   2HD2  LEU 332          2HD2      LEU 332   0.274  -2.586  -0.083
  457   3HD2  LEU 332          3HD2      LEU 332  -1.215  -3.147  -0.842
  458    H    HIS 333           H        HIS 333  -1.836  -2.671  -5.968
  459    HA   HIS 333           HA       HIS 333  -3.908  -0.879  -6.583
  460   1HB   HIS 333          1HB       HIS 333  -2.218  -2.775  -8.132
  461   2HB   HIS 333          2HB       HIS 333  -3.691  -2.198  -8.903
  462    HD1  HIS 333           HD1      HIS 333  -3.892   0.546  -8.915
  463    HD2  HIS 333           HD2      HIS 333  -0.108  -1.104  -8.441
  464    HE1  HIS 333           HE1      HIS 333  -2.279   2.389  -9.483
  465    HE2  HIS 333           HE2      HIS 333   0.005   1.384  -9.138
  466    H    THR 334           H        THR 334  -3.805  -4.417  -6.544
  467    HA   THR 334           HA       THR 334  -6.429  -4.833  -7.498
  468    HB   THR 334           HB       THR 334  -4.775  -6.616  -5.693
  469    HG1  THR 334           HG1      THR 334  -4.973  -7.370  -8.293
  470   1HG2  THR 334          1HG2      THR 334  -7.123  -7.258  -5.676
  471   2HG2  THR 334          2HG2      THR 334  -6.180  -8.432  -6.593
  472   3HG2  THR 334          3HG2      THR 334  -7.161  -7.236  -7.440
  473    H    TYR 335           H        TYR 335  -5.101  -4.221  -4.316
  474    HA   TYR 335           HA       TYR 335  -7.343  -4.906  -2.762
  475   1HB   TYR 335          1HB       TYR 335  -5.133  -4.550  -1.779
  476   2HB   TYR 335          2HB       TYR 335  -5.178  -2.854  -2.245
  477    HD1  TYR 335           HD1      TYR 335  -6.509  -1.257  -1.002
  478    HD2  TYR 335           HD2      TYR 335  -6.463  -5.366   0.098
  479    HE1  TYR 335           HE1      TYR 335  -7.539  -0.684   1.155
  480    HE2  TYR 335           HE2      TYR 335  -7.497  -4.804   2.257
  481    HH   TYR 335           HH       TYR 335  -8.871  -1.767   2.904
  482    H    GLN 336           H        GLN 336  -6.264  -1.705  -3.906
  483    HA   GLN 336           HA       GLN 336  -8.523  -0.293  -3.004
  484   1HB   GLN 336          1HB       GLN 336  -6.153   0.470  -3.957
  485   2HB   GLN 336          2HB       GLN 336  -7.080   0.636  -5.440
  486   1HG   GLN 336          1HG       GLN 336  -7.691   1.986  -2.819
  487   2HG   GLN 336          2HG       GLN 336  -6.935   2.739  -4.221
  488   1HE2  GLN 336          1HE2      GLN 336  -9.876   1.593  -2.817
  489   2HE2  GLN 336          2HE2      GLN 336 -10.946   2.237  -4.011
  490    H    LYS 337           H        LYS 337  -7.838  -1.981  -6.011
  491    HA   LYS 337           HA       LYS 337  -9.970  -1.015  -7.548
  492   1HB   LYS 337          1HB       LYS 337  -8.158  -2.247  -8.563
  493   2HB   LYS 337          2HB       LYS 337  -8.554  -3.681  -7.628
  494   1HG   LYS 337          1HG       LYS 337 -10.705  -3.833  -8.811
  495   2HG   LYS 337          2HG       LYS 337 -10.251  -2.428  -9.777
  496   1HD   LYS 337          1HD       LYS 337  -8.672  -4.995  -9.663
  497   2HD   LYS 337          2HD       LYS 337  -9.858  -4.614 -10.912
  498   1HE   LYS 337          1HE       LYS 337  -7.358  -3.039 -10.298
  499   2HE   LYS 337          2HE       LYS 337  -7.582  -4.132 -11.664
  500   1HZ   LYS 337          1HZ       LYS 337  -9.075  -1.615 -11.158
  501   2HZ   LYS 337          2HZ       LYS 337  -9.398  -2.687 -12.426
  502   3HZ   LYS 337          3HZ       LYS 337  -7.916  -1.873 -12.364
  503    H    GLU 338           H        GLU 338  -9.763  -3.957  -5.552
  504    HA   GLU 338           HA       GLU 338 -12.404  -4.811  -6.001
  505   1HB   GLU 338          1HB       GLU 338 -10.540  -5.349  -3.684
  506   2HB   GLU 338          2HB       GLU 338 -12.067  -6.182  -3.937
  507   1HG   GLU 338          1HG       GLU 338  -9.758  -6.194  -5.869
  508   2HG   GLU 338          2HG       GLU 338 -10.113  -7.470  -4.705
  509    H    GLN 339           H        GLN 339 -10.991  -2.826  -3.419
  510    HA   GLN 339           HA       GLN 339 -13.311  -2.576  -1.856
  511   1HB   GLN 339          1HB       GLN 339 -10.964  -0.698  -2.179
  512   2HB   GLN 339          2HB       GLN 339 -12.205  -0.524  -0.946
  513   1HG   GLN 339          1HG       GLN 339 -10.502  -2.983  -1.227
  514   2HG   GLN 339          2HG       GLN 339 -10.062  -1.609  -0.215
  515   1HE2  GLN 339          1HE2      GLN 339 -10.132  -2.804   1.668
  516   2HE2  GLN 339          2HE2      GLN 339 -11.613  -3.351   2.371
  517    H    ARG 340           H        ARG 340 -12.122  -0.714  -4.602
  518    HA   ARG 340           HA       ARG 340 -14.013   1.378  -4.446
  519   1HB   ARG 340          1HB       ARG 340 -11.943   1.567  -5.746
  520   2HB   ARG 340          2HB       ARG 340 -12.510   0.318  -6.847
  521   1HG   ARG 340          1HG       ARG 340 -14.423   1.806  -7.432
  522   2HG   ARG 340          2HG       ARG 340 -13.665   3.068  -6.461
  523   1HD   ARG 340          1HD       ARG 340 -12.427   1.700  -8.847
  524   2HD   ARG 340          2HD       ARG 340 -13.146   3.309  -8.845
  525    HE   ARG 340           HE       ARG 340 -11.187   3.280  -6.874
  526   1HH1  ARG 340          1HH1      ARG 340 -11.398   2.944 -10.336
  527   2HH1  ARG 340          2HH1      ARG 340  -9.819   3.594 -10.626
  528   1HH2  ARG 340          1HH2      ARG 340  -9.108   4.144  -7.247
  529   2HH2  ARG 340          2HH2      ARG 340  -8.518   4.278  -8.871
  530    H    ASN 341           H        ASN 341 -13.908  -1.495  -6.553
  531    HA   ASN 341           HA       ASN 341 -16.394  -1.101  -7.773
  532   1HB   ASN 341          1HB       ASN 341 -14.799  -3.614  -7.273
  533   2HB   ASN 341          2HB       ASN 341 -16.288  -3.600  -8.209
  534   1HD2  ASN 341          1HD2      ASN 341 -13.956  -0.992  -8.228
  535   2HD2  ASN 341          2HD2      ASN 341 -13.426  -1.225  -9.854
  536    H    ALA 342           H        ALA 342 -15.553  -2.477  -4.681
  537    HA   ALA 342           HA       ALA 342 -18.012  -3.813  -4.197
  538   1HB   ALA 342          1HB       ALA 342 -17.275  -3.917  -1.868
  539   2HB   ALA 342          2HB       ALA 342 -15.976  -2.777  -2.226
  540   3HB   ALA 342          3HB       ALA 342 -15.980  -4.375  -2.973
  541    H    LYS 343           H        LYS 343 -16.741  -0.710  -2.975
  542    HA   LYS 343           HA       LYS 343 -19.214   0.024  -1.761
  543   1HB   LYS 343          1HB       LYS 343 -16.827   1.734  -2.473
  544   2HB   LYS 343          2HB       LYS 343 -18.146   2.213  -1.414
  545   1HG   LYS 343          1HG       LYS 343 -17.538   0.341   0.098
  546   2HG   LYS 343          2HG       LYS 343 -16.142   0.021  -0.931
  547   1HD   LYS 343          1HD       LYS 343 -16.659   2.690   0.365
  548   2HD   LYS 343          2HD       LYS 343 -15.699   1.419   1.124
  549   1HE   LYS 343          1HE       LYS 343 -14.126   2.801   0.075
  550   2HE   LYS 343          2HE       LYS 343 -14.310   1.429  -1.017
  551   1HZ   LYS 343          1HZ       LYS 343 -14.296   3.623  -2.135
  552   2HZ   LYS 343          2HZ       LYS 343 -15.740   4.010  -1.346
  553   3HZ   LYS 343          3HZ       LYS 343 -15.694   2.723  -2.442
  554    H    GLU 344           H        GLU 344 -18.059   0.129  -4.956
  555    HA   GLU 344           HA       GLU 344 -19.770   2.340  -5.756
  556   1HB   GLU 344          1HB       GLU 344 -17.513   2.028  -6.761
  557   2HB   GLU 344          2HB       GLU 344 -18.070   0.519  -7.470
  558   1HG   GLU 344          1HG       GLU 344 -18.115   2.281  -9.114
  559   2HG   GLU 344          2HG       GLU 344 -19.756   1.753  -8.749
  560    H    ALA 345           H        ALA 345 -19.759  -1.130  -5.733
  561    HA   ALA 345           HA       ALA 345 -21.759  -1.575  -7.684
  562   1HB   ALA 345          1HB       ALA 345 -21.014  -3.284  -5.312
  563   2HB   ALA 345          2HB       ALA 345 -20.257  -3.342  -6.903
  564   3HB   ALA 345          3HB       ALA 345 -21.949  -3.804  -6.715
  565    H    GLY 346           H        GLY 346 -21.863  -0.793  -4.270
  566   1HA   GLY 346          1HA       GLY 346 -23.607  -0.043  -2.970
  567   2HA   GLY 346          2HA       GLY 346 -24.577   0.056  -4.431
  568    H    GLY 347           H        GLY 347 -23.995  -1.647  -1.552
  569   1HA   GLY 347          1HA       GLY 347 -25.862  -3.030  -0.767
  570   2HA   GLY 347          2HA       GLY 347 -25.942  -3.709  -2.385
  571    H    ASN 348           H        ASN 348 -25.623  -5.832  -1.837
  572    HA   ASN 348           HA       ASN 348 -23.362  -6.579  -0.182
  573   1HB   ASN 348          1HB       ASN 348 -25.399  -8.291  -1.624
  574   2HB   ASN 348          2HB       ASN 348 -24.185  -8.887  -0.496
  575   1HD2  ASN 348          1HD2      ASN 348 -27.141  -7.099  -0.851
  576   2HD2  ASN 348          2HD2      ASN 348 -27.577  -7.095   0.820
  577    H    TYR 349           H        TYR 349 -21.487  -7.468  -0.862
  578    HA   TYR 349           HA       TYR 349 -21.124  -8.501  -3.509
  579   1HB   TYR 349          1HB       TYR 349 -21.043  -6.079  -3.975
  580   2HB   TYR 349          2HB       TYR 349 -19.751  -5.900  -2.791
  581    HD1  TYR 349           HD1      TYR 349 -17.503  -6.263  -3.396
  582    HD2  TYR 349           HD2      TYR 349 -20.610  -7.486  -6.035
  583    HE1  TYR 349           HE1      TYR 349 -15.835  -6.705  -5.148
  584    HE2  TYR 349           HE2      TYR 349 -18.949  -7.932  -7.791
  585    HH   TYR 349           HH       TYR 349 -15.617  -8.069  -7.181
  586    H    THR 350           H        THR 350 -19.590 -10.021  -3.433
  587    HA   THR 350           HA       THR 350 -17.793 -10.030  -1.108
  588    HB   THR 350           HB       THR 350 -19.087 -12.004  -1.062
  589    HG1  THR 350           HG1      THR 350 -17.080 -13.357  -2.252
  590   1HG2  THR 350          1HG2      THR 350 -18.433 -12.306  -3.993
  591   2HG2  THR 350          2HG2      THR 350 -20.020 -12.028  -3.273
  592   3HG2  THR 350          3HG2      THR 350 -19.190 -13.562  -3.015
  593    HA   PRO 351           HA       PRO 351 -14.720  -9.240  -4.344
  594   1HB   PRO 351          1HB       PRO 351 -12.951  -8.339  -2.255
  595   2HB   PRO 351          2HB       PRO 351 -13.764  -7.378  -3.490
  596   1HG   PRO 351          1HG       PRO 351 -14.336  -7.253  -0.805
  597   2HG   PRO 351          2HG       PRO 351 -15.467  -6.800  -2.092
  598   1HD   PRO 351          1HD       PRO 351 -15.321  -9.320  -0.489
  599   2HD   PRO 351          2HD       PRO 351 -16.746  -8.421  -1.054
  600    H    ALA 352           H        ALA 352 -12.131  -9.592  -4.088
  601    HA   ALA 352           HA       ALA 352 -11.788 -12.285  -2.940
  602   1HB   ALA 352          1HB       ALA 352 -10.275 -12.804  -4.795
  603   2HB   ALA 352          2HB       ALA 352 -10.589 -11.215  -5.494
  604   3HB   ALA 352          3HB       ALA 352 -11.892 -12.398  -5.370
  605    H    LEU 353           H        LEU 353 -10.520  -9.095  -3.362
  606    HA   LEU 353           HA       LEU 353  -8.128  -9.833  -1.805
  607   1HB   LEU 353          1HB       LEU 353  -8.030  -8.751  -4.217
  608   2HB   LEU 353          2HB       LEU 353  -8.309  -7.268  -3.326
  609    HG   LEU 353           HG       LEU 353  -5.938  -7.577  -3.744
  610   1HD1  LEU 353          1HD1      LEU 353  -6.619  -6.477  -1.661
  611   2HD1  LEU 353          2HD1      LEU 353  -5.093  -7.342  -1.485
  612   3HD1  LEU 353          3HD1      LEU 353  -6.578  -8.034  -0.835
  613   1HD2  LEU 353          1HD2      LEU 353  -4.708  -9.444  -2.736
  614   2HD2  LEU 353          2HD2      LEU 353  -5.880  -9.994  -3.934
  615   3HD2  LEU 353          3HD2      LEU 353  -6.234 -10.158  -2.215
  616    H    THR 354           H        THR 354  -8.105  -9.144   0.228
  617    HA   THR 354           HA       THR 354  -9.381  -6.598   0.909
  618    HB   THR 354           HB       THR 354 -10.308  -7.660   3.006
  619    HG1  THR 354           HG1      THR 354 -10.118  -9.759   3.271
  620   1HG2  THR 354          1HG2      THR 354 -12.309  -8.556   1.886
  621   2HG2  THR 354          2HG2      THR 354 -11.427  -8.590   0.360
  622   3HG2  THR 354          3HG2      THR 354 -11.762  -7.049   1.149
  623    H    GLU 355           H        GLU 355  -9.024  -6.546   3.585
  624    HA   GLU 355           HA       GLU 355  -6.337  -5.881   3.897
  625   1HB   GLU 355          1HB       GLU 355  -8.288  -6.637   6.081
  626   2HB   GLU 355          2HB       GLU 355  -6.814  -5.699   6.283
  627   1HG   GLU 355          1HG       GLU 355  -7.758  -3.945   4.841
  628   2HG   GLU 355          2HG       GLU 355  -9.250  -4.877   4.717
  629    H    GLN 356           H        GLN 356  -8.043  -8.877   4.566
  630    HA   GLN 356           HA       GLN 356  -6.012 -10.176   6.022
  631   1HB   GLN 356          1HB       GLN 356  -8.353 -11.137   4.404
  632   2HB   GLN 356          2HB       GLN 356  -7.217 -12.280   5.106
  633   1HG   GLN 356          1HG       GLN 356  -8.863 -10.253   6.604
  634   2HG   GLN 356          2HG       GLN 356  -9.154 -11.990   6.533
  635   1HE2  GLN 356          1HE2      GLN 356  -7.183  -9.462   7.854
  636   2HE2  GLN 356          2HE2      GLN 356  -6.370 -10.428   9.033
  637    H    GLU 357           H        GLU 357  -6.876 -10.383   2.580
  638    HA   GLU 357           HA       GLU 357  -4.902 -12.137   1.750
  639   1HB   GLU 357          1HB       GLU 357  -6.087  -9.812   0.224
  640   2HB   GLU 357          2HB       GLU 357  -5.206 -11.152  -0.494
  641   1HG   GLU 357          1HG       GLU 357  -7.804 -11.359   1.008
  642   2HG   GLU 357          2HG       GLU 357  -7.613 -11.412  -0.743
  643    H    VAL 358           H        VAL 358  -4.771  -8.566   1.752
  644    HA   VAL 358           HA       VAL 358  -2.160  -8.340   0.796
  645    HB   VAL 358           HB       VAL 358  -4.010  -6.524   2.239
  646   1HG1  VAL 358          1HG1      VAL 358  -1.030  -6.054   2.138
  647   2HG1  VAL 358          2HG1      VAL 358  -2.060  -6.090   3.567
  648   3HG1  VAL 358          3HG1      VAL 358  -2.219  -4.779   2.399
  649   1HG2  VAL 358          1HG2      VAL 358  -2.175  -5.978  -0.077
  650   2HG2  VAL 358          2HG2      VAL 358  -3.674  -5.148   0.354
  651   3HG2  VAL 358          3HG2      VAL 358  -3.727  -6.798  -0.272
  652    H    TYR 359           H        TYR 359  -3.233  -8.129   4.207
  653    HA   TYR 359           HA       TYR 359  -0.792  -7.870   5.401
  654   1HB   TYR 359          1HB       TYR 359  -3.200  -8.062   6.418
  655   2HB   TYR 359          2HB       TYR 359  -2.759  -9.754   6.636
  656    HD1  TYR 359           HD1      TYR 359  -0.678 -10.292   7.990
  657    HD2  TYR 359           HD2      TYR 359  -2.423  -6.413   7.896
  658    HE1  TYR 359           HE1      TYR 359   0.536  -9.701  10.046
  659    HE2  TYR 359           HE2      TYR 359  -1.216  -5.814   9.952
  660    HH   TYR 359           HH       TYR 359  -0.190  -6.944  11.878
  661    H    ALA 360           H        ALA 360  -2.352 -10.964   4.561
  662    HA   ALA 360           HA       ALA 360  -0.305 -12.610   5.544
  663   1HB   ALA 360          1HB       ALA 360  -2.276 -13.196   3.340
  664   2HB   ALA 360          2HB       ALA 360  -2.557 -13.414   5.067
  665   3HB   ALA 360          3HB       ALA 360  -1.340 -14.388   4.243
  666    H    GLN 361           H        GLN 361  -0.995 -11.996   2.074
  667    HA   GLN 361           HA       GLN 361   1.413 -13.139   1.174
  668   1HB   GLN 361          1HB       GLN 361  -0.287 -11.071  -0.223
  669   2HB   GLN 361          2HB       GLN 361   0.862 -12.167  -0.980
  670   1HG   GLN 361          1HG       GLN 361  -1.504 -13.151   0.575
  671   2HG   GLN 361          2HG       GLN 361  -1.591 -12.766  -1.141
  672   1HE2  GLN 361          1HE2      GLN 361  -0.477 -14.050  -2.619
  673   2HE2  GLN 361          2HE2      GLN 361   0.112 -15.621  -2.208
  674    H    VAL 362           H        VAL 362   0.516  -9.703   1.446
  675    HA   VAL 362           HA       VAL 362   2.911  -8.612   0.577
  676    HB   VAL 362           HB       VAL 362   0.989  -7.471   2.610
  677   1HG1  VAL 362          1HG1      VAL 362   3.001  -6.227   2.786
  678   2HG1  VAL 362          2HG1      VAL 362   1.889  -5.279   1.795
  679   3HG1  VAL 362          3HG1      VAL 362   3.201  -6.183   1.034
  680   1HG2  VAL 362          1HG2      VAL 362   1.170  -7.069  -0.373
  681   2HG2  VAL 362          2HG2      VAL 362   0.017  -6.295   0.716
  682   3HG2  VAL 362          3HG2      VAL 362  -0.045  -8.039   0.462
  683    H    ALA 363           H        ALA 363   2.038  -9.802   3.802
  684    HA   ALA 363           HA       ALA 363   4.400  -8.814   5.067
  685   1HB   ALA 363          1HB       ALA 363   2.567 -11.065   5.900
  686   2HB   ALA 363          2HB       ALA 363   2.436  -9.375   6.388
  687   3HB   ALA 363          3HB       ALA 363   3.820 -10.336   6.907
  688    H    ARG 364           H        ARG 364   3.483 -11.852   3.539
  689    HA   ARG 364           HA       ARG 364   5.700 -13.399   4.214
  690   1HB   ARG 364          1HB       ARG 364   3.675 -14.294   3.126
  691   2HB   ARG 364          2HB       ARG 364   4.106 -13.453   1.642
  692   1HG   ARG 364          1HG       ARG 364   6.198 -14.793   1.564
  693   2HG   ARG 364          2HG       ARG 364   5.608 -15.707   2.953
  694   1HD   ARG 364          1HD       ARG 364   4.251 -15.479   0.268
  695   2HD   ARG 364          2HD       ARG 364   5.148 -16.877   0.858
  696    HE   ARG 364           HE       ARG 364   3.149 -16.315   2.714
  697   1HH1  ARG 364          1HH1      ARG 364   3.424 -17.354  -0.602
  698   2HH1  ARG 364          2HH1      ARG 364   1.944 -18.254  -0.577
  699   1HH2  ARG 364          1HH2      ARG 364   1.197 -17.495   2.753
  700   2HH2  ARG 364          2HH2      ARG 364   0.676 -18.330   1.328
  701    H    LEU 365           H        LEU 365   5.234 -11.037   1.648
  702    HA   LEU 365           HA       LEU 365   7.513 -11.495   0.127
  703   1HB   LEU 365          1HB       LEU 365   6.106  -8.902   0.762
  704   2HB   LEU 365          2HB       LEU 365   7.362  -9.056  -0.451
  705    HG   LEU 365           HG       LEU 365   4.717 -10.513  -0.507
  706   1HD1  LEU 365          1HD1      LEU 365   4.414  -8.127  -0.845
  707   2HD1  LEU 365          2HD1      LEU 365   4.170  -9.001  -2.357
  708   3HD1  LEU 365          3HD1      LEU 365   5.675  -8.124  -2.078
  709   1HD2  LEU 365          1HD2      LEU 365   5.400 -11.001  -2.856
  710   2HD2  LEU 365          2HD2      LEU 365   6.391 -11.798  -1.635
  711   3HD2  LEU 365          3HD2      LEU 365   7.001 -10.369  -2.468
  712    H    PHE 366           H        PHE 366   7.129  -9.728   3.143
  713    HA   PHE 366           HA       PHE 366  10.007  -9.138   3.163
  714   1HB   PHE 366          1HB       PHE 366   7.963  -8.063   5.101
  715   2HB   PHE 366          2HB       PHE 366   9.565  -7.424   4.742
  716    HD1  PHE 366           HD1      PHE 366   6.233  -6.794   4.330
  717    HD2  PHE 366           HD2      PHE 366   9.822  -6.960   2.051
  718    HE1  PHE 366           HE1      PHE 366   5.239  -5.283   2.663
  719    HE2  PHE 366           HE2      PHE 366   8.836  -5.448   0.380
  720    HZ   PHE 366           HZ       PHE 366   6.541  -4.607   0.684
  721    H    LYS 367           H        LYS 367  10.961 -10.976   3.886
  722    HA   LYS 367           HA       LYS 367   9.997 -12.115   6.422
  723   1HB   LYS 367          1HB       LYS 367  10.100 -13.653   4.473
  724   2HB   LYS 367          2HB       LYS 367  11.829 -13.361   4.363
  725   1HG   LYS 367          1HG       LYS 367  12.202 -14.396   6.490
  726   2HG   LYS 367          2HG       LYS 367  10.466 -14.541   6.774
  727   1HD   LYS 367          1HD       LYS 367  11.291 -16.680   6.077
  728   2HD   LYS 367          2HD       LYS 367  10.331 -16.006   4.759
  729   1HE   LYS 367          1HE       LYS 367  12.363 -17.010   3.893
  730   2HE   LYS 367          2HE       LYS 367  12.392 -15.264   3.653
  731   1HZ   LYS 367          1HZ       LYS 367  13.804 -15.067   5.615
  732   2HZ   LYS 367          2HZ       LYS 367  14.519 -16.057   4.446
  733   3HZ   LYS 367          3HZ       LYS 367  13.794 -16.748   5.810
  734    H    ASN 368           H        ASN 368  12.376 -10.167   5.100
  735    HA   ASN 368           HA       ASN 368  14.226 -10.740   7.321
  736   1HB   ASN 368          1HB       ASN 368  14.829  -9.523   4.616
  737   2HB   ASN 368          2HB       ASN 368  16.001  -9.753   5.910
  738   1HD2  ASN 368          1HD2      ASN 368  15.941 -10.830   3.192
  739   2HD2  ASN 368          2HD2      ASN 368  16.003 -12.548   3.363
  740    H    GLN 369           H        GLN 369  12.457  -8.287   5.561
  741    HA   GLN 369           HA       GLN 369  13.417  -6.242   7.441
  742   1HB   GLN 369          1HB       GLN 369  11.968  -5.887   4.811
  743   2HB   GLN 369          2HB       GLN 369  12.580  -4.593   5.832
  744   1HG   GLN 369          1HG       GLN 369  14.340  -6.707   4.625
  745   2HG   GLN 369          2HG       GLN 369  13.982  -5.174   3.835
  746   1HE2  GLN 369          1HE2      GLN 369  16.124  -4.530   3.870
  747   2HE2  GLN 369          2HE2      GLN 369  16.921  -4.038   5.321
  748    H    GLU 370           H        GLU 370  12.101  -6.699   9.193
  749    HA   GLU 370           HA       GLU 370   9.257  -6.968   8.920
  750   1HB   GLU 370          1HB       GLU 370  11.009  -6.599  11.354
  751   2HB   GLU 370          2HB       GLU 370   9.278  -6.905  11.415
  752   1HG   GLU 370          1HG       GLU 370   9.642  -9.043  10.249
  753   2HG   GLU 370          2HG       GLU 370  11.379  -8.739  10.283
  754    H    ASP 371           H        ASP 371  11.469  -4.359   9.375
  755    HA   ASP 371           HA       ASP 371   9.890  -2.458  10.643
  756   1HB   ASP 371          1HB       ASP 371  11.320  -0.776   9.521
  757   2HB   ASP 371          2HB       ASP 371  12.257  -2.090  10.227
  758    H    LEU 372           H        LEU 372   9.862  -3.551   7.317
  759    HA   LEU 372           HA       LEU 372   8.289  -1.444   6.265
  760   1HB   LEU 372          1HB       LEU 372   8.621  -4.291   5.314
  761   2HB   LEU 372          2HB       LEU 372   7.840  -3.017   4.396
  762    HG   LEU 372           HG       LEU 372  10.733  -2.976   5.262
  763   1HD1  LEU 372          1HD1      LEU 372  11.234  -3.391   2.901
  764   2HD1  LEU 372          2HD1      LEU 372   9.511  -3.584   2.576
  765   3HD1  LEU 372          3HD1      LEU 372  10.343  -4.729   3.628
  766   1HD2  LEU 372          1HD2      LEU 372  10.906  -1.100   3.686
  767   2HD2  LEU 372          2HD2      LEU 372   9.799  -0.749   5.012
  768   3HD2  LEU 372          3HD2      LEU 372   9.163  -1.173   3.423
  769    H    LEU 373           H        LEU 373   7.521  -4.491   7.831
  770    HA   LEU 373           HA       LEU 373   4.718  -4.364   7.284
  771   1HB   LEU 373          1HB       LEU 373   6.493  -6.062   8.956
  772   2HB   LEU 373          2HB       LEU 373   4.793  -6.016   9.379
  773    HG   LEU 373           HG       LEU 373   5.866  -6.782   6.661
  774   1HD1  LEU 373          1HD1      LEU 373   6.454  -8.415   8.402
  775   2HD1  LEU 373          2HD1      LEU 373   5.274  -9.056   7.258
  776   3HD1  LEU 373          3HD1      LEU 373   4.753  -8.525   8.857
  777   1HD2  LEU 373          1HD2      LEU 373   3.593  -7.500   6.208
  778   2HD2  LEU 373          2HD2      LEU 373   3.616  -5.788   6.633
  779   3HD2  LEU 373          3HD2      LEU 373   3.086  -6.985   7.816
  780    H    SER 374           H        SER 374   6.765  -3.527  10.049
  781    HA   SER 374           HA       SER 374   4.759  -2.843  11.860
  782   1HB   SER 374          1HB       SER 374   6.456  -1.563  13.037
  783   2HB   SER 374          2HB       SER 374   7.185  -3.046  12.418
  784    HG   SER 374           HG       SER 374   8.381  -1.019  12.072
  785    H    GLU 375           H        GLU 375   6.411  -0.870   9.417
  786    HA   GLU 375           HA       GLU 375   4.988   1.518  10.010
  787   1HB   GLU 375          1HB       GLU 375   7.207   1.176   8.671
  788   2HB   GLU 375          2HB       GLU 375   6.136   0.938   7.298
  789   1HG   GLU 375          1HG       GLU 375   5.162   3.140   7.658
  790   2HG   GLU 375          2HG       GLU 375   6.207   3.382   9.055
  791    H    PHE 376           H        PHE 376   4.509  -1.143   7.753
  792    HA   PHE 376           HA       PHE 376   2.354  -0.015   6.317
  793   1HB   PHE 376          1HB       PHE 376   3.724  -2.025   5.632
  794   2HB   PHE 376          2HB       PHE 376   2.831  -2.957   6.828
  795    HD1  PHE 376           HD1      PHE 376   0.507  -3.533   6.479
  796    HD2  PHE 376           HD2      PHE 376   2.669  -1.269   3.596
  797    HE1  PHE 376           HE1      PHE 376  -1.261  -3.962   4.821
  798    HE2  PHE 376           HE2      PHE 376   0.907  -1.695   1.933
  799    HZ   PHE 376           HZ       PHE 376  -1.062  -3.043   2.544
  800    H    GLY 377           H        GLY 377   2.610  -1.412   9.445
  801   1HA   GLY 377          1HA       GLY 377  -0.211  -2.032   9.684
  802   2HA   GLY 377          2HA       GLY 377   1.005  -2.190  10.941
  803    H    GLN 378           H        GLN 378   2.019   0.396  11.045
  804    HA   GLN 378           HA       GLN 378   0.160   1.661  12.707
  805   1HB   GLN 378          1HB       GLN 378   1.664   3.590  12.681
  806   2HB   GLN 378          2HB       GLN 378   2.559   2.089  12.867
  807   1HG   GLN 378          1HG       GLN 378   3.189   2.149  10.527
  808   2HG   GLN 378          2HG       GLN 378   2.246   3.622  10.297
  809   1HE2  GLN 378          1HE2      GLN 378   5.116   2.236  11.679
  810   2HE2  GLN 378          2HE2      GLN 378   5.934   3.726  11.988
  811    H    PHE 379           H        PHE 379   0.756   2.012   9.266
  812    HA   PHE 379           HA       PHE 379  -0.686   4.391   8.849
  813   1HB   PHE 379          1HB       PHE 379   0.041   2.079   7.073
  814   2HB   PHE 379          2HB       PHE 379  -0.995   3.371   6.481
  815    HD1  PHE 379           HD1      PHE 379   2.150   2.257   6.225
  816    HD2  PHE 379           HD2      PHE 379   0.113   5.800   7.411
  817    HE1  PHE 379           HE1      PHE 379   4.139   3.585   5.656
  818    HE2  PHE 379           HE2      PHE 379   2.102   7.136   6.845
  819    HZ   PHE 379           HZ       PHE 379   4.117   6.026   5.962
  820    H    LEU 380           H        LEU 380  -1.685   1.058   9.188
  821    HA   LEU 380           HA       LEU 380  -4.358   1.455   8.263
  822   1HB   LEU 380          1HB       LEU 380  -3.075  -0.737   9.889
  823   2HB   LEU 380          2HB       LEU 380  -4.754  -0.771   9.386
  824    HG   LEU 380           HG       LEU 380  -2.467  -0.583   7.434
  825   1HD1  LEU 380          1HD1      LEU 380  -3.941  -3.038   8.376
  826   2HD1  LEU 380          2HD1      LEU 380  -2.252  -2.652   8.701
  827   3HD1  LEU 380          3HD1      LEU 380  -2.780  -2.977   7.050
  828   1HD2  LEU 380          1HD2      LEU 380  -4.152  -1.332   5.831
  829   2HD2  LEU 380          2HD2      LEU 380  -4.632   0.179   6.606
  830   3HD2  LEU 380          3HD2      LEU 380  -5.367  -1.344   7.110
  831    HA   PRO 381           HA       PRO 381  -6.000   3.132  12.038
  832   1HB   PRO 381          1HB       PRO 381  -8.614   3.003  11.499
  833   2HB   PRO 381          2HB       PRO 381  -7.548   4.081  10.589
  834   1HG   PRO 381          1HG       PRO 381  -8.629   1.396   9.824
  835   2HG   PRO 381          2HG       PRO 381  -8.474   2.863   8.838
  836   1HD   PRO 381          1HD       PRO 381  -6.694   0.763   8.787
  837   2HD   PRO 381          2HD       PRO 381  -6.287   2.428   8.329
  838    H    ASP 382           H        ASP 382  -8.163   2.504  13.431
  839    HA   ASP 382           HA       ASP 382  -7.496   0.017  14.656
  840   1HB   ASP 382          1HB       ASP 382  -8.313   1.889  15.991
  841   2HB   ASP 382          2HB       ASP 382  -9.842   1.873  15.119
  842    H    ALA 383           H        ALA 383  -9.834   1.053  12.308
  843    HA   ALA 383           HA       ALA 383 -11.405  -0.039  11.079
  844   1HB   ALA 383          1HB       ALA 383  -9.494  -1.408  10.434
  845   2HB   ALA 383          2HB       ALA 383 -10.962  -2.380  10.526
  846   3HB   ALA 383          3HB       ALA 383  -9.768  -2.462  11.821
  Start of MODEL   13
    1   1H    ARG   6          1H        ARG   6  -9.657   2.532   2.229
    2   2H    ARG   6          2H        ARG   6  -8.078   2.793   1.680
    3   3H    ARG   6          3H        ARG   6  -9.181   4.076   1.728
    4    HA   ARG   6           HA       ARG   6  -9.280   3.973   4.116
    5   1HB   ARG   6          1HB       ARG   6  -7.679   1.529   3.609
    6   2HB   ARG   6          2HB       ARG   6  -7.217   2.486   5.010
    7   1HG   ARG   6          1HG       ARG   6  -8.755   0.761   5.674
    8   2HG   ARG   6          2HG       ARG   6  -9.527   2.337   5.846
    9   1HD   ARG   6          1HD       ARG   6 -10.687   2.001   3.715
   10   2HD   ARG   6          2HD       ARG   6  -9.912   0.425   3.543
   11    HE   ARG   6           HE       ARG   6 -11.223   0.420   5.986
   12   1HH1  ARG   6          1HH1      ARG   6 -12.058   0.685   2.611
   13   2HH1  ARG   6          2HH1      ARG   6 -13.621  -0.036   2.812
   14   1HH2  ARG   6          1HH2      ARG   6 -13.274  -0.524   6.256
   15   2HH2  ARG   6          2HH2      ARG   6 -14.313  -0.721   4.884
   16    H    MET   7           H        MET   7  -7.235   4.481   5.600
   17    HA   MET   7           HA       MET   7  -5.846   6.600   4.229
   18   1HB   MET   7          1HB       MET   7  -6.775   6.776   6.561
   19   2HB   MET   7          2HB       MET   7  -5.515   5.668   7.086
   20   1HG   MET   7          1HG       MET   7  -3.814   7.269   6.372
   21   2HG   MET   7          2HG       MET   7  -5.080   8.378   5.850
   22   1HE   MET   7          1HE       MET   7  -3.403   6.573   8.902
   23   2HE   MET   7          2HE       MET   7  -5.085   6.068   9.049
   24   3HE   MET   7          3HE       MET   7  -4.383   7.153  10.248
   25    H    ASN   8           H        ASN   8  -5.302   3.399   4.332
   26    HA   ASN   8           HA       ASN   8  -2.395   3.586   4.651
   27   1HB   ASN   8          1HB       ASN   8  -3.343   1.792   5.907
   28   2HB   ASN   8          2HB       ASN   8  -4.284   1.236   4.526
   29   1HD2  ASN   8          1HD2      ASN   8  -0.960   2.267   4.264
   30   2HD2  ASN   8          2HD2      ASN   8  -0.299   0.707   3.936
   31    H    ILE   9           H        ILE   9  -4.414   1.589   2.515
   32    HA   ILE   9           HA       ILE   9  -2.550   1.332   0.477
   33    HB   ILE   9           HB       ILE   9  -5.552   1.274   0.175
   34   1HG1  ILE   9          1HG1      ILE   9  -4.790  -0.221   1.966
   35   2HG1  ILE   9          2HG1      ILE   9  -5.358  -1.141   0.578
   36   1HG2  ILE   9          1HG2      ILE   9  -4.408   1.382  -1.961
   37   2HG2  ILE   9          2HG2      ILE   9  -5.097  -0.224  -1.718
   38   3HG2  ILE   9          3HG2      ILE   9  -3.368   0.036  -1.494
   39   1HD1  ILE   9          1HD1      ILE   9  -3.357  -2.130   1.502
   40   2HD1  ILE   9          2HD1      ILE   9  -2.485  -0.609   1.300
   41   3HD1  ILE   9          3HD1      ILE   9  -3.039  -1.502  -0.116
   42    H    GLN  10           H        GLN  10  -5.421   3.461   0.441
   43    HA   GLN  10           HA       GLN  10  -4.978   4.741  -1.946
   44   1HB   GLN  10          1HB       GLN  10  -6.999   4.996  -0.550
   45   2HB   GLN  10          2HB       GLN  10  -6.083   5.993   0.571
   46   1HG   GLN  10          1HG       GLN  10  -7.393   7.399  -0.851
   47   2HG   GLN  10          2HG       GLN  10  -5.687   7.613  -1.239
   48   1HE2  GLN  10          1HE2      GLN  10  -7.570   4.840  -2.225
   49   2HE2  GLN  10          2HE2      GLN  10  -7.578   5.200  -3.914
   50    H    MET  11           H        MET  11  -3.563   5.494   1.202
   51    HA   MET  11           HA       MET  11  -2.324   7.913   0.446
   52   1HB   MET  11          1HB       MET  11  -2.681   7.285   2.785
   53   2HB   MET  11          2HB       MET  11  -1.547   5.953   2.610
   54   1HG   MET  11          1HG       MET  11   0.263   7.516   2.205
   55   2HG   MET  11          2HG       MET  11  -0.863   8.867   2.313
   56   1HE   MET  11          1HE       MET  11  -1.924   8.799   6.058
   57   2HE   MET  11          2HE       MET  11  -2.753   8.054   4.691
   58   3HE   MET  11          3HE       MET  11  -2.037   9.657   4.521
   59    H    LEU  12           H        LEU  12  -0.883   4.672   0.870
   60    HA   LEU  12           HA       LEU  12   1.664   5.285  -0.046
   61   1HB   LEU  12          1HB       LEU  12   0.190   2.670  -0.362
   62   2HB   LEU  12          2HB       LEU  12   1.927   2.889  -0.481
   63    HG   LEU  12           HG       LEU  12   0.287   3.353   2.010
   64   1HD1  LEU  12          1HD1      LEU  12   2.142   1.098   1.265
   65   2HD1  LEU  12          2HD1      LEU  12   0.390   0.996   1.440
   66   3HD1  LEU  12          3HD1      LEU  12   1.399   1.337   2.846
   67   1HD2  LEU  12          1HD2      LEU  12   2.481   3.506   3.116
   68   2HD2  LEU  12          2HD2      LEU  12   2.236   4.793   1.933
   69   3HD2  LEU  12          3HD2      LEU  12   3.266   3.417   1.538
   70    H    LEU  13           H        LEU  13  -1.035   3.895  -1.912
   71    HA   LEU  13           HA       LEU  13   0.237   3.806  -4.384
   72   1HB   LEU  13          1HB       LEU  13  -2.617   3.964  -3.525
   73   2HB   LEU  13          2HB       LEU  13  -2.233   4.153  -5.226
   74    HG   LEU  13           HG       LEU  13  -1.145   1.946  -5.224
   75   1HD1  LEU  13          1HD1      LEU  13  -0.440   1.894  -2.888
   76   2HD1  LEU  13          2HD1      LEU  13  -1.382   0.464  -3.307
   77   3HD1  LEU  13          3HD1      LEU  13  -2.124   1.766  -2.380
   78   1HD2  LEU  13          1HD2      LEU  13  -3.963   1.948  -4.153
   79   2HD2  LEU  13          2HD2      LEU  13  -3.183   0.606  -4.992
   80   3HD2  LEU  13          3HD2      LEU  13  -3.488   2.121  -5.843
   81    H    GLU  14           H        GLU  14  -1.498   6.451  -2.815
   82    HA   GLU  14           HA       GLU  14  -1.585   8.224  -4.974
   83   1HB   GLU  14          1HB       GLU  14  -2.811   8.593  -2.877
   84   2HB   GLU  14          2HB       GLU  14  -1.293   8.845  -2.026
   85   1HG   GLU  14          1HG       GLU  14  -2.378  10.954  -2.498
   86   2HG   GLU  14          2HG       GLU  14  -0.858  10.824  -3.380
   87    H    ALA  15           H        ALA  15   0.867   7.800  -2.444
   88    HA   ALA  15           HA       ALA  15   2.640   9.775  -3.441
   89   1HB   ALA  15          1HB       ALA  15   4.250   8.872  -1.888
   90   2HB   ALA  15          2HB       ALA  15   3.299   7.398  -1.705
   91   3HB   ALA  15          3HB       ALA  15   2.668   8.935  -1.112
   92    H    ALA  16           H        ALA  16   2.048   6.456  -4.237
   93    HA   ALA  16           HA       ALA  16   4.519   5.881  -5.497
   94   1HB   ALA  16          1HB       ALA  16   3.352   3.988  -6.503
   95   2HB   ALA  16          2HB       ALA  16   1.804   4.663  -5.994
   96   3HB   ALA  16          3HB       ALA  16   2.972   4.125  -4.787
   97    H    ASP  17           H        ASP  17   1.380   6.975  -6.754
   98    HA   ASP  17           HA       ASP  17   2.343   7.212  -9.443
   99   1HB   ASP  17          1HB       ASP  17  -0.028   6.750  -8.959
  100   2HB   ASP  17          2HB       ASP  17  -0.172   8.318  -8.172
  101    H    TYR  18           H        TYR  18   2.250   9.223  -6.646
  102    HA   TYR  18           HA       TYR  18   2.561  11.725  -8.017
  103   1HB   TYR  18          1HB       TYR  18   1.553  11.762  -5.839
  104   2HB   TYR  18          2HB       TYR  18   2.913  10.900  -5.131
  105    HD1  TYR  18           HD1      TYR  18   1.619  14.131  -6.166
  106    HD2  TYR  18           HD2      TYR  18   5.076  12.070  -4.769
  107    HE1  TYR  18           HE1      TYR  18   2.654  16.280  -5.565
  108    HE2  TYR  18           HE2      TYR  18   6.114  14.215  -4.165
  109    HH   TYR  18           HH       TYR  18   5.938  16.591  -4.793
  110    H    LEU  19           H        LEU  19   4.691   9.289  -6.683
  111    HA   LEU  19           HA       LEU  19   7.029  10.963  -6.951
  112   1HB   LEU  19          1HB       LEU  19   6.980   9.583  -5.031
  113   2HB   LEU  19          2HB       LEU  19   6.534   8.168  -5.967
  114    HG   LEU  19           HG       LEU  19   8.752   8.223  -7.036
  115   1HD1  LEU  19          1HD1      LEU  19  10.507   9.591  -5.825
  116   2HD1  LEU  19          2HD1      LEU  19   9.168  10.495  -5.113
  117   3HD1  LEU  19          3HD1      LEU  19   9.397  10.486  -6.862
  118   1HD2  LEU  19          1HD2      LEU  19   8.772   8.076  -4.025
  119   2HD2  LEU  19          2HD2      LEU  19   9.982   7.371  -5.096
  120   3HD2  LEU  19          3HD2      LEU  19   8.324   6.771  -5.124
  121    H    GLU  20           H        GLU  20   5.702   8.010  -8.424
  122    HA   GLU  20           HA       GLU  20   7.832   7.519 -10.186
  123   1HB   GLU  20          1HB       GLU  20   4.903   6.817 -10.359
  124   2HB   GLU  20          2HB       GLU  20   6.087   6.269 -11.537
  125   1HG   GLU  20          1HG       GLU  20   7.307   5.102  -9.788
  126   2HG   GLU  20          2HG       GLU  20   6.151   5.675  -8.587
  127    H    ARG  21           H        ARG  21   5.018   9.599 -10.429
  128    HA   ARG  21           HA       ARG  21   5.848  10.432 -13.119
  129   1HB   ARG  21          1HB       ARG  21   3.274  10.965 -11.624
  130   2HB   ARG  21          2HB       ARG  21   3.625  11.498 -13.262
  131   1HG   ARG  21          1HG       ARG  21   3.474   8.627 -12.362
  132   2HG   ARG  21          2HG       ARG  21   2.197   9.507 -13.204
  133   1HD   ARG  21          1HD       ARG  21   4.957   8.904 -14.260
  134   2HD   ARG  21          2HD       ARG  21   3.453   8.135 -14.765
  135    HE   ARG  21           HE       ARG  21   3.020  10.780 -15.223
  136   1HH1  ARG  21          1HH1      ARG  21   5.504   8.529 -16.175
  137   2HH1  ARG  21          2HH1      ARG  21   5.829   9.324 -17.679
  138   1HH2  ARG  21          1HH2      ARG  21   3.441  11.837 -17.199
  139   2HH2  ARG  21          2HH2      ARG  21   4.655  11.207 -18.261
  140   1H    SER 295          1H        SER 295 -11.944  11.758  -0.550
  141   2H    SER 295          2H        SER 295 -12.535  13.083  -1.419
  142   3H    SER 295          3H        SER 295 -13.462  12.405  -0.178
  143    HA   SER 295           HA       SER 295 -10.855  13.761   0.166
  144   1HB   SER 295          1HB       SER 295 -12.168  15.539   1.267
  145   2HB   SER 295          2HB       SER 295 -12.646  15.336  -0.418
  146    HG   SER 295           HG       SER 295 -14.267  13.787   0.680
  147    H    LEU 296           H        LEU 296  -9.814  13.082   1.902
  148    HA   LEU 296           HA       LEU 296 -11.322  11.709   4.018
  149   1HB   LEU 296          1HB       LEU 296  -8.348  11.667   3.510
  150   2HB   LEU 296          2HB       LEU 296  -9.227  10.674   4.655
  151    HG   LEU 296           HG       LEU 296  -9.550  10.530   1.656
  152   1HD1  LEU 296          1HD1      LEU 296  -8.078   8.690   3.538
  153   2HD1  LEU 296          2HD1      LEU 296  -7.336   9.780   2.368
  154   3HD1  LEU 296          3HD1      LEU 296  -8.326   8.430   1.811
  155   1HD2  LEU 296          1HD2      LEU 296 -10.787   8.478   2.128
  156   2HD2  LEU 296          2HD2      LEU 296 -11.554   9.873   2.889
  157   3HD2  LEU 296          3HD2      LEU 296 -10.597   8.755   3.861
  158    H    GLN 297           H        GLN 297 -10.529  12.025   6.256
  159    HA   GLN 297           HA       GLN 297 -10.106  14.863   6.744
  160   1HB   GLN 297          1HB       GLN 297 -11.866  13.672   7.987
  161   2HB   GLN 297          2HB       GLN 297 -10.652  12.605   8.681
  162   1HG   GLN 297          1HG       GLN 297  -9.612  14.508   9.798
  163   2HG   GLN 297          2HG       GLN 297 -10.821  15.582   9.095
  164   1HE2  GLN 297          1HE2      GLN 297 -12.928  15.528   9.865
  165   2HE2  GLN 297          2HE2      GLN 297 -13.342  14.777  11.366
  166    H    ASN 298           H        ASN 298  -8.111  15.629   6.931
  167    HA   ASN 298           HA       ASN 298  -6.025  13.859   8.023
  168   1HB   ASN 298          1HB       ASN 298  -5.723  16.190   6.118
  169   2HB   ASN 298          2HB       ASN 298  -4.401  15.213   6.753
  170   1HD2  ASN 298          1HD2      ASN 298  -4.149  13.093   6.038
  171   2HD2  ASN 298          2HD2      ASN 298  -4.908  12.520   4.595
  172    H    ASN 299           H        ASN 299  -4.178  15.110   9.044
  173    HA   ASN 299           HA       ASN 299  -5.123  17.483  10.491
  174   1HB   ASN 299          1HB       ASN 299  -5.500  15.587  11.976
  175   2HB   ASN 299          2HB       ASN 299  -3.841  15.046  11.748
  176   1HD2  ASN 299          1HD2      ASN 299  -4.703  18.411  12.064
  177   2HD2  ASN 299          2HD2      ASN 299  -3.997  18.647  13.622
  178    H    GLN 300           H        GLN 300  -2.306  15.350  10.020
  179    HA   GLN 300           HA       GLN 300  -0.634  17.767   9.808
  180   1HB   GLN 300          1HB       GLN 300   0.215  15.048  10.825
  181   2HB   GLN 300          2HB       GLN 300   1.220  16.487  10.734
  182   1HG   GLN 300          1HG       GLN 300   0.011  17.565  12.434
  183   2HG   GLN 300          2HG       GLN 300  -1.285  16.372  12.377
  184   1HE2  GLN 300          1HE2      GLN 300   1.952  17.049  13.439
  185   2HE2  GLN 300          2HE2      GLN 300   2.102  15.704  14.512
  186    HA   PRO 301           HA       PRO 301   0.437  16.181   5.801
  187   1HB   PRO 301          1HB       PRO 301   2.510  17.769   5.205
  188   2HB   PRO 301          2HB       PRO 301   0.866  18.405   5.335
  189   1HG   PRO 301          1HG       PRO 301   3.116  18.541   7.297
  190   2HG   PRO 301          2HG       PRO 301   1.921  19.779   6.873
  191   1HD   PRO 301          1HD       PRO 301   1.782  18.154   9.106
  192   2HD   PRO 301          2HD       PRO 301   0.395  18.975   8.364
  193    H    VAL 302           H        VAL 302   2.133  15.492   8.522
  194    HA   VAL 302           HA       VAL 302   4.643  14.639   7.526
  195    HB   VAL 302           HB       VAL 302   3.174  13.584   9.947
  196   1HG1  VAL 302          1HG1      VAL 302   6.102  13.586   9.222
  197   2HG1  VAL 302          2HG1      VAL 302   5.039  12.181   9.309
  198   3HG1  VAL 302          3HG1      VAL 302   5.439  13.076  10.775
  199   1HG2  VAL 302          1HG2      VAL 302   5.090  15.903   9.727
  200   2HG2  VAL 302          2HG2      VAL 302   4.410  15.263  11.223
  201   3HG2  VAL 302          3HG2      VAL 302   3.357  16.018  10.026
  202    H    GLU 303           H        GLU 303   1.504  13.087   7.815
  203    HA   GLU 303           HA       GLU 303   2.221  10.431   7.419
  204   1HB   GLU 303          1HB       GLU 303  -0.258  11.863   6.444
  205   2HB   GLU 303          2HB       GLU 303  -0.074  10.117   6.561
  206   1HG   GLU 303          1HG       GLU 303   0.252  10.349   8.995
  207   2HG   GLU 303          2HG       GLU 303  -0.041  12.081   8.842
  208    H    PHE 304           H        PHE 304   1.530  12.956   5.031
  209    HA   PHE 304           HA       PHE 304   1.732  11.385   2.722
  210   1HB   PHE 304          1HB       PHE 304   0.820  13.684   2.773
  211   2HB   PHE 304          2HB       PHE 304   2.439  14.308   3.069
  212    HD1  PHE 304           HD1      PHE 304   0.662  12.116   0.624
  213    HD2  PHE 304           HD2      PHE 304   3.603  15.121   1.277
  214    HE1  PHE 304           HE1      PHE 304   1.038  12.270  -1.804
  215    HE2  PHE 304           HE2      PHE 304   3.985  15.280  -1.148
  216    HZ   PHE 304           HZ       PHE 304   2.700  13.854  -2.692
  217    H    ASN 305           H        ASN 305   4.184  13.253   4.471
  218    HA   ASN 305           HA       ASN 305   6.342  12.775   2.760
  219   1HB   ASN 305          1HB       ASN 305   6.439  14.461   4.518
  220   2HB   ASN 305          2HB       ASN 305   6.324  13.213   5.756
  221   1HD2  ASN 305          1HD2      ASN 305   8.262  13.792   6.702
  222   2HD2  ASN 305          2HD2      ASN 305   9.789  13.472   5.960
  223    H    HIS 306           H        HIS 306   5.030  10.885   5.429
  224    HA   HIS 306           HA       HIS 306   7.104   8.955   5.504
  225   1HB   HIS 306          1HB       HIS 306   4.248   8.935   6.474
  226   2HB   HIS 306          2HB       HIS 306   5.318   7.553   6.681
  227    HD1  HIS 306           HD1      HIS 306   5.067   7.903   9.276
  228    HD2  HIS 306           HD2      HIS 306   6.958  11.006   7.259
  229    HE1  HIS 306           HE1      HIS 306   6.183   9.282  11.057
  230    HE2  HIS 306           HE2      HIS 306   7.249  11.201   9.822
  231    H    ALA 307           H        ALA 307   4.141   9.278   3.667
  232    HA   ALA 307           HA       ALA 307   3.989   6.665   2.633
  233   1HB   ALA 307          1HB       ALA 307   2.508   7.587   0.963
  234   2HB   ALA 307          2HB       ALA 307   3.076   9.220   1.314
  235   3HB   ALA 307          3HB       ALA 307   2.162   8.325   2.527
  236    H    ILE 308           H        ILE 308   5.431   9.625   1.260
  237    HA   ILE 308           HA       ILE 308   6.431   8.379  -1.073
  238    HB   ILE 308           HB       ILE 308   7.460  10.873   0.287
  239   1HG1  ILE 308          1HG1      ILE 308   5.436  10.562  -1.945
  240   2HG1  ILE 308          2HG1      ILE 308   5.043  10.954  -0.274
  241   1HG2  ILE 308          1HG2      ILE 308   7.783   9.906  -2.554
  242   2HG2  ILE 308          2HG2      ILE 308   9.045   9.944  -1.323
  243   3HG2  ILE 308          3HG2      ILE 308   8.349  11.451  -1.919
  244   1HD1  ILE 308          1HD1      ILE 308   6.224  13.047  -0.449
  245   2HD1  ILE 308          2HD1      ILE 308   5.043  12.915  -1.753
  246   3HD1  ILE 308          3HD1      ILE 308   6.755  12.645  -2.082
  247    H    ASN 309           H        ASN 309   7.977   9.142   2.038
  248    HA   ASN 309           HA       ASN 309  10.554   8.259   1.392
  249   1HB   ASN 309          1HB       ASN 309  10.080   9.591   3.390
  250   2HB   ASN 309          2HB       ASN 309   9.164   8.255   4.081
  251   1HD2  ASN 309          1HD2      ASN 309  12.323   9.450   3.263
  252   2HD2  ASN 309          2HD2      ASN 309  13.219   8.307   4.201
  253    H    TYR 310           H        TYR 310   7.735   6.515   2.568
  254    HA   TYR 310           HA       TYR 310   9.042   4.072   3.132
  255   1HB   TYR 310          1HB       TYR 310   6.814   4.648   4.014
  256   2HB   TYR 310          2HB       TYR 310   6.151   4.568   2.386
  257    HD1  TYR 310           HD1      TYR 310   8.131   2.425   4.730
  258    HD2  TYR 310           HD2      TYR 310   5.063   2.628   1.789
  259    HE1  TYR 310           HE1      TYR 310   7.683   0.027   5.043
  260    HE2  TYR 310           HE2      TYR 310   4.605   0.232   2.094
  261    HH   TYR 310           HH       TYR 310   5.745  -1.544   4.691
  262    H    VAL 311           H        VAL 311   7.045   5.038   0.339
  263    HA   VAL 311           HA       VAL 311   7.430   2.737  -1.189
  264    HB   VAL 311           HB       VAL 311   6.993   5.564  -2.169
  265   1HG1  VAL 311          1HG1      VAL 311   6.075   4.489  -4.185
  266   2HG1  VAL 311          2HG1      VAL 311   6.585   2.919  -3.560
  267   3HG1  VAL 311          3HG1      VAL 311   7.790   4.143  -3.960
  268   1HG2  VAL 311          1HG2      VAL 311   5.269   4.804  -0.604
  269   2HG2  VAL 311          2HG2      VAL 311   5.005   3.369  -1.595
  270   3HG2  VAL 311          3HG2      VAL 311   4.634   4.968  -2.240
  271    H    ASN 312           H        ASN 312   9.363   5.684  -0.966
  272    HA   ASN 312           HA       ASN 312  11.138   5.042  -3.086
  273   1HB   ASN 312          1HB       ASN 312  10.877   7.340  -2.310
  274   2HB   ASN 312          2HB       ASN 312  11.503   6.897  -0.724
  275   1HD2  ASN 312          1HD2      ASN 312  12.282   7.484  -4.056
  276   2HD2  ASN 312          2HD2      ASN 312  13.994   7.578  -3.850
  277    H    LYS 313           H        LYS 313  11.100   4.355   0.353
  278    HA   LYS 313           HA       LYS 313  13.774   3.468   0.577
  279   1HB   LYS 313          1HB       LYS 313  12.390   4.073   2.523
  280   2HB   LYS 313          2HB       LYS 313  11.362   2.678   2.223
  281   1HG   LYS 313          1HG       LYS 313  13.209   1.180   2.676
  282   2HG   LYS 313          2HG       LYS 313  14.298   2.552   2.886
  283   1HD   LYS 313          1HD       LYS 313  12.959   3.313   4.796
  284   2HD   LYS 313          2HD       LYS 313  11.883   1.930   4.588
  285   1HE   LYS 313          1HE       LYS 313  13.748   0.411   5.013
  286   2HE   LYS 313          2HE       LYS 313  14.833   1.787   5.202
  287   1HZ   LYS 313          1HZ       LYS 313  12.473   1.234   6.918
  288   2HZ   LYS 313          2HZ       LYS 313  13.579   2.497   7.120
  289   3HZ   LYS 313          3HZ       LYS 313  14.077   0.894   7.334
  290    H    ILE 314           H        ILE 314  10.738   1.789  -0.139
  291    HA   ILE 314           HA       ILE 314  11.884  -0.814  -0.200
  292    HB   ILE 314           HB       ILE 314   9.365   0.146  -1.565
  293   1HG1  ILE 314          1HG1      ILE 314   9.761  -1.110   1.162
  294   2HG1  ILE 314          2HG1      ILE 314   9.342   0.572   0.862
  295   1HG2  ILE 314          1HG2      ILE 314   8.706  -2.212  -1.513
  296   2HG2  ILE 314          2HG2      ILE 314  10.268  -2.632  -0.809
  297   3HG2  ILE 314          3HG2      ILE 314  10.186  -1.976  -2.444
  298   1HD1  ILE 314          1HD1      ILE 314   7.649  -1.817   0.169
  299   2HD1  ILE 314          2HD1      ILE 314   7.224  -0.131  -0.122
  300   3HD1  ILE 314          3HD1      ILE 314   7.402  -0.724   1.529
  301    H    LYS 315           H        LYS 315  11.168   1.592  -2.704
  302    HA   LYS 315           HA       LYS 315  11.890   0.001  -4.916
  303   1HB   LYS 315          1HB       LYS 315  10.574   2.088  -5.077
  304   2HB   LYS 315          2HB       LYS 315  12.007   3.010  -4.645
  305   1HG   LYS 315          1HG       LYS 315  13.121   2.266  -6.674
  306   2HG   LYS 315          2HG       LYS 315  11.711   1.294  -7.101
  307   1HD   LYS 315          1HD       LYS 315  10.347   3.331  -7.199
  308   2HD   LYS 315          2HD       LYS 315  11.768   4.296  -6.794
  309   1HE   LYS 315          1HE       LYS 315  12.869   3.526  -8.840
  310   2HE   LYS 315          2HE       LYS 315  11.448   2.563  -9.242
  311   1HZ   LYS 315          1HZ       LYS 315  11.475   4.670 -10.431
  312   2HZ   LYS 315          2HZ       LYS 315  11.497   5.521  -8.969
  313   3HZ   LYS 315          3HZ       LYS 315  10.149   4.586  -9.383
  314    H    ASN 316           H        ASN 316  13.756   1.999  -2.725
  315    HA   ASN 316           HA       ASN 316  16.160   1.898  -4.296
  316   1HB   ASN 316          1HB       ASN 316  15.573   3.742  -2.674
  317   2HB   ASN 316          2HB       ASN 316  15.896   2.607  -1.368
  318   1HD2  ASN 316          1HD2      ASN 316  17.208   5.121  -2.021
  319   2HD2  ASN 316          2HD2      ASN 316  18.879   4.745  -2.252
  320    H    ARG 317           H        ARG 317  14.812   0.130  -1.575
  321    HA   ARG 317           HA       ARG 317  17.148  -1.321  -0.909
  322   1HB   ARG 317          1HB       ARG 317  15.216  -1.058   0.609
  323   2HB   ARG 317          2HB       ARG 317  14.253  -2.071  -0.457
  324   1HG   ARG 317          1HG       ARG 317  14.988  -3.394   1.388
  325   2HG   ARG 317          2HG       ARG 317  15.854  -3.924  -0.056
  326   1HD   ARG 317          1HD       ARG 317  17.778  -2.536   0.629
  327   2HD   ARG 317          2HD       ARG 317  16.911  -2.097   2.100
  328    HE   ARG 317           HE       ARG 317  16.955  -4.838   2.087
  329   1HH1  ARG 317          1HH1      ARG 317  19.340  -2.301   1.987
  330   2HH1  ARG 317          2HH1      ARG 317  20.551  -3.230   2.807
  331   1HH2  ARG 317          1HH2      ARG 317  18.543  -6.070   3.167
  332   2HH2  ARG 317          2HH2      ARG 317  20.098  -5.373   3.477
  333    H    PHE 318           H        PHE 318  14.206  -2.405  -2.621
  334    HA   PHE 318           HA       PHE 318  15.661  -4.700  -3.662
  335   1HB   PHE 318          1HB       PHE 318  12.752  -3.898  -3.867
  336   2HB   PHE 318          2HB       PHE 318  13.427  -5.367  -4.564
  337    HD1  PHE 318           HD1      PHE 318  12.683  -3.612  -1.416
  338    HD2  PHE 318           HD2      PHE 318  13.886  -7.270  -3.227
  339    HE1  PHE 318           HE1      PHE 318  12.332  -4.779   0.721
  340    HE2  PHE 318           HE2      PHE 318  13.536  -8.445  -1.093
  341    HZ   PHE 318           HZ       PHE 318  12.758  -7.200   0.884
  342    H    GLN 319           H        GLN 319  16.577  -2.237  -4.635
  343    HA   GLN 319           HA       GLN 319  15.493  -1.400  -7.064
  344   1HB   GLN 319          1HB       GLN 319  17.370  -0.334  -5.694
  345   2HB   GLN 319          2HB       GLN 319  18.451  -1.480  -6.472
  346   1HG   GLN 319          1HG       GLN 319  16.715   0.457  -7.981
  347   2HG   GLN 319          2HG       GLN 319  18.374   0.801  -7.496
  348   1HE2  GLN 319          1HE2      GLN 319  20.068  -0.376  -8.448
  349   2HE2  GLN 319          2HE2      GLN 319  19.859  -1.200  -9.952
  350    H    GLY 320           H        GLY 320  18.145  -3.724  -6.509
  351   1HA   GLY 320          1HA       GLY 320  18.440  -4.477  -9.207
  352   2HA   GLY 320          2HA       GLY 320  18.983  -5.409  -7.821
  353    H    GLN 321           H        GLN 321  15.982  -5.258  -6.968
  354    HA   GLN 321           HA       GLN 321  15.089  -7.458  -8.717
  355   1HB   GLN 321          1HB       GLN 321  15.788  -8.138  -6.388
  356   2HB   GLN 321          2HB       GLN 321  14.446  -7.181  -5.780
  357   1HG   GLN 321          1HG       GLN 321  13.837  -9.511  -5.886
  358   2HG   GLN 321          2HG       GLN 321  12.883  -8.578  -7.037
  359   1HE2  GLN 321          1HE2      GLN 321  16.222  -9.422  -7.582
  360   2HE2  GLN 321          2HE2      GLN 321  15.934 -10.549  -8.860
  361    HA   PRO 322           HA       PRO 322  11.862  -4.178  -8.953
  362   1HB   PRO 322          1HB       PRO 322  11.281  -4.522 -11.566
  363   2HB   PRO 322          2HB       PRO 322  12.656  -3.551 -11.023
  364   1HG   PRO 322          1HG       PRO 322  12.606  -6.367 -12.037
  365   2HG   PRO 322          2HG       PRO 322  13.751  -5.065 -12.405
  366   1HD   PRO 322          1HD       PRO 322  14.269  -7.050 -10.610
  367   2HD   PRO 322          2HD       PRO 322  14.963  -5.420 -10.487
  368    H    ASP 323           H        ASP 323  11.919  -7.532  -9.206
  369    HA   ASP 323           HA       ASP 323   9.236  -8.003 -10.052
  370   1HB   ASP 323          1HB       ASP 323  11.171  -9.765  -8.532
  371   2HB   ASP 323          2HB       ASP 323   9.628 -10.305  -9.186
  372    H    ILE 324           H        ILE 324  10.828  -7.710  -6.914
  373    HA   ILE 324           HA       ILE 324   8.549  -8.391  -5.360
  374    HB   ILE 324           HB       ILE 324  10.913  -6.715  -4.511
  375   1HG1  ILE 324          1HG1      ILE 324  11.686  -8.821  -5.478
  376   2HG1  ILE 324          2HG1      ILE 324  11.918  -8.825  -3.734
  377   1HG2  ILE 324          1HG2      ILE 324  10.381  -7.585  -2.268
  378   2HG2  ILE 324          2HG2      ILE 324   8.952  -8.373  -2.934
  379   3HG2  ILE 324          3HG2      ILE 324   9.075  -6.614  -2.947
  380   1HD1  ILE 324          1HD1      ILE 324  11.122 -10.971  -4.488
  381   2HD1  ILE 324          2HD1      ILE 324   9.721 -10.217  -5.246
  382   3HD1  ILE 324          3HD1      ILE 324   9.894 -10.192  -3.491
  383    H    TYR 325           H        TYR 325   9.977  -5.298  -6.355
  384    HA   TYR 325           HA       TYR 325   8.179  -3.642  -4.948
  385   1HB   TYR 325          1HB       TYR 325  10.360  -2.890  -5.856
  386   2HB   TYR 325          2HB       TYR 325   9.710  -3.024  -7.484
  387    HD1  TYR 325           HD1      TYR 325   8.569  -1.471  -4.267
  388    HD2  TYR 325           HD2      TYR 325   9.237  -0.994  -8.442
  389    HE1  TYR 325           HE1      TYR 325   7.766   0.850  -4.126
  390    HE2  TYR 325           HE2      TYR 325   8.434   1.326  -8.313
  391    HH   TYR 325           HH       TYR 325   7.044   2.718  -6.890
  392    H    LYS 326           H        LYS 326   8.186  -4.797  -8.311
  393    HA   LYS 326           HA       LYS 326   5.857  -3.459  -9.136
  394   1HB   LYS 326          1HB       LYS 326   7.429  -4.474 -10.718
  395   2HB   LYS 326          2HB       LYS 326   7.004  -6.075 -10.130
  396   1HG   LYS 326          1HG       LYS 326   4.643  -5.594 -10.864
  397   2HG   LYS 326          2HG       LYS 326   5.275  -4.155 -11.664
  398   1HD   LYS 326          1HD       LYS 326   6.216  -6.974 -12.186
  399   2HD   LYS 326          2HD       LYS 326   5.052  -6.101 -13.183
  400   1HE   LYS 326          1HE       LYS 326   6.750  -4.381 -13.631
  401   2HE   LYS 326          2HE       LYS 326   7.911  -5.290 -12.664
  402   1HZ   LYS 326          1HZ       LYS 326   8.188  -5.711 -15.029
  403   2HZ   LYS 326          2HZ       LYS 326   6.595  -6.269 -15.140
  404   3HZ   LYS 326          3HZ       LYS 326   7.728  -7.123 -14.218
  405    H    ALA 327           H        ALA 327   6.342  -6.672  -7.728
  406    HA   ALA 327           HA       ALA 327   3.697  -7.577  -7.929
  407   1HB   ALA 327          1HB       ALA 327   5.736  -8.276  -5.818
  408   2HB   ALA 327          2HB       ALA 327   5.596  -9.039  -7.401
  409   3HB   ALA 327          3HB       ALA 327   4.293  -9.206  -6.225
  410    H    PHE 328           H        PHE 328   5.338  -5.710  -5.418
  411    HA   PHE 328           HA       PHE 328   3.285  -5.717  -3.510
  412   1HB   PHE 328          1HB       PHE 328   5.608  -4.979  -3.070
  413   2HB   PHE 328          2HB       PHE 328   5.322  -3.544  -4.046
  414    HD1  PHE 328           HD1      PHE 328   5.207  -1.673  -2.740
  415    HD2  PHE 328           HD2      PHE 328   3.391  -5.260  -1.343
  416    HE1  PHE 328           HE1      PHE 328   4.400  -0.483  -0.742
  417    HE2  PHE 328           HE2      PHE 328   2.582  -4.077   0.656
  418    HZ   PHE 328           HZ       PHE 328   3.086  -1.686   0.959
  419    H    LEU 329           H        LEU 329   4.110  -3.165  -5.866
  420    HA   LEU 329           HA       LEU 329   1.884  -1.545  -5.383
  421   1HB   LEU 329          1HB       LEU 329   3.455  -1.884  -7.938
  422   2HB   LEU 329          2HB       LEU 329   2.341  -0.573  -7.610
  423    HG   LEU 329           HG       LEU 329   4.884  -1.115  -6.075
  424   1HD1  LEU 329          1HD1      LEU 329   5.384  -0.354  -8.309
  425   2HD1  LEU 329          2HD1      LEU 329   5.677   0.953  -7.162
  426   3HD1  LEU 329          3HD1      LEU 329   4.221   0.962  -8.156
  427   1HD2  LEU 329          1HD2      LEU 329   2.926   1.175  -5.920
  428   2HD2  LEU 329          2HD2      LEU 329   4.460   1.071  -5.057
  429   3HD2  LEU 329          3HD2      LEU 329   3.166  -0.071  -4.696
  430    H    GLU 330           H        GLU 330   2.282  -4.337  -7.468
  431    HA   GLU 330           HA       GLU 330  -0.080  -4.048  -8.978
  432   1HB   GLU 330          1HB       GLU 330   1.864  -5.574  -9.484
  433   2HB   GLU 330          2HB       GLU 330   1.265  -6.646  -8.229
  434   1HG   GLU 330          1HG       GLU 330  -0.418  -5.814 -10.569
  435   2HG   GLU 330          2HG       GLU 330   0.657  -7.209 -10.622
  436    H    ILE 331           H        ILE 331   0.578  -6.113  -6.138
  437    HA   ILE 331           HA       ILE 331  -1.976  -7.136  -5.802
  438    HB   ILE 331           HB       ILE 331   0.050  -6.482  -3.659
  439   1HG1  ILE 331          1HG1      ILE 331  -0.544  -9.104  -5.048
  440   2HG1  ILE 331          2HG1      ILE 331   0.796  -8.043  -5.466
  441   1HG2  ILE 331          1HG2      ILE 331  -1.151  -8.156  -2.304
  442   2HG2  ILE 331          2HG2      ILE 331  -2.389  -8.255  -3.557
  443   3HG2  ILE 331          3HG2      ILE 331  -2.145  -6.747  -2.674
  444   1HD1  ILE 331          1HD1      ILE 331   1.553  -9.864  -4.075
  445   2HD1  ILE 331          2HD1      ILE 331   0.383  -9.429  -2.829
  446   3HD1  ILE 331          3HD1      ILE 331   1.711  -8.334  -3.213
  447    H    LEU 332           H        LEU 332  -0.569  -4.224  -4.279
  448    HA   LEU 332           HA       LEU 332  -2.883  -3.497  -2.866
  449   1HB   LEU 332          1HB       LEU 332  -0.813  -1.593  -3.951
  450   2HB   LEU 332          2HB       LEU 332  -1.887  -1.323  -2.594
  451    HG   LEU 332           HG       LEU 332   0.603  -2.967  -2.736
  452   1HD1  LEU 332          1HD1      LEU 332   0.766  -0.714  -1.902
  453   2HD1  LEU 332          2HD1      LEU 332   1.004  -1.852  -0.576
  454   3HD1  LEU 332          3HD1      LEU 332  -0.537  -1.013  -0.751
  455   1HD2  LEU 332          1HD2      LEU 332  -1.607  -3.387  -0.726
  456   2HD2  LEU 332          2HD2      LEU 332   0.022  -4.053  -0.613
  457   3HD2  LEU 332          3HD2      LEU 332  -1.047  -4.556  -1.922
  458    H    HIS 333           H        HIS 333  -1.867  -2.885  -6.167
  459    HA   HIS 333           HA       HIS 333  -3.725  -0.894  -6.836
  460   1HB   HIS 333          1HB       HIS 333  -1.714  -2.070  -8.181
  461   2HB   HIS 333          2HB       HIS 333  -3.068  -2.938  -8.893
  462    HD1  HIS 333           HD1      HIS 333  -4.412  -1.731 -10.645
  463    HD2  HIS 333           HD2      HIS 333  -1.796   0.776  -8.612
  464    HE1  HIS 333           HE1      HIS 333  -4.474   0.453 -11.889
  465    HE2  HIS 333           HE2      HIS 333  -2.961   1.986 -10.580
  466    H    THR 334           H        THR 334  -3.914  -4.424  -6.979
  467    HA   THR 334           HA       THR 334  -6.509  -4.592  -8.063
  468    HB   THR 334           HB       THR 334  -5.067  -6.562  -6.272
  469    HG1  THR 334           HG1      THR 334  -5.281  -7.262  -8.871
  470   1HG2  THR 334          1HG2      THR 334  -6.607  -8.230  -7.270
  471   2HG2  THR 334          2HG2      THR 334  -7.493  -6.913  -8.037
  472   3HG2  THR 334          3HG2      THR 334  -7.442  -7.034  -6.279
  473    H    TYR 335           H        TYR 335  -5.302  -4.383  -4.754
  474    HA   TYR 335           HA       TYR 335  -7.706  -4.856  -3.399
  475   1HB   TYR 335          1HB       TYR 335  -5.480  -4.755  -2.294
  476   2HB   TYR 335          2HB       TYR 335  -5.446  -3.015  -2.566
  477    HD1  TYR 335           HD1      TYR 335  -6.996  -1.539  -1.331
  478    HD2  TYR 335           HD2      TYR 335  -6.771  -5.708  -0.514
  479    HE1  TYR 335           HE1      TYR 335  -8.154  -1.177   0.808
  480    HE2  TYR 335           HE2      TYR 335  -7.929  -5.357   1.626
  481    HH   TYR 335           HH       TYR 335  -8.295  -3.513   3.241
  482    H    GLN 336           H        GLN 336  -6.341  -1.898  -4.759
  483    HA   GLN 336           HA       GLN 336  -8.309  -0.130  -3.757
  484   1HB   GLN 336          1HB       GLN 336  -6.169   0.704  -4.552
  485   2HB   GLN 336          2HB       GLN 336  -6.504   0.105  -6.172
  486   1HG   GLN 336          1HG       GLN 336  -8.372   1.670  -6.364
  487   2HG   GLN 336          2HG       GLN 336  -8.029   2.274  -4.745
  488   1HE2  GLN 336          1HE2      GLN 336  -5.549   1.372  -7.033
  489   2HE2  GLN 336          2HE2      GLN 336  -4.953   2.969  -7.313
  490    H    LYS 337           H        LYS 337  -7.984  -1.852  -6.845
  491    HA   LYS 337           HA       LYS 337 -10.220  -0.763  -8.119
  492   1HB   LYS 337          1HB       LYS 337  -8.442  -2.150  -9.185
  493   2HB   LYS 337          2HB       LYS 337  -9.172  -3.573  -8.459
  494   1HG   LYS 337          1HG       LYS 337 -10.854  -1.784 -10.146
  495   2HG   LYS 337          2HG       LYS 337  -9.712  -2.883 -10.924
  496   1HD   LYS 337          1HD       LYS 337 -10.743  -4.774  -9.763
  497   2HD   LYS 337          2HD       LYS 337 -11.881  -3.676  -8.979
  498   1HE   LYS 337          1HE       LYS 337 -11.630  -4.135 -11.951
  499   2HE   LYS 337          2HE       LYS 337 -12.889  -4.798 -10.909
  500   1HZ   LYS 337          1HZ       LYS 337 -12.406  -1.909 -11.408
  501   2HZ   LYS 337          2HZ       LYS 337 -13.619  -2.550 -10.419
  502   3HZ   LYS 337          3HZ       LYS 337 -13.653  -2.832 -12.086
  503    H    GLU 338           H        GLU 338  -9.923  -3.677  -6.115
  504    HA   GLU 338           HA       GLU 338 -12.660  -4.398  -6.287
  505   1HB   GLU 338          1HB       GLU 338 -10.604  -5.122  -4.189
  506   2HB   GLU 338          2HB       GLU 338 -12.160  -5.914  -4.408
  507   1HG   GLU 338          1HG       GLU 338  -9.946  -5.838  -6.446
  508   2HG   GLU 338          2HG       GLU 338 -10.302  -7.190  -5.372
  509    H    GLN 339           H        GLN 339 -10.868  -2.196  -4.284
  510    HA   GLN 339           HA       GLN 339 -12.764  -1.962  -2.182
  511   1HB   GLN 339          1HB       GLN 339 -10.390  -1.252  -1.997
  512   2HB   GLN 339          2HB       GLN 339 -10.722   0.066  -3.112
  513   1HG   GLN 339          1HG       GLN 339 -10.708   0.858  -0.827
  514   2HG   GLN 339          2HG       GLN 339 -12.319   1.011  -1.526
  515   1HE2  GLN 339          1HE2      GLN 339 -10.335  -0.685   0.770
  516   2HE2  GLN 339          2HE2      GLN 339 -11.627  -1.430   1.643
  517    H    ARG 340           H        ARG 340 -12.055   0.166  -4.956
  518    HA   ARG 340           HA       ARG 340 -14.204   1.927  -4.533
  519   1HB   ARG 340          1HB       ARG 340 -12.257   2.445  -5.962
  520   2HB   ARG 340          2HB       ARG 340 -12.805   1.248  -7.128
  521   1HG   ARG 340          1HG       ARG 340 -14.829   2.546  -7.524
  522   2HG   ARG 340          2HG       ARG 340 -14.299   3.742  -6.340
  523   1HD   ARG 340          1HD       ARG 340 -12.301   4.180  -7.708
  524   2HD   ARG 340          2HD       ARG 340 -12.879   3.019  -8.902
  525    HE   ARG 340           HE       ARG 340 -14.877   4.935  -8.479
  526   1HH1  ARG 340          1HH1      ARG 340 -11.681   4.678  -9.844
  527   2HH1  ARG 340          2HH1      ARG 340 -11.927   5.955 -10.986
  528   1HH2  ARG 340          1HH2      ARG 340 -15.208   6.617  -9.981
  529   2HH2  ARG 340          2HH2      ARG 340 -13.931   7.059 -11.063
  530    H    ASN 341           H        ASN 341 -13.929  -1.091  -6.313
  531    HA   ASN 341           HA       ASN 341 -16.384  -0.973  -7.686
  532   1HB   ASN 341          1HB       ASN 341 -14.502  -2.593  -8.120
  533   2HB   ASN 341          2HB       ASN 341 -15.006  -3.471  -6.684
  534   1HD2  ASN 341          1HD2      ASN 341 -15.498  -5.323  -7.832
  535   2HD2  ASN 341          2HD2      ASN 341 -16.882  -5.436  -8.862
  536    H    ALA 342           H        ALA 342 -15.498  -2.457  -4.593
  537    HA   ALA 342           HA       ALA 342 -18.033  -3.457  -3.930
  538   1HB   ALA 342          1HB       ALA 342 -15.843  -2.561  -2.058
  539   2HB   ALA 342          2HB       ALA 342 -15.968  -4.153  -2.807
  540   3HB   ALA 342          3HB       ALA 342 -17.191  -3.624  -1.653
  541    H    LYS 343           H        LYS 343 -16.555  -0.301  -3.401
  542    HA   LYS 343           HA       LYS 343 -18.493   0.737  -1.641
  543   1HB   LYS 343          1HB       LYS 343 -16.302   1.785  -1.973
  544   2HB   LYS 343          2HB       LYS 343 -16.737   2.193  -3.628
  545   1HG   LYS 343          1HG       LYS 343 -18.508   3.656  -2.810
  546   2HG   LYS 343          2HG       LYS 343 -18.091   3.237  -1.146
  547   1HD   LYS 343          1HD       LYS 343 -15.856   4.185  -1.472
  548   2HD   LYS 343          2HD       LYS 343 -16.275   4.602  -3.135
  549   1HE   LYS 343          1HE       LYS 343 -16.463   6.535  -1.644
  550   2HE   LYS 343          2HE       LYS 343 -18.022   6.095  -2.340
  551   1HZ   LYS 343          1HZ       LYS 343 -18.592   4.977  -0.279
  552   2HZ   LYS 343          2HZ       LYS 343 -18.205   6.597   0.017
  553   3HZ   LYS 343          3HZ       LYS 343 -17.090   5.380   0.388
  554    H    GLU 344           H        GLU 344 -18.177   1.008  -5.174
  555    HA   GLU 344           HA       GLU 344 -20.541   2.517  -5.548
  556   1HB   GLU 344          1HB       GLU 344 -18.712   2.387  -7.210
  557   2HB   GLU 344          2HB       GLU 344 -19.119   0.703  -7.507
  558   1HG   GLU 344          1HG       GLU 344 -20.025   2.115  -9.245
  559   2HG   GLU 344          2HG       GLU 344 -21.325   1.377  -8.310
  560    H    ALA 345           H        ALA 345 -19.851  -0.944  -5.653
  561    HA   ALA 345           HA       ALA 345 -22.668  -1.538  -6.155
  562   1HB   ALA 345          1HB       ALA 345 -20.993  -2.731  -7.482
  563   2HB   ALA 345          2HB       ALA 345 -21.932  -3.840  -6.481
  564   3HB   ALA 345          3HB       ALA 345 -20.294  -3.394  -6.004
  565    H    GLY 346           H        GLY 346 -21.869  -0.392  -3.619
  566   1HA   GLY 346          1HA       GLY 346 -21.551  -2.216  -1.547
  567   2HA   GLY 346          2HA       GLY 346 -22.363  -0.666  -1.394
  568    H    GLY 347           H        GLY 347 -22.736  -4.077  -1.626
  569   1HA   GLY 347          1HA       GLY 347 -25.252  -4.156  -0.465
  570   2HA   GLY 347          2HA       GLY 347 -25.517  -4.159  -2.202
  571    H    ASN 348           H        ASN 348 -24.321  -5.944   0.527
  572    HA   ASN 348           HA       ASN 348 -23.884  -8.148   0.863
  573   1HB   ASN 348          1HB       ASN 348 -25.463  -8.476  -1.697
  574   2HB   ASN 348          2HB       ASN 348 -25.039  -9.780  -0.593
  575   1HD2  ASN 348          1HD2      ASN 348 -27.011  -6.968  -1.091
  576   2HD2  ASN 348          2HD2      ASN 348 -28.100  -7.249   0.220
  577    H    TYR 349           H        TYR 349 -22.248  -6.404  -1.116
  578    HA   TYR 349           HA       TYR 349 -20.830  -8.598  -2.465
  579   1HB   TYR 349          1HB       TYR 349 -21.579  -6.789  -3.944
  580   2HB   TYR 349          2HB       TYR 349 -20.696  -5.617  -2.970
  581    HD1  TYR 349           HD1      TYR 349 -20.366  -8.400  -5.357
  582    HD2  TYR 349           HD2      TYR 349 -18.314  -5.368  -3.188
  583    HE1  TYR 349           HE1      TYR 349 -18.371  -8.764  -6.747
  584    HE2  TYR 349           HE2      TYR 349 -16.313  -5.724  -4.574
  585    HH   TYR 349           HH       TYR 349 -15.325  -7.509  -5.957
  586    H    THR 350           H        THR 350 -18.622  -8.869  -2.218
  587    HA   THR 350           HA       THR 350 -17.324  -7.251  -0.135
  588    HB   THR 350           HB       THR 350 -17.959  -9.317   0.943
  589    HG1  THR 350           HG1      THR 350 -16.027  -9.550   1.817
  590   1HG2  THR 350          1HG2      THR 350 -17.180 -11.495   0.129
  591   2HG2  THR 350          2HG2      THR 350 -16.486 -10.717  -1.293
  592   3HG2  THR 350          3HG2      THR 350 -18.233 -10.711  -1.049
  593    HA   PRO 351           HA       PRO 351 -14.109  -6.866  -3.173
  594   1HB   PRO 351          1HB       PRO 351 -12.241  -6.439  -0.940
  595   2HB   PRO 351          2HB       PRO 351 -12.709  -5.336  -2.236
  596   1HG   PRO 351          1HG       PRO 351 -13.517  -4.966   0.301
  597   2HG   PRO 351          2HG       PRO 351 -14.541  -4.544  -1.083
  598   1HD   PRO 351          1HD       PRO 351 -14.670  -6.938   0.710
  599   2HD   PRO 351          2HD       PRO 351 -15.992  -5.958   0.040
  600    H    ALA 352           H        ALA 352 -12.250  -7.944  -3.941
  601    HA   ALA 352           HA       ALA 352 -12.071 -10.677  -3.245
  602   1HB   ALA 352          1HB       ALA 352 -11.596  -9.832  -5.498
  603   2HB   ALA 352          2HB       ALA 352 -10.260 -10.791  -4.862
  604   3HB   ALA 352          3HB       ALA 352 -10.149  -9.032  -4.886
  605    H    LEU 353           H        LEU 353  -9.722  -8.022  -2.828
  606    HA   LEU 353           HA       LEU 353  -8.228  -9.684  -0.939
  607   1HB   LEU 353          1HB       LEU 353  -7.547  -7.017  -2.178
  608   2HB   LEU 353          2HB       LEU 353  -6.508  -7.909  -1.084
  609    HG   LEU 353           HG       LEU 353  -7.380  -8.855  -3.817
  610   1HD1  LEU 353          1HD1      LEU 353  -4.722  -7.808  -2.859
  611   2HD1  LEU 353          2HD1      LEU 353  -5.841  -6.968  -3.933
  612   3HD1  LEU 353          3HD1      LEU 353  -5.064  -8.461  -4.462
  613   1HD2  LEU 353          1HD2      LEU 353  -5.694 -10.613  -3.473
  614   2HD2  LEU 353          2HD2      LEU 353  -7.013 -10.715  -2.306
  615   3HD2  LEU 353          3HD2      LEU 353  -5.457 -10.043  -1.821
  616    H    THR 354           H        THR 354  -7.982  -9.199   1.187
  617    HA   THR 354           HA       THR 354  -9.445  -6.848   2.205
  618    HB   THR 354           HB       THR 354  -9.961  -8.111   4.235
  619    HG1  THR 354           HG1      THR 354  -9.548 -10.495   4.020
  620   1HG2  THR 354          1HG2      THR 354 -11.569  -9.705   3.292
  621   2HG2  THR 354          2HG2      THR 354 -10.758  -9.600   1.730
  622   3HG2  THR 354          3HG2      THR 354 -11.573  -8.185   2.398
  623    H    GLU 355           H        GLU 355  -8.619  -5.996   4.266
  624    HA   GLU 355           HA       GLU 355  -5.985  -5.283   4.231
  625   1HB   GLU 355          1HB       GLU 355  -7.685  -5.663   6.704
  626   2HB   GLU 355          2HB       GLU 355  -6.214  -4.703   6.613
  627   1HG   GLU 355          1HG       GLU 355  -7.273  -3.191   5.038
  628   2HG   GLU 355          2HG       GLU 355  -8.738  -4.171   5.062
  629    H    GLN 356           H        GLN 356  -7.370  -8.015   6.049
  630    HA   GLN 356           HA       GLN 356  -4.972  -8.880   7.225
  631   1HB   GLN 356          1HB       GLN 356  -7.219  -9.641   7.932
  632   2HB   GLN 356          2HB       GLN 356  -7.369 -10.547   6.433
  633   1HG   GLN 356          1HG       GLN 356  -5.451 -11.924   7.077
  634   2HG   GLN 356          2HG       GLN 356  -5.323 -11.024   8.588
  635   1HE2  GLN 356          1HE2      GLN 356  -8.369 -11.867   7.106
  636   2HE2  GLN 356          2HE2      GLN 356  -8.857 -13.015   8.302
  637    H    GLU 357           H        GLU 357  -6.480  -9.626   4.130
  638    HA   GLU 357           HA       GLU 357  -4.721 -11.680   3.343
  639   1HB   GLU 357          1HB       GLU 357  -6.908 -11.226   2.268
  640   2HB   GLU 357          2HB       GLU 357  -6.244  -9.746   1.588
  641   1HG   GLU 357          1HG       GLU 357  -6.244 -11.462  -0.085
  642   2HG   GLU 357          2HG       GLU 357  -4.582 -11.086   0.363
  643    H    VAL 358           H        VAL 358  -4.634  -8.167   2.866
  644    HA   VAL 358           HA       VAL 358  -2.398  -8.087   1.166
  645    HB   VAL 358           HB       VAL 358  -2.837  -5.919   3.186
  646   1HG1  VAL 358          1HG1      VAL 358  -1.018  -5.740   1.549
  647   2HG1  VAL 358          2HG1      VAL 358  -2.234  -4.480   1.336
  648   3HG1  VAL 358          3HG1      VAL 358  -2.200  -5.861   0.241
  649   1HG2  VAL 358          1HG2      VAL 358  -5.077  -6.296   2.602
  650   2HG2  VAL 358          2HG2      VAL 358  -4.674  -6.609   0.915
  651   3HG2  VAL 358          3HG2      VAL 358  -4.545  -4.973   1.565
  652    H    TYR 359           H        TYR 359  -2.619  -7.637   4.687
  653    HA   TYR 359           HA       TYR 359   0.092  -7.366   5.223
  654   1HB   TYR 359          1HB       TYR 359  -1.737  -6.943   6.852
  655   2HB   TYR 359          2HB       TYR 359  -1.982  -8.681   6.991
  656    HD1  TYR 359           HD1      TYR 359  -0.552 -10.021   8.352
  657    HD2  TYR 359           HD2      TYR 359   0.369  -5.921   7.682
  658    HE1  TYR 359           HE1      TYR 359   1.143 -10.116  10.132
  659    HE2  TYR 359           HE2      TYR 359   2.067  -6.006   9.458
  660    HH   TYR 359           HH       TYR 359   2.596  -7.327  11.438
  661    H    ALA 360           H        ALA 360  -1.857 -10.261   4.783
  662    HA   ALA 360           HA       ALA 360   0.015 -12.149   5.699
  663   1HB   ALA 360          1HB       ALA 360  -2.119 -12.501   3.596
  664   2HB   ALA 360          2HB       ALA 360  -2.351 -12.663   5.337
  665   3HB   ALA 360          3HB       ALA 360  -1.301 -13.791   4.479
  666    H    GLN 361           H        GLN 361  -0.816 -11.426   2.298
  667    HA   GLN 361           HA       GLN 361   1.334 -12.814   1.170
  668   1HB   GLN 361          1HB       GLN 361  -0.099 -10.407   0.034
  669   2HB   GLN 361          2HB       GLN 361   0.848 -11.576  -0.877
  670   1HG   GLN 361          1HG       GLN 361  -0.747 -13.328  -0.283
  671   2HG   GLN 361          2HG       GLN 361  -1.696 -12.153   0.626
  672   1HE2  GLN 361          1HE2      GLN 361  -0.105 -11.423  -2.397
  673   2HE2  GLN 361          2HE2      GLN 361  -1.544 -11.251  -3.337
  674    H    VAL 362           H        VAL 362   1.007  -9.342   1.862
  675    HA   VAL 362           HA       VAL 362   3.474  -8.495   0.920
  676    HB   VAL 362           HB       VAL 362   1.779  -7.425   3.178
  677   1HG1  VAL 362          1HG1      VAL 362   4.232  -6.194   1.925
  678   2HG1  VAL 362          2HG1      VAL 362   4.045  -6.703   3.602
  679   3HG1  VAL 362          3HG1      VAL 362   3.104  -5.346   2.983
  680   1HG2  VAL 362          1HG2      VAL 362   2.207  -6.493   0.341
  681   2HG2  VAL 362          2HG2      VAL 362   1.175  -5.713   1.539
  682   3HG2  VAL 362          3HG2      VAL 362   0.782  -7.330   0.955
  683    H    ALA 363           H        ALA 363   2.628  -9.950   4.024
  684    HA   ALA 363           HA       ALA 363   5.167  -9.507   5.239
  685   1HB   ALA 363          1HB       ALA 363   3.060 -11.557   5.918
  686   2HB   ALA 363          2HB       ALA 363   3.161  -9.922   6.573
  687   3HB   ALA 363          3HB       ALA 363   4.425 -11.098   6.936
  688    H    ARG 364           H        ARG 364   3.748 -12.108   3.343
  689    HA   ARG 364           HA       ARG 364   5.760 -14.035   3.734
  690   1HB   ARG 364          1HB       ARG 364   3.562 -14.557   2.753
  691   2HB   ARG 364          2HB       ARG 364   3.972 -13.612   1.329
  692   1HG   ARG 364          1HG       ARG 364   4.269 -15.908   0.795
  693   2HG   ARG 364          2HG       ARG 364   5.871 -15.179   0.927
  694   1HD   ARG 364          1HD       ARG 364   5.835 -17.346   2.019
  695   2HD   ARG 364          2HD       ARG 364   6.075 -16.062   3.204
  696    HE   ARG 364           HE       ARG 364   3.351 -16.541   3.100
  697   1HH1  ARG 364          1HH1      ARG 364   6.240 -18.306   3.925
  698   2HH1  ARG 364          2HH1      ARG 364   5.441 -19.329   5.072
  699   1HH2  ARG 364          1HH2      ARG 364   2.292 -17.882   4.608
  700   2HH2  ARG 364          2HH2      ARG 364   3.196 -19.091   5.456
  701    H    LEU 365           H        LEU 365   5.428 -11.370   1.464
  702    HA   LEU 365           HA       LEU 365   7.668 -12.039  -0.149
  703   1HB   LEU 365          1HB       LEU 365   6.330  -9.368   0.297
  704   2HB   LEU 365          2HB       LEU 365   7.478  -9.724  -0.980
  705    HG   LEU 365           HG       LEU 365   4.808 -11.102  -0.684
  706   1HD1  LEU 365          1HD1      LEU 365   5.594  -8.849  -2.526
  707   2HD1  LEU 365          2HD1      LEU 365   4.527  -8.709  -1.129
  708   3HD1  LEU 365          3HD1      LEU 365   4.047  -9.694  -2.510
  709   1HD2  LEU 365          1HD2      LEU 365   6.766 -11.021  -2.977
  710   2HD2  LEU 365          2HD2      LEU 365   5.222 -11.872  -2.948
  711   3HD2  LEU 365          3HD2      LEU 365   6.529 -12.383  -1.882
  712    H    PHE 366           H        PHE 366   7.256 -10.246   2.823
  713    HA   PHE 366           HA       PHE 366  10.137  -9.631   2.827
  714   1HB   PHE 366          1HB       PHE 366   7.944  -8.286   4.418
  715   2HB   PHE 366          2HB       PHE 366   9.645  -7.835   4.410
  716    HD1  PHE 366           HD1      PHE 366  10.526  -7.557   1.815
  717    HD2  PHE 366           HD2      PHE 366   6.587  -6.859   3.269
  718    HE1  PHE 366           HE1      PHE 366  10.108  -6.022  -0.062
  719    HE2  PHE 366           HE2      PHE 366   6.163  -5.323   1.396
  720    HZ   PHE 366           HZ       PHE 366   7.924  -4.902  -0.274
  721    H    LYS 367           H        LYS 367  10.948 -11.484   3.727
  722    HA   LYS 367           HA       LYS 367   9.832 -12.394   6.277
  723   1HB   LYS 367          1HB       LYS 367  10.210 -14.088   4.531
  724   2HB   LYS 367          2HB       LYS 367  11.919 -13.671   4.496
  725   1HG   LYS 367          1HG       LYS 367  12.192 -14.452   6.768
  726   2HG   LYS 367          2HG       LYS 367  10.462 -14.782   6.887
  727   1HD   LYS 367          1HD       LYS 367  11.635 -16.846   6.465
  728   2HD   LYS 367          2HD       LYS 367  10.691 -16.416   5.038
  729   1HE   LYS 367          1HE       LYS 367  12.689 -15.530   3.965
  730   2HE   LYS 367          2HE       LYS 367  13.641 -15.900   5.402
  731   1HZ   LYS 367          1HZ       LYS 367  12.246 -17.895   3.701
  732   2HZ   LYS 367          2HZ       LYS 367  13.179 -18.244   5.067
  733   3HZ   LYS 367          3HZ       LYS 367  13.909 -17.586   3.690
  734    H    ASN 368           H        ASN 368  12.458 -10.633   4.976
  735    HA   ASN 368           HA       ASN 368  13.900 -10.816   7.540
  736   1HB   ASN 368          1HB       ASN 368  15.923 -10.166   6.335
  737   2HB   ASN 368          2HB       ASN 368  15.214 -11.604   5.609
  738   1HD2  ASN 368          1HD2      ASN 368  17.022  -9.613   4.476
  739   2HD2  ASN 368          2HD2      ASN 368  16.225  -8.989   3.076
  740    H    GLN 369           H        GLN 369  11.821  -8.890   5.896
  741    HA   GLN 369           HA       GLN 369  12.990  -6.421   7.000
  742   1HB   GLN 369          1HB       GLN 369  11.087  -6.751   4.674
  743   2HB   GLN 369          2HB       GLN 369  11.617  -5.206   5.325
  744   1HG   GLN 369          1HG       GLN 369  13.393  -7.294   4.083
  745   2HG   GLN 369          2HG       GLN 369  12.844  -5.809   3.309
  746   1HE2  GLN 369          1HE2      GLN 369  15.550  -6.733   3.864
  747   2HE2  GLN 369          2HE2      GLN 369  16.289  -5.505   4.831
  748    H    GLU 370           H        GLU 370  12.054  -6.926   9.057
  749    HA   GLU 370           HA       GLU 370   9.208  -7.163   9.337
  750   1HB   GLU 370          1HB       GLU 370   9.607  -7.228  11.704
  751   2HB   GLU 370          2HB       GLU 370  10.843  -8.196  10.915
  752   1HG   GLU 370          1HG       GLU 370  11.222  -5.368  11.872
  753   2HG   GLU 370          2HG       GLU 370  11.713  -6.812  12.755
  754    H    ASP 371           H        ASP 371  11.521  -4.561   9.389
  755    HA   ASP 371           HA       ASP 371  10.011  -2.626  10.748
  756   1HB   ASP 371          1HB       ASP 371  12.430  -2.407  10.195
  757   2HB   ASP 371          2HB       ASP 371  11.992  -2.163   8.506
  758    H    LEU 372           H        LEU 372  10.315  -3.256   7.255
  759    HA   LEU 372           HA       LEU 372   8.534  -1.301   6.367
  760   1HB   LEU 372          1HB       LEU 372   9.533  -3.884   5.257
  761   2HB   LEU 372          2HB       LEU 372   8.188  -3.097   4.455
  762    HG   LEU 372           HG       LEU 372   9.526  -1.131   4.016
  763   1HD1  LEU 372          1HD1      LEU 372  11.911  -1.061   4.606
  764   2HD1  LEU 372          2HD1      LEU 372  11.711  -2.547   5.535
  765   3HD1  LEU 372          3HD1      LEU 372  10.868  -1.078   6.027
  766   1HD2  LEU 372          1HD2      LEU 372  11.180  -2.093   2.505
  767   2HD2  LEU 372          2HD2      LEU 372   9.658  -2.981   2.426
  768   3HD2  LEU 372          3HD2      LEU 372  11.025  -3.652   3.316
  769    H    LEU 373           H        LEU 373   7.952  -4.654   7.337
  770    HA   LEU 373           HA       LEU 373   5.245  -4.809   6.666
  771   1HB   LEU 373          1HB       LEU 373   6.801  -6.679   7.405
  772   2HB   LEU 373          2HB       LEU 373   6.514  -6.144   9.049
  773    HG   LEU 373           HG       LEU 373   4.103  -6.599   8.760
  774   1HD1  LEU 373          1HD1      LEU 373   3.357  -7.897   6.818
  775   2HD1  LEU 373          2HD1      LEU 373   4.953  -7.711   6.090
  776   3HD1  LEU 373          3HD1      LEU 373   3.935  -6.296   6.357
  777   1HD2  LEU 373          1HD2      LEU 373   4.284  -9.044   8.772
  778   2HD2  LEU 373          2HD2      LEU 373   5.539  -8.286   9.753
  779   3HD2  LEU 373          3HD2      LEU 373   5.930  -8.918   8.153
  780    H    SER 374           H        SER 374   6.786  -3.879   9.727
  781    HA   SER 374           HA       SER 374   4.469  -3.389  11.198
  782   1HB   SER 374          1HB       SER 374   7.188  -2.072  11.395
  783   2HB   SER 374          2HB       SER 374   5.918  -1.931  12.612
  784    HG   SER 374           HG       SER 374   6.316  -3.906  13.267
  785    H    GLU 375           H        GLU 375   6.281  -1.316   8.997
  786    HA   GLU 375           HA       GLU 375   4.961   1.096   9.512
  787   1HB   GLU 375          1HB       GLU 375   6.259   0.054   6.992
  788   2HB   GLU 375          2HB       GLU 375   5.669   1.700   7.166
  789   1HG   GLU 375          1HG       GLU 375   7.789   0.419   8.876
  790   2HG   GLU 375          2HG       GLU 375   8.082   1.525   7.534
  791    H    PHE 376           H        PHE 376   4.295  -1.371   7.031
  792    HA   PHE 376           HA       PHE 376   2.057  -0.155   5.889
  793   1HB   PHE 376          1HB       PHE 376   3.284  -2.133   4.963
  794   2HB   PHE 376          2HB       PHE 376   2.514  -3.130   6.193
  795    HD1  PHE 376           HD1      PHE 376   0.361  -3.999   5.864
  796    HD2  PHE 376           HD2      PHE 376   1.826  -0.948   3.283
  797    HE1  PHE 376           HE1      PHE 376  -1.568  -4.339   4.373
  798    HE2  PHE 376           HE2      PHE 376  -0.101  -1.281   1.790
  799    HZ   PHE 376           HZ       PHE 376  -1.801  -2.979   2.334
  800    H    GLY 377           H        GLY 377   2.356  -2.243   8.714
  801   1HA   GLY 377          1HA       GLY 377  -0.418  -2.628   9.144
  802   2HA   GLY 377          2HA       GLY 377   0.847  -2.829  10.347
  803    H    GLN 378           H        GLN 378   1.829  -0.121  10.180
  804    HA   GLN 378           HA       GLN 378   0.229   1.100  12.125
  805   1HB   GLN 378          1HB       GLN 378   2.356   2.223  10.304
  806   2HB   GLN 378          2HB       GLN 378   1.589   3.168  11.574
  807   1HG   GLN 378          1HG       GLN 378   2.426   1.667  13.259
  808   2HG   GLN 378          2HG       GLN 378   3.095   0.603  12.024
  809   1HE2  GLN 378          1HE2      GLN 378   5.175   0.795  12.841
  810   2HE2  GLN 378          2HE2      GLN 378   6.111   2.235  12.655
  811    H    PHE 379           H        PHE 379   0.497   1.762   8.643
  812    HA   PHE 379           HA       PHE 379  -1.268   3.923   8.530
  813   1HB   PHE 379          1HB       PHE 379  -0.638   1.831   6.446
  814   2HB   PHE 379          2HB       PHE 379  -1.537   3.308   6.127
  815    HD1  PHE 379           HD1      PHE 379   1.647   1.813   6.160
  816    HD2  PHE 379           HD2      PHE 379  -0.337   5.527   6.778
  817    HE1  PHE 379           HE1      PHE 379   3.759   3.005   5.747
  818    HE2  PHE 379           HE2      PHE 379   1.772   6.725   6.366
  819    HZ   PHE 379           HZ       PHE 379   3.823   5.465   5.849
  820    H    LEU 380           H        LEU 380  -1.875   0.510   8.784
  821    HA   LEU 380           HA       LEU 380  -4.649   0.707   8.027
  822   1HB   LEU 380          1HB       LEU 380  -3.018  -1.521   9.242
  823   2HB   LEU 380          2HB       LEU 380  -4.724  -1.672   8.872
  824    HG   LEU 380           HG       LEU 380  -2.629  -1.024   6.803
  825   1HD1  LEU 380          1HD1      LEU 380  -3.862  -3.682   7.512
  826   2HD1  LEU 380          2HD1      LEU 380  -2.176  -3.217   7.735
  827   3HD1  LEU 380          3HD1      LEU 380  -2.841  -3.367   6.108
  828   1HD2  LEU 380          1HD2      LEU 380  -5.488  -1.954   6.558
  829   2HD2  LEU 380          2HD2      LEU 380  -4.375  -1.652   5.223
  830   3HD2  LEU 380          3HD2      LEU 380  -4.905  -0.318   6.249
  831    HA   PRO 381           HA       PRO 381  -6.225   1.758  12.025
  832   1HB   PRO 381          1HB       PRO 381  -8.752   0.839  11.841
  833   2HB   PRO 381          2HB       PRO 381  -8.192   2.241  10.920
  834   1HG   PRO 381          1HG       PRO 381  -8.527  -0.599  10.033
  835   2HG   PRO 381          2HG       PRO 381  -8.966   0.897   9.187
  836   1HD   PRO 381          1HD       PRO 381  -6.698  -0.512   8.646
  837   2HD   PRO 381          2HD       PRO 381  -6.825   1.244   8.430
  838    H    ASP 382           H        ASP 382  -8.035   0.485  13.582
  839    HA   ASP 382           HA       ASP 382  -6.516  -1.806  14.522
  840   1HB   ASP 382          1HB       ASP 382  -7.161  -0.115  16.155
  841   2HB   ASP 382          2HB       ASP 382  -8.858  -0.328  15.742
  842    H    ALA 383           H        ALA 383  -7.005  -3.483  13.157
  843    HA   ALA 383           HA       ALA 383  -9.826  -4.226  12.845
  844   1HB   ALA 383          1HB       ALA 383  -7.402  -5.281  11.393
  845   2HB   ALA 383          2HB       ALA 383  -8.499  -4.040  10.791
  846   3HB   ALA 383          3HB       ALA 383  -9.084  -5.684  11.046
  Start of MODEL   14
    1   1H    ARG   6          1H        ARG   6 -10.327   6.241   5.566
    2   2H    ARG   6          2H        ARG   6  -9.707   7.579   4.736
    3   3H    ARG   6          3H        ARG   6  -9.058   7.138   6.234
    4    HA   ARG   6           HA       ARG   6  -8.199   5.107   5.348
    5   1HB   ARG   6          1HB       ARG   6  -9.998   4.731   3.706
    6   2HB   ARG   6          2HB       ARG   6  -9.385   6.060   2.732
    7   1HG   ARG   6          1HG       ARG   6  -7.283   4.830   2.407
    8   2HG   ARG   6          2HG       ARG   6  -7.944   3.487   3.343
    9   1HD   ARG   6          1HD       ARG   6  -9.765   3.269   1.702
   10   2HD   ARG   6          2HD       ARG   6  -9.055   4.577   0.758
   11    HE   ARG   6           HE       ARG   6  -7.102   2.616   1.125
   12   1HH1  ARG   6          1HH1      ARG   6 -10.158   3.025  -0.498
   13   2HH1  ARG   6          2HH1      ARG   6  -9.790   1.890  -1.753
   14   1HH2  ARG   6          1HH2      ARG   6  -6.608   1.121  -0.525
   15   2HH2  ARG   6          2HH2      ARG   6  -7.774   0.805  -1.766
   16    H    MET   7           H        MET   7  -6.081   5.409   5.315
   17    HA   MET   7           HA       MET   7  -4.866   7.261   3.455
   18   1HB   MET   7          1HB       MET   7  -3.644   8.514   5.176
   19   2HB   MET   7          2HB       MET   7  -5.380   8.737   5.331
   20   1HG   MET   7          1HG       MET   7  -5.417   7.089   7.145
   21   2HG   MET   7          2HG       MET   7  -3.669   6.911   7.002
   22   1HE   MET   7          1HE       MET   7  -3.293   7.474   9.577
   23   2HE   MET   7          2HE       MET   7  -5.048   7.546   9.741
   24   3HE   MET   7          3HE       MET   7  -4.048   8.851  10.379
   25    H    ASN   8           H        ASN   8  -4.939   4.344   4.486
   26    HA   ASN   8           HA       ASN   8  -2.182   3.887   5.235
   27   1HB   ASN   8          1HB       ASN   8  -3.699   2.409   6.281
   28   2HB   ASN   8          2HB       ASN   8  -4.551   2.083   4.775
   29   1HD2  ASN   8          1HD2      ASN   8  -1.063   2.143   5.111
   30   2HD2  ASN   8          2HD2      ASN   8  -0.819   0.457   4.835
   31    H    ILE   9           H        ILE   9  -4.050   2.147   2.781
   32    HA   ILE   9           HA       ILE   9  -1.704   1.853   1.143
   33    HB   ILE   9           HB       ILE   9  -4.557   0.975   0.684
   34   1HG1  ILE   9          1HG1      ILE   9  -2.081  -0.500   1.612
   35   2HG1  ILE   9          2HG1      ILE   9  -3.509  -0.135   2.574
   36   1HG2  ILE   9          1HG2      ILE   9  -3.662  -0.426  -1.111
   37   2HG2  ILE   9          2HG2      ILE   9  -2.062   0.272  -0.862
   38   3HG2  ILE   9          3HG2      ILE   9  -3.387   1.285  -1.438
   39   1HD1  ILE   9          1HD1      ILE   9  -3.359  -2.485   1.801
   40   2HD1  ILE   9          2HD1      ILE   9  -3.530  -1.906   0.145
   41   3HD1  ILE   9          3HD1      ILE   9  -4.832  -1.656   1.307
   42    H    GLN  10           H        GLN  10  -4.583   3.839   1.133
   43    HA   GLN  10           HA       GLN  10  -4.493   4.712  -1.538
   44   1HB   GLN  10          1HB       GLN  10  -6.439   5.076  -0.099
   45   2HB   GLN  10          2HB       GLN  10  -5.501   6.158   0.920
   46   1HG   GLN  10          1HG       GLN  10  -5.262   7.718  -0.930
   47   2HG   GLN  10          2HG       GLN  10  -6.166   6.627  -1.978
   48   1HE2  GLN  10          1HE2      GLN  10  -6.337   8.854   0.681
   49   2HE2  GLN  10          2HE2      GLN  10  -8.056   9.035   0.686
   50    H    MET  11           H        MET  11  -2.936   5.931   1.389
   51    HA   MET  11           HA       MET  11  -1.819   8.247   0.201
   52   1HB   MET  11          1HB       MET  11  -2.152   7.847   2.664
   53   2HB   MET  11          2HB       MET  11  -0.778   6.751   2.606
   54   1HG   MET  11          1HG       MET  11  -0.068   8.891   3.420
   55   2HG   MET  11          2HG       MET  11   0.636   8.602   1.830
   56   1HE   MET  11          1HE       MET  11  -2.975  11.386   2.543
   57   2HE   MET  11          2HE       MET  11  -2.126  10.555   3.847
   58   3HE   MET  11          3HE       MET  11  -3.052   9.628   2.668
   59    H    LEU  12           H        LEU  12  -0.662   4.949   0.659
   60    HA   LEU  12           HA       LEU  12   2.001   5.428  -0.184
   61   1HB   LEU  12          1HB       LEU  12   0.394   2.873  -0.213
   62   2HB   LEU  12          2HB       LEU  12   2.130   2.976  -0.435
   63    HG   LEU  12           HG       LEU  12   0.682   3.815   2.077
   64   1HD1  LEU  12          1HD1      LEU  12   2.263   1.311   1.514
   65   2HD1  LEU  12          2HD1      LEU  12   0.510   1.403   1.691
   66   3HD1  LEU  12          3HD1      LEU  12   1.556   1.773   3.062
   67   1HD2  LEU  12          1HD2      LEU  12   2.785   4.995   1.729
   68   2HD2  LEU  12          2HD2      LEU  12   3.617   3.459   1.481
   69   3HD2  LEU  12          3HD2      LEU  12   2.924   3.843   3.057
   70    H    LEU  13           H        LEU  13  -0.958   4.554  -1.868
   71    HA   LEU  13           HA       LEU  13   0.291   3.979  -4.362
   72   1HB   LEU  13          1HB       LEU  13  -2.553   4.632  -3.612
   73   2HB   LEU  13          2HB       LEU  13  -2.062   4.275  -5.258
   74    HG   LEU  13           HG       LEU  13  -1.700   2.372  -2.943
   75   1HD1  LEU  13          1HD1      LEU  13  -3.831   2.418  -5.075
   76   2HD1  LEU  13          2HD1      LEU  13  -4.070   2.772  -3.365
   77   3HD1  LEU  13          3HD1      LEU  13  -3.597   1.150  -3.872
   78   1HD2  LEU  13          1HD2      LEU  13  -1.332   0.723  -4.726
   79   2HD2  LEU  13          2HD2      LEU  13  -0.128   2.011  -4.759
   80   3HD2  LEU  13          3HD2      LEU  13  -1.450   2.009  -5.926
   81    H    GLU  14           H        GLU  14  -1.198   6.856  -2.951
   82    HA   GLU  14           HA       GLU  14  -1.102   8.463  -5.265
   83   1HB   GLU  14          1HB       GLU  14  -2.463   9.032  -3.304
   84   2HB   GLU  14          2HB       GLU  14  -1.005   9.275  -2.352
   85   1HG   GLU  14          1HG       GLU  14  -1.956  11.389  -3.052
   86   2HG   GLU  14          2HG       GLU  14  -0.369  11.140  -3.777
   87    H    ALA  15           H        ALA  15   1.148   8.118  -2.539
   88    HA   ALA  15           HA       ALA  15   3.058   9.976  -3.472
   89   1HB   ALA  15          1HB       ALA  15   3.408   7.623  -1.617
   90   2HB   ALA  15          2HB       ALA  15   2.986   9.271  -1.149
   91   3HB   ALA  15          3HB       ALA  15   4.572   8.928  -1.842
   92    H    ALA  16           H        ALA  16   2.768   6.464  -3.852
   93    HA   ALA  16           HA       ALA  16   5.210   6.013  -5.148
   94   1HB   ALA  16          1HB       ALA  16   3.831   4.209  -4.232
   95   2HB   ALA  16          2HB       ALA  16   4.225   3.920  -5.927
   96   3HB   ALA  16          3HB       ALA  16   2.620   4.500  -5.481
   97    H    ASP  17           H        ASP  17   2.033   6.908  -6.405
   98    HA   ASP  17           HA       ASP  17   2.755   6.725  -9.149
   99   1HB   ASP  17          1HB       ASP  17   0.414   6.621  -8.416
  100   2HB   ASP  17          2HB       ASP  17   0.515   8.281  -7.834
  101    H    TYR  18           H        TYR  18   2.846   9.278  -6.745
  102    HA   TYR  18           HA       TYR  18   3.287  11.466  -8.437
  103   1HB   TYR  18          1HB       TYR  18   2.745  11.766  -6.086
  104   2HB   TYR  18          2HB       TYR  18   4.239  10.971  -5.607
  105    HD1  TYR  18           HD1      TYR  18   6.375  12.131  -5.765
  106    HD2  TYR  18           HD2      TYR  18   2.754  14.056  -6.901
  107    HE1  TYR  18           HE1      TYR  18   7.523  14.304  -5.723
  108    HE2  TYR  18           HE2      TYR  18   3.894  16.234  -6.865
  109    HH   TYR  18           HH       TYR  18   5.900  17.244  -5.759
  110    H    LEU  19           H        LEU  19   5.692   9.585  -6.595
  111    HA   LEU  19           HA       LEU  19   7.951  10.758  -7.780
  112   1HB   LEU  19          1HB       LEU  19   7.798   7.955  -6.687
  113   2HB   LEU  19          2HB       LEU  19   9.212   8.985  -6.789
  114    HG   LEU  19           HG       LEU  19   6.824   9.571  -5.044
  115   1HD1  LEU  19          1HD1      LEU  19   8.224   8.845  -3.179
  116   2HD1  LEU  19          2HD1      LEU  19   9.487   8.358  -4.309
  117   3HD1  LEU  19          3HD1      LEU  19   7.932   7.526  -4.313
  118   1HD2  LEU  19          1HD2      LEU  19   8.109  11.543  -5.692
  119   2HD2  LEU  19          2HD2      LEU  19   9.592  10.769  -5.136
  120   3HD2  LEU  19          3HD2      LEU  19   8.326  11.179  -3.980
  121    H    GLU  20           H        GLU  20   6.119   7.851  -8.622
  122    HA   GLU  20           HA       GLU  20   7.796   6.821 -10.589
  123   1HB   GLU  20          1HB       GLU  20   5.815   5.652  -9.672
  124   2HB   GLU  20          2HB       GLU  20   4.773   6.755 -10.560
  125   1HG   GLU  20          1HG       GLU  20   5.704   5.937 -12.665
  126   2HG   GLU  20          2HG       GLU  20   6.740   4.825 -11.772
  127    H    ARG  21           H        ARG  21   5.141   9.159 -10.917
  128    HA   ARG  21           HA       ARG  21   6.335  10.024 -13.460
  129   1HB   ARG  21          1HB       ARG  21   3.376   9.687 -12.931
  130   2HB   ARG  21          2HB       ARG  21   4.081  10.356 -14.395
  131   1HG   ARG  21          1HG       ARG  21   5.175   8.206 -14.839
  132   2HG   ARG  21          2HG       ARG  21   4.423   7.539 -13.389
  133   1HD   ARG  21          1HD       ARG  21   2.952   8.652 -15.776
  134   2HD   ARG  21          2HD       ARG  21   3.197   6.940 -15.434
  135    HE   ARG  21           HE       ARG  21   1.944   8.227 -13.243
  136   1HH1  ARG  21          1HH1      ARG  21   1.318   7.043 -16.463
  137   2HH1  ARG  21          2HH1      ARG  21  -0.366   6.761 -16.169
  138   1HH2  ARG  21          1HH2      ARG  21  -0.271   7.857 -12.852
  139   2HH2  ARG  21          2HH2      ARG  21  -1.269   7.224 -14.119
  140   1H    SER 295          1H        SER 295 -11.080  13.524  -3.839
  141   2H    SER 295          2H        SER 295 -10.886  13.460  -5.518
  142   3H    SER 295          3H        SER 295 -11.236  14.934  -4.763
  143    HA   SER 295           HA       SER 295  -8.760  13.353  -4.386
  144   1HB   SER 295          1HB       SER 295  -9.236  15.936  -5.898
  145   2HB   SER 295          2HB       SER 295  -7.661  15.192  -5.621
  146    HG   SER 295           HG       SER 295  -8.161  14.345  -7.514
  147    H    LEU 296           H        LEU 296  -7.256  14.227  -2.969
  148    HA   LEU 296           HA       LEU 296  -8.389  15.863  -0.873
  149   1HB   LEU 296          1HB       LEU 296  -5.663  14.600  -1.166
  150   2HB   LEU 296          2HB       LEU 296  -6.205  15.469   0.255
  151    HG   LEU 296           HG       LEU 296  -8.099  13.741   0.376
  152   1HD1  LEU 296          1HD1      LEU 296  -6.223  12.322  -1.507
  153   2HD1  LEU 296          2HD1      LEU 296  -7.892  12.794  -1.831
  154   3HD1  LEU 296          3HD1      LEU 296  -7.544  11.556  -0.625
  155   1HD2  LEU 296          1HD2      LEU 296  -6.661  12.138   1.553
  156   2HD2  LEU 296          2HD2      LEU 296  -6.255  13.807   1.955
  157   3HD2  LEU 296          3HD2      LEU 296  -5.241  12.898   0.834
  158    H    GLN 297           H        GLN 297  -7.006  17.634   0.083
  159    HA   GLN 297           HA       GLN 297  -6.575  19.631  -1.888
  160   1HB   GLN 297          1HB       GLN 297  -5.840  19.611   1.045
  161   2HB   GLN 297          2HB       GLN 297  -5.828  21.029   0.007
  162   1HG   GLN 297          1HG       GLN 297  -8.228  20.821  -0.330
  163   2HG   GLN 297          2HG       GLN 297  -8.251  19.374   0.677
  164   1HE2  GLN 297          1HE2      GLN 297  -6.264  22.161   1.363
  165   2HE2  GLN 297          2HE2      GLN 297  -7.120  22.668   2.776
  166    H    ASN 298           H        ASN 298  -4.502  20.953  -1.911
  167    HA   ASN 298           HA       ASN 298  -2.214  19.101  -2.019
  168   1HB   ASN 298          1HB       ASN 298  -2.924  19.968  -4.218
  169   2HB   ASN 298          2HB       ASN 298  -2.672  21.614  -3.642
  170   1HD2  ASN 298          1HD2      ASN 298  -1.140  22.031  -5.222
  171   2HD2  ASN 298          2HD2      ASN 298   0.451  21.361  -5.163
  172    H    ASN 299           H        ASN 299  -1.557  19.458   0.108
  173    HA   ASN 299           HA       ASN 299  -0.148  21.996   0.507
  174   1HB   ASN 299          1HB       ASN 299  -2.021  20.708   2.503
  175   2HB   ASN 299          2HB       ASN 299  -0.873  21.978   2.916
  176   1HD2  ASN 299          1HD2      ASN 299  -3.800  21.923   3.033
  177   2HD2  ASN 299          2HD2      ASN 299  -4.332  23.267   2.088
  178    H    GLN 300           H        GLN 300   0.107  18.824   0.177
  179    HA   GLN 300           HA       GLN 300   1.610  17.221   0.749
  180   1HB   GLN 300          1HB       GLN 300   3.095  19.769   1.131
  181   2HB   GLN 300          2HB       GLN 300   3.816  18.311   1.793
  182   1HG   GLN 300          1HG       GLN 300   4.725  18.643  -0.357
  183   2HG   GLN 300          2HG       GLN 300   3.628  17.273  -0.436
  184   1HE2  GLN 300          1HE2      GLN 300   4.621  19.036  -2.546
  185   2HE2  GLN 300          2HE2      GLN 300   3.222  19.704  -3.309
  186    HA   PRO 301           HA       PRO 301   0.138  17.465   5.199
  187   1HB   PRO 301          1HB       PRO 301  -0.742  14.727   4.501
  188   2HB   PRO 301          2HB       PRO 301  -1.626  16.019   5.319
  189   1HG   PRO 301          1HG       PRO 301  -2.199  15.339   2.802
  190   2HG   PRO 301          2HG       PRO 301  -2.252  17.030   3.333
  191   1HD   PRO 301          1HD       PRO 301  -0.149  15.605   1.751
  192   2HD   PRO 301          2HD       PRO 301  -0.790  17.249   1.550
  193    H    VAL 302           H        VAL 302   0.523  15.688   6.911
  194    HA   VAL 302           HA       VAL 302   3.289  15.047   6.889
  195    HB   VAL 302           HB       VAL 302   1.147  14.060   8.781
  196   1HG1  VAL 302          1HG1      VAL 302   3.157  12.714   8.918
  197   2HG1  VAL 302          2HG1      VAL 302   3.020  13.737  10.349
  198   3HG1  VAL 302          3HG1      VAL 302   4.149  14.164   9.064
  199   1HG2  VAL 302          1HG2      VAL 302   2.952  16.471   8.953
  200   2HG2  VAL 302          2HG2      VAL 302   1.898  15.894  10.243
  201   3HG2  VAL 302          3HG2      VAL 302   1.202  16.483   8.735
  202    H    GLU 303           H        GLU 303   0.374  12.993   6.866
  203    HA   GLU 303           HA       GLU 303   1.611  10.525   6.664
  204   1HB   GLU 303          1HB       GLU 303  -1.016  11.441   5.498
  205   2HB   GLU 303          2HB       GLU 303  -0.508   9.760   5.590
  206   1HG   GLU 303          1HG       GLU 303  -1.022  11.627   7.890
  207   2HG   GLU 303          2HG       GLU 303  -1.983  10.233   7.405
  208    H    PHE 304           H        PHE 304   0.979  12.926   4.201
  209    HA   PHE 304           HA       PHE 304   1.418  11.377   1.912
  210   1HB   PHE 304          1HB       PHE 304   0.484  13.657   1.859
  211   2HB   PHE 304          2HB       PHE 304   2.046  14.306   2.346
  212    HD1  PHE 304           HD1      PHE 304   3.786  14.634   0.774
  213    HD2  PHE 304           HD2      PHE 304   0.219  12.614  -0.368
  214    HE1  PHE 304           HE1      PHE 304   4.451  14.807  -1.588
  215    HE2  PHE 304           HE2      PHE 304   0.879  12.780  -2.734
  216    HZ   PHE 304           HZ       PHE 304   2.996  13.878  -3.346
  217    H    ASN 305           H        ASN 305   3.718  13.620   3.464
  218    HA   ASN 305           HA       ASN 305   5.978  12.891   2.049
  219   1HB   ASN 305          1HB       ASN 305   5.905  14.836   3.539
  220   2HB   ASN 305          2HB       ASN 305   5.809  13.775   4.940
  221   1HD2  ASN 305          1HD2      ASN 305   7.631  12.648   5.602
  222   2HD2  ASN 305          2HD2      ASN 305   9.216  13.054   5.049
  223    H    HIS 306           H        HIS 306   4.532  11.368   4.881
  224    HA   HIS 306           HA       HIS 306   6.610   9.619   5.546
  225   1HB   HIS 306          1HB       HIS 306   3.619   9.406   5.858
  226   2HB   HIS 306          2HB       HIS 306   4.708   8.152   6.441
  227    HD1  HIS 306           HD1      HIS 306   3.799   8.727   8.855
  228    HD2  HIS 306           HD2      HIS 306   5.968  11.753   7.010
  229    HE1  HIS 306           HE1      HIS 306   4.389  10.346  10.687
  230    HE2  HIS 306           HE2      HIS 306   5.664  12.191   9.540
  231    H    ALA 307           H        ALA 307   3.874   9.190   3.328
  232    HA   ALA 307           HA       ALA 307   4.534   6.562   2.533
  233   1HB   ALA 307          1HB       ALA 307   2.989   8.653   0.999
  234   2HB   ALA 307          2HB       ALA 307   2.310   7.553   2.199
  235   3HB   ALA 307          3HB       ALA 307   2.980   6.915   0.697
  236    H    ILE 308           H        ILE 308   5.587   9.718   1.484
  237    HA   ILE 308           HA       ILE 308   6.741   9.021  -0.984
  238    HB   ILE 308           HB       ILE 308   7.593  11.185   0.944
  239   1HG1  ILE 308          1HG1      ILE 308   5.177  11.170   0.125
  240   2HG1  ILE 308          2HG1      ILE 308   6.093  12.641  -0.166
  241   1HG2  ILE 308          1HG2      ILE 308   8.186  10.815  -1.989
  242   2HG2  ILE 308          2HG2      ILE 308   9.342  10.766  -0.657
  243   3HG2  ILE 308          3HG2      ILE 308   8.534  12.280  -1.069
  244   1HD1  ILE 308          1HD1      ILE 308   5.816  10.512  -2.253
  245   2HD1  ILE 308          2HD1      ILE 308   6.279  12.201  -2.454
  246   3HD1  ILE 308          3HD1      ILE 308   4.617  11.785  -2.039
  247    H    ASN 309           H        ASN 309   8.254   9.371   2.225
  248    HA   ASN 309           HA       ASN 309  10.800   8.451   1.382
  249   1HB   ASN 309          1HB       ASN 309  10.542   9.872   3.350
  250   2HB   ASN 309          2HB       ASN 309   9.609   8.616   4.156
  251   1HD2  ASN 309          1HD2      ASN 309  12.402   7.954   2.169
  252   2HD2  ASN 309          2HD2      ASN 309  13.437   7.444   3.454
  253    H    TYR 310           H        TYR 310   7.950   6.840   2.616
  254    HA   TYR 310           HA       TYR 310   9.201   4.383   3.288
  255   1HB   TYR 310          1HB       TYR 310   6.980   5.052   4.138
  256   2HB   TYR 310          2HB       TYR 310   6.322   4.904   2.512
  257    HD1  TYR 310           HD1      TYR 310   8.121   2.899   5.100
  258    HD2  TYR 310           HD2      TYR 310   5.351   2.898   1.871
  259    HE1  TYR 310           HE1      TYR 310   7.635   0.527   5.526
  260    HE2  TYR 310           HE2      TYR 310   4.856   0.526   2.289
  261    HH   TYR 310           HH       TYR 310   5.789  -1.078   5.104
  262    H    VAL 311           H        VAL 311   7.224   5.294   0.460
  263    HA   VAL 311           HA       VAL 311   7.629   2.914  -0.974
  264    HB   VAL 311           HB       VAL 311   7.021   5.680  -2.036
  265   1HG1  VAL 311          1HG1      VAL 311   6.734   2.979  -3.348
  266   2HG1  VAL 311          2HG1      VAL 311   7.861   4.256  -3.807
  267   3HG1  VAL 311          3HG1      VAL 311   6.126   4.499  -4.002
  268   1HG2  VAL 311          1HG2      VAL 311   5.171   3.393  -1.361
  269   2HG2  VAL 311          2HG2      VAL 311   4.697   4.950  -2.039
  270   3HG2  VAL 311          3HG2      VAL 311   5.374   4.866  -0.413
  271    H    ASN 312           H        ASN 312   9.416   5.959  -0.919
  272    HA   ASN 312           HA       ASN 312  11.156   5.378  -3.064
  273   1HB   ASN 312          1HB       ASN 312  10.868   7.654  -2.227
  274   2HB   ASN 312          2HB       ASN 312  11.558   7.191  -0.674
  275   1HD2  ASN 312          1HD2      ASN 312  12.209   7.857  -4.020
  276   2HD2  ASN 312          2HD2      ASN 312  13.924   7.994  -3.870
  277    H    LYS 313           H        LYS 313  11.355   4.781   0.407
  278    HA   LYS 313           HA       LYS 313  14.019   3.890   0.484
  279   1HB   LYS 313          1HB       LYS 313  12.723   4.506   2.489
  280   2HB   LYS 313          2HB       LYS 313  11.714   3.083   2.267
  281   1HG   LYS 313          1HG       LYS 313  13.691   1.656   2.571
  282   2HG   LYS 313          2HG       LYS 313  14.668   3.099   2.852
  283   1HD   LYS 313          1HD       LYS 313  13.278   3.656   4.792
  284   2HD   LYS 313          2HD       LYS 313  12.308   2.208   4.511
  285   1HE   LYS 313          1HE       LYS 313  15.250   2.288   5.172
  286   2HE   LYS 313          2HE       LYS 313  13.949   1.822   6.267
  287   1HZ   LYS 313          1HZ       LYS 313  15.032  -0.118   5.346
  288   2HZ   LYS 313          2HZ       LYS 313  14.715   0.407   3.769
  289   3HZ   LYS 313          3HZ       LYS 313  13.438  -0.033   4.787
  290    H    ILE 314           H        ILE 314  10.972   2.071   0.184
  291    HA   ILE 314           HA       ILE 314  12.179  -0.477   0.021
  292    HB   ILE 314           HB       ILE 314   9.522   0.379  -1.132
  293   1HG1  ILE 314          1HG1      ILE 314  10.182  -0.772   1.588
  294   2HG1  ILE 314          2HG1      ILE 314   9.747   0.904   1.275
  295   1HG2  ILE 314          1HG2      ILE 314  10.534  -2.348  -0.335
  296   2HG2  ILE 314          2HG2      ILE 314  10.325  -1.769  -1.989
  297   3HG2  ILE 314          3HG2      ILE 314   8.920  -1.977  -0.941
  298   1HD1  ILE 314          1HD1      ILE 314   7.867  -0.347   2.154
  299   2HD1  ILE 314          2HD1      ILE 314   7.986  -1.493   0.820
  300   3HD1  ILE 314          3HD1      ILE 314   7.547   0.186   0.504
  301    H    LYS 315           H        LYS 315  11.359   1.931  -2.414
  302    HA   LYS 315           HA       LYS 315  11.785   0.292  -4.681
  303   1HB   LYS 315          1HB       LYS 315  10.524   2.414  -4.746
  304   2HB   LYS 315          2HB       LYS 315  12.013   3.297  -4.440
  305   1HG   LYS 315          1HG       LYS 315  12.931   2.553  -6.550
  306   2HG   LYS 315          2HG       LYS 315  11.497   1.568  -6.851
  307   1HD   LYS 315          1HD       LYS 315  10.115   3.596  -6.863
  308   2HD   LYS 315          2HD       LYS 315  11.555   4.575  -6.580
  309   1HE   LYS 315          1HE       LYS 315  11.059   2.815  -8.979
  310   2HE   LYS 315          2HE       LYS 315  10.911   4.572  -8.942
  311   1HZ   LYS 315          1HZ       LYS 315  13.258   4.742  -8.453
  312   2HZ   LYS 315          2HZ       LYS 315  13.034   3.845  -9.869
  313   3HZ   LYS 315          3HZ       LYS 315  13.413   3.057  -8.421
  314    H    ASN 316           H        ASN 316  13.913   2.263  -2.704
  315    HA   ASN 316           HA       ASN 316  16.147   2.051  -4.498
  316   1HB   ASN 316          1HB       ASN 316  15.849   3.969  -2.951
  317   2HB   ASN 316          2HB       ASN 316  16.100   2.880  -1.589
  318   1HD2  ASN 316          1HD2      ASN 316  17.901   4.028  -0.899
  319   2HD2  ASN 316          2HD2      ASN 316  19.416   3.949  -1.727
  320    H    ARG 317           H        ARG 317  15.232   0.538  -1.419
  321    HA   ARG 317           HA       ARG 317  17.556  -1.027  -1.126
  322   1HB   ARG 317          1HB       ARG 317  14.762  -1.446  -0.057
  323   2HB   ARG 317          2HB       ARG 317  16.163  -2.380   0.445
  324   1HG   ARG 317          1HG       ARG 317  15.914   0.605   0.736
  325   2HG   ARG 317          2HG       ARG 317  15.553  -0.562   2.009
  326   1HD   ARG 317          1HD       ARG 317  17.853  -1.362   1.945
  327   2HD   ARG 317          2HD       ARG 317  18.220  -0.246   0.630
  328    HE   ARG 317           HE       ARG 317  17.229   1.228   2.793
  329   1HH1  ARG 317          1HH1      ARG 317  20.011  -0.688   1.939
  330   2HH1  ARG 317          2HH1      ARG 317  21.093   0.185   2.972
  331   1HH2  ARG 317          1HH2      ARG 317  18.646   2.385   4.157
  332   2HH2  ARG 317          2HH2      ARG 317  20.315   1.930   4.235
  333    H    PHE 318           H        PHE 318  14.516  -1.596  -2.799
  334    HA   PHE 318           HA       PHE 318  15.492  -4.241  -3.629
  335   1HB   PHE 318          1HB       PHE 318  12.709  -3.067  -3.594
  336   2HB   PHE 318          2HB       PHE 318  13.101  -4.613  -4.341
  337    HD1  PHE 318           HD1      PHE 318  13.774  -6.520  -2.967
  338    HD2  PHE 318           HD2      PHE 318  12.604  -2.822  -1.216
  339    HE1  PHE 318           HE1      PHE 318  13.493  -7.642  -0.794
  340    HE2  PHE 318           HE2      PHE 318  12.322  -3.936   0.959
  341    HZ   PHE 318           HZ       PHE 318  12.767  -6.349   1.172
  342    H    GLN 319           H        GLN 319  16.285  -1.582  -4.731
  343    HA   GLN 319           HA       GLN 319  15.112  -1.129  -7.233
  344   1HB   GLN 319          1HB       GLN 319  16.604   0.485  -6.153
  345   2HB   GLN 319          2HB       GLN 319  17.957  -0.621  -6.340
  346   1HG   GLN 319          1HG       GLN 319  18.039   1.125  -8.010
  347   2HG   GLN 319          2HG       GLN 319  17.775  -0.444  -8.767
  348   1HE2  GLN 319          1HE2      GLN 319  15.273   1.317  -7.083
  349   2HE2  GLN 319          2HE2      GLN 319  14.328   1.695  -8.479
  350    H    GLY 320           H        GLY 320  17.477  -3.465  -6.176
  351   1HA   GLY 320          1HA       GLY 320  18.398  -4.193  -8.783
  352   2HA   GLY 320          2HA       GLY 320  18.636  -5.110  -7.304
  353    H    GLN 321           H        GLN 321  15.699  -5.128  -6.803
  354    HA   GLN 321           HA       GLN 321  14.962  -7.151  -8.815
  355   1HB   GLN 321          1HB       GLN 321  14.246  -7.076  -5.879
  356   2HB   GLN 321          2HB       GLN 321  13.668  -8.270  -7.032
  357   1HG   GLN 321          1HG       GLN 321  15.950  -9.038  -7.396
  358   2HG   GLN 321          2HG       GLN 321  16.545  -7.825  -6.263
  359   1HE2  GLN 321          1HE2      GLN 321  14.239  -8.189  -4.482
  360   2HE2  GLN 321          2HE2      GLN 321  14.519  -9.676  -3.649
  361    HA   PRO 322           HA       PRO 322  11.810  -3.833  -9.244
  362   1HB   PRO 322          1HB       PRO 322  11.132  -4.523 -11.797
  363   2HB   PRO 322          2HB       PRO 322  12.475  -3.444 -11.402
  364   1HG   PRO 322          1HG       PRO 322  12.520  -6.361 -12.066
  365   2HG   PRO 322          2HG       PRO 322  13.611  -5.071 -12.606
  366   1HD   PRO 322          1HD       PRO 322  14.283  -6.784 -10.635
  367   2HD   PRO 322          2HD       PRO 322  14.814  -5.090 -10.633
  368    H    ASP 323           H        ASP 323  11.697  -7.280  -9.701
  369    HA   ASP 323           HA       ASP 323   8.933  -7.590 -10.131
  370   1HB   ASP 323          1HB       ASP 323   9.307  -9.925  -9.299
  371   2HB   ASP 323          2HB       ASP 323  10.412  -9.430 -10.578
  372    H    ILE 324           H        ILE 324  10.854  -7.370  -7.179
  373    HA   ILE 324           HA       ILE 324   8.801  -8.046  -5.363
  374    HB   ILE 324           HB       ILE 324  11.125  -6.202  -4.805
  375   1HG1  ILE 324          1HG1      ILE 324  11.944  -8.259  -5.860
  376   2HG1  ILE 324          2HG1      ILE 324  12.386  -8.210  -4.157
  377   1HG2  ILE 324          1HG2      ILE 324   9.508  -8.013  -3.019
  378   2HG2  ILE 324          2HG2      ILE 324   9.451  -6.252  -3.052
  379   3HG2  ILE 324          3HG2      ILE 324  10.915  -7.077  -2.518
  380   1HD1  ILE 324          1HD1      ILE 324  11.673 -10.431  -4.830
  381   2HD1  ILE 324          2HD1      ILE 324  10.113  -9.788  -5.345
  382   3HD1  ILE 324          3HD1      ILE 324  10.566  -9.747  -3.641
  383    H    TYR 325           H        TYR 325  10.013  -4.889  -6.468
  384    HA   TYR 325           HA       TYR 325   8.264  -3.291  -4.975
  385   1HB   TYR 325          1HB       TYR 325  10.295  -2.464  -6.132
  386   2HB   TYR 325          2HB       TYR 325   9.483  -2.685  -7.677
  387    HD1  TYR 325           HD1      TYR 325   8.722  -0.747  -8.642
  388    HD2  TYR 325           HD2      TYR 325   8.691  -1.054  -4.398
  389    HE1  TYR 325           HE1      TYR 325   7.810   1.530  -8.491
  390    HE2  TYR 325           HE2      TYR 325   7.775   1.223  -4.235
  391    HH   TYR 325           HH       TYR 325   6.506   2.887  -6.892
  392    H    LYS 326           H        LYS 326   7.999  -4.448  -8.332
  393    HA   LYS 326           HA       LYS 326   5.488  -3.299  -8.861
  394   1HB   LYS 326          1HB       LYS 326   6.785  -5.750 -10.067
  395   2HB   LYS 326          2HB       LYS 326   5.364  -4.945 -10.719
  396   1HG   LYS 326          1HG       LYS 326   6.644  -2.942 -11.142
  397   2HG   LYS 326          2HG       LYS 326   8.067  -3.658 -10.385
  398   1HD   LYS 326          1HD       LYS 326   8.496  -4.001 -12.630
  399   2HD   LYS 326          2HD       LYS 326   7.743  -5.528 -12.167
  400   1HE   LYS 326          1HE       LYS 326   6.278  -3.206 -13.416
  401   2HE   LYS 326          2HE       LYS 326   6.900  -4.589 -14.312
  402   1HZ   LYS 326          1HZ       LYS 326   5.477  -6.024 -12.934
  403   2HZ   LYS 326          2HZ       LYS 326   4.586  -4.910 -13.842
  404   3HZ   LYS 326          3HZ       LYS 326   4.827  -4.650 -12.189
  405    H    ALA 327           H        ALA 327   6.440  -6.209  -7.208
  406    HA   ALA 327           HA       ALA 327   3.955  -7.558  -7.291
  407   1HB   ALA 327          1HB       ALA 327   4.825  -8.895  -5.446
  408   2HB   ALA 327          2HB       ALA 327   6.136  -7.738  -5.212
  409   3HB   ALA 327          3HB       ALA 327   6.049  -8.684  -6.699
  410    H    PHE 328           H        PHE 328   5.436  -5.445  -4.845
  411    HA   PHE 328           HA       PHE 328   3.330  -5.467  -3.007
  412   1HB   PHE 328          1HB       PHE 328   5.565  -4.566  -2.498
  413   2HB   PHE 328          2HB       PHE 328   5.278  -3.227  -3.603
  414    HD1  PHE 328           HD1      PHE 328   5.202  -1.311  -2.336
  415    HD2  PHE 328           HD2      PHE 328   3.081  -4.751  -1.001
  416    HE1  PHE 328           HE1      PHE 328   4.236   0.001  -0.491
  417    HE2  PHE 328           HE2      PHE 328   2.114  -3.446   0.844
  418    HZ   PHE 328           HZ       PHE 328   2.689  -1.067   1.100
  419    H    LEU 329           H        LEU 329   4.029  -3.159  -5.631
  420    HA   LEU 329           HA       LEU 329   1.820  -1.498  -5.294
  421   1HB   LEU 329          1HB       LEU 329   3.184  -2.288  -7.872
  422   2HB   LEU 329          2HB       LEU 329   2.089  -0.932  -7.687
  423    HG   LEU 329           HG       LEU 329   4.772  -1.217  -6.332
  424   1HD1  LEU 329          1HD1      LEU 329   5.026  -0.804  -8.695
  425   2HD1  LEU 329          2HD1      LEU 329   5.405   0.667  -7.799
  426   3HD1  LEU 329          3HD1      LEU 329   3.854   0.511  -8.623
  427   1HD2  LEU 329          1HD2      LEU 329   3.206   0.018  -4.945
  428   2HD2  LEU 329          2HD2      LEU 329   2.777   1.046  -6.312
  429   3HD2  LEU 329          3HD2      LEU 329   4.404   1.110  -5.637
  430    H    GLU 330           H        GLU 330   2.148  -4.556  -7.009
  431    HA   GLU 330           HA       GLU 330  -0.345  -4.595  -8.289
  432   1HB   GLU 330          1HB       GLU 330   1.490  -6.155  -8.814
  433   2HB   GLU 330          2HB       GLU 330   1.276  -6.928  -7.251
  434   1HG   GLU 330          1HG       GLU 330  -0.988  -7.598  -7.902
  435   2HG   GLU 330          2HG       GLU 330  -0.746  -6.848  -9.479
  436    H    ILE 331           H        ILE 331   0.647  -5.843  -5.110
  437    HA   ILE 331           HA       ILE 331  -1.775  -6.992  -4.346
  438    HB   ILE 331           HB       ILE 331   0.235  -5.609  -2.560
  439   1HG1  ILE 331          1HG1      ILE 331   0.010  -8.542  -3.262
  440   2HG1  ILE 331          2HG1      ILE 331   1.159  -7.437  -4.006
  441   1HG2  ILE 331          1HG2      ILE 331  -0.672  -7.068  -0.794
  442   2HG2  ILE 331          2HG2      ILE 331  -1.909  -7.628  -1.920
  443   3HG2  ILE 331          3HG2      ILE 331  -1.872  -5.937  -1.421
  444   1HD1  ILE 331          1HD1      ILE 331   2.231  -8.731  -2.274
  445   2HD1  ILE 331          2HD1      ILE 331   1.039  -8.186  -1.094
  446   3HD1  ILE 331          3HD1      ILE 331   2.168  -7.032  -1.804
  447    H    LEU 332           H        LEU 332  -0.572  -3.687  -3.868
  448    HA   LEU 332           HA       LEU 332  -2.837  -2.751  -2.459
  449   1HB   LEU 332          1HB       LEU 332  -0.982  -1.081  -4.142
  450   2HB   LEU 332          2HB       LEU 332  -1.939  -0.559  -2.771
  451    HG   LEU 332           HG       LEU 332   0.516  -2.306  -2.734
  452   1HD1  LEU 332          1HD1      LEU 332   0.901   0.098  -2.907
  453   2HD1  LEU 332          2HD1      LEU 332   1.421  -0.529  -1.343
  454   3HD1  LEU 332          3HD1      LEU 332  -0.094   0.362  -1.476
  455   1HD2  LEU 332          1HD2      LEU 332  -1.303  -1.606  -0.430
  456   2HD2  LEU 332          2HD2      LEU 332   0.242  -2.449  -0.315
  457   3HD2  LEU 332          3HD2      LEU 332  -1.115  -3.206  -1.149
  458    H    HIS 333           H        HIS 333  -2.044  -2.877  -5.890
  459    HA   HIS 333           HA       HIS 333  -4.106  -1.199  -6.813
  460   1HB   HIS 333          1HB       HIS 333  -2.480  -3.379  -8.085
  461   2HB   HIS 333          2HB       HIS 333  -3.816  -2.641  -8.964
  462    HD1  HIS 333           HD1      HIS 333  -3.446   0.294  -8.247
  463    HD2  HIS 333           HD2      HIS 333  -0.300  -2.237  -9.229
  464    HE1  HIS 333           HE1      HIS 333  -1.596   1.800  -9.043
  465    HE2  HIS 333           HE2      HIS 333   0.268   0.241  -9.708
  466    H    THR 334           H        THR 334  -3.981  -4.717  -6.359
  467    HA   THR 334           HA       THR 334  -6.582  -5.254  -7.310
  468    HB   THR 334           HB       THR 334  -5.006  -6.837  -5.269
  469    HG1  THR 334           HG1      THR 334  -4.014  -7.785  -6.966
  470   1HG2  THR 334          1HG2      THR 334  -7.359  -7.491  -5.391
  471   2HG2  THR 334          2HG2      THR 334  -6.325  -8.741  -6.084
  472   3HG2  THR 334          3HG2      THR 334  -7.230  -7.659  -7.141
  473    H    TYR 335           H        TYR 335  -5.316  -4.670  -4.050
  474    HA   TYR 335           HA       TYR 335  -7.644  -5.090  -2.587
  475   1HB   TYR 335          1HB       TYR 335  -5.529  -4.826  -1.472
  476   2HB   TYR 335          2HB       TYR 335  -5.335  -3.199  -2.109
  477    HD1  TYR 335           HD1      TYR 335  -6.425  -1.324  -1.074
  478    HD2  TYR 335           HD2      TYR 335  -7.123  -5.272   0.348
  479    HE1  TYR 335           HE1      TYR 335  -7.463  -0.402   0.955
  480    HE2  TYR 335           HE2      TYR 335  -8.172  -4.361   2.378
  481    HH   TYR 335           HH       TYR 335  -8.154  -2.297   3.691
  482    H    GLN 336           H        GLN 336  -6.389  -2.018  -3.883
  483    HA   GLN 336           HA       GLN 336  -8.543  -0.418  -3.082
  484   1HB   GLN 336          1HB       GLN 336  -6.395   0.514  -3.786
  485   2HB   GLN 336          2HB       GLN 336  -6.667  -0.061  -5.426
  486   1HG   GLN 336          1HG       GLN 336  -8.579   1.428  -5.647
  487   2HG   GLN 336          2HG       GLN 336  -8.346   1.986  -3.991
  488   1HE2  GLN 336          1HE2      GLN 336  -6.604   3.327  -3.512
  489   2HE2  GLN 336          2HE2      GLN 336  -5.730   4.169  -4.741
  490    H    LYS 337           H        LYS 337  -8.027  -2.316  -6.012
  491    HA   LYS 337           HA       LYS 337 -10.145  -1.323  -7.539
  492   1HB   LYS 337          1HB       LYS 337  -8.398  -2.767  -8.453
  493   2HB   LYS 337          2HB       LYS 337  -8.997  -4.119  -7.502
  494   1HG   LYS 337          1HG       LYS 337 -11.098  -4.064  -8.739
  495   2HG   LYS 337          2HG       LYS 337 -10.510  -2.694  -9.683
  496   1HD   LYS 337          1HD       LYS 337  -8.649  -4.107 -10.500
  497   2HD   LYS 337          2HD       LYS 337  -9.336  -5.475  -9.621
  498   1HE   LYS 337          1HE       LYS 337  -9.965  -5.534 -11.979
  499   2HE   LYS 337          2HE       LYS 337 -11.377  -5.313 -10.947
  500   1HZ   LYS 337          1HZ       LYS 337 -11.437  -3.855 -12.877
  501   2HZ   LYS 337          2HZ       LYS 337  -9.968  -3.153 -12.421
  502   3HZ   LYS 337          3HZ       LYS 337 -11.337  -2.954 -11.447
  503    H    GLU 338           H        GLU 338 -10.064  -4.064  -5.279
  504    HA   GLU 338           HA       GLU 338 -12.755  -4.825  -5.627
  505   1HB   GLU 338          1HB       GLU 338 -10.843  -5.260  -3.331
  506   2HB   GLU 338          2HB       GLU 338 -12.441  -5.989  -3.416
  507   1HG   GLU 338          1HG       GLU 338 -10.215  -6.408  -5.398
  508   2HG   GLU 338          2HG       GLU 338 -10.695  -7.532  -4.128
  509    H    GLN 339           H        GLN 339 -11.197  -2.719  -3.225
  510    HA   GLN 339           HA       GLN 339 -13.465  -2.212  -1.662
  511   1HB   GLN 339          1HB       GLN 339 -11.017  -0.524  -2.180
  512   2HB   GLN 339          2HB       GLN 339 -12.232  -0.130  -0.972
  513   1HG   GLN 339          1HG       GLN 339 -10.565  -2.637  -1.032
  514   2HG   GLN 339          2HG       GLN 339 -10.292  -1.240   0.007
  515   1HE2  GLN 339          1HE2      GLN 339 -11.693  -0.845   1.719
  516   2HE2  GLN 339          2HE2      GLN 339 -12.775  -2.050   2.318
  517    H    ARG 340           H        ARG 340 -12.146  -0.399  -4.423
  518    HA   ARG 340           HA       ARG 340 -13.998   1.688  -4.420
  519   1HB   ARG 340          1HB       ARG 340 -12.440   0.434  -6.677
  520   2HB   ARG 340          2HB       ARG 340 -13.432   1.870  -6.881
  521   1HG   ARG 340          1HG       ARG 340 -12.071   3.036  -5.207
  522   2HG   ARG 340          2HG       ARG 340 -11.060   1.598  -5.046
  523   1HD   ARG 340          1HD       ARG 340 -10.013   3.220  -6.524
  524   2HD   ARG 340          2HD       ARG 340 -10.455   1.763  -7.413
  525    HE   ARG 340           HE       ARG 340 -12.580   3.490  -7.698
  526   1HH1  ARG 340          1HH1      ARG 340  -9.180   3.516  -8.467
  527   2HH1  ARG 340          2HH1      ARG 340  -9.369   4.553  -9.841
  528   1HH2  ARG 340          1HH2      ARG 340 -12.835   4.855  -9.505
  529   2HH2  ARG 340          2HH2      ARG 340 -11.445   5.314 -10.429
  530    H    ASN 341           H        ASN 341 -14.039  -1.300  -6.372
  531    HA   ASN 341           HA       ASN 341 -16.518  -0.856  -7.587
  532   1HB   ASN 341          1HB       ASN 341 -15.199  -3.493  -6.903
  533   2HB   ASN 341          2HB       ASN 341 -16.534  -3.286  -8.033
  534   1HD2  ASN 341          1HD2      ASN 341 -13.870  -4.347  -8.494
  535   2HD2  ASN 341          2HD2      ASN 341 -13.165  -3.365  -9.730
  536    H    ALA 342           H        ALA 342 -15.706  -2.120  -4.434
  537    HA   ALA 342           HA       ALA 342 -18.222  -3.275  -3.830
  538   1HB   ALA 342          1HB       ALA 342 -16.122  -2.213  -1.945
  539   2HB   ALA 342          2HB       ALA 342 -16.182  -3.847  -2.607
  540   3HB   ALA 342          3HB       ALA 342 -17.452  -3.289  -1.518
  541    H    LYS 343           H        LYS 343 -16.833  -0.073  -3.202
  542    HA   LYS 343           HA       LYS 343 -19.118   0.868  -1.766
  543   1HB   LYS 343          1HB       LYS 343 -16.835   2.382  -3.043
  544   2HB   LYS 343          2HB       LYS 343 -18.035   3.088  -1.969
  545   1HG   LYS 343          1HG       LYS 343 -17.291   1.611  -0.167
  546   2HG   LYS 343          2HG       LYS 343 -16.078   0.917  -1.245
  547   1HD   LYS 343          1HD       LYS 343 -16.229   3.842  -0.525
  548   2HD   LYS 343          2HD       LYS 343 -15.201   2.672   0.304
  549   1HE   LYS 343          1HE       LYS 343 -14.042   2.196  -1.792
  550   2HE   LYS 343          2HE       LYS 343 -15.084   3.341  -2.636
  551   1HZ   LYS 343          1HZ       LYS 343 -13.201   4.018  -0.440
  552   2HZ   LYS 343          2HZ       LYS 343 -14.191   5.114  -1.263
  553   3HZ   LYS 343          3HZ       LYS 343 -12.945   4.319  -2.086
  554    H    GLU 344           H        GLU 344 -18.129   0.838  -5.106
  555    HA   GLU 344           HA       GLU 344 -20.102   2.755  -5.955
  556   1HB   GLU 344          1HB       GLU 344 -18.329   0.869  -7.512
  557   2HB   GLU 344          2HB       GLU 344 -19.391   2.060  -8.249
  558   1HG   GLU 344          1HG       GLU 344 -17.123   2.678  -6.369
  559   2HG   GLU 344          2HG       GLU 344 -17.062   2.814  -8.126
  560    H    ALA 345           H        ALA 345 -19.948  -0.664  -5.478
  561    HA   ALA 345           HA       ALA 345 -22.011  -1.475  -7.218
  562   1HB   ALA 345          1HB       ALA 345 -21.137  -2.732  -4.620
  563   2HB   ALA 345          2HB       ALA 345 -20.433  -3.045  -6.206
  564   3HB   ALA 345          3HB       ALA 345 -22.102  -3.507  -5.876
  565    H    GLY 346           H        GLY 346 -22.047   0.078  -4.119
  566   1HA   GLY 346          1HA       GLY 346 -23.784   0.972  -2.904
  567   2HA   GLY 346          2HA       GLY 346 -24.814   0.676  -4.297
  568    H    GLY 347           H        GLY 347 -23.624  -0.593  -1.275
  569   1HA   GLY 347          1HA       GLY 347 -25.302  -1.800   0.066
  570   2HA   GLY 347          2HA       GLY 347 -25.728  -2.665  -1.405
  571    H    ASN 348           H        ASN 348 -25.259  -4.725  -0.847
  572    HA   ASN 348           HA       ASN 348 -22.738  -5.349   0.457
  573   1HB   ASN 348          1HB       ASN 348 -24.827  -6.498   1.142
  574   2HB   ASN 348          2HB       ASN 348 -24.944  -7.203  -0.469
  575   1HD2  ASN 348          1HD2      ASN 348 -23.514  -8.816  -1.077
  576   2HD2  ASN 348          2HD2      ASN 348 -22.558  -9.681   0.073
  577    H    TYR 349           H        TYR 349 -21.031  -6.386  -0.459
  578    HA   TYR 349           HA       TYR 349 -21.223  -7.405  -3.176
  579   1HB   TYR 349          1HB       TYR 349 -20.681  -5.018  -3.474
  580   2HB   TYR 349          2HB       TYR 349 -19.276  -5.208  -2.431
  581    HD1  TYR 349           HD1      TYR 349 -17.230  -6.073  -3.279
  582    HD2  TYR 349           HD2      TYR 349 -20.732  -6.165  -5.693
  583    HE1  TYR 349           HE1      TYR 349 -15.862  -6.677  -5.231
  584    HE2  TYR 349           HE2      TYR 349 -19.375  -6.772  -7.651
  585    HH   TYR 349           HH       TYR 349 -16.156  -7.795  -7.413
  586    H    THR 350           H        THR 350 -19.744  -7.205  -0.104
  587    HA   THR 350           HA       THR 350 -17.925  -8.219   0.863
  588    HB   THR 350           HB       THR 350 -19.550  -9.899   1.230
  589    HG1  THR 350           HG1      THR 350 -17.297 -11.206   0.075
  590   1HG2  THR 350          1HG2      THR 350 -20.478 -10.066  -1.025
  591   2HG2  THR 350          2HG2      THR 350 -20.080 -11.663  -0.392
  592   3HG2  THR 350          3HG2      THR 350 -19.021 -10.894  -1.573
  593    HA   PRO 351           HA       PRO 351 -15.120  -8.047  -2.833
  594   1HB   PRO 351          1HB       PRO 351 -13.344  -7.276  -0.566
  595   2HB   PRO 351          2HB       PRO 351 -13.488  -6.563  -2.176
  596   1HG   PRO 351          1HG       PRO 351 -14.535  -5.336  -0.066
  597   2HG   PRO 351          2HG       PRO 351 -15.397  -5.362  -1.617
  598   1HD   PRO 351          1HD       PRO 351 -15.903  -6.952   0.861
  599   2HD   PRO 351          2HD       PRO 351 -17.061  -6.258  -0.292
  600    H    ALA 352           H        ALA 352 -13.977  -9.747  -3.512
  601    HA   ALA 352           HA       ALA 352 -13.673 -12.080  -1.993
  602   1HB   ALA 352          1HB       ALA 352 -12.304 -12.898  -3.854
  603   2HB   ALA 352          2HB       ALA 352 -12.221 -11.261  -4.507
  604   3HB   ALA 352          3HB       ALA 352 -13.770 -12.101  -4.424
  605    H    LEU 353           H        LEU 353 -11.701  -9.267  -2.248
  606    HA   LEU 353           HA       LEU 353  -9.506 -10.624  -0.833
  607   1HB   LEU 353          1HB       LEU 353  -9.031  -9.491  -3.041
  608   2HB   LEU 353          2HB       LEU 353  -9.386  -7.968  -2.254
  609    HG   LEU 353           HG       LEU 353  -7.294  -9.748  -1.077
  610   1HD1  LEU 353          1HD1      LEU 353  -6.871  -7.898  -3.421
  611   2HD1  LEU 353          2HD1      LEU 353  -6.744  -9.657  -3.452
  612   3HD1  LEU 353          3HD1      LEU 353  -5.603  -8.707  -2.500
  613   1HD2  LEU 353          1HD2      LEU 353  -7.987  -7.755   0.141
  614   2HD2  LEU 353          2HD2      LEU 353  -7.638  -6.757  -1.270
  615   3HD2  LEU 353          3HD2      LEU 353  -6.327  -7.589  -0.434
  616    H    THR 354           H        THR 354  -9.172 -10.140   1.239
  617    HA   THR 354           HA       THR 354 -10.499  -7.751   2.344
  618    HB   THR 354           HB       THR 354 -10.587  -8.914   4.497
  619    HG1  THR 354           HG1      THR 354  -8.980 -10.715   3.130
  620   1HG2  THR 354          1HG2      THR 354 -12.465  -9.169   2.924
  621   2HG2  THR 354          2HG2      THR 354 -12.256 -10.599   3.935
  622   3HG2  THR 354          3HG2      THR 354 -11.702 -10.614   2.261
  623    H    GLU 355           H        GLU 355  -9.372  -7.316   4.661
  624    HA   GLU 355           HA       GLU 355  -6.849  -6.211   4.058
  625   1HB   GLU 355          1HB       GLU 355  -8.167  -6.702   6.734
  626   2HB   GLU 355          2HB       GLU 355  -6.729  -5.720   6.494
  627   1HG   GLU 355          1HG       GLU 355  -7.997  -4.186   5.089
  628   2HG   GLU 355          2HG       GLU 355  -9.440  -5.179   5.300
  629    H    GLN 356           H        GLN 356  -7.807  -9.122   5.820
  630    HA   GLN 356           HA       GLN 356  -5.298  -9.873   6.789
  631   1HB   GLN 356          1HB       GLN 356  -7.595 -11.638   5.917
  632   2HB   GLN 356          2HB       GLN 356  -6.231 -12.162   6.894
  633   1HG   GLN 356          1HG       GLN 356  -6.888 -10.586   8.647
  634   2HG   GLN 356          2HG       GLN 356  -8.267 -10.086   7.670
  635   1HE2  GLN 356          1HE2      GLN 356 -10.010 -11.481   7.421
  636   2HE2  GLN 356          2HE2      GLN 356 -10.246 -12.852   8.446
  637    H    GLU 357           H        GLU 357  -6.828 -10.415   3.666
  638    HA   GLU 357           HA       GLU 357  -5.023 -12.255   2.591
  639   1HB   GLU 357          1HB       GLU 357  -7.240 -11.510   1.613
  640   2HB   GLU 357          2HB       GLU 357  -6.411 -10.071   1.035
  641   1HG   GLU 357          1HG       GLU 357  -6.549 -11.646  -0.751
  642   2HG   GLU 357          2HG       GLU 357  -4.867 -11.528  -0.235
  643    H    VAL 358           H        VAL 358  -4.993  -8.709   2.557
  644    HA   VAL 358           HA       VAL 358  -2.669  -8.397   1.003
  645    HB   VAL 358           HB       VAL 358  -3.902  -6.580   3.077
  646   1HG1  VAL 358          1HG1      VAL 358  -2.521  -4.788   2.046
  647   2HG1  VAL 358          2HG1      VAL 358  -1.635  -6.032   1.164
  648   3HG1  VAL 358          3HG1      VAL 358  -1.575  -5.988   2.926
  649   1HG2  VAL 358          1HG2      VAL 358  -4.704  -5.341   1.139
  650   2HG2  VAL 358          2HG2      VAL 358  -5.267  -7.012   1.096
  651   3HG2  VAL 358          3HG2      VAL 358  -3.928  -6.504   0.065
  652    H    TYR 359           H        TYR 359  -3.065  -8.177   4.544
  653    HA   TYR 359           HA       TYR 359  -0.454  -7.835   5.291
  654   1HB   TYR 359          1HB       TYR 359  -2.360  -7.839   6.859
  655   2HB   TYR 359          2HB       TYR 359  -2.487  -9.586   6.691
  656    HD1  TYR 359           HD1      TYR 359  -1.242 -11.004   8.082
  657    HD2  TYR 359           HD2      TYR 359  -0.178  -6.894   7.803
  658    HE1  TYR 359           HE1      TYR 359   0.357 -11.298   9.926
  659    HE2  TYR 359           HE2      TYR 359   1.425  -7.177   9.646
  660    HH   TYR 359           HH       TYR 359   2.414 -10.201  10.773
  661    H    ALA 360           H        ALA 360  -2.056 -10.845   4.389
  662    HA   ALA 360           HA       ALA 360   0.060 -12.582   5.089
  663   1HB   ALA 360          1HB       ALA 360  -2.102 -12.984   3.026
  664   2HB   ALA 360          2HB       ALA 360  -2.242 -13.343   4.746
  665   3HB   ALA 360          3HB       ALA 360  -1.101 -14.244   3.748
  666    H    GLN 361           H        GLN 361  -0.958 -11.445   1.853
  667    HA   GLN 361           HA       GLN 361   1.151 -12.521   0.409
  668   1HB   GLN 361          1HB       GLN 361  -0.621 -10.141  -0.045
  669   2HB   GLN 361          2HB       GLN 361   0.663 -10.529  -1.180
  670   1HG   GLN 361          1HG       GLN 361  -1.863 -11.452  -1.355
  671   2HG   GLN 361          2HG       GLN 361  -0.459 -12.256  -2.055
  672   1HE2  GLN 361          1HE2      GLN 361   0.323 -14.125  -1.110
  673   2HE2  GLN 361          2HE2      GLN 361  -0.569 -15.015   0.072
  674    H    VAL 362           H        VAL 362   0.904  -9.222   1.753
  675    HA   VAL 362           HA       VAL 362   3.407  -8.321   0.897
  676    HB   VAL 362           HB       VAL 362   2.071  -7.467   3.468
  677   1HG1  VAL 362          1HG1      VAL 362   3.200  -5.346   3.045
  678   2HG1  VAL 362          2HG1      VAL 362   3.908  -6.009   1.570
  679   3HG1  VAL 362          3HG1      VAL 362   4.362  -6.670   3.143
  680   1HG2  VAL 362          1HG2      VAL 362   0.878  -5.792   2.194
  681   2HG2  VAL 362          2HG2      VAL 362   0.471  -7.393   1.583
  682   3HG2  VAL 362          3HG2      VAL 362   1.601  -6.373   0.695
  683    H    ALA 363           H        ALA 363   2.457 -10.031   3.849
  684    HA   ALA 363           HA       ALA 363   4.966  -9.899   5.136
  685   1HB   ALA 363          1HB       ALA 363   4.132 -11.702   6.556
  686   2HB   ALA 363          2HB       ALA 363   2.799 -11.977   5.436
  687   3HB   ALA 363          3HB       ALA 363   2.904 -10.458   6.324
  688    H    ARG 364           H        ARG 364   3.649 -12.027   2.701
  689    HA   ARG 364           HA       ARG 364   5.607 -14.070   2.923
  690   1HB   ARG 364          1HB       ARG 364   3.514 -13.325   0.940
  691   2HB   ARG 364          2HB       ARG 364   4.805 -14.392   0.401
  692   1HG   ARG 364          1HG       ARG 364   3.091 -14.916   2.818
  693   2HG   ARG 364          2HG       ARG 364   2.762 -15.560   1.206
  694   1HD   ARG 364          1HD       ARG 364   4.954 -16.667   1.218
  695   2HD   ARG 364          2HD       ARG 364   5.250 -16.049   2.843
  696    HE   ARG 364           HE       ARG 364   2.829 -17.496   2.793
  697   1HH1  ARG 364          1HH1      ARG 364   6.279 -17.967   2.661
  698   2HH1  ARG 364          2HH1      ARG 364   6.218 -19.555   3.351
  699   1HH2  ARG 364          1HH2      ARG 364   2.740 -19.585   3.700
  700   2HH2  ARG 364          2HH2      ARG 364   4.207 -20.473   3.943
  701    H    LEU 365           H        LEU 365   5.266 -11.278   0.750
  702    HA   LEU 365           HA       LEU 365   7.576 -11.750  -0.765
  703   1HB   LEU 365          1HB       LEU 365   6.225  -9.135  -0.090
  704   2HB   LEU 365          2HB       LEU 365   7.459  -9.331  -1.321
  705    HG   LEU 365           HG       LEU 365   4.741 -10.648  -1.350
  706   1HD1  LEU 365          1HD1      LEU 365   4.262  -9.122  -3.196
  707   2HD1  LEU 365          2HD1      LEU 365   5.833  -8.351  -2.971
  708   3HD1  LEU 365          3HD1      LEU 365   4.607  -8.242  -1.706
  709   1HD2  LEU 365          1HD2      LEU 365   6.971 -10.636  -3.381
  710   2HD2  LEU 365          2HD2      LEU 365   5.346 -11.266  -3.657
  711   3HD2  LEU 365          3HD2      LEU 365   6.395 -12.024  -2.458
  712    H    PHE 366           H        PHE 366   7.081  -9.897   2.210
  713    HA   PHE 366           HA       PHE 366   9.976  -9.470   2.403
  714   1HB   PHE 366          1HB       PHE 366   7.772  -8.256   4.082
  715   2HB   PHE 366          2HB       PHE 366   9.473  -7.805   4.103
  716    HD1  PHE 366           HD1      PHE 366  10.361  -7.276   1.574
  717    HD2  PHE 366           HD2      PHE 366   6.391  -6.783   3.027
  718    HE1  PHE 366           HE1      PHE 366   9.935  -5.594  -0.171
  719    HE2  PHE 366           HE2      PHE 366   5.957  -5.101   1.284
  720    HZ   PHE 366           HZ       PHE 366   7.731  -4.504  -0.318
  721    H    LYS 367           H        LYS 367  10.599 -11.535   3.058
  722    HA   LYS 367           HA       LYS 367   9.483 -12.560   5.561
  723   1HB   LYS 367          1HB       LYS 367   9.768 -14.049   3.549
  724   2HB   LYS 367          2HB       LYS 367  11.507 -13.878   3.746
  725   1HG   LYS 367          1HG       LYS 367  11.304 -14.845   6.012
  726   2HG   LYS 367          2HG       LYS 367   9.585 -15.101   5.713
  727   1HD   LYS 367          1HD       LYS 367  11.773 -16.247   3.985
  728   2HD   LYS 367          2HD       LYS 367  11.045 -17.110   5.340
  729   1HE   LYS 367          1HE       LYS 367   9.859 -17.888   3.493
  730   2HE   LYS 367          2HE       LYS 367   8.806 -16.648   4.171
  731   1HZ   LYS 367          1HZ       LYS 367  10.689 -16.163   1.928
  732   2HZ   LYS 367          2HZ       LYS 367   9.484 -15.121   2.494
  733   3HZ   LYS 367          3HZ       LYS 367   9.059 -16.561   1.717
  734    H    ASN 368           H        ASN 368  12.153 -10.829   4.365
  735    HA   ASN 368           HA       ASN 368  13.698 -11.386   6.810
  736   1HB   ASN 368          1HB       ASN 368  14.657 -10.362   4.130
  737   2HB   ASN 368          2HB       ASN 368  15.671 -10.561   5.554
  738   1HD2  ASN 368          1HD2      ASN 368  14.308 -13.012   6.376
  739   2HD2  ASN 368          2HD2      ASN 368  14.865 -14.247   5.303
  740    H    GLN 369           H        GLN 369  11.786  -9.097   5.267
  741    HA   GLN 369           HA       GLN 369  12.962  -6.926   6.877
  742   1HB   GLN 369          1HB       GLN 369  11.394  -6.667   4.304
  743   2HB   GLN 369          2HB       GLN 369  12.071  -5.340   5.237
  744   1HG   GLN 369          1HG       GLN 369  13.644  -7.513   3.872
  745   2HG   GLN 369          2HG       GLN 369  13.431  -5.864   3.284
  746   1HE2  GLN 369          1HE2      GLN 369  13.618  -4.712   5.958
  747   2HE2  GLN 369          2HE2      GLN 369  15.289  -4.779   6.392
  748    H    GLU 370           H        GLU 370  11.615  -7.770   8.629
  749    HA   GLU 370           HA       GLU 370   8.757  -7.638   8.398
  750   1HB   GLU 370          1HB       GLU 370  10.582  -7.933  10.791
  751   2HB   GLU 370          2HB       GLU 370   8.827  -7.966  10.893
  752   1HG   GLU 370          1HG       GLU 370   9.675 -10.209  10.900
  753   2HG   GLU 370          2HG       GLU 370   8.802  -9.920   9.395
  754    H    ASP 371           H        ASP 371  11.290  -5.442   9.254
  755    HA   ASP 371           HA       ASP 371   9.899  -3.603  10.828
  756   1HB   ASP 371          1HB       ASP 371  12.116  -3.081   8.833
  757   2HB   ASP 371          2HB       ASP 371  11.594  -1.961  10.089
  758    H    LEU 372           H        LEU 372  10.246  -3.798   7.306
  759    HA   LEU 372           HA       LEU 372   8.814  -1.472   6.668
  760   1HB   LEU 372          1HB       LEU 372   9.557  -3.964   5.217
  761   2HB   LEU 372          2HB       LEU 372   8.332  -2.937   4.502
  762    HG   LEU 372           HG       LEU 372   9.876  -1.088   4.359
  763   1HD1  LEU 372          1HD1      LEU 372  11.851  -2.891   5.748
  764   2HD1  LEU 372          2HD1      LEU 372  11.127  -1.423   6.404
  765   3HD1  LEU 372          3HD1      LEU 372  12.226  -1.325   5.028
  766   1HD2  LEU 372          1HD2      LEU 372  11.556  -2.050   2.831
  767   2HD2  LEU 372          2HD2      LEU 372   9.928  -2.657   2.523
  768   3HD2  LEU 372          3HD2      LEU 372  11.097  -3.663   3.379
  769    H    LEU 373           H        LEU 373   7.742  -4.845   6.978
  770    HA   LEU 373           HA       LEU 373   5.078  -4.499   6.251
  771   1HB   LEU 373          1HB       LEU 373   6.309  -6.673   6.696
  772   2HB   LEU 373          2HB       LEU 373   6.042  -6.379   8.402
  773    HG   LEU 373           HG       LEU 373   3.633  -6.495   8.088
  774   1HD1  LEU 373          1HD1      LEU 373   2.678  -7.140   5.926
  775   2HD1  LEU 373          2HD1      LEU 373   4.272  -6.994   5.185
  776   3HD1  LEU 373          3HD1      LEU 373   3.474  -5.569   5.849
  777   1HD2  LEU 373          1HD2      LEU 373   5.115  -8.804   6.841
  778   2HD2  LEU 373          2HD2      LEU 373   3.457  -8.865   7.438
  779   3HD2  LEU 373          3HD2      LEU 373   4.787  -8.564   8.558
  780    H    SER 374           H        SER 374   6.613  -4.196   9.438
  781    HA   SER 374           HA       SER 374   4.296  -3.685  10.924
  782   1HB   SER 374          1HB       SER 374   6.450  -4.211  11.978
  783   2HB   SER 374          2HB       SER 374   7.114  -2.680  11.406
  784    HG   SER 374           HG       SER 374   5.056  -1.895  12.640
  785    H    GLU 375           H        GLU 375   6.519  -1.490   9.249
  786    HA   GLU 375           HA       GLU 375   5.315   0.922  10.020
  787   1HB   GLU 375          1HB       GLU 375   7.540   0.731   8.924
  788   2HB   GLU 375          2HB       GLU 375   6.735   0.320   7.417
  789   1HG   GLU 375          1HG       GLU 375   7.369   2.632   7.379
  790   2HG   GLU 375          2HG       GLU 375   5.612   2.512   7.452
  791    H    PHE 376           H        PHE 376   4.535  -1.403   7.539
  792    HA   PHE 376           HA       PHE 376   2.613   0.255   6.197
  793   1HB   PHE 376          1HB       PHE 376   3.731  -1.494   4.951
  794   2HB   PHE 376          2HB       PHE 376   3.160  -2.719   6.077
  795    HD1  PHE 376           HD1      PHE 376   1.001  -3.672   5.867
  796    HD2  PHE 376           HD2      PHE 376   2.138  -0.379   3.423
  797    HE1  PHE 376           HE1      PHE 376  -0.983  -4.039   4.456
  798    HE2  PHE 376           HE2      PHE 376   0.157  -0.739   2.009
  799    HZ   PHE 376           HZ       PHE 376  -1.406  -2.572   2.525
  800    H    GLY 377           H        GLY 377   2.600  -1.951   8.876
  801   1HA   GLY 377          1HA       GLY 377  -0.236  -2.399   8.886
  802   2HA   GLY 377          2HA       GLY 377   0.893  -2.830  10.160
  803    H    GLN 378           H        GLN 378   1.930  -0.154  10.549
  804    HA   GLN 378           HA       GLN 378   0.142   0.757  12.495
  805   1HB   GLN 378          1HB       GLN 378   1.587   2.636  12.776
  806   2HB   GLN 378          2HB       GLN 378   2.600   1.254  12.387
  807   1HG   GLN 378          1HG       GLN 378   3.557   2.686  10.958
  808   2HG   GLN 378          2HG       GLN 378   2.198   2.253   9.923
  809   1HE2  GLN 378          1HE2      GLN 378   3.772   4.703  10.003
  810   2HE2  GLN 378          2HE2      GLN 378   2.652   5.986  10.292
  811    H    PHE 379           H        PHE 379   0.415   1.557   9.101
  812    HA   PHE 379           HA       PHE 379  -1.168   3.911   9.162
  813   1HB   PHE 379          1HB       PHE 379  -0.354   2.014   6.980
  814   2HB   PHE 379          2HB       PHE 379  -1.467   3.341   6.667
  815    HD1  PHE 379           HD1      PHE 379   1.933   2.368   6.891
  816    HD2  PHE 379           HD2      PHE 379  -0.679   5.700   7.314
  817    HE1  PHE 379           HE1      PHE 379   3.841   3.896   6.602
  818    HE2  PHE 379           HE2      PHE 379   1.223   7.234   7.025
  819    HZ   PHE 379           HZ       PHE 379   3.487   6.332   6.667
  820    H    LEU 380           H        LEU 380  -1.929   0.506   8.971
  821    HA   LEU 380           HA       LEU 380  -4.557   0.673   8.022
  822   1HB   LEU 380          1HB       LEU 380  -3.145  -1.316   9.774
  823   2HB   LEU 380          2HB       LEU 380  -4.837  -1.507   9.358
  824    HG   LEU 380           HG       LEU 380  -2.667  -1.259   7.284
  825   1HD1  LEU 380          1HD1      LEU 380  -2.218  -3.216   8.669
  826   2HD1  LEU 380          2HD1      LEU 380  -2.777  -3.686   7.063
  827   3HD1  LEU 380          3HD1      LEU 380  -3.879  -3.765   8.439
  828   1HD2  LEU 380          1HD2      LEU 380  -4.362  -2.266   5.827
  829   2HD2  LEU 380          2HD2      LEU 380  -4.913  -0.735   6.510
  830   3HD2  LEU 380          3HD2      LEU 380  -5.510  -2.259   7.167
  831    HA   PRO 381           HA       PRO 381  -6.328   2.631  11.669
  832   1HB   PRO 381          1HB       PRO 381  -8.741   3.177  10.644
  833   2HB   PRO 381          2HB       PRO 381  -7.303   4.072  10.136
  834   1HG   PRO 381          1HG       PRO 381  -8.710   1.811   8.765
  835   2HG   PRO 381          2HG       PRO 381  -8.067   3.310   8.071
  836   1HD   PRO 381          1HD       PRO 381  -6.755   0.906   7.983
  837   2HD   PRO 381          2HD       PRO 381  -5.936   2.479   7.943
  838    H    ASP 382           H        ASP 382  -6.511  -0.390  10.913
  839    HA   ASP 382           HA       ASP 382  -7.508  -2.251  11.749
  840   1HB   ASP 382          1HB       ASP 382  -7.129  -1.076  13.910
  841   2HB   ASP 382          2HB       ASP 382  -8.730  -0.359  13.772
  842    H    ALA 383           H        ALA 383  -9.047  -0.018  10.081
  843    HA   ALA 383           HA       ALA 383 -11.050   0.173   9.022
  844   1HB   ALA 383          1HB       ALA 383 -12.205  -1.893   8.462
  845   2HB   ALA 383          2HB       ALA 383 -11.290  -2.756   9.698
  846   3HB   ALA 383          3HB       ALA 383 -10.460  -2.091   8.291
  Start of MODEL   15
    1   1H    ARG   6          1H        ARG   6 -10.381   6.859   3.813
    2   2H    ARG   6          2H        ARG   6  -8.759   6.568   3.436
    3   3H    ARG   6          3H        ARG   6  -9.173   7.869   4.433
    4    HA   ARG   6           HA       ARG   6  -9.983   6.366   6.124
    5   1HB   ARG   6          1HB       ARG   6  -9.022   4.258   4.185
    6   2HB   ARG   6          2HB       ARG   6  -9.438   3.935   5.861
    7   1HG   ARG   6          1HG       ARG   6 -11.728   4.689   5.427
    8   2HG   ARG   6          2HG       ARG   6 -11.302   4.979   3.739
    9   1HD   ARG   6          1HD       ARG   6 -12.438   2.819   4.058
   10   2HD   ARG   6          2HD       ARG   6 -10.802   2.632   3.426
   11    HE   ARG   6           HE       ARG   6 -10.739   2.449   6.232
   12   1HH1  ARG   6          1HH1      ARG   6 -11.843   0.668   3.446
   13   2HH1  ARG   6          2HH1      ARG   6 -11.672  -0.879   4.207
   14   1HH2  ARG   6          1HH2      ARG   6 -10.512   0.417   7.240
   15   2HH2  ARG   6          2HH2      ARG   6 -10.917  -1.020   6.364
   16    H    MET   7           H        MET   7  -7.366   7.488   4.646
   17    HA   MET   7           HA       MET   7  -5.189   7.814   5.192
   18   1HB   MET   7          1HB       MET   7  -6.388   8.437   7.355
   19   2HB   MET   7          2HB       MET   7  -5.906   6.857   7.958
   20   1HG   MET   7          1HG       MET   7  -3.557   7.446   7.581
   21   2HG   MET   7          2HG       MET   7  -4.062   9.041   7.026
   22   1HE   MET   7          1HE       MET   7  -3.898   6.567  10.061
   23   2HE   MET   7          2HE       MET   7  -5.621   6.935   9.978
   24   3HE   MET   7          3HE       MET   7  -4.661   7.511  11.341
   25    H    ASN   8           H        ASN   8  -5.497   5.488   3.896
   26    HA   ASN   8           HA       ASN   8  -3.229   4.002   4.685
   27   1HB   ASN   8          1HB       ASN   8  -4.174   1.925   5.384
   28   2HB   ASN   8          2HB       ASN   8  -4.918   3.177   6.371
   29   1HD2  ASN   8          1HD2      ASN   8  -6.668   4.090   4.234
   30   2HD2  ASN   8          2HD2      ASN   8  -7.898   2.889   4.073
   31    H    ILE   9           H        ILE   9  -2.610   2.458   3.134
   32    HA   ILE   9           HA       ILE   9  -2.433   1.531   1.070
   33    HB   ILE   9           HB       ILE   9  -5.431   1.851   0.905
   34   1HG1  ILE   9          1HG1      ILE   9  -4.756   0.583   2.906
   35   2HG1  ILE   9          2HG1      ILE   9  -5.552  -0.454   1.728
   36   1HG2  ILE   9          1HG2      ILE   9  -3.529   0.060  -0.598
   37   2HG2  ILE   9          2HG2      ILE   9  -4.424   1.429  -1.255
   38   3HG2  ILE   9          3HG2      ILE   9  -5.288  -0.005  -0.703
   39   1HD1  ILE   9          1HD1      ILE   9  -3.652  -1.573   2.718
   40   2HD1  ILE   9          2HD1      ILE   9  -2.587  -0.264   2.208
   41   3HD1  ILE   9          3HD1      ILE   9  -3.368  -1.287   1.002
   42    H    GLN  10           H        GLN  10  -5.211   3.646   0.397
   43    HA   GLN  10           HA       GLN  10  -4.429   4.568  -2.053
   44   1HB   GLN  10          1HB       GLN  10  -6.636   4.993  -1.089
   45   2HB   GLN  10          2HB       GLN  10  -5.930   6.113   0.067
   46   1HG   GLN  10          1HG       GLN  10  -5.218   7.550  -1.808
   47   2HG   GLN  10          2HG       GLN  10  -6.025   6.446  -2.923
   48   1HE2  GLN  10          1HE2      GLN  10  -7.422   8.050  -3.644
   49   2HE2  GLN  10          2HE2      GLN  10  -8.729   8.635  -2.679
   50    H    MET  11           H        MET  11  -3.301   5.653   1.078
   51    HA   MET  11           HA       MET  11  -2.134   8.084   0.305
   52   1HB   MET  11          1HB       MET  11  -2.473   7.404   2.654
   53   2HB   MET  11          2HB       MET  11  -1.224   6.181   2.472
   54   1HG   MET  11          1HG       MET  11   0.430   7.917   2.057
   55   2HG   MET  11          2HG       MET  11  -0.818   9.152   2.208
   56   1HE   MET  11          1HE       MET  11  -2.570   7.976   4.642
   57   2HE   MET  11          2HE       MET  11  -2.119   9.671   4.443
   58   3HE   MET  11          3HE       MET  11  -1.820   8.853   5.977
   59    H    LEU  12           H        LEU  12  -0.533   4.933   0.800
   60    HA   LEU  12           HA       LEU  12   1.951   5.688  -0.250
   61   1HB   LEU  12          1HB       LEU  12   0.706   2.936  -0.228
   62   2HB   LEU  12          2HB       LEU  12   2.411   3.293  -0.433
   63    HG   LEU  12           HG       LEU  12   0.840   3.955   2.057
   64   1HD1  LEU  12          1HD1      LEU  12   2.668   1.624   1.496
   65   2HD1  LEU  12          2HD1      LEU  12   0.924   1.547   1.745
   66   3HD1  LEU  12          3HD1      LEU  12   1.982   2.037   3.067
   67   1HD2  LEU  12          1HD2      LEU  12   3.802   3.930   1.485
   68   2HD2  LEU  12          2HD2      LEU  12   3.061   4.240   3.055
   69   3HD2  LEU  12          3HD2      LEU  12   2.799   5.361   1.718
   70    H    LEU  13           H        LEU  13  -0.966   4.525  -1.796
   71    HA   LEU  13           HA       LEU  13   0.118   3.895  -4.316
   72   1HB   LEU  13          1HB       LEU  13  -2.632   4.716  -3.419
   73   2HB   LEU  13          2HB       LEU  13  -2.274   4.388  -5.103
   74    HG   LEU  13           HG       LEU  13  -1.798   2.372  -2.913
   75   1HD1  LEU  13          1HD1      LEU  13  -4.157   2.891  -2.922
   76   2HD1  LEU  13          2HD1      LEU  13  -3.893   1.315  -3.668
   77   3HD1  LEU  13          3HD1      LEU  13  -4.215   2.724  -4.677
   78   1HD2  LEU  13          1HD2      LEU  13  -1.992   2.155  -5.914
   79   2HD2  LEU  13          2HD2      LEU  13  -1.833   0.794  -4.807
   80   3HD2  LEU  13          3HD2      LEU  13  -0.534   1.978  -4.940
   81    H    GLU  14           H        GLU  14  -1.300   6.888  -3.044
   82    HA   GLU  14           HA       GLU  14  -1.086   8.386  -5.416
   83   1HB   GLU  14          1HB       GLU  14  -2.487   9.068  -3.511
   84   2HB   GLU  14          2HB       GLU  14  -1.040   9.356  -2.552
   85   1HG   GLU  14          1HG       GLU  14  -0.358  11.111  -4.108
   86   2HG   GLU  14          2HG       GLU  14  -1.808  10.822  -5.067
   87    H    ALA  15           H        ALA  15   1.099   8.043  -2.640
   88    HA   ALA  15           HA       ALA  15   3.059   9.859  -3.501
   89   1HB   ALA  15          1HB       ALA  15   3.308   7.410  -1.760
   90   2HB   ALA  15          2HB       ALA  15   3.047   9.072  -1.231
   91   3HB   ALA  15          3HB       ALA  15   4.578   8.614  -1.976
   92    H    ALA  16           H        ALA  16   2.555   6.446  -4.201
   93    HA   ALA  16           HA       ALA  16   5.010   5.961  -5.497
   94   1HB   ALA  16          1HB       ALA  16   2.354   4.596  -5.916
   95   2HB   ALA  16          2HB       ALA  16   3.554   4.170  -4.695
   96   3HB   ALA  16          3HB       ALA  16   3.930   3.975  -6.407
   97    H    ASP  17           H        ASP  17   1.790   6.719  -6.839
   98    HA   ASP  17           HA       ASP  17   2.648   6.853  -9.523
   99   1HB   ASP  17          1HB       ASP  17   0.257   8.074  -8.131
  100   2HB   ASP  17          2HB       ASP  17   0.506   8.142  -9.873
  101    H    TYR  18           H        TYR  18   2.805   9.084  -6.889
  102    HA   TYR  18           HA       TYR  18   3.095  11.483  -8.355
  103   1HB   TYR  18          1HB       TYR  18   2.575  11.571  -5.997
  104   2HB   TYR  18          2HB       TYR  18   4.052  10.701  -5.594
  105    HD1  TYR  18           HD1      TYR  18   6.172  11.832  -5.496
  106    HD2  TYR  18           HD2      TYR  18   2.669  13.926  -6.698
  107    HE1  TYR  18           HE1      TYR  18   7.364  13.966  -5.232
  108    HE2  TYR  18           HE2      TYR  18   3.853  16.066  -6.440
  109    HH   TYR  18           HH       TYR  18   5.794  16.959  -5.189
  110    H    LEU  19           H        LEU  19   5.556   9.470  -6.743
  111    HA   LEU  19           HA       LEU  19   7.783  10.806  -7.805
  112   1HB   LEU  19          1HB       LEU  19   7.636   7.903  -7.001
  113   2HB   LEU  19          2HB       LEU  19   9.076   8.898  -7.081
  114    HG   LEU  19           HG       LEU  19   6.797   9.401  -5.174
  115   1HD1  LEU  19          1HD1      LEU  19   7.706   7.309  -4.542
  116   2HD1  LEU  19          2HD1      LEU  19   8.431   8.507  -3.471
  117   3HD1  LEU  19          3HD1      LEU  19   9.357   7.860  -4.824
  118   1HD2  LEU  19          1HD2      LEU  19   9.611  10.484  -5.304
  119   2HD2  LEU  19          2HD2      LEU  19   8.438  10.821  -4.030
  120   3HD2  LEU  19          3HD2      LEU  19   8.133  11.372  -5.678
  121    H    GLU  20           H        GLU  20   6.250   7.761  -8.820
  122    HA   GLU  20           HA       GLU  20   7.845   7.136 -10.978
  123   1HB   GLU  20          1HB       GLU  20   6.101   5.647 -10.133
  124   2HB   GLU  20          2HB       GLU  20   4.858   6.746 -10.713
  125   1HG   GLU  20          1HG       GLU  20   5.117   4.838 -12.194
  126   2HG   GLU  20          2HG       GLU  20   5.546   6.343 -13.008
  127    H    ARG  21           H        ARG  21   4.775   8.949 -11.136
  128    HA   ARG  21           HA       ARG  21   5.723  10.137 -13.659
  129   1HB   ARG  21          1HB       ARG  21   3.698   8.766 -13.905
  130   2HB   ARG  21          2HB       ARG  21   2.884   9.747 -12.693
  131   1HG   ARG  21          1HG       ARG  21   2.163  10.412 -14.886
  132   2HG   ARG  21          2HG       ARG  21   3.119  11.710 -14.167
  133   1HD   ARG  21          1HD       ARG  21   3.691  11.358 -16.523
  134   2HD   ARG  21          2HD       ARG  21   5.059  11.027 -15.461
  135    HE   ARG  21           HE       ARG  21   3.877   8.597 -15.810
  136   1HH1  ARG  21          1HH1      ARG  21   5.111  11.046 -17.959
  137   2HH1  ARG  21          2HH1      ARG  21   5.569   9.919 -19.191
  138   1HH2  ARG  21          1HH2      ARG  21   4.477   7.105 -17.426
  139   2HH2  ARG  21          2HH2      ARG  21   5.210   7.678 -18.888
  140   1H    SER 295          1H        SER 295 -12.059  15.924   0.459
  141   2H    SER 295          2H        SER 295 -11.602  15.740  -1.159
  142   3H    SER 295          3H        SER 295 -12.380  17.155  -0.657
  143    HA   SER 295           HA       SER 295 -10.018  17.519  -0.977
  144   1HB   SER 295          1HB       SER 295  -9.565  18.530   1.231
  145   2HB   SER 295          2HB       SER 295 -11.211  18.862   0.692
  146    HG   SER 295           HG       SER 295 -10.765  18.048   2.967
  147    H    LEU 296           H        LEU 296  -7.972  17.394   0.608
  148    HA   LEU 296           HA       LEU 296  -7.563  14.646   1.510
  149   1HB   LEU 296          1HB       LEU 296  -6.857  14.660  -0.829
  150   2HB   LEU 296          2HB       LEU 296  -5.801  16.024  -0.518
  151    HG   LEU 296           HG       LEU 296  -4.467  14.602   1.018
  152   1HD1  LEU 296          1HD1      LEU 296  -4.799  12.170   0.948
  153   2HD1  LEU 296          2HD1      LEU 296  -6.272  12.409   0.008
  154   3HD1  LEU 296          3HD1      LEU 296  -6.175  13.008   1.664
  155   1HD2  LEU 296          1HD2      LEU 296  -3.786  14.898  -1.301
  156   2HD2  LEU 296          2HD2      LEU 296  -4.794  13.533  -1.782
  157   3HD2  LEU 296          3HD2      LEU 296  -3.399  13.273  -0.735
  158    H    GLN 297           H        GLN 297  -6.456  17.972   1.321
  159    HA   GLN 297           HA       GLN 297  -4.356  17.675   3.238
  160   1HB   GLN 297          1HB       GLN 297  -5.788  20.135   2.222
  161   2HB   GLN 297          2HB       GLN 297  -4.369  20.168   3.260
  162   1HG   GLN 297          1HG       GLN 297  -3.075  19.032   1.530
  163   2HG   GLN 297          2HG       GLN 297  -4.497  18.999   0.489
  164   1HE2  GLN 297          1HE2      GLN 297  -2.032  20.987   1.921
  165   2HE2  GLN 297          2HE2      GLN 297  -2.281  22.375   0.922
  166    H    ASN 298           H        ASN 298  -4.408  17.852   5.404
  167    HA   ASN 298           HA       ASN 298  -7.010  18.463   6.642
  168   1HB   ASN 298          1HB       ASN 298  -6.351  16.150   7.005
  169   2HB   ASN 298          2HB       ASN 298  -4.786  16.665   7.628
  170   1HD2  ASN 298          1HD2      ASN 298  -4.653  17.571   9.674
  171   2HD2  ASN 298          2HD2      ASN 298  -5.933  17.432  10.826
  172    H    ASN 299           H        ASN 299  -3.624  18.352   7.758
  173    HA   ASN 299           HA       ASN 299  -3.737  21.164   8.477
  174   1HB   ASN 299          1HB       ASN 299  -4.685  20.052  10.450
  175   2HB   ASN 299          2HB       ASN 299  -3.265  19.014  10.555
  176   1HD2  ASN 299          1HD2      ASN 299  -4.514  22.224  11.000
  177   2HD2  ASN 299          2HD2      ASN 299  -3.184  22.832  11.921
  178    H    GLN 300           H        GLN 300  -1.805  18.225   9.073
  179    HA   GLN 300           HA       GLN 300   0.586  19.744   8.281
  180   1HB   GLN 300          1HB       GLN 300   1.875  18.098   9.567
  181   2HB   GLN 300          2HB       GLN 300   0.679  18.906  10.571
  182   1HG   GLN 300          1HG       GLN 300  -0.797  16.958  10.329
  183   2HG   GLN 300          2HG       GLN 300   0.454  16.168   9.374
  184   1HE2  GLN 300          1HE2      GLN 300   1.173  18.185  12.122
  185   2HE2  GLN 300          2HE2      GLN 300   1.720  16.917  13.159
  186    HA   PRO 301           HA       PRO 301   0.854  16.899   4.859
  187   1HB   PRO 301          1HB       PRO 301   3.055  17.846   3.707
  188   2HB   PRO 301          2HB       PRO 301   1.592  18.836   3.800
  189   1HG   PRO 301          1HG       PRO 301   4.084  18.978   5.434
  190   2HG   PRO 301          2HG       PRO 301   3.056  20.291   4.839
  191   1HD   PRO 301          1HD       PRO 301   2.995  19.181   7.413
  192   2HD   PRO 301          2HD       PRO 301   1.750  20.220   6.697
  193    H    VAL 302           H        VAL 302   2.396  16.456   7.599
  194    HA   VAL 302           HA       VAL 302   4.807  15.147   6.972
  195    HB   VAL 302           HB       VAL 302   3.012  14.557   9.329
  196   1HG1  VAL 302          1HG1      VAL 302   5.992  14.264   8.961
  197   2HG1  VAL 302          2HG1      VAL 302   4.819  12.948   9.003
  198   3HG1  VAL 302          3HG1      VAL 302   5.096  13.929  10.442
  199   1HG2  VAL 302          1HG2      VAL 302   5.103  16.702   8.977
  200   2HG2  VAL 302          2HG2      VAL 302   4.366  16.261  10.517
  201   3HG2  VAL 302          3HG2      VAL 302   3.373  16.938   9.226
  202    H    GLU 303           H        GLU 303   1.487  14.106   6.855
  203    HA   GLU 303           HA       GLU 303   1.931  11.315   6.878
  204   1HB   GLU 303          1HB       GLU 303  -0.314  13.007   5.800
  205   2HB   GLU 303          2HB       GLU 303  -0.329  11.251   5.702
  206   1HG   GLU 303          1HG       GLU 303  -1.590  11.890   7.607
  207   2HG   GLU 303          2HG       GLU 303  -0.084  11.175   8.174
  208    H    PHE 304           H        PHE 304   1.613  13.653   4.230
  209    HA   PHE 304           HA       PHE 304   1.867  11.790   2.128
  210   1HB   PHE 304          1HB       PHE 304   1.003  14.127   1.896
  211   2HB   PHE 304          2HB       PHE 304   2.651  14.713   2.099
  212    HD1  PHE 304           HD1      PHE 304   3.960  15.058   0.238
  213    HD2  PHE 304           HD2      PHE 304   0.648  12.398  -0.024
  214    HE1  PHE 304           HE1      PHE 304   4.345  14.824  -2.181
  215    HE2  PHE 304           HE2      PHE 304   1.027  12.157  -2.443
  216    HZ   PHE 304           HZ       PHE 304   2.878  13.371  -3.524
  217    H    ASN 305           H        ASN 305   4.241  13.848   3.773
  218    HA   ASN 305           HA       ASN 305   6.486  13.138   2.260
  219   1HB   ASN 305          1HB       ASN 305   6.482  15.042   3.800
  220   2HB   ASN 305          2HB       ASN 305   6.327  13.948   5.172
  221   1HD2  ASN 305          1HD2      ASN 305   8.092  12.735   5.827
  222   2HD2  ASN 305          2HD2      ASN 305   9.699  13.091   5.303
  223    H    HIS 306           H        HIS 306   5.051  11.662   5.127
  224    HA   HIS 306           HA       HIS 306   7.083   9.749   5.572
  225   1HB   HIS 306          1HB       HIS 306   5.404  10.371   7.276
  226   2HB   HIS 306          2HB       HIS 306   4.149   9.608   6.305
  227    HD1  HIS 306           HD1      HIS 306   3.642   7.269   6.928
  228    HD2  HIS 306           HD2      HIS 306   7.488   8.369   8.051
  229    HE1  HIS 306           HE1      HIS 306   4.567   5.294   8.177
  230    HE2  HIS 306           HE2      HIS 306   6.864   6.016   8.923
  231    H    ALA 307           H        ALA 307   4.161   9.758   3.613
  232    HA   ALA 307           HA       ALA 307   4.109   7.033   2.934
  233   1HB   ALA 307          1HB       ALA 307   2.237   8.575   2.547
  234   2HB   ALA 307          2HB       ALA 307   2.681   7.691   1.086
  235   3HB   ALA 307          3HB       ALA 307   3.170   9.375   1.283
  236    H    ILE 308           H        ILE 308   5.583   9.816   1.285
  237    HA   ILE 308           HA       ILE 308   6.661   8.349  -0.871
  238    HB   ILE 308           HB       ILE 308   7.470  11.000   0.323
  239   1HG1  ILE 308          1HG1      ILE 308   5.973  10.273  -2.206
  240   2HG1  ILE 308          2HG1      ILE 308   5.248  10.906  -0.733
  241   1HG2  ILE 308          1HG2      ILE 308   8.481   9.690  -2.199
  242   2HG2  ILE 308          2HG2      ILE 308   9.420  10.051  -0.751
  243   3HG2  ILE 308          3HG2      ILE 308   8.778  11.364  -1.735
  244   1HD1  ILE 308          1HD1      ILE 308   6.454  12.993  -1.018
  245   2HD1  ILE 308          2HD1      ILE 308   5.490  12.620  -2.447
  246   3HD1  ILE 308          3HD1      ILE 308   7.234  12.357  -2.467
  247    H    ASN 309           H        ASN 309   7.892   9.137   2.331
  248    HA   ASN 309           HA       ASN 309  10.562   8.365   1.944
  249   1HB   ASN 309          1HB       ASN 309   9.838   9.645   3.896
  250   2HB   ASN 309          2HB       ASN 309   8.882   8.278   4.460
  251   1HD2  ASN 309          1HD2      ASN 309  12.032   7.934   2.992
  252   2HD2  ASN 309          2HD2      ASN 309  12.857   7.431   4.423
  253    H    TYR 310           H        TYR 310   7.753   6.511   3.067
  254    HA   TYR 310           HA       TYR 310   9.161   4.100   3.523
  255   1HB   TYR 310          1HB       TYR 310   6.978   4.561   4.535
  256   2HB   TYR 310          2HB       TYR 310   6.226   4.547   2.944
  257    HD1  TYR 310           HD1      TYR 310   5.257   2.597   2.182
  258    HD2  TYR 310           HD2      TYR 310   8.253   2.354   5.192
  259    HE1  TYR 310           HE1      TYR 310   4.856   0.180   2.376
  260    HE2  TYR 310           HE2      TYR 310   7.861  -0.066   5.395
  261    HH   TYR 310           HH       TYR 310   6.094  -1.834   3.129
  262    H    VAL 311           H        VAL 311   7.007   5.044   0.832
  263    HA   VAL 311           HA       VAL 311   7.355   2.765  -0.727
  264    HB   VAL 311           HB       VAL 311   6.870   5.587  -1.696
  265   1HG1  VAL 311          1HG1      VAL 311   6.391   2.931  -3.044
  266   2HG1  VAL 311          2HG1      VAL 311   7.579   4.148  -3.512
  267   3HG1  VAL 311          3HG1      VAL 311   5.856   4.496  -3.657
  268   1HG2  VAL 311          1HG2      VAL 311   4.915   3.398  -0.995
  269   2HG2  VAL 311          2HG2      VAL 311   4.506   4.983  -1.649
  270   3HG2  VAL 311          3HG2      VAL 311   5.223   4.850  -0.044
  271    H    ASN 312           H        ASN 312   9.261   5.742  -0.614
  272    HA   ASN 312           HA       ASN 312  10.969   5.096  -2.777
  273   1HB   ASN 312          1HB       ASN 312  10.796   7.389  -2.033
  274   2HB   ASN 312          2HB       ASN 312  11.361   6.955  -0.423
  275   1HD2  ASN 312          1HD2      ASN 312  12.263   7.480  -3.737
  276   2HD2  ASN 312          2HD2      ASN 312  13.968   7.551  -3.473
  277    H    LYS 313           H        LYS 313  11.077   4.456   0.679
  278    HA   LYS 313           HA       LYS 313  13.717   3.534   0.850
  279   1HB   LYS 313          1HB       LYS 313  12.355   4.038   2.826
  280   2HB   LYS 313          2HB       LYS 313  11.303   2.679   2.458
  281   1HG   LYS 313          1HG       LYS 313  13.159   1.137   2.801
  282   2HG   LYS 313          2HG       LYS 313  14.227   2.496   3.153
  283   1HD   LYS 313          1HD       LYS 313  12.848   3.083   5.084
  284   2HD   LYS 313          2HD       LYS 313  11.763   1.737   4.725
  285   1HE   LYS 313          1HE       LYS 313  13.611   0.166   5.055
  286   2HE   LYS 313          2HE       LYS 313  14.692   1.513   5.414
  287   1HZ   LYS 313          1HZ       LYS 313  13.339   2.045   7.338
  288   2HZ   LYS 313          2HZ       LYS 313  13.885   0.448   7.429
  289   3HZ   LYS 313          3HZ       LYS 313  12.285   0.769   6.988
  290    H    ILE 314           H        ILE 314  10.695   1.828   0.123
  291    HA   ILE 314           HA       ILE 314  11.863  -0.754  -0.061
  292    HB   ILE 314           HB       ILE 314   9.317   0.285  -1.316
  293   1HG1  ILE 314          1HG1      ILE 314   9.734  -1.284   1.236
  294   2HG1  ILE 314          2HG1      ILE 314   9.417   0.446   1.165
  295   1HG2  ILE 314          1HG2      ILE 314   8.660  -2.064  -1.483
  296   2HG2  ILE 314          2HG2      ILE 314  10.236  -2.552  -0.861
  297   3HG2  ILE 314          3HG2      ILE 314  10.117  -1.738  -2.422
  298   1HD1  ILE 314          1HD1      ILE 314   7.246   0.018   0.164
  299   2HD1  ILE 314          2HD1      ILE 314   7.412  -0.824   1.704
  300   3HD1  ILE 314          3HD1      ILE 314   7.566  -1.716   0.192
  301    H    LYS 315           H        LYS 315  11.104   1.740  -2.450
  302    HA   LYS 315           HA       LYS 315  11.798   0.249  -4.740
  303   1HB   LYS 315          1HB       LYS 315  10.425   2.306  -4.773
  304   2HB   LYS 315          2HB       LYS 315  11.850   3.246  -4.353
  305   1HG   LYS 315          1HG       LYS 315  12.910   2.630  -6.442
  306   2HG   LYS 315          2HG       LYS 315  11.532   1.606  -6.858
  307   1HD   LYS 315          1HD       LYS 315  10.073   3.567  -6.873
  308   2HD   LYS 315          2HD       LYS 315  11.440   4.595  -6.433
  309   1HE   LYS 315          1HE       LYS 315  12.565   4.004  -8.515
  310   2HE   LYS 315          2HE       LYS 315  11.225   2.945  -8.950
  311   1HZ   LYS 315          1HZ       LYS 315  11.073   5.090 -10.058
  312   2HZ   LYS 315          2HZ       LYS 315  11.039   5.884  -8.565
  313   3HZ   LYS 315          3HZ       LYS 315   9.766   4.863  -9.008
  314    H    ASN 316           H        ASN 316  13.688   2.149  -2.494
  315    HA   ASN 316           HA       ASN 316  16.025   2.266  -4.145
  316   1HB   ASN 316          1HB       ASN 316  15.515   2.868  -1.238
  317   2HB   ASN 316          2HB       ASN 316  17.121   2.982  -1.950
  318   1HD2  ASN 316          1HD2      ASN 316  17.244   5.182  -1.578
  319   2HD2  ASN 316          2HD2      ASN 316  16.335   6.328  -2.498
  320    H    ARG 317           H        ARG 317  15.198   0.428  -1.200
  321    HA   ARG 317           HA       ARG 317  17.558  -1.065  -1.065
  322   1HB   ARG 317          1HB       ARG 317  14.780  -1.835  -0.153
  323   2HB   ARG 317          2HB       ARG 317  16.262  -2.644   0.330
  324   1HG   ARG 317          1HG       ARG 317  15.650   0.252   0.877
  325   2HG   ARG 317          2HG       ARG 317  15.385  -1.063   2.020
  326   1HD   ARG 317          1HD       ARG 317  18.037  -0.274   0.820
  327   2HD   ARG 317          2HD       ARG 317  17.495   0.102   2.454
  328    HE   ARG 317           HE       ARG 317  17.422  -2.697   1.942
  329   1HH1  ARG 317          1HH1      ARG 317  19.559  -0.060   2.737
  330   2HH1  ARG 317          2HH1      ARG 317  20.736  -1.075   3.500
  331   1HH2  ARG 317          1HH2      ARG 317  18.967  -4.040   2.944
  332   2HH2  ARG 317          2HH2      ARG 317  20.401  -3.339   3.617
  333    H    PHE 318           H        PHE 318  14.431  -1.929  -2.540
  334    HA   PHE 318           HA       PHE 318  15.616  -4.306  -3.730
  335   1HB   PHE 318          1HB       PHE 318  12.794  -3.220  -3.801
  336   2HB   PHE 318          2HB       PHE 318  13.300  -4.728  -4.554
  337    HD1  PHE 318           HD1      PHE 318  14.102  -6.600  -3.134
  338    HD2  PHE 318           HD2      PHE 318  12.347  -3.092  -1.489
  339    HE1  PHE 318           HE1      PHE 318  13.704  -7.797  -1.020
  340    HE2  PHE 318           HE2      PHE 318  11.946  -4.279   0.629
  341    HZ   PHE 318           HZ       PHE 318  12.624  -6.635   0.864
  342    H    GLN 319           H        GLN 319  16.656  -1.813  -4.632
  343    HA   GLN 319           HA       GLN 319  15.512  -0.980  -7.074
  344   1HB   GLN 319          1HB       GLN 319  17.097   0.413  -5.851
  345   2HB   GLN 319          2HB       GLN 319  18.365  -0.781  -6.090
  346   1HG   GLN 319          1HG       GLN 319  17.082   0.222  -8.541
  347   2HG   GLN 319          2HG       GLN 319  18.026   1.398  -7.629
  348   1HE2  GLN 319          1HE2      GLN 319  19.573   1.535  -9.253
  349   2HE2  GLN 319          2HE2      GLN 319  20.721   0.276  -9.539
  350    H    GLY 320           H        GLY 320  17.900  -3.445  -6.272
  351   1HA   GLY 320          1HA       GLY 320  18.724  -4.020  -8.915
  352   2HA   GLY 320          2HA       GLY 320  18.881  -5.094  -7.534
  353    H    GLN 321           H        GLN 321  16.145  -5.364  -6.901
  354    HA   GLN 321           HA       GLN 321  15.239  -6.941  -9.216
  355   1HB   GLN 321          1HB       GLN 321  14.646  -7.301  -6.274
  356   2HB   GLN 321          2HB       GLN 321  13.962  -8.282  -7.563
  357   1HG   GLN 321          1HG       GLN 321  16.902  -8.048  -6.967
  358   2HG   GLN 321          2HG       GLN 321  15.858  -9.350  -6.396
  359   1HE2  GLN 321          1HE2      GLN 321  17.409  -7.916  -9.159
  360   2HE2  GLN 321          2HE2      GLN 321  17.206  -9.261 -10.225
  361    HA   PRO 322           HA       PRO 322  12.069  -3.648  -9.036
  362   1HB   PRO 322          1HB       PRO 322  11.332  -3.834 -11.631
  363   2HB   PRO 322          2HB       PRO 322  12.764  -2.936 -11.113
  364   1HG   PRO 322          1HG       PRO 322  12.570  -5.696 -12.260
  365   2HG   PRO 322          2HG       PRO 322  13.734  -4.409 -12.630
  366   1HD   PRO 322          1HD       PRO 322  14.305  -6.486 -10.974
  367   2HD   PRO 322          2HD       PRO 322  15.024  -4.874 -10.783
  368    H    ASP 323           H        ASP 323  11.963  -6.992  -9.639
  369    HA   ASP 323           HA       ASP 323   9.225  -7.305 -10.294
  370   1HB   ASP 323          1HB       ASP 323  10.868  -9.083 -10.686
  371   2HB   ASP 323          2HB       ASP 323  11.122  -9.244  -8.951
  372    H    ILE 324           H        ILE 324  10.994  -7.277  -7.237
  373    HA   ILE 324           HA       ILE 324   8.879  -8.026  -5.550
  374    HB   ILE 324           HB       ILE 324  11.182  -6.192  -4.874
  375   1HG1  ILE 324          1HG1      ILE 324  11.983  -8.290  -5.857
  376   2HG1  ILE 324          2HG1      ILE 324  12.350  -8.226  -4.137
  377   1HG2  ILE 324          1HG2      ILE 324   9.439  -7.922  -3.126
  378   2HG2  ILE 324          2HG2      ILE 324   9.430  -6.160  -3.197
  379   3HG2  ILE 324          3HG2      ILE 324  10.848  -7.011  -2.584
  380   1HD1  ILE 324          1HD1      ILE 324  11.597 -10.435  -4.794
  381   2HD1  ILE 324          2HD1      ILE 324  10.089  -9.754  -5.408
  382   3HD1  ILE 324          3HD1      ILE 324  10.448  -9.690  -3.682
  383    H    TYR 325           H        TYR 325  10.032  -4.811  -6.537
  384    HA   TYR 325           HA       TYR 325   8.157  -3.333  -5.043
  385   1HB   TYR 325          1HB       TYR 325  10.241  -2.399  -6.045
  386   2HB   TYR 325          2HB       TYR 325   9.496  -2.528  -7.635
  387    HD1  TYR 325           HD1      TYR 325   8.665  -1.104  -4.272
  388    HD2  TYR 325           HD2      TYR 325   8.585  -0.599  -8.496
  389    HE1  TYR 325           HE1      TYR 325   7.680   1.129  -3.980
  390    HE2  TYR 325           HE2      TYR 325   7.600   1.635  -8.216
  391    HH   TYR 325           HH       TYR 325   7.516   3.252  -5.254
  392    H    LYS 326           H        LYS 326   8.090  -4.619  -8.336
  393    HA   LYS 326           HA       LYS 326   5.687  -3.421  -9.164
  394   1HB   LYS 326          1HB       LYS 326   7.204  -4.468 -10.753
  395   2HB   LYS 326          2HB       LYS 326   6.945  -6.040 -10.010
  396   1HG   LYS 326          1HG       LYS 326   4.602  -5.983 -10.703
  397   2HG   LYS 326          2HG       LYS 326   4.863  -4.406 -11.450
  398   1HD   LYS 326          1HD       LYS 326   6.441  -5.361 -13.010
  399   2HD   LYS 326          2HD       LYS 326   6.331  -6.930 -12.211
  400   1HE   LYS 326          1HE       LYS 326   4.996  -6.894 -14.249
  401   2HE   LYS 326          2HE       LYS 326   3.972  -7.084 -12.827
  402   1HZ   LYS 326          1HZ       LYS 326   3.033  -5.497 -14.380
  403   2HZ   LYS 326          2HZ       LYS 326   4.430  -4.547 -14.303
  404   3HZ   LYS 326          3HZ       LYS 326   3.452  -4.724 -12.934
  405    H    ALA 327           H        ALA 327   6.351  -6.462  -7.492
  406    HA   ALA 327           HA       ALA 327   3.734  -7.491  -7.527
  407   1HB   ALA 327          1HB       ALA 327   5.696  -8.853  -6.991
  408   2HB   ALA 327          2HB       ALA 327   4.474  -8.958  -5.725
  409   3HB   ALA 327          3HB       ALA 327   5.906  -7.958  -5.486
  410    H    PHE 328           H        PHE 328   5.452  -5.525  -5.123
  411    HA   PHE 328           HA       PHE 328   3.487  -5.415  -3.163
  412   1HB   PHE 328          1HB       PHE 328   5.815  -4.555  -2.929
  413   2HB   PHE 328          2HB       PHE 328   5.383  -3.188  -3.948
  414    HD1  PHE 328           HD1      PHE 328   4.093  -4.907  -0.894
  415    HD2  PHE 328           HD2      PHE 328   4.897  -1.228  -2.877
  416    HE1  PHE 328           HE1      PHE 328   3.344  -3.675   1.098
  417    HE2  PHE 328           HE2      PHE 328   4.147   0.012  -0.888
  418    HZ   PHE 328           HZ       PHE 328   3.369  -1.212   1.103
  419    H    LEU 329           H        LEU 329   4.106  -2.997  -5.720
  420    HA   LEU 329           HA       LEU 329   1.845  -1.437  -5.262
  421   1HB   LEU 329          1HB       LEU 329   3.389  -1.957  -7.800
  422   2HB   LEU 329          2HB       LEU 329   2.095  -0.778  -7.695
  423    HG   LEU 329           HG       LEU 329   4.656  -0.708  -6.093
  424   1HD1  LEU 329          1HD1      LEU 329   3.736   0.942  -8.442
  425   2HD1  LEU 329          2HD1      LEU 329   5.051  -0.232  -8.437
  426   3HD1  LEU 329          3HD1      LEU 329   5.185   1.245  -7.483
  427   1HD2  LEU 329          1HD2      LEU 329   2.373   1.258  -6.269
  428   2HD2  LEU 329          2HD2      LEU 329   3.902   1.537  -5.436
  429   3HD2  LEU 329          3HD2      LEU 329   2.804   0.280  -4.866
  430    H    GLU 330           H        GLU 330   2.240  -4.419  -7.066
  431    HA   GLU 330           HA       GLU 330  -0.235  -4.401  -8.408
  432   1HB   GLU 330          1HB       GLU 330   1.616  -5.941  -8.971
  433   2HB   GLU 330          2HB       GLU 330   1.361  -6.787  -7.451
  434   1HG   GLU 330          1HG       GLU 330  -0.878  -7.429  -8.176
  435   2HG   GLU 330          2HG       GLU 330  -0.634  -6.568  -9.695
  436    H    ILE 331           H        ILE 331   0.724  -5.399  -5.181
  437    HA   ILE 331           HA       ILE 331  -1.697  -6.683  -4.470
  438    HB   ILE 331           HB       ILE 331   0.366  -5.343  -2.712
  439   1HG1  ILE 331          1HG1      ILE 331  -0.058  -8.271  -3.349
  440   2HG1  ILE 331          2HG1      ILE 331   1.176  -7.257  -4.088
  441   1HG2  ILE 331          1HG2      ILE 331  -1.734  -5.497  -1.528
  442   2HG2  ILE 331          2HG2      ILE 331  -0.606  -6.692  -0.887
  443   3HG2  ILE 331          3HG2      ILE 331  -1.899  -7.194  -1.979
  444   1HD1  ILE 331          1HD1      ILE 331   2.212  -6.919  -1.910
  445   2HD1  ILE 331          2HD1      ILE 331   2.097  -8.633  -2.310
  446   3HD1  ILE 331          3HD1      ILE 331   0.968  -7.918  -1.160
  447    H    LEU 332           H        LEU 332  -0.448  -3.440  -3.638
  448    HA   LEU 332           HA       LEU 332  -2.779  -2.495  -2.427
  449   1HB   LEU 332          1HB       LEU 332  -0.587  -1.022  -3.881
  450   2HB   LEU 332          2HB       LEU 332  -1.876  -0.210  -3.014
  451    HG   LEU 332           HG       LEU 332  -1.038  -1.743  -1.026
  452   1HD1  LEU 332          1HD1      LEU 332   0.629  -2.994  -2.123
  453   2HD1  LEU 332          2HD1      LEU 332   1.476  -1.819  -1.122
  454   3HD1  LEU 332          3HD1      LEU 332   1.331  -1.554  -2.859
  455   1HD2  LEU 332          1HD2      LEU 332  -1.132   0.693  -1.007
  456   2HD2  LEU 332          2HD2      LEU 332   0.374   0.765  -1.922
  457   3HD2  LEU 332          3HD2      LEU 332   0.367   0.112  -0.282
  458    H    HIS 333           H        HIS 333  -1.865  -2.651  -5.810
  459    HA   HIS 333           HA       HIS 333  -3.861  -0.945  -6.838
  460   1HB   HIS 333          1HB       HIS 333  -2.095  -3.066  -7.963
  461   2HB   HIS 333          2HB       HIS 333  -3.493  -2.577  -8.915
  462    HD1  HIS 333           HD1      HIS 333  -2.294  -1.317 -10.735
  463    HD2  HIS 333           HD2      HIS 333  -1.244  -0.026  -6.928
  464    HE1  HIS 333           HE1      HIS 333  -0.925   0.764 -11.085
  465    HE2  HIS 333           HE2      HIS 333  -0.370   1.572  -8.764
  466    H    THR 334           H        THR 334  -3.766  -4.478  -6.446
  467    HA   THR 334           HA       THR 334  -6.319  -5.024  -7.450
  468    HB   THR 334           HB       THR 334  -4.889  -6.538  -5.253
  469    HG1  THR 334           HG1      THR 334  -3.786  -7.553  -6.840
  470   1HG2  THR 334          1HG2      THR 334  -7.247  -7.163  -5.540
  471   2HG2  THR 334          2HG2      THR 334  -6.168  -8.458  -6.059
  472   3HG2  THR 334          3HG2      THR 334  -6.962  -7.437  -7.258
  473    H    TYR 335           H        TYR 335  -5.213  -4.055  -4.256
  474    HA   TYR 335           HA       TYR 335  -7.663  -4.435  -2.899
  475   1HB   TYR 335          1HB       TYR 335  -5.414  -4.117  -1.815
  476   2HB   TYR 335          2HB       TYR 335  -5.513  -2.412  -2.240
  477    HD1  TYR 335           HD1      TYR 335  -6.777  -5.045  -0.047
  478    HD2  TYR 335           HD2      TYR 335  -7.090  -0.935  -1.100
  479    HE1  TYR 335           HE1      TYR 335  -8.014  -4.613   2.034
  480    HE2  TYR 335           HE2      TYR 335  -8.326  -0.490   0.977
  481    HH   TYR 335           HH       TYR 335  -9.731  -1.775   2.594
  482    H    GLN 336           H        GLN 336  -6.290  -1.750  -4.712
  483    HA   GLN 336           HA       GLN 336  -8.217   0.195  -4.047
  484   1HB   GLN 336          1HB       GLN 336  -6.074   0.771  -5.083
  485   2HB   GLN 336          2HB       GLN 336  -6.541  -0.081  -6.550
  486   1HG   GLN 336          1HG       GLN 336  -8.374   1.510  -6.880
  487   2HG   GLN 336          2HG       GLN 336  -7.875   2.373  -5.426
  488   1HE2  GLN 336          1HE2      GLN 336  -5.032   1.959  -5.985
  489   2HE2  GLN 336          2HE2      GLN 336  -4.635   3.055  -7.259
  490    H    LYS 337           H        LYS 337  -8.031  -2.157  -6.690
  491    HA   LYS 337           HA       LYS 337 -10.320  -1.325  -8.086
  492   1HB   LYS 337          1HB       LYS 337  -9.196  -4.122  -7.897
  493   2HB   LYS 337          2HB       LYS 337 -10.276  -3.515  -9.144
  494   1HG   LYS 337          1HG       LYS 337  -8.534  -1.923  -9.844
  495   2HG   LYS 337          2HG       LYS 337  -7.449  -2.615  -8.636
  496   1HD   LYS 337          1HD       LYS 337  -7.651  -4.805  -9.743
  497   2HD   LYS 337          2HD       LYS 337  -8.686  -4.073 -10.971
  498   1HE   LYS 337          1HE       LYS 337  -6.839  -2.555 -11.577
  499   2HE   LYS 337          2HE       LYS 337  -5.811  -3.365 -10.395
  500   1HZ   LYS 337          1HZ       LYS 337  -5.425  -4.210 -12.621
  501   2HZ   LYS 337          2HZ       LYS 337  -7.052  -4.643 -12.771
  502   3HZ   LYS 337          3HZ       LYS 337  -6.071  -5.425 -11.635
  503    H    GLU 338           H        GLU 338  -9.924  -3.908  -5.661
  504    HA   GLU 338           HA       GLU 338 -12.653  -4.620  -5.580
  505   1HB   GLU 338          1HB       GLU 338 -10.539  -4.947  -3.442
  506   2HB   GLU 338          2HB       GLU 338 -12.091  -5.772  -3.478
  507   1HG   GLU 338          1HG       GLU 338  -9.868  -6.073  -5.484
  508   2HG   GLU 338          2HG       GLU 338 -10.323  -7.235  -4.239
  509    H    GLN 339           H        GLN 339 -10.853  -2.051  -4.126
  510    HA   GLN 339           HA       GLN 339 -12.620  -1.450  -1.995
  511   1HB   GLN 339          1HB       GLN 339 -10.343  -0.598  -2.020
  512   2HB   GLN 339          2HB       GLN 339 -10.667   0.309  -3.490
  513   1HG   GLN 339          1HG       GLN 339 -12.292   1.682  -2.274
  514   2HG   GLN 339          2HG       GLN 339 -11.936   0.780  -0.800
  515   1HE2  GLN 339          1HE2      GLN 339  -9.093   0.575  -1.422
  516   2HE2  GLN 339          2HE2      GLN 339  -8.421   2.136  -1.116
  517    H    ARG 340           H        ARG 340 -12.154   0.271  -5.091
  518    HA   ARG 340           HA       ARG 340 -14.401   1.914  -4.877
  519   1HB   ARG 340          1HB       ARG 340 -12.584   2.289  -6.493
  520   2HB   ARG 340          2HB       ARG 340 -13.093   0.867  -7.394
  521   1HG   ARG 340          1HG       ARG 340 -15.258   1.951  -7.836
  522   2HG   ARG 340          2HG       ARG 340 -14.686   3.390  -6.991
  523   1HD   ARG 340          1HD       ARG 340 -12.876   3.628  -8.616
  524   2HD   ARG 340          2HD       ARG 340 -13.433   2.179  -9.454
  525    HE   ARG 340           HE       ARG 340 -15.617   3.760  -9.481
  526   1HH1  ARG 340          1HH1      ARG 340 -12.294   4.305 -10.377
  527   2HH1  ARG 340          2HH1      ARG 340 -12.682   5.458 -11.610
  528   1HH2  ARG 340          1HH2      ARG 340 -16.137   5.276 -11.099
  529   2HH2  ARG 340          2HH2      ARG 340 -14.868   6.015 -12.016
  530    H    ASN 341           H        ASN 341 -14.045  -1.292  -6.339
  531    HA   ASN 341           HA       ASN 341 -16.588  -1.498  -7.482
  532   1HB   ASN 341          1HB       ASN 341 -14.642  -3.061  -7.844
  533   2HB   ASN 341          2HB       ASN 341 -15.011  -3.781  -6.281
  534   1HD2  ASN 341          1HD2      ASN 341 -16.969  -4.910  -6.023
  535   2HD2  ASN 341          2HD2      ASN 341 -17.817  -5.551  -7.384
  536    H    ALA 342           H        ALA 342 -15.445  -2.465  -4.260
  537    HA   ALA 342           HA       ALA 342 -17.864  -3.549  -3.336
  538   1HB   ALA 342          1HB       ALA 342 -15.664  -2.248  -1.736
  539   2HB   ALA 342          2HB       ALA 342 -15.718  -3.939  -2.234
  540   3HB   ALA 342          3HB       ALA 342 -16.917  -3.315  -1.101
  541    H    LYS 343           H        LYS 343 -16.608  -0.250  -3.272
  542    HA   LYS 343           HA       LYS 343 -18.633   0.833  -1.616
  543   1HB   LYS 343          1HB       LYS 343 -16.849   2.154  -3.665
  544   2HB   LYS 343          2HB       LYS 343 -17.880   3.024  -2.538
  545   1HG   LYS 343          1HG       LYS 343 -16.643   2.104  -0.661
  546   2HG   LYS 343          2HG       LYS 343 -15.633   1.173  -1.768
  547   1HD   LYS 343          1HD       LYS 343 -14.445   3.160  -1.081
  548   2HD   LYS 343          2HD       LYS 343 -14.865   3.292  -2.789
  549   1HE   LYS 343          1HE       LYS 343 -16.801   4.685  -2.185
  550   2HE   LYS 343          2HE       LYS 343 -16.336   4.575  -0.488
  551   1HZ   LYS 343          1HZ       LYS 343 -15.566   6.636  -1.439
  552   2HZ   LYS 343          2HZ       LYS 343 -14.739   5.814  -2.663
  553   3HZ   LYS 343          3HZ       LYS 343 -14.236   5.663  -1.056
  554    H    GLU 344           H        GLU 344 -18.359   0.364  -5.092
  555    HA   GLU 344           HA       GLU 344 -20.786   1.825  -5.652
  556   1HB   GLU 344          1HB       GLU 344 -18.878   1.740  -7.247
  557   2HB   GLU 344          2HB       GLU 344 -19.174   0.022  -7.468
  558   1HG   GLU 344          1HG       GLU 344 -21.349   0.479  -8.407
  559   2HG   GLU 344          2HG       GLU 344 -21.150   2.204  -8.098
  560    H    ALA 345           H        ALA 345 -19.940  -1.358  -4.758
  561    HA   ALA 345           HA       ALA 345 -22.629  -2.317  -5.500
  562   1HB   ALA 345          1HB       ALA 345 -20.054  -3.866  -5.256
  563   2HB   ALA 345          2HB       ALA 345 -20.982  -3.559  -6.725
  564   3HB   ALA 345          3HB       ALA 345 -21.641  -4.604  -5.467
  565    H    GLY 346           H        GLY 346 -21.745  -0.878  -3.062
  566   1HA   GLY 346          1HA       GLY 346 -21.446  -2.589  -0.868
  567   2HA   GLY 346          2HA       GLY 346 -22.121  -0.967  -0.801
  568    H    GLY 347           H        GLY 347 -22.772  -4.323  -0.694
  569   1HA   GLY 347          1HA       GLY 347 -25.359  -3.944   0.384
  570   2HA   GLY 347          2HA       GLY 347 -25.491  -4.433  -1.299
  571    H    ASN 348           H        ASN 348 -24.544  -6.472  -1.931
  572    HA   ASN 348           HA       ASN 348 -24.304  -8.360   0.321
  573   1HB   ASN 348          1HB       ASN 348 -25.553  -8.868  -2.388
  574   2HB   ASN 348          2HB       ASN 348 -25.359 -10.065  -1.111
  575   1HD2  ASN 348          1HD2      ASN 348 -27.774  -9.062  -2.417
  576   2HD2  ASN 348          2HD2      ASN 348 -28.775  -8.450  -1.150
  577    H    TYR 349           H        TYR 349 -22.731  -6.935  -2.231
  578    HA   TYR 349           HA       TYR 349 -21.233  -9.125  -3.248
  579   1HB   TYR 349          1HB       TYR 349 -21.485  -7.018  -4.494
  580   2HB   TYR 349          2HB       TYR 349 -20.568  -6.171  -3.252
  581    HD1  TYR 349           HD1      TYR 349 -20.326  -8.804  -5.850
  582    HD2  TYR 349           HD2      TYR 349 -18.210  -6.133  -3.304
  583    HE1  TYR 349           HE1      TYR 349 -18.241  -9.326  -7.045
  584    HE2  TYR 349           HE2      TYR 349 -16.118  -6.645  -4.494
  585    HH   TYR 349           HH       TYR 349 -15.184  -8.465  -5.871
  586    H    THR 350           H        THR 350 -19.255  -9.914  -2.683
  587    HA   THR 350           HA       THR 350 -18.124  -8.906  -0.158
  588    HB   THR 350           HB       THR 350 -18.974 -11.109   0.222
  589    HG1  THR 350           HG1      THR 350 -16.376 -10.524   0.388
  590   1HG2  THR 350          1HG2      THR 350 -19.160 -11.892  -2.064
  591   2HG2  THR 350          2HG2      THR 350 -18.221 -13.048  -1.117
  592   3HG2  THR 350          3HG2      THR 350 -17.405 -11.940  -2.219
  593    HA   PRO 351           HA       PRO 351 -14.537  -7.885  -2.618
  594   1HB   PRO 351          1HB       PRO 351 -13.107  -7.856  -0.034
  595   2HB   PRO 351          2HB       PRO 351 -13.320  -6.561  -1.216
  596   1HG   PRO 351          1HG       PRO 351 -14.612  -6.532   1.130
  597   2HG   PRO 351          2HG       PRO 351 -15.373  -5.934  -0.357
  598   1HD   PRO 351          1HD       PRO 351 -15.760  -8.550   1.051
  599   2HD   PRO 351          2HD       PRO 351 -16.966  -7.492   0.289
  600    H    ALA 352           H        ALA 352 -12.762  -8.934  -3.419
  601    HA   ALA 352           HA       ALA 352 -12.381 -11.681  -2.518
  602   1HB   ALA 352          1HB       ALA 352 -11.236 -12.043  -4.604
  603   2HB   ALA 352          2HB       ALA 352 -11.214 -10.311  -4.938
  604   3HB   ALA 352          3HB       ALA 352 -12.746 -11.187  -4.921
  605    H    LEU 353           H        LEU 353 -11.103  -8.760  -1.768
  606    HA   LEU 353           HA       LEU 353  -8.643  -9.973  -0.781
  607   1HB   LEU 353          1HB       LEU 353  -8.048  -8.977  -2.954
  608   2HB   LEU 353          2HB       LEU 353  -8.671  -7.429  -2.411
  609    HG   LEU 353           HG       LEU 353  -6.931  -7.402  -0.629
  610   1HD1  LEU 353          1HD1      LEU 353  -5.860  -9.816  -2.085
  611   2HD1  LEU 353          2HD1      LEU 353  -6.572  -9.818  -0.472
  612   3HD1  LEU 353          3HD1      LEU 353  -5.064  -8.953  -0.768
  613   1HD2  LEU 353          1HD2      LEU 353  -5.078  -6.857  -2.115
  614   2HD2  LEU 353          2HD2      LEU 353  -6.599  -6.226  -2.746
  615   3HD2  LEU 353          3HD2      LEU 353  -5.891  -7.681  -3.446
  616    H    THR 354           H        THR 354  -8.886  -9.672   1.343
  617    HA   THR 354           HA       THR 354  -9.970  -7.117   2.304
  618    HB   THR 354           HB       THR 354 -10.367  -8.221   4.433
  619    HG1  THR 354           HG1      THR 354  -9.977 -10.649   4.315
  620   1HG2  THR 354          1HG2      THR 354 -11.313  -9.955   2.149
  621   2HG2  THR 354          2HG2      THR 354 -12.063  -8.442   2.655
  622   3HG2  THR 354          3HG2      THR 354 -12.053  -9.830   3.744
  623    H    GLU 355           H        GLU 355  -9.026  -6.786   4.730
  624    HA   GLU 355           HA       GLU 355  -6.408  -5.819   4.367
  625   1HB   GLU 355          1HB       GLU 355  -7.930  -6.322   6.929
  626   2HB   GLU 355          2HB       GLU 355  -6.458  -5.370   6.798
  627   1HG   GLU 355          1HG       GLU 355  -7.598  -3.777   5.358
  628   2HG   GLU 355          2HG       GLU 355  -9.073  -4.740   5.450
  629    H    GLN 356           H        GLN 356  -7.629  -8.617   6.186
  630    HA   GLN 356           HA       GLN 356  -5.181  -9.527   7.171
  631   1HB   GLN 356          1HB       GLN 356  -7.515 -10.307   7.810
  632   2HB   GLN 356          2HB       GLN 356  -7.483 -11.306   6.364
  633   1HG   GLN 356          1HG       GLN 356  -5.383 -11.493   8.499
  634   2HG   GLN 356          2HG       GLN 356  -6.878 -12.425   8.549
  635   1HE2  GLN 356          1HE2      GLN 356  -4.106 -13.320   8.343
  636   2HE2  GLN 356          2HE2      GLN 356  -4.017 -14.267   6.900
  637    H    GLU 357           H        GLU 357  -6.838 -10.220   4.124
  638    HA   GLU 357           HA       GLU 357  -5.135 -12.205   3.155
  639   1HB   GLU 357          1HB       GLU 357  -6.744 -10.117   1.683
  640   2HB   GLU 357          2HB       GLU 357  -5.922 -11.452   0.886
  641   1HG   GLU 357          1HG       GLU 357  -8.077 -11.727   2.969
  642   2HG   GLU 357          2HG       GLU 357  -8.304 -11.891   1.228
  643    H    VAL 358           H        VAL 358  -4.995  -8.682   2.667
  644    HA   VAL 358           HA       VAL 358  -2.700  -8.649   1.063
  645    HB   VAL 358           HB       VAL 358  -3.792  -6.561   2.950
  646   1HG1  VAL 358          1HG1      VAL 358  -2.343  -4.958   1.734
  647   2HG1  VAL 358          2HG1      VAL 358  -1.550  -6.321   0.944
  648   3HG1  VAL 358          3HG1      VAL 358  -1.433  -6.124   2.694
  649   1HG2  VAL 358          1HG2      VAL 358  -4.572  -5.493   0.899
  650   2HG2  VAL 358          2HG2      VAL 358  -5.222  -7.126   1.052
  651   3HG2  VAL 358          3HG2      VAL 358  -3.882  -6.809  -0.052
  652    H    TYR 359           H        TYR 359  -2.963  -7.971   4.554
  653    HA   TYR 359           HA       TYR 359  -0.334  -7.671   5.203
  654   1HB   TYR 359          1HB       TYR 359  -2.331  -7.506   6.745
  655   2HB   TYR 359          2HB       TYR 359  -2.266  -9.259   6.898
  656    HD1  TYR 359           HD1      TYR 359  -0.567  -6.105   7.702
  657    HD2  TYR 359           HD2      TYR 359  -0.544 -10.329   8.204
  658    HE1  TYR 359           HE1      TYR 359   1.079  -5.873   9.513
  659    HE2  TYR 359           HE2      TYR 359   1.102 -10.109  10.019
  660    HH   TYR 359           HH       TYR 359   1.841  -7.140  11.479
  661    H    ALA 360           H        ALA 360  -2.061 -10.717   4.710
  662    HA   ALA 360           HA       ALA 360   0.022 -12.432   5.543
  663   1HB   ALA 360          1HB       ALA 360  -2.314 -13.157   5.311
  664   2HB   ALA 360          2HB       ALA 360  -1.206 -14.196   4.414
  665   3HB   ALA 360          3HB       ALA 360  -2.178 -12.999   3.559
  666    H    GLN 361           H        GLN 361  -1.006 -11.494   2.255
  667    HA   GLN 361           HA       GLN 361   1.021 -12.809   0.864
  668   1HB   GLN 361          1HB       GLN 361  -0.458 -10.270   0.155
  669   2HB   GLN 361          2HB       GLN 361   0.545 -11.182  -0.964
  670   1HG   GLN 361          1HG       GLN 361  -0.926 -13.097  -0.762
  671   2HG   GLN 361          2HG       GLN 361  -1.910 -12.237   0.422
  672   1HE2  GLN 361          1HE2      GLN 361  -2.620 -13.369  -2.185
  673   2HE2  GLN 361          2HE2      GLN 361  -3.287 -12.066  -3.100
  674    H    VAL 362           H        VAL 362   0.884  -9.403   1.892
  675    HA   VAL 362           HA       VAL 362   3.398  -8.634   0.988
  676    HB   VAL 362           HB       VAL 362   2.074  -7.602   3.501
  677   1HG1  VAL 362          1HG1      VAL 362   3.996  -6.312   1.568
  678   2HG1  VAL 362          2HG1      VAL 362   4.378  -6.872   3.197
  679   3HG1  VAL 362          3HG1      VAL 362   3.260  -5.528   2.965
  680   1HG2  VAL 362          1HG2      VAL 362   1.652  -6.720   0.645
  681   2HG2  VAL 362          2HG2      VAL 362   0.989  -5.934   2.077
  682   3HG2  VAL 362          3HG2      VAL 362   0.477  -7.565   1.652
  683    H    ALA 363           H        ALA 363   2.417 -10.303   3.916
  684    HA   ALA 363           HA       ALA 363   4.880 -10.114   5.293
  685   1HB   ALA 363          1HB       ALA 363   2.784 -10.718   6.407
  686   2HB   ALA 363          2HB       ALA 363   4.032 -11.933   6.680
  687   3HB   ALA 363          3HB       ALA 363   2.746 -12.237   5.512
  688    H    ARG 364           H        ARG 364   3.595 -12.363   2.922
  689    HA   ARG 364           HA       ARG 364   5.612 -14.327   3.136
  690   1HB   ARG 364          1HB       ARG 364   3.467 -14.740   2.017
  691   2HB   ARG 364          2HB       ARG 364   3.898 -13.595   0.755
  692   1HG   ARG 364          1HG       ARG 364   5.764 -15.025   0.090
  693   2HG   ARG 364          2HG       ARG 364   5.331 -16.173   1.359
  694   1HD   ARG 364          1HD       ARG 364   3.602 -15.376  -0.980
  695   2HD   ARG 364          2HD       ARG 364   4.481 -16.896  -0.812
  696    HE   ARG 364           HE       ARG 364   2.758 -16.501   1.397
  697   1HH1  ARG 364          1HH1      ARG 364   2.720 -17.344  -1.985
  698   2HH1  ARG 364          2HH1      ARG 364   1.270 -18.283  -1.866
  699   1HH2  ARG 364          1HH2      ARG 364   0.849 -17.732   1.562
  700   2HH2  ARG 364          2HH2      ARG 364   0.206 -18.503   0.151
  701    H    LEU 365           H        LEU 365   5.225 -11.607   0.862
  702    HA   LEU 365           HA       LEU 365   7.564 -12.004  -0.595
  703   1HB   LEU 365          1HB       LEU 365   5.941  -9.559   0.021
  704   2HB   LEU 365          2HB       LEU 365   7.420  -9.438  -0.911
  705    HG   LEU 365           HG       LEU 365   6.388 -11.187  -2.467
  706   1HD1  LEU 365          1HD1      LEU 365   3.909 -11.174  -2.491
  707   2HD1  LEU 365          2HD1      LEU 365   3.939 -10.358  -0.928
  708   3HD1  LEU 365          3HD1      LEU 365   4.603 -11.984  -1.088
  709   1HD2  LEU 365          1HD2      LEU 365   6.660  -8.842  -3.069
  710   2HD2  LEU 365          2HD2      LEU 365   5.139  -8.450  -2.267
  711   3HD2  LEU 365          3HD2      LEU 365   5.142  -9.481  -3.698
  712    H    PHE 366           H        PHE 366   7.044 -10.143   2.379
  713    HA   PHE 366           HA       PHE 366   9.951  -9.758   2.586
  714   1HB   PHE 366          1HB       PHE 366   7.784  -8.381   4.183
  715   2HB   PHE 366          2HB       PHE 366   9.494  -7.967   4.143
  716    HD1  PHE 366           HD1      PHE 366  10.420  -7.402   1.732
  717    HD2  PHE 366           HD2      PHE 366   6.335  -7.161   2.898
  718    HE1  PHE 366           HE1      PHE 366   9.992  -5.822  -0.105
  719    HE2  PHE 366           HE2      PHE 366   5.899  -5.582   1.063
  720    HZ   PHE 366           HZ       PHE 366   7.730  -4.910  -0.441
  721    H    LYS 367           H        LYS 367  10.651 -11.658   3.479
  722    HA   LYS 367           HA       LYS 367   9.411 -12.497   6.011
  723   1HB   LYS 367          1HB       LYS 367   9.583 -14.165   4.124
  724   2HB   LYS 367          2HB       LYS 367  11.331 -14.085   4.300
  725   1HG   LYS 367          1HG       LYS 367  11.088 -14.841   6.643
  726   2HG   LYS 367          2HG       LYS 367   9.354 -15.014   6.372
  727   1HD   LYS 367          1HD       LYS 367  10.316 -17.170   6.103
  728   2HD   LYS 367          2HD       LYS 367   9.910 -16.586   4.490
  729   1HE   LYS 367          1HE       LYS 367  12.240 -15.911   4.155
  730   2HE   LYS 367          2HE       LYS 367  12.643 -16.502   5.766
  731   1HZ   LYS 367          1HZ       LYS 367  13.235 -18.130   4.117
  732   2HZ   LYS 367          2HZ       LYS 367  11.664 -18.139   3.490
  733   3HZ   LYS 367          3HZ       LYS 367  11.955 -18.728   5.049
  734    H    ASN 368           H        ASN 368  12.166 -11.026   4.667
  735    HA   ASN 368           HA       ASN 368  13.808 -11.632   7.020
  736   1HB   ASN 368          1HB       ASN 368  14.856 -11.977   4.819
  737   2HB   ASN 368          2HB       ASN 368  14.568 -10.288   4.418
  738   1HD2  ASN 368          1HD2      ASN 368  15.535 -11.431   7.580
  739   2HD2  ASN 368          2HD2      ASN 368  17.111 -10.723   7.564
  740    H    GLN 369           H        GLN 369  12.145  -9.046   5.376
  741    HA   GLN 369           HA       GLN 369  13.096  -7.158   7.427
  742   1HB   GLN 369          1HB       GLN 369  12.021  -6.601   4.656
  743   2HB   GLN 369          2HB       GLN 369  12.452  -5.367   5.831
  744   1HG   GLN 369          1HG       GLN 369  14.349  -7.398   4.677
  745   2HG   GLN 369          2HG       GLN 369  14.192  -5.727   4.137
  746   1HE2  GLN 369          1HE2      GLN 369  16.499  -7.128   5.246
  747   2HE2  GLN 369          2HE2      GLN 369  16.980  -6.230   6.641
  748    H    GLU 370           H        GLU 370  11.544  -7.809   8.956
  749    HA   GLU 370           HA       GLU 370   8.733  -7.726   8.356
  750   1HB   GLU 370          1HB       GLU 370  10.177  -7.855  11.015
  751   2HB   GLU 370          2HB       GLU 370   8.449  -8.089  10.784
  752   1HG   GLU 370          1HG       GLU 370  10.573  -9.813   9.533
  753   2HG   GLU 370          2HG       GLU 370   9.741 -10.190  11.040
  754    H    ASP 371           H        ASP 371  11.113  -5.445   9.321
  755    HA   ASP 371           HA       ASP 371   9.626  -3.590  10.763
  756   1HB   ASP 371          1HB       ASP 371  11.815  -3.003   8.758
  757   2HB   ASP 371          2HB       ASP 371  11.275  -1.932  10.048
  758    H    LEU 372           H        LEU 372  10.071  -3.868   7.254
  759    HA   LEU 372           HA       LEU 372   8.574  -1.633   6.497
  760   1HB   LEU 372          1HB       LEU 372   9.363  -4.183   5.161
  761   2HB   LEU 372          2HB       LEU 372   8.167  -3.166   4.382
  762    HG   LEU 372           HG       LEU 372   9.759  -1.312   4.308
  763   1HD1  LEU 372          1HD1      LEU 372  12.118  -1.699   4.896
  764   2HD1  LEU 372          2HD1      LEU 372  11.670  -3.258   5.588
  765   3HD1  LEU 372          3HD1      LEU 372  11.049  -1.767   6.298
  766   1HD2  LEU 372          1HD2      LEU 372  10.856  -3.894   3.205
  767   2HD2  LEU 372          2HD2      LEU 372  11.317  -2.275   2.680
  768   3HD2  LEU 372          3HD2      LEU 372   9.669  -2.847   2.429
  769    H    LEU 373           H        LEU 373   7.589  -5.001   7.009
  770    HA   LEU 373           HA       LEU 373   4.926  -4.752   6.194
  771   1HB   LEU 373          1HB       LEU 373   6.191  -6.884   6.707
  772   2HB   LEU 373          2HB       LEU 373   5.910  -6.550   8.404
  773    HG   LEU 373           HG       LEU 373   3.512  -6.736   8.095
  774   1HD1  LEU 373          1HD1      LEU 373   4.155  -7.234   5.194
  775   2HD1  LEU 373          2HD1      LEU 373   3.307  -5.838   5.857
  776   3HD1  LEU 373          3HD1      LEU 373   2.569  -7.436   5.938
  777   1HD2  LEU 373          1HD2      LEU 373   3.376  -9.111   7.485
  778   2HD2  LEU 373          2HD2      LEU 373   4.726  -8.777   8.570
  779   3HD2  LEU 373          3HD2      LEU 373   5.019  -9.028   6.850
  780    H    SER 374           H        SER 374   6.422  -4.239   9.361
  781    HA   SER 374           HA       SER 374   4.072  -3.793  10.824
  782   1HB   SER 374          1HB       SER 374   6.245  -4.158  11.902
  783   2HB   SER 374          2HB       SER 374   6.834  -2.625  11.258
  784    HG   SER 374           HG       SER 374   6.139  -2.315  13.367
  785    H    GLU 375           H        GLU 375   6.250  -1.489   9.212
  786    HA   GLU 375           HA       GLU 375   4.891   0.856   9.841
  787   1HB   GLU 375          1HB       GLU 375   7.144   0.747   8.803
  788   2HB   GLU 375          2HB       GLU 375   6.401   0.251   7.289
  789   1HG   GLU 375          1HG       GLU 375   6.959   2.612   7.267
  790   2HG   GLU 375          2HG       GLU 375   5.215   2.370   7.158
  791    H    PHE 376           H        PHE 376   4.349  -1.485   7.273
  792    HA   PHE 376           HA       PHE 376   2.394   0.038   5.877
  793   1HB   PHE 376          1HB       PHE 376   3.607  -1.764   4.769
  794   2HB   PHE 376          2HB       PHE 376   2.935  -2.940   5.892
  795    HD1  PHE 376           HD1      PHE 376   0.866  -3.955   5.479
  796    HD2  PHE 376           HD2      PHE 376   2.044  -0.558   3.202
  797    HE1  PHE 376           HE1      PHE 376  -1.037  -4.317   3.960
  798    HE2  PHE 376           HE2      PHE 376   0.143  -0.913   1.682
  799    HZ   PHE 376           HZ       PHE 376  -1.399  -2.793   2.060
  800    H    GLY 377           H        GLY 377   2.300  -2.255   8.527
  801   1HA   GLY 377          1HA       GLY 377  -0.517  -2.663   8.507
  802   2HA   GLY 377          2HA       GLY 377   0.572  -3.027   9.836
  803    H    GLN 378           H        GLN 378   1.579  -0.308  10.061
  804    HA   GLN 378           HA       GLN 378  -0.197   0.706  11.952
  805   1HB   GLN 378          1HB       GLN 378   1.972   2.123  10.399
  806   2HB   GLN 378          2HB       GLN 378   1.142   2.812  11.788
  807   1HG   GLN 378          1HG       GLN 378   1.946   0.872  13.133
  808   2HG   GLN 378          2HG       GLN 378   2.909   0.379  11.741
  809   1HE2  GLN 378          1HE2      GLN 378   3.748   1.186  14.419
  810   2HE2  GLN 378          2HE2      GLN 378   4.821   2.523  14.200
  811    H    PHE 379           H        PHE 379  -0.043   1.201   8.503
  812    HA   PHE 379           HA       PHE 379  -1.666   3.521   8.373
  813   1HB   PHE 379          1HB       PHE 379  -1.077   1.368   6.339
  814   2HB   PHE 379          2HB       PHE 379  -2.026   2.807   5.980
  815    HD1  PHE 379           HD1      PHE 379   1.157   1.410   5.840
  816    HD2  PHE 379           HD2      PHE 379  -0.833   5.073   6.700
  817    HE1  PHE 379           HE1      PHE 379   3.228   2.645   5.358
  818    HE2  PHE 379           HE2      PHE 379   1.235   6.315   6.216
  819    HZ   PHE 379           HZ       PHE 379   3.270   5.101   5.544
  820    H    LEU 380           H        LEU 380  -2.413   0.066   7.992
  821    HA   LEU 380           HA       LEU 380  -5.151   0.340   7.503
  822   1HB   LEU 380          1HB       LEU 380  -3.705  -1.916   8.898
  823   2HB   LEU 380          2HB       LEU 380  -5.330  -2.004   8.247
  824    HG   LEU 380           HG       LEU 380  -2.864  -1.499   6.585
  825   1HD1  LEU 380          1HD1      LEU 380  -3.152  -3.811   5.818
  826   2HD1  LEU 380          2HD1      LEU 380  -4.440  -4.035   7.002
  827   3HD1  LEU 380          3HD1      LEU 380  -2.788  -3.728   7.542
  828   1HD2  LEU 380          1HD2      LEU 380  -5.710  -2.138   5.819
  829   2HD2  LEU 380          2HD2      LEU 380  -4.354  -1.988   4.703
  830   3HD2  LEU 380          3HD2      LEU 380  -4.903  -0.583   5.616
  831    HA   PRO 381           HA       PRO 381  -6.900   1.636  11.353
  832   1HB   PRO 381          1HB       PRO 381  -9.132  -0.234  10.825
  833   2HB   PRO 381          2HB       PRO 381  -9.160   1.520  11.041
  834   1HG   PRO 381          1HG       PRO 381  -9.526   0.422   8.633
  835   2HG   PRO 381          2HG       PRO 381  -8.617   1.933   8.828
  836   1HD   PRO 381          1HD       PRO 381  -7.598  -0.850   8.397
  837   2HD   PRO 381          2HD       PRO 381  -7.031   0.677   7.693
  838    H    ASP 382           H        ASP 382  -8.373   0.419  13.181
  839    HA   ASP 382           HA       ASP 382  -6.558  -1.333  14.476
  840   1HB   ASP 382          1HB       ASP 382  -8.409  -1.543  16.179
  841   2HB   ASP 382          2HB       ASP 382  -7.885   0.105  15.843
  842    H    ALA 383           H        ALA 383  -6.258  -3.139  13.207
  843    HA   ALA 383           HA       ALA 383  -8.308  -4.728  12.117
  844   1HB   ALA 383          1HB       ALA 383  -5.984  -4.837  11.355
  845   2HB   ALA 383          2HB       ALA 383  -6.592  -6.429  11.810
  846   3HB   ALA 383          3HB       ALA 383  -5.513  -5.553  12.896
  Start of MODEL   16
    1   1H    ARG   6          1H        ARG   6  -8.127   9.255  -0.551
    2   2H    ARG   6          2H        ARG   6  -8.555  10.210   0.776
    3   3H    ARG   6          3H        ARG   6  -9.751   9.390  -0.095
    4    HA   ARG   6           HA       ARG   6  -9.280   8.292   2.001
    5   1HB   ARG   6          1HB       ARG   6  -9.964   7.037  -0.073
    6   2HB   ARG   6          2HB       ARG   6  -8.266   6.674  -0.344
    7   1HG   ARG   6          1HG       ARG   6  -8.156   5.427   1.713
    8   2HG   ARG   6          2HG       ARG   6  -9.813   5.882   2.113
    9   1HD   ARG   6          1HD       ARG   6  -8.937   4.206  -0.236
   10   2HD   ARG   6          2HD       ARG   6  -9.733   3.619   1.224
   11    HE   ARG   6           HE       ARG   6 -11.301   5.620  -0.017
   12   1HH1  ARG   6          1HH1      ARG   6 -10.341   2.287  -0.365
   13   2HH1  ARG   6          2HH1      ARG   6 -11.773   1.831  -1.224
   14   1HH2  ARG   6          1HH2      ARG   6 -13.189   5.026  -1.147
   15   2HH2  ARG   6          2HH2      ARG   6 -13.392   3.387  -1.668
   16    H    MET   7           H        MET   7  -7.759   6.836   3.145
   17    HA   MET   7           HA       MET   7  -4.952   7.610   2.690
   18   1HB   MET   7          1HB       MET   7  -4.653   7.619   5.153
   19   2HB   MET   7          2HB       MET   7  -5.775   8.851   4.593
   20   1HG   MET   7          1HG       MET   7  -7.657   7.520   5.289
   21   2HG   MET   7          2HG       MET   7  -6.590   6.190   5.737
   22   1HE   MET   7          1HE       MET   7  -5.006   6.180   7.798
   23   2HE   MET   7          2HE       MET   7  -4.732   7.566   8.854
   24   3HE   MET   7          3HE       MET   7  -4.171   7.605   7.181
   25    H    ASN   8           H        ASN   8  -3.972   6.073   4.890
   26    HA   ASN   8           HA       ASN   8  -3.194   4.007   5.399
   27   1HB   ASN   8          1HB       ASN   8  -5.492   3.430   5.929
   28   2HB   ASN   8          2HB       ASN   8  -5.838   3.116   4.232
   29   1HD2  ASN   8          1HD2      ASN   8  -2.876   2.199   5.850
   30   2HD2  ASN   8          2HD2      ASN   8  -3.139   0.494   5.774
   31    H    ILE   9           H        ILE   9  -4.972   2.871   2.570
   32    HA   ILE   9           HA       ILE   9  -2.462   1.952   1.413
   33    HB   ILE   9           HB       ILE   9  -5.300   1.461   0.503
   34   1HG1  ILE   9          1HG1      ILE   9  -4.823   0.497   2.718
   35   2HG1  ILE   9          2HG1      ILE   9  -5.029  -0.759   1.502
   36   1HG2  ILE   9          1HG2      ILE   9  -2.704   0.188  -0.359
   37   2HG2  ILE   9          2HG2      ILE   9  -3.730   1.246  -1.329
   38   3HG2  ILE   9          3HG2      ILE   9  -4.312  -0.347  -0.846
   39   1HD1  ILE   9          1HD1      ILE   9  -2.604  -1.016   1.364
   40   2HD1  ILE   9          2HD1      ILE   9  -3.199  -1.282   3.002
   41   3HD1  ILE   9          3HD1      ILE   9  -2.405   0.238   2.589
   42    H    GLN  10           H        GLN  10  -5.172   4.077   0.626
   43    HA   GLN  10           HA       GLN  10  -4.391   4.734  -1.990
   44   1HB   GLN  10          1HB       GLN  10  -6.619   5.235  -1.198
   45   2HB   GLN  10          2HB       GLN  10  -5.983   6.305   0.044
   46   1HG   GLN  10          1HG       GLN  10  -6.926   7.547  -1.826
   47   2HG   GLN  10          2HG       GLN  10  -5.198   7.850  -1.650
   48   1HE2  GLN  10          1HE2      GLN  10  -4.989   8.514  -3.776
   49   2HE2  GLN  10          2HE2      GLN  10  -5.051   7.410  -5.103
   50    H    MET  11           H        MET  11  -3.176   5.721   1.082
   51    HA   MET  11           HA       MET  11  -2.003   8.181   0.328
   52   1HB   MET  11          1HB       MET  11  -2.387   7.478   2.675
   53   2HB   MET  11          2HB       MET  11  -1.133   6.259   2.495
   54   1HG   MET  11          1HG       MET  11  -0.299   8.216   3.657
   55   2HG   MET  11          2HG       MET  11   0.523   7.993   2.113
   56   1HE   MET  11          1HE       MET  11  -3.084   9.431   2.764
   57   2HE   MET  11          2HE       MET  11  -2.756  11.162   2.841
   58   3HE   MET  11          3HE       MET  11  -2.145  10.092   4.103
   59    H    LEU  12           H        LEU  12  -0.552   4.946   0.744
   60    HA   LEU  12           HA       LEU  12   1.972   5.656  -0.299
   61   1HB   LEU  12          1HB       LEU  12   0.697   2.919  -0.272
   62   2HB   LEU  12          2HB       LEU  12   2.408   3.272  -0.412
   63    HG   LEU  12           HG       LEU  12   0.722   3.886   2.018
   64   1HD1  LEU  12          1HD1      LEU  12   0.959   1.484   1.688
   65   2HD1  LEU  12          2HD1      LEU  12   1.916   2.026   3.066
   66   3HD1  LEU  12          3HD1      LEU  12   2.706   1.667   1.530
   67   1HD2  LEU  12          1HD2      LEU  12   2.880   4.289   3.104
   68   2HD2  LEU  12          2HD2      LEU  12   2.614   5.398   1.760
   69   3HD2  LEU  12          3HD2      LEU  12   3.703   4.025   1.566
   70    H    LEU  13           H        LEU  13  -0.953   4.368  -1.788
   71    HA   LEU  13           HA       LEU  13   0.116   3.778  -4.319
   72   1HB   LEU  13          1HB       LEU  13  -2.641   4.435  -3.338
   73   2HB   LEU  13          2HB       LEU  13  -2.335   4.219  -5.050
   74    HG   LEU  13           HG       LEU  13  -1.755   2.130  -2.949
   75   1HD1  LEU  13          1HD1      LEU  13  -4.146   2.535  -3.095
   76   2HD1  LEU  13          2HD1      LEU  13  -3.734   0.981  -3.820
   77   3HD1  LEU  13          3HD1      LEU  13  -4.082   2.370  -4.850
   78   1HD2  LEU  13          1HD2      LEU  13  -1.775   2.025  -5.963
   79   2HD2  LEU  13          2HD2      LEU  13  -1.584   0.633  -4.898
   80   3HD2  LEU  13          3HD2      LEU  13  -0.361   1.903  -4.917
   81    H    GLU  14           H        GLU  14  -1.369   6.723  -3.031
   82    HA   GLU  14           HA       GLU  14  -1.291   8.211  -5.422
   83   1HB   GLU  14          1HB       GLU  14  -2.672   8.856  -3.500
   84   2HB   GLU  14          2HB       GLU  14  -1.223   9.172  -2.556
   85   1HG   GLU  14          1HG       GLU  14  -2.200  11.234  -3.372
   86   2HG   GLU  14          2HG       GLU  14  -0.607  10.969  -4.077
   87    H    ALA  15           H        ALA  15   0.988   7.890  -2.735
   88    HA   ALA  15           HA       ALA  15   2.851   9.800  -3.675
   89   1HB   ALA  15          1HB       ALA  15   3.310   7.422  -1.876
   90   2HB   ALA  15          2HB       ALA  15   2.824   9.036  -1.356
   91   3HB   ALA  15          3HB       ALA  15   4.409   8.784  -2.089
   92    H    ALA  16           H        ALA  16   2.270   6.455  -4.421
   93    HA   ALA  16           HA       ALA  16   4.781   5.960  -5.695
   94   1HB   ALA  16          1HB       ALA  16   3.595   4.077  -4.863
   95   2HB   ALA  16          2HB       ALA  16   3.581   3.952  -6.623
   96   3HB   ALA  16          3HB       ALA  16   2.143   4.510  -5.767
   97    H    ASP  17           H        ASP  17   1.562   6.931  -6.790
   98    HA   ASP  17           HA       ASP  17   2.284   6.900  -9.569
   99   1HB   ASP  17          1HB       ASP  17  -0.037   6.517  -8.851
  100   2HB   ASP  17          2HB       ASP  17  -0.103   8.146  -8.184
  101    H    TYR  18           H        TYR  18   2.530   9.124  -6.967
  102    HA   TYR  18           HA       TYR  18   2.762  11.482  -8.620
  103   1HB   TYR  18          1HB       TYR  18   1.838  11.804  -6.433
  104   2HB   TYR  18          2HB       TYR  18   3.185  10.968  -5.671
  105    HD1  TYR  18           HD1      TYR  18   5.371  12.086  -5.430
  106    HD2  TYR  18           HD2      TYR  18   2.012  14.115  -7.087
  107    HE1  TYR  18           HE1      TYR  18   6.508  14.240  -5.095
  108    HE2  TYR  18           HE2      TYR  18   3.146  16.271  -6.760
  109    HH   TYR  18           HH       TYR  18   4.918  17.224  -5.344
  110    H    LEU  19           H        LEU  19   4.879   9.192  -7.020
  111    HA   LEU  19           HA       LEU  19   7.256  10.715  -7.548
  112   1HB   LEU  19          1HB       LEU  19   7.182   9.451  -5.534
  113   2HB   LEU  19          2HB       LEU  19   6.704   7.995  -6.389
  114    HG   LEU  19           HG       LEU  19   8.932   8.069  -7.531
  115   1HD1  LEU  19          1HD1      LEU  19  10.690   9.319  -6.173
  116   2HD1  LEU  19          2HD1      LEU  19   9.343  10.235  -5.493
  117   3HD1  LEU  19          3HD1      LEU  19   9.657  10.283  -7.227
  118   1HD2  LEU  19          1HD2      LEU  19   8.822   7.717  -4.543
  119   2HD2  LEU  19          2HD2      LEU  19  10.122   7.125  -5.576
  120   3HD2  LEU  19          3HD2      LEU  19   8.487   6.492  -5.766
  121    H    GLU  20           H        GLU  20   5.513   8.021  -8.960
  122    HA   GLU  20           HA       GLU  20   7.620   7.208 -10.714
  123   1HB   GLU  20          1HB       GLU  20   5.841   5.658 -10.041
  124   2HB   GLU  20          2HB       GLU  20   4.647   6.666 -10.845
  125   1HG   GLU  20          1HG       GLU  20   5.138   4.778 -12.230
  126   2HG   GLU  20          2HG       GLU  20   5.778   6.231 -12.997
  127    H    ARG  21           H        ARG  21   4.949   9.459 -10.885
  128    HA   ARG  21           HA       ARG  21   4.316  11.004 -12.426
  129   1HB   ARG  21          1HB       ARG  21   6.608  11.812 -12.060
  130   2HB   ARG  21          2HB       ARG  21   7.193  10.736 -13.323
  131   1HG   ARG  21          1HG       ARG  21   5.841  11.944 -14.970
  132   2HG   ARG  21          2HG       ARG  21   5.285  13.036 -13.700
  133   1HD   ARG  21          1HD       ARG  21   8.139  12.656 -14.596
  134   2HD   ARG  21          2HD       ARG  21   7.105  14.028 -14.988
  135    HE   ARG  21           HE       ARG  21   7.118  13.955 -12.263
  136   1HH1  ARG  21          1HH1      ARG  21   9.584  14.094 -14.721
  137   2HH1  ARG  21          2HH1      ARG  21  10.699  14.979 -13.734
  138   1HH2  ARG  21          1HH2      ARG  21   8.583  15.120 -10.956
  139   2HH2  ARG  21          2HH2      ARG  21  10.132  15.559 -11.595
  140   1H    SER 295          1H        SER 295  -7.539  18.876  -1.307
  141   2H    SER 295          2H        SER 295  -8.845  19.591  -0.506
  142   3H    SER 295          3H        SER 295  -8.777  19.612  -2.196
  143    HA   SER 295           HA       SER 295 -10.357  17.970  -1.383
  144   1HB   SER 295          1HB       SER 295  -7.899  16.757  -2.677
  145   2HB   SER 295          2HB       SER 295  -9.529  16.086  -2.715
  146    HG   SER 295           HG       SER 295  -8.577  18.456  -3.930
  147    H    LEU 296           H        LEU 296  -7.035  17.421  -0.307
  148    HA   LEU 296           HA       LEU 296  -8.099  15.766   1.880
  149   1HB   LEU 296          1HB       LEU 296  -7.044  14.311   0.213
  150   2HB   LEU 296          2HB       LEU 296  -5.569  15.253   0.313
  151    HG   LEU 296           HG       LEU 296  -5.416  14.588   2.739
  152   1HD1  LEU 296          1HD1      LEU 296  -7.568  12.635   1.938
  153   2HD1  LEU 296          2HD1      LEU 296  -7.766  13.985   3.054
  154   3HD1  LEU 296          3HD1      LEU 296  -6.691  12.650   3.468
  155   1HD2  LEU 296          1HD2      LEU 296  -5.367  12.374   0.690
  156   2HD2  LEU 296          2HD2      LEU 296  -4.541  12.362   2.248
  157   3HD2  LEU 296          3HD2      LEU 296  -4.067  13.523   1.008
  158    H    GLN 297           H        GLN 297  -7.959  17.300   3.458
  159    HA   GLN 297           HA       GLN 297  -7.034  18.643   5.042
  160   1HB   GLN 297          1HB       GLN 297  -4.503  17.172   4.283
  161   2HB   GLN 297          2HB       GLN 297  -4.716  18.152   5.728
  162   1HG   GLN 297          1HG       GLN 297  -6.426  16.632   6.535
  163   2HG   GLN 297          2HG       GLN 297  -6.285  15.669   5.065
  164   1HE2  GLN 297          1HE2      GLN 297  -5.892  14.901   7.849
  165   2HE2  GLN 297          2HE2      GLN 297  -4.282  14.283   7.955
  166    H    ASN 298           H        ASN 298  -4.862  20.115   5.370
  167    HA   ASN 298           HA       ASN 298  -4.611  21.651   2.866
  168   1HB   ASN 298          1HB       ASN 298  -4.540  22.716   5.697
  169   2HB   ASN 298          2HB       ASN 298  -4.412  23.673   4.224
  170   1HD2  ASN 298          1HD2      ASN 298  -6.521  21.853   6.289
  171   2HD2  ASN 298          2HD2      ASN 298  -8.006  22.399   5.596
  172    H    ASN 299           H        ASN 299  -2.615  22.641   2.411
  173    HA   ASN 299           HA       ASN 299  -0.351  22.742   2.247
  174   1HB   ASN 299          1HB       ASN 299  -0.496  22.196   5.220
  175   2HB   ASN 299          2HB       ASN 299   0.955  22.706   4.362
  176   1HD2  ASN 299          1HD2      ASN 299  -2.179  23.657   5.515
  177   2HD2  ASN 299          2HD2      ASN 299  -1.962  25.357   5.311
  178    H    GLN 300           H        GLN 300   1.754  21.413   2.958
  179    HA   GLN 300           HA       GLN 300   1.384  18.809   1.881
  180   1HB   GLN 300          1HB       GLN 300   3.764  20.161   3.151
  181   2HB   GLN 300          2HB       GLN 300   3.829  18.535   2.486
  182   1HG   GLN 300          1HG       GLN 300   4.689  20.057   0.865
  183   2HG   GLN 300          2HG       GLN 300   3.135  19.452   0.295
  184   1HE2  GLN 300          1HE2      GLN 300   1.388  20.841   0.170
  185   2HE2  GLN 300          2HE2      GLN 300   1.555  22.557   0.282
  186    HA   PRO 301           HA       PRO 301   0.249  17.032   5.888
  187   1HB   PRO 301          1HB       PRO 301   0.056  14.536   4.342
  188   2HB   PRO 301          2HB       PRO 301  -1.183  15.372   5.282
  189   1HG   PRO 301          1HG       PRO 301  -1.253  15.314   2.600
  190   2HG   PRO 301          2HG       PRO 301  -1.793  16.732   3.519
  191   1HD   PRO 301          1HD       PRO 301   0.801  16.280   2.084
  192   2HD   PRO 301          2HD       PRO 301  -0.221  17.733   2.134
  193    H    VAL 302           H        VAL 302   1.250  15.677   7.369
  194    HA   VAL 302           HA       VAL 302   4.022  15.182   6.959
  195    HB   VAL 302           HB       VAL 302   2.250  14.175   9.192
  196   1HG1  VAL 302          1HG1      VAL 302   4.348  12.977   9.087
  197   2HG1  VAL 302          2HG1      VAL 302   4.357  14.068  10.471
  198   3HG1  VAL 302          3HG1      VAL 302   5.244  14.493   9.008
  199   1HG2  VAL 302          1HG2      VAL 302   3.902  16.695   9.026
  200   2HG2  VAL 302          2HG2      VAL 302   3.020  16.129  10.444
  201   3HG2  VAL 302          3HG2      VAL 302   2.140  16.606   8.992
  202    H    GLU 303           H        GLU 303   1.172  13.082   7.237
  203    HA   GLU 303           HA       GLU 303   2.460  10.615   7.035
  204   1HB   GLU 303          1HB       GLU 303  -0.282  11.408   6.029
  205   2HB   GLU 303          2HB       GLU 303   0.279   9.753   6.232
  206   1HG   GLU 303          1HG       GLU 303   0.484  10.078   8.618
  207   2HG   GLU 303          2HG       GLU 303   0.025  11.772   8.450
  208    H    PHE 304           H        PHE 304   1.707  13.005   4.636
  209    HA   PHE 304           HA       PHE 304   1.965  11.377   2.332
  210   1HB   PHE 304          1HB       PHE 304   0.889  13.631   2.378
  211   2HB   PHE 304          2HB       PHE 304   2.482  14.349   2.588
  212    HD1  PHE 304           HD1      PHE 304   3.633  15.055   0.729
  213    HD2  PHE 304           HD2      PHE 304   0.638  12.065   0.292
  214    HE1  PHE 304           HE1      PHE 304   3.917  15.133  -1.714
  215    HE2  PHE 304           HE2      PHE 304   0.917  12.135  -2.151
  216    HZ   PHE 304           HZ       PHE 304   2.558  13.673  -3.157
  217    H    ASN 305           H        ASN 305   4.237  13.357   4.183
  218    HA   ASN 305           HA       ASN 305   6.459  12.996   2.479
  219   1HB   ASN 305          1HB       ASN 305   6.331  14.765   4.210
  220   2HB   ASN 305          2HB       ASN 305   6.437  13.529   5.459
  221   1HD2  ASN 305          1HD2      ASN 305   8.143  15.273   2.998
  222   2HD2  ASN 305          2HD2      ASN 305   9.734  14.790   3.468
  223    H    HIS 306           H        HIS 306   5.398  11.292   5.414
  224    HA   HIS 306           HA       HIS 306   7.526   9.431   5.460
  225   1HB   HIS 306          1HB       HIS 306   4.745   9.348   6.633
  226   2HB   HIS 306          2HB       HIS 306   5.925   8.068   6.891
  227    HD1  HIS 306           HD1      HIS 306   8.151   8.808   8.184
  228    HD2  HIS 306           HD2      HIS 306   4.995  11.507   8.289
  229    HE1  HIS 306           HE1      HIS 306   8.688  10.397  10.056
  230    HE2  HIS 306           HE2      HIS 306   6.787  12.051  10.072
  231    H    ALA 307           H        ALA 307   4.517   9.569   3.725
  232    HA   ALA 307           HA       ALA 307   4.329   6.855   2.970
  233   1HB   ALA 307          1HB       ALA 307   2.456   8.423   2.779
  234   2HB   ALA 307          2HB       ALA 307   2.798   7.635   1.238
  235   3HB   ALA 307          3HB       ALA 307   3.318   9.298   1.514
  236    H    ILE 308           H        ILE 308   5.609   9.686   1.217
  237    HA   ILE 308           HA       ILE 308   6.548   8.284  -1.020
  238    HB   ILE 308           HB       ILE 308   7.665  10.834   0.159
  239   1HG1  ILE 308          1HG1      ILE 308   5.577  10.451  -2.000
  240   2HG1  ILE 308          2HG1      ILE 308   5.223  10.895  -0.335
  241   1HG2  ILE 308          1HG2      ILE 308   8.471  11.275  -2.120
  242   2HG2  ILE 308          2HG2      ILE 308   7.890   9.687  -2.624
  243   3HG2  ILE 308          3HG2      ILE 308   9.191   9.815  -1.440
  244   1HD1  ILE 308          1HD1      ILE 308   6.860  12.517  -2.270
  245   2HD1  ILE 308          2HD1      ILE 308   6.460  12.968  -0.613
  246   3HD1  ILE 308          3HD1      ILE 308   5.183  12.824  -1.821
  247    H    ASN 309           H        ASN 309   8.141   9.133   2.028
  248    HA   ASN 309           HA       ASN 309  10.713   8.234   1.411
  249   1HB   ASN 309          1HB       ASN 309  10.249   9.562   3.402
  250   2HB   ASN 309          2HB       ASN 309   9.284   8.254   4.079
  251   1HD2  ASN 309          1HD2      ASN 309  12.491   9.360   3.322
  252   2HD2  ASN 309          2HD2      ASN 309  13.336   8.203   4.287
  253    H    TYR 310           H        TYR 310   7.948   6.489   2.790
  254    HA   TYR 310           HA       TYR 310   9.257   4.049   3.251
  255   1HB   TYR 310          1HB       TYR 310   7.043   4.636   4.188
  256   2HB   TYR 310          2HB       TYR 310   6.341   4.503   2.578
  257    HD1  TYR 310           HD1      TYR 310   8.215   2.519   5.119
  258    HD2  TYR 310           HD2      TYR 310   5.483   2.468   1.860
  259    HE1  TYR 310           HE1      TYR 310   7.820   0.120   5.494
  260    HE2  TYR 310           HE2      TYR 310   5.082   0.072   2.225
  261    HH   TYR 310           HH       TYR 310   6.189  -1.848   3.247
  262    H    VAL 311           H        VAL 311   7.287   5.100   0.470
  263    HA   VAL 311           HA       VAL 311   7.514   2.786  -1.063
  264    HB   VAL 311           HB       VAL 311   7.361   5.631  -2.080
  265   1HG1  VAL 311          1HG1      VAL 311   6.701   3.008  -3.415
  266   2HG1  VAL 311          2HG1      VAL 311   8.004   4.115  -3.848
  267   3HG1  VAL 311          3HG1      VAL 311   6.323   4.600  -4.072
  268   1HG2  VAL 311          1HG2      VAL 311   4.949   5.276  -2.156
  269   2HG2  VAL 311          2HG2      VAL 311   5.560   5.094  -0.512
  270   3HG2  VAL 311          3HG2      VAL 311   5.156   3.667  -1.464
  271    H    ASN 312           H        ASN 312   9.684   5.551  -0.768
  272    HA   ASN 312           HA       ASN 312  11.462   4.752  -2.839
  273   1HB   ASN 312          1HB       ASN 312  11.821   6.618  -0.488
  274   2HB   ASN 312          2HB       ASN 312  13.036   6.384  -1.741
  275   1HD2  ASN 312          1HD2      ASN 312  12.944   8.509  -2.410
  276   2HD2  ASN 312          2HD2      ASN 312  11.599   9.153  -3.281
  277    H    LYS 313           H        LYS 313  11.167   4.039   0.560
  278    HA   LYS 313           HA       LYS 313  13.735   2.971   0.999
  279   1HB   LYS 313          1HB       LYS 313  12.096   3.575   2.786
  280   2HB   LYS 313          2HB       LYS 313  11.153   2.158   2.344
  281   1HG   LYS 313          1HG       LYS 313  13.106   0.742   2.890
  282   2HG   LYS 313          2HG       LYS 313  13.952   2.187   3.446
  283   1HD   LYS 313          1HD       LYS 313  12.129   2.574   5.076
  284   2HD   LYS 313          2HD       LYS 313  11.390   1.055   4.564
  285   1HE   LYS 313          1HE       LYS 313  12.672   0.710   6.587
  286   2HE   LYS 313          2HE       LYS 313  13.426  -0.142   5.241
  287   1HZ   LYS 313          1HZ       LYS 313  14.291   2.483   6.331
  288   2HZ   LYS 313          2HZ       LYS 313  15.015   1.672   5.035
  289   3HZ   LYS 313          3HZ       LYS 313  15.068   1.001   6.587
  290    H    ILE 314           H        ILE 314  10.652   1.380   0.192
  291    HA   ILE 314           HA       ILE 314  11.724  -1.221  -0.014
  292    HB   ILE 314           HB       ILE 314   9.268  -0.096  -1.368
  293   1HG1  ILE 314          1HG1      ILE 314   9.565  -1.596   1.246
  294   2HG1  ILE 314          2HG1      ILE 314   9.218   0.123   1.091
  295   1HG2  ILE 314          1HG2      ILE 314   8.531  -2.425  -1.526
  296   2HG2  ILE 314          2HG2      ILE 314  10.063  -2.957  -0.833
  297   3HG2  ILE 314          3HG2      ILE 314  10.035  -2.167  -2.409
  298   1HD1  ILE 314          1HD1      ILE 314   7.445  -2.112   0.134
  299   2HD1  ILE 314          2HD1      ILE 314   7.095  -0.386   0.031
  300   3HD1  ILE 314          3HD1      ILE 314   7.220  -1.169   1.606
  301    H    LYS 315           H        LYS 315  11.181   1.325  -2.418
  302    HA   LYS 315           HA       LYS 315  11.877  -0.174  -4.692
  303   1HB   LYS 315          1HB       LYS 315  10.713   2.006  -4.769
  304   2HB   LYS 315          2HB       LYS 315  12.193   2.800  -4.249
  305   1HG   LYS 315          1HG       LYS 315  13.314   2.055  -6.287
  306   2HG   LYS 315          2HG       LYS 315  11.831   1.254  -6.809
  307   1HD   LYS 315          1HD       LYS 315  10.678   3.433  -6.792
  308   2HD   LYS 315          2HD       LYS 315  12.195   4.211  -6.335
  309   1HE   LYS 315          1HE       LYS 315  11.736   2.627  -8.862
  310   2HE   LYS 315          2HE       LYS 315  11.734   4.386  -8.748
  311   1HZ   LYS 315          1HZ       LYS 315  14.057   2.701  -7.995
  312   2HZ   LYS 315          2HZ       LYS 315  14.021   4.384  -8.167
  313   3HZ   LYS 315          3HZ       LYS 315  13.861   3.392  -9.528
  314    H    ASN 316           H        ASN 316  13.832   1.526  -2.331
  315    HA   ASN 316           HA       ASN 316  16.252   1.322  -3.884
  316   1HB   ASN 316          1HB       ASN 316  15.944   3.192  -2.332
  317   2HB   ASN 316          2HB       ASN 316  15.839   2.068  -0.980
  318   1HD2  ASN 316          1HD2      ASN 316  18.043   1.618  -3.644
  319   2HD2  ASN 316          2HD2      ASN 316  19.490   1.935  -2.758
  320    H    ARG 317           H        ARG 317  14.850  -0.342  -1.093
  321    HA   ARG 317           HA       ARG 317  17.073  -2.009  -0.574
  322   1HB   ARG 317          1HB       ARG 317  14.146  -2.356   0.088
  323   2HB   ARG 317          2HB       ARG 317  15.424  -3.401   0.695
  324   1HG   ARG 317          1HG       ARG 317  15.286  -0.433   1.177
  325   2HG   ARG 317          2HG       ARG 317  14.691  -1.659   2.298
  326   1HD   ARG 317          1HD       ARG 317  16.927  -2.592   2.495
  327   2HD   ARG 317          2HD       ARG 317  17.535  -1.431   1.316
  328    HE   ARG 317           HE       ARG 317  16.392   0.066   3.326
  329   1HH1  ARG 317          1HH1      ARG 317  18.957  -2.282   3.073
  330   2HH1  ARG 317          2HH1      ARG 317  19.878  -1.605   4.375
  331   1HH2  ARG 317          1HH2      ARG 317  17.599   0.961   5.040
  332   2HH2  ARG 317          2HH2      ARG 317  19.104   0.233   5.496
  333    H    PHE 318           H        PHE 318  14.706  -2.048  -3.026
  334    HA   PHE 318           HA       PHE 318  15.644  -4.700  -3.881
  335   1HB   PHE 318          1HB       PHE 318  12.797  -3.682  -3.923
  336   2HB   PHE 318          2HB       PHE 318  13.336  -5.121  -4.783
  337    HD1  PHE 318           HD1      PHE 318  12.485  -3.691  -1.554
  338    HD2  PHE 318           HD2      PHE 318  14.035  -7.115  -3.552
  339    HE1  PHE 318           HE1      PHE 318  12.111  -5.036   0.472
  340    HE2  PHE 318           HE2      PHE 318  13.665  -8.467  -1.530
  341    HZ   PHE 318           HZ       PHE 318  12.701  -7.427   0.485
  342    H    GLN 319           H        GLN 319  16.527  -2.047  -4.638
  343    HA   GLN 319           HA       GLN 319  15.450  -1.144  -7.048
  344   1HB   GLN 319          1HB       GLN 319  17.169   0.014  -5.593
  345   2HB   GLN 319          2HB       GLN 319  18.377  -1.042  -6.310
  346   1HG   GLN 319          1HG       GLN 319  16.606   0.716  -7.976
  347   2HG   GLN 319          2HG       GLN 319  18.123   1.289  -7.285
  348   1HE2  GLN 319          1HE2      GLN 319  17.292   0.926 -10.080
  349   2HE2  GLN 319          2HE2      GLN 319  18.475  -0.114 -10.788
  350    H    GLY 320           H        GLY 320  17.751  -3.714  -6.375
  351   1HA   GLY 320          1HA       GLY 320  18.471  -4.153  -9.110
  352   2HA   GLY 320          2HA       GLY 320  18.796  -5.235  -7.763
  353    H    GLN 321           H        GLN 321  15.954  -5.352  -7.006
  354    HA   GLN 321           HA       GLN 321  15.017  -7.101  -9.183
  355   1HB   GLN 321          1HB       GLN 321  14.480  -7.318  -6.216
  356   2HB   GLN 321          2HB       GLN 321  13.824  -8.386  -7.449
  357   1HG   GLN 321          1HG       GLN 321  16.769  -8.033  -6.961
  358   2HG   GLN 321          2HG       GLN 321  15.790  -9.272  -6.177
  359   1HE2  GLN 321          1HE2      GLN 321  16.960 -10.935  -7.116
  360   2HE2  GLN 321          2HE2      GLN 321  16.817 -11.337  -8.790
  361    HA   PRO 322           HA       PRO 322  11.877  -3.772  -9.076
  362   1HB   PRO 322          1HB       PRO 322  11.035  -4.139 -11.627
  363   2HB   PRO 322          2HB       PRO 322  12.468  -3.187 -11.220
  364   1HG   PRO 322          1HG       PRO 322  12.284  -6.019 -12.173
  365   2HG   PRO 322          2HG       PRO 322  13.409  -4.742 -12.671
  366   1HD   PRO 322          1HD       PRO 322  14.098  -6.683 -10.917
  367   2HD   PRO 322          2HD       PRO 322  14.760  -5.039 -10.828
  368    H    ASP 323           H        ASP 323  11.698  -7.150  -9.795
  369    HA   ASP 323           HA       ASP 323   8.972  -7.504 -10.232
  370   1HB   ASP 323          1HB       ASP 323  10.891  -9.345  -8.786
  371   2HB   ASP 323          2HB       ASP 323   9.318  -9.813  -9.423
  372    H    ILE 324           H        ILE 324  10.778  -7.329  -7.191
  373    HA   ILE 324           HA       ILE 324   8.600  -7.905  -5.487
  374    HB   ILE 324           HB       ILE 324  11.048  -6.263  -4.835
  375   1HG1  ILE 324          1HG1      ILE 324  11.655  -8.447  -5.793
  376   2HG1  ILE 324          2HG1      ILE 324  12.058  -8.365  -4.083
  377   1HG2  ILE 324          1HG2      ILE 324   9.155  -7.812  -3.073
  378   2HG2  ILE 324          2HG2      ILE 324   9.308  -6.057  -3.164
  379   3HG2  ILE 324          3HG2      ILE 324  10.639  -7.027  -2.533
  380   1HD1  ILE 324          1HD1      ILE 324  10.078  -9.672  -3.545
  381   2HD1  ILE 324          2HD1      ILE 324  11.112 -10.523  -4.691
  382   3HD1  ILE 324          3HD1      ILE 324   9.641  -9.727  -5.253
  383    H    TYR 325           H        TYR 325   9.892  -4.881  -6.780
  384    HA   TYR 325           HA       TYR 325   8.332  -3.119  -5.239
  385   1HB   TYR 325          1HB       TYR 325  10.327  -2.474  -6.601
  386   2HB   TYR 325          2HB       TYR 325   9.352  -2.678  -8.052
  387    HD1  TYR 325           HD1      TYR 325   9.006  -0.930  -4.757
  388    HD2  TYR 325           HD2      TYR 325   8.596  -0.717  -8.987
  389    HE1  TYR 325           HE1      TYR 325   8.247   1.401  -4.559
  390    HE2  TYR 325           HE2      TYR 325   7.836   1.615  -8.801
  391    HH   TYR 325           HH       TYR 325   6.803   3.090  -7.120
  392    H    LYS 326           H        LYS 326   7.821  -4.342  -8.549
  393    HA   LYS 326           HA       LYS 326   5.294  -3.156  -8.907
  394   1HB   LYS 326          1HB       LYS 326   6.741  -5.422 -10.236
  395   2HB   LYS 326          2HB       LYS 326   5.059  -5.100 -10.636
  396   1HG   LYS 326          1HG       LYS 326   6.466  -4.015 -12.241
  397   2HG   LYS 326          2HG       LYS 326   5.688  -2.786 -11.244
  398   1HD   LYS 326          1HD       LYS 326   7.733  -2.598  -9.900
  399   2HD   LYS 326          2HD       LYS 326   8.507  -3.812 -10.920
  400   1HE   LYS 326          1HE       LYS 326   9.159  -1.536 -11.556
  401   2HE   LYS 326          2HE       LYS 326   8.292  -2.358 -12.852
  402   1HZ   LYS 326          1HZ       LYS 326   7.115  -0.383 -10.973
  403   2HZ   LYS 326          2HZ       LYS 326   6.288  -1.165 -12.222
  404   3HZ   LYS 326          3HZ       LYS 326   7.534  -0.081 -12.584
  405    H    ALA 327           H        ALA 327   6.324  -6.071  -7.323
  406    HA   ALA 327           HA       ALA 327   3.852  -7.426  -7.257
  407   1HB   ALA 327          1HB       ALA 327   4.815  -8.729  -5.436
  408   2HB   ALA 327          2HB       ALA 327   6.120  -7.554  -5.272
  409   3HB   ALA 327          3HB       ALA 327   5.983  -8.519  -6.742
  410    H    PHE 328           H        PHE 328   5.450  -5.497  -4.711
  411    HA   PHE 328           HA       PHE 328   3.352  -5.469  -2.895
  412   1HB   PHE 328          1HB       PHE 328   5.585  -4.689  -2.306
  413   2HB   PHE 328          2HB       PHE 328   5.434  -3.335  -3.420
  414    HD1  PHE 328           HD1      PHE 328   3.156  -4.725  -0.803
  415    HD2  PHE 328           HD2      PHE 328   5.359  -1.377  -2.239
  416    HE1  PHE 328           HE1      PHE 328   2.236  -3.347   1.012
  417    HE2  PHE 328           HE2      PHE 328   4.439   0.008  -0.426
  418    HZ   PHE 328           HZ       PHE 328   2.877  -0.977   1.203
  419    H    LEU 329           H        LEU 329   4.104  -3.157  -5.489
  420    HA   LEU 329           HA       LEU 329   1.964  -1.409  -5.045
  421   1HB   LEU 329          1HB       LEU 329   3.372  -2.125  -7.619
  422   2HB   LEU 329          2HB       LEU 329   2.243  -0.793  -7.452
  423    HG   LEU 329           HG       LEU 329   4.887  -1.057  -6.017
  424   1HD1  LEU 329          1HD1      LEU 329   3.999   0.735  -8.271
  425   2HD1  LEU 329          2HD1      LEU 329   5.182  -0.571  -8.364
  426   3HD1  LEU 329          3HD1      LEU 329   5.530   0.869  -7.406
  427   1HD2  LEU 329          1HD2      LEU 329   4.452   1.242  -5.264
  428   2HD2  LEU 329          2HD2      LEU 329   3.262   0.104  -4.635
  429   3HD2  LEU 329          3HD2      LEU 329   2.844   1.163  -5.983
  430    H    GLU 330           H        GLU 330   2.171  -4.444  -6.797
  431    HA   GLU 330           HA       GLU 330  -0.349  -4.311  -8.065
  432   1HB   GLU 330          1HB       GLU 330   1.424  -5.895  -8.732
  433   2HB   GLU 330          2HB       GLU 330   1.217  -6.757  -7.214
  434   1HG   GLU 330          1HG       GLU 330   0.097  -7.939  -8.978
  435   2HG   GLU 330          2HG       GLU 330  -1.094  -7.291  -7.853
  436    H    ILE 331           H        ILE 331   0.701  -5.382  -4.891
  437    HA   ILE 331           HA       ILE 331  -1.698  -6.637  -4.091
  438    HB   ILE 331           HB       ILE 331   0.312  -5.227  -2.326
  439   1HG1  ILE 331          1HG1      ILE 331   0.207  -8.145  -3.124
  440   2HG1  ILE 331          2HG1      ILE 331   1.313  -6.964  -3.818
  441   1HG2  ILE 331          1HG2      ILE 331  -1.793  -5.691  -1.199
  442   2HG2  ILE 331          2HG2      ILE 331  -0.514  -6.735  -0.577
  443   3HG2  ILE 331          3HG2      ILE 331  -1.708  -7.379  -1.704
  444   1HD1  ILE 331          1HD1      ILE 331   1.218  -7.822  -0.935
  445   2HD1  ILE 331          2HD1      ILE 331   2.313  -6.615  -1.611
  446   3HD1  ILE 331          3HD1      ILE 331   2.423  -8.297  -2.133
  447    H    LEU 332           H        LEU 332  -0.447  -3.358  -3.507
  448    HA   LEU 332           HA       LEU 332  -2.716  -2.408  -2.137
  449   1HB   LEU 332          1HB       LEU 332  -0.880  -0.703  -3.802
  450   2HB   LEU 332          2HB       LEU 332  -1.793  -0.233  -2.382
  451    HG   LEU 332           HG       LEU 332   0.677  -1.956  -2.496
  452   1HD1  LEU 332          1HD1      LEU 332   1.597  -0.235  -1.045
  453   2HD1  LEU 332          2HD1      LEU 332   0.063   0.631  -1.079
  454   3HD1  LEU 332          3HD1      LEU 332   1.014   0.463  -2.555
  455   1HD2  LEU 332          1HD2      LEU 332  -0.848  -2.988  -0.915
  456   2HD2  LEU 332          2HD2      LEU 332  -1.126  -1.431  -0.132
  457   3HD2  LEU 332          3HD2      LEU 332   0.466  -2.186  -0.058
  458    H    HIS 333           H        HIS 333  -1.869  -2.422  -5.567
  459    HA   HIS 333           HA       HIS 333  -3.948  -0.771  -6.480
  460   1HB   HIS 333          1HB       HIS 333  -2.146  -2.785  -7.717
  461   2HB   HIS 333          2HB       HIS 333  -3.602  -2.362  -8.610
  462    HD1  HIS 333           HD1      HIS 333  -3.883   0.332  -9.016
  463    HD2  HIS 333           HD2      HIS 333  -0.077  -1.069  -8.115
  464    HE1  HIS 333           HE1      HIS 333  -2.306   2.143  -9.761
  465    HE2  HIS 333           HE2      HIS 333  -0.006   1.242  -9.274
  466    H    THR 334           H        THR 334  -3.769  -4.320  -6.236
  467    HA   THR 334           HA       THR 334  -6.358  -4.849  -7.175
  468    HB   THR 334           HB       THR 334  -4.789  -6.478  -5.163
  469    HG1  THR 334           HG1      THR 334  -3.861  -5.913  -7.381
  470   1HG2  THR 334          1HG2      THR 334  -7.141  -7.133  -5.331
  471   2HG2  THR 334          2HG2      THR 334  -6.092  -8.364  -6.034
  472   3HG2  THR 334          3HG2      THR 334  -6.986  -7.264  -7.083
  473    H    TYR 335           H        TYR 335  -5.137  -4.037  -3.983
  474    HA   TYR 335           HA       TYR 335  -7.421  -4.619  -2.471
  475   1HB   TYR 335          1HB       TYR 335  -5.277  -4.123  -1.427
  476   2HB   TYR 335          2HB       TYR 335  -5.318  -2.482  -2.060
  477    HD1  TYR 335           HD1      TYR 335  -6.735  -4.782   0.427
  478    HD2  TYR 335           HD2      TYR 335  -6.674  -0.782  -1.019
  479    HE1  TYR 335           HE1      TYR 335  -7.883  -4.032   2.468
  480    HE2  TYR 335           HE2      TYR 335  -7.824  -0.022   1.017
  481    HH   TYR 335           HH       TYR 335  -9.307  -0.995   2.766
  482    H    GLN 336           H        GLN 336  -6.394  -1.550  -3.940
  483    HA   GLN 336           HA       GLN 336  -8.636  -0.038  -3.220
  484   1HB   GLN 336          1HB       GLN 336  -6.490   0.888  -4.069
  485   2HB   GLN 336          2HB       GLN 336  -6.896   0.293  -5.672
  486   1HG   GLN 336          1HG       GLN 336  -8.791   2.118  -4.273
  487   2HG   GLN 336          2HG       GLN 336  -7.334   2.779  -5.013
  488   1HE2  GLN 336          1HE2      GLN 336  -7.078   2.639  -7.260
  489   2HE2  GLN 336          2HE2      GLN 336  -8.424   2.372  -8.310
  490    H    LYS 337           H        LYS 337  -7.984  -2.004  -6.087
  491    HA   LYS 337           HA       LYS 337 -10.205  -1.322  -7.610
  492   1HB   LYS 337          1HB       LYS 337  -8.369  -2.646  -8.497
  493   2HB   LYS 337          2HB       LYS 337  -8.781  -3.980  -7.429
  494   1HG   LYS 337          1HG       LYS 337 -10.879  -4.303  -8.581
  495   2HG   LYS 337          2HG       LYS 337 -10.565  -2.897  -9.599
  496   1HD   LYS 337          1HD       LYS 337  -8.581  -4.021 -10.514
  497   2HD   LYS 337          2HD       LYS 337  -8.932  -5.434  -9.517
  498   1HE   LYS 337          1HE       LYS 337  -9.711  -5.712 -11.831
  499   2HE   LYS 337          2HE       LYS 337 -11.039  -5.758 -10.671
  500   1HZ   LYS 337          1HZ       LYS 337 -11.579  -4.418 -12.616
  501   2HZ   LYS 337          2HZ       LYS 337 -10.266  -3.398 -12.304
  502   3HZ   LYS 337          3HZ       LYS 337 -11.559  -3.469 -11.216
  503    H    GLU 338           H        GLU 338  -9.859  -4.020  -5.307
  504    HA   GLU 338           HA       GLU 338 -12.457  -5.010  -5.526
  505   1HB   GLU 338          1HB       GLU 338 -10.578  -5.042  -3.159
  506   2HB   GLU 338          2HB       GLU 338 -12.062  -5.980  -3.258
  507   1HG   GLU 338          1HG       GLU 338  -9.690  -6.223  -5.093
  508   2HG   GLU 338          2HG       GLU 338 -10.123  -7.336  -3.797
  509    H    GLN 339           H        GLN 339 -11.134  -2.536  -3.361
  510    HA   GLN 339           HA       GLN 339 -13.508  -2.110  -1.892
  511   1HB   GLN 339          1HB       GLN 339 -11.146  -0.297  -2.412
  512   2HB   GLN 339          2HB       GLN 339 -12.435   0.073  -1.274
  513   1HG   GLN 339          1HG       GLN 339 -10.581  -2.294  -1.129
  514   2HG   GLN 339          2HG       GLN 339 -10.477  -0.833  -0.148
  515   1HE2  GLN 339          1HE2      GLN 339 -12.255  -3.763  -0.754
  516   2HE2  GLN 339          2HE2      GLN 339 -13.161  -3.756   0.717
  517    H    ARG 340           H        ARG 340 -12.378  -0.926  -4.966
  518    HA   ARG 340           HA       ARG 340 -14.193   1.251  -5.198
  519   1HB   ARG 340          1HB       ARG 340 -12.133   1.096  -6.533
  520   2HB   ARG 340          2HB       ARG 340 -12.774  -0.317  -7.359
  521   1HG   ARG 340          1HG       ARG 340 -14.627   1.086  -8.218
  522   2HG   ARG 340          2HG       ARG 340 -13.850   2.491  -7.483
  523   1HD   ARG 340          1HD       ARG 340 -13.281   2.351  -9.837
  524   2HD   ARG 340          2HD       ARG 340 -11.849   2.075  -8.845
  525    HE   ARG 340           HE       ARG 340 -12.767  -0.425  -9.311
  526   1HH1  ARG 340          1HH1      ARG 340 -12.010   2.271 -11.384
  527   2HH1  ARG 340          2HH1      ARG 340 -11.573   1.277 -12.732
  528   1HH2  ARG 340          1HH2      ARG 340 -12.198  -1.741 -11.078
  529   2HH2  ARG 340          2HH2      ARG 340 -11.688  -1.007 -12.561
  530    H    ASN 341           H        ASN 341 -14.218  -2.075  -6.446
  531    HA   ASN 341           HA       ASN 341 -16.656  -1.924  -7.821
  532   1HB   ASN 341          1HB       ASN 341 -14.934  -3.762  -7.993
  533   2HB   ASN 341          2HB       ASN 341 -15.543  -4.384  -6.464
  534   1HD2  ASN 341          1HD2      ASN 341 -16.220  -3.888  -9.834
  535   2HD2  ASN 341          2HD2      ASN 341 -17.591  -4.935  -9.921
  536    H    ALA 342           H        ALA 342 -15.935  -3.099  -4.549
  537    HA   ALA 342           HA       ALA 342 -18.556  -3.734  -3.800
  538   1HB   ALA 342          1HB       ALA 342 -16.588  -4.477  -2.554
  539   2HB   ALA 342          2HB       ALA 342 -17.741  -3.658  -1.501
  540   3HB   ALA 342          3HB       ALA 342 -16.286  -2.819  -2.036
  541    H    LYS 343           H        LYS 343 -16.751  -0.704  -3.543
  542    HA   LYS 343           HA       LYS 343 -18.747   0.696  -2.085
  543   1HB   LYS 343          1HB       LYS 343 -16.399   1.406  -2.113
  544   2HB   LYS 343          2HB       LYS 343 -16.515   1.753  -3.832
  545   1HG   LYS 343          1HG       LYS 343 -16.651   3.811  -2.644
  546   2HG   LYS 343          2HG       LYS 343 -18.249   3.458  -3.305
  547   1HD   LYS 343          1HD       LYS 343 -18.990   2.638  -1.142
  548   2HD   LYS 343          2HD       LYS 343 -17.378   2.894  -0.470
  549   1HE   LYS 343          1HE       LYS 343 -17.589   5.297  -0.897
  550   2HE   LYS 343          2HE       LYS 343 -19.204   5.037  -1.555
  551   1HZ   LYS 343          1HZ       LYS 343 -19.914   4.215   0.602
  552   2HZ   LYS 343          2HZ       LYS 343 -19.290   5.781   0.741
  553   3HZ   LYS 343          3HZ       LYS 343 -18.362   4.455   1.233
  554    H    GLU 344           H        GLU 344 -18.234   0.028  -5.455
  555    HA   GLU 344           HA       GLU 344 -20.064   2.040  -6.401
  556   1HB   GLU 344          1HB       GLU 344 -18.143   1.220  -7.755
  557   2HB   GLU 344          2HB       GLU 344 -18.926  -0.351  -7.863
  558   1HG   GLU 344          1HG       GLU 344 -19.292   0.900  -9.888
  559   2HG   GLU 344          2HG       GLU 344 -20.817   0.682  -9.031
  560    H    ALA 345           H        ALA 345 -20.218  -1.286  -5.416
  561    HA   ALA 345           HA       ALA 345 -22.718  -1.888  -6.654
  562   1HB   ALA 345          1HB       ALA 345 -21.125  -3.640  -6.044
  563   2HB   ALA 345          2HB       ALA 345 -22.693  -3.901  -5.279
  564   3HB   ALA 345          3HB       ALA 345 -21.350  -3.254  -4.338
  565    H    GLY 346           H        GLY 346 -21.825  -0.082  -3.914
  566   1HA   GLY 346          1HA       GLY 346 -23.266   1.242  -2.634
  567   2HA   GLY 346          2HA       GLY 346 -24.625   0.306  -3.232
  568    H    GLY 347           H        GLY 347 -22.664  -2.059  -2.400
  569   1HA   GLY 347          1HA       GLY 347 -22.034  -2.628  -0.014
  570   2HA   GLY 347          2HA       GLY 347 -23.673  -2.130   0.374
  571    H    ASN 348           H        ASN 348 -23.374  -4.456   1.276
  572    HA   ASN 348           HA       ASN 348 -24.060  -6.622   1.246
  573   1HB   ASN 348          1HB       ASN 348 -26.128  -5.525   0.323
  574   2HB   ASN 348          2HB       ASN 348 -25.532  -5.891  -1.292
  575   1HD2  ASN 348          1HD2      ASN 348 -25.059  -8.024   1.428
  576   2HD2  ASN 348          2HD2      ASN 348 -26.130  -9.267   0.887
  577    H    TYR 349           H        TYR 349 -21.747  -5.570  -0.508
  578    HA   TYR 349           HA       TYR 349 -21.538  -7.819  -2.377
  579   1HB   TYR 349          1HB       TYR 349 -21.116  -5.530  -3.243
  580   2HB   TYR 349          2HB       TYR 349 -19.770  -5.377  -2.120
  581    HD1  TYR 349           HD1      TYR 349 -20.986  -7.155  -5.116
  582    HD2  TYR 349           HD2      TYR 349 -17.650  -6.367  -2.596
  583    HE1  TYR 349           HE1      TYR 349 -19.492  -8.159  -6.792
  584    HE2  TYR 349           HE2      TYR 349 -16.145  -7.368  -4.264
  585    HH   TYR 349           HH       TYR 349 -16.310  -9.021  -6.136
  586    H    THR 350           H        THR 350 -19.729  -9.192  -2.388
  587    HA   THR 350           HA       THR 350 -18.173  -9.189   0.115
  588    HB   THR 350           HB       THR 350 -19.581 -11.058   0.312
  589    HG1  THR 350           HG1      THR 350 -17.576 -12.551  -0.837
  590   1HG2  THR 350          1HG2      THR 350 -20.445 -11.115  -1.969
  591   2HG2  THR 350          2HG2      THR 350 -19.913 -12.719  -1.468
  592   3HG2  THR 350          3HG2      THR 350 -18.908 -11.754  -2.549
  593    HA   PRO 351           HA       PRO 351 -15.064  -8.625  -3.238
  594   1HB   PRO 351          1HB       PRO 351 -13.452  -7.896  -0.859
  595   2HB   PRO 351          2HB       PRO 351 -13.665  -7.030  -2.383
  596   1HG   PRO 351          1HG       PRO 351 -14.828  -6.173  -0.138
  597   2HG   PRO 351          2HG       PRO 351 -15.652  -6.055  -1.704
  598   1HD   PRO 351          1HD       PRO 351 -16.069  -8.016   0.515
  599   2HD   PRO 351          2HD       PRO 351 -17.265  -7.235  -0.542
  600    H    ALA 352           H        ALA 352 -12.927  -9.595  -3.532
  601    HA   ALA 352           HA       ALA 352 -12.776 -12.191  -2.194
  602   1HB   ALA 352          1HB       ALA 352 -11.358 -11.204  -4.666
  603   2HB   ALA 352          2HB       ALA 352 -12.824 -12.183  -4.636
  604   3HB   ALA 352          3HB       ALA 352 -11.307 -12.847  -4.029
  605    H    LEU 353           H        LEU 353 -11.084  -9.177  -2.453
  606    HA   LEU 353           HA       LEU 353  -8.899 -10.287  -0.815
  607   1HB   LEU 353          1HB       LEU 353  -8.267  -9.496  -3.118
  608   2HB   LEU 353          2HB       LEU 353  -8.726  -7.879  -2.621
  609    HG   LEU 353           HG       LEU 353  -6.695  -9.360  -1.006
  610   1HD1  LEU 353          1HD1      LEU 353  -6.085  -7.885  -3.563
  611   2HD1  LEU 353          2HD1      LEU 353  -5.982  -9.632  -3.341
  612   3HD1  LEU 353          3HD1      LEU 353  -4.910  -8.562  -2.437
  613   1HD2  LEU 353          1HD2      LEU 353  -7.476  -7.243  -0.160
  614   2HD2  LEU 353          2HD2      LEU 353  -7.151  -6.464  -1.709
  615   3HD2  LEU 353          3HD2      LEU 353  -5.816  -7.063  -0.725
  616    H    THR 354           H        THR 354  -8.403  -9.300   1.070
  617    HA   THR 354           HA       THR 354  -9.715  -6.753   1.718
  618    HB   THR 354           HB       THR 354 -10.289  -7.588   3.969
  619    HG1  THR 354           HG1      THR 354  -8.759  -9.646   3.225
  620   1HG2  THR 354          1HG2      THR 354 -12.192  -8.988   3.315
  621   2HG2  THR 354          2HG2      THR 354 -11.463  -9.241   1.730
  622   3HG2  THR 354          3HG2      THR 354 -11.989  -7.628   2.212
  623    H    GLU 355           H        GLU 355  -8.883  -6.431   4.292
  624    HA   GLU 355           HA       GLU 355  -6.222  -5.595   4.001
  625   1HB   GLU 355          1HB       GLU 355  -7.810  -6.072   6.530
  626   2HB   GLU 355          2HB       GLU 355  -6.282  -5.208   6.453
  627   1HG   GLU 355          1HG       GLU 355  -7.955  -3.564   6.535
  628   2HG   GLU 355          2HG       GLU 355  -7.403  -3.608   4.861
  629    H    GLN 356           H        GLN 356  -7.619  -8.503   5.407
  630    HA   GLN 356           HA       GLN 356  -5.306  -9.542   6.606
  631   1HB   GLN 356          1HB       GLN 356  -7.629 -11.050   5.387
  632   2HB   GLN 356          2HB       GLN 356  -6.465 -11.706   6.530
  633   1HG   GLN 356          1HG       GLN 356  -8.376  -9.448   7.088
  634   2HG   GLN 356          2HG       GLN 356  -8.592 -11.123   7.591
  635   1HE2  GLN 356          1HE2      GLN 356  -8.381  -8.685   9.188
  636   2HE2  GLN 356          2HE2      GLN 356  -7.056  -8.936  10.269
  637    H    GLU 357           H        GLU 357  -6.718 -10.186   3.407
  638    HA   GLU 357           HA       GLU 357  -4.813 -11.973   2.470
  639   1HB   GLU 357          1HB       GLU 357  -6.975 -11.428   1.354
  640   2HB   GLU 357          2HB       GLU 357  -6.281  -9.901   0.830
  641   1HG   GLU 357          1HG       GLU 357  -6.221 -11.524  -0.959
  642   2HG   GLU 357          2HG       GLU 357  -4.586 -11.109  -0.446
  643    H    VAL 358           H        VAL 358  -4.795  -8.447   2.487
  644    HA   VAL 358           HA       VAL 358  -2.518  -8.055   0.893
  645    HB   VAL 358           HB       VAL 358  -3.719  -6.372   3.090
  646   1HG1  VAL 358          1HG1      VAL 358  -1.367  -5.831   3.026
  647   2HG1  VAL 358          2HG1      VAL 358  -2.283  -4.532   2.262
  648   3HG1  VAL 358          3HG1      VAL 358  -1.410  -5.699   1.268
  649   1HG2  VAL 358          1HG2      VAL 358  -4.462  -4.975   1.237
  650   2HG2  VAL 358          2HG2      VAL 358  -5.041  -6.630   1.045
  651   3HG2  VAL 358          3HG2      VAL 358  -3.670  -6.059   0.093
  652    H    TYR 359           H        TYR 359  -2.783  -8.016   4.458
  653    HA   TYR 359           HA       TYR 359  -0.126  -7.774   5.105
  654   1HB   TYR 359          1HB       TYR 359  -2.023  -7.810   6.732
  655   2HB   TYR 359          2HB       TYR 359  -2.094  -9.560   6.552
  656    HD1  TYR 359           HD1      TYR 359   0.020  -6.762   7.737
  657    HD2  TYR 359           HD2      TYR 359  -0.594 -10.972   7.727
  658    HE1  TYR 359           HE1      TYR 359   1.709  -7.007   9.507
  659    HE2  TYR 359           HE2      TYR 359   1.094 -11.228   9.498
  660    HH   TYR 359           HH       TYR 359   2.278  -8.637  11.299
  661    H    ALA 360           H        ALA 360  -1.883 -10.682   4.168
  662    HA   ALA 360           HA       ALA 360   0.137 -12.557   4.717
  663   1HB   ALA 360          1HB       ALA 360  -2.129 -13.264   4.328
  664   2HB   ALA 360          2HB       ALA 360  -1.079 -14.017   3.128
  665   3HB   ALA 360          3HB       ALA 360  -2.083 -12.638   2.679
  666    H    GLN 361           H        GLN 361  -0.779 -11.166   1.548
  667    HA   GLN 361           HA       GLN 361   1.330 -12.234   0.082
  668   1HB   GLN 361          1HB       GLN 361  -0.050  -9.588  -0.384
  669   2HB   GLN 361          2HB       GLN 361   0.822 -10.535  -1.582
  670   1HG   GLN 361          1HG       GLN 361  -1.587 -11.579  -0.131
  671   2HG   GLN 361          2HG       GLN 361  -1.695 -10.678  -1.640
  672   1HE2  GLN 361          1HE2      GLN 361  -2.433 -13.443  -1.027
  673   2HE2  GLN 361          2HE2      GLN 361  -1.542 -14.427  -2.133
  674    H    VAL 362           H        VAL 362   1.095  -8.990   1.543
  675    HA   VAL 362           HA       VAL 362   3.607  -8.051   0.823
  676    HB   VAL 362           HB       VAL 362   2.178  -7.420   3.411
  677   1HG1  VAL 362          1HG1      VAL 362   4.181  -5.838   1.802
  678   2HG1  VAL 362          2HG1      VAL 362   4.493  -6.650   3.337
  679   3HG1  VAL 362          3HG1      VAL 362   3.371  -5.290   3.270
  680   1HG2  VAL 362          1HG2      VAL 362   1.918  -6.044   0.739
  681   2HG2  VAL 362          2HG2      VAL 362   1.096  -5.603   2.235
  682   3HG2  VAL 362          3HG2      VAL 362   0.716  -7.128   1.436
  683    H    ALA 363           H        ALA 363   2.637 -10.159   3.454
  684    HA   ALA 363           HA       ALA 363   5.118 -10.098   4.846
  685   1HB   ALA 363          1HB       ALA 363   2.961 -12.208   4.883
  686   2HB   ALA 363          2HB       ALA 363   3.034 -10.790   5.930
  687   3HB   ALA 363          3HB       ALA 363   4.270 -12.041   6.053
  688    H    ARG 364           H        ARG 364   3.779 -12.071   2.268
  689    HA   ARG 364           HA       ARG 364   5.767 -14.077   2.259
  690   1HB   ARG 364          1HB       ARG 364   3.578 -14.303   1.130
  691   2HB   ARG 364          2HB       ARG 364   4.066 -13.083  -0.037
  692   1HG   ARG 364          1HG       ARG 364   5.878 -14.541  -0.798
  693   2HG   ARG 364          2HG       ARG 364   5.371 -15.767   0.365
  694   1HD   ARG 364          1HD       ARG 364   3.178 -15.881  -0.741
  695   2HD   ARG 364          2HD       ARG 364   3.723 -14.691  -1.921
  696    HE   ARG 364           HE       ARG 364   5.403 -17.022  -1.752
  697   1HH1  ARG 364          1HH1      ARG 364   2.581 -15.615  -3.239
  698   2HH1  ARG 364          2HH1      ARG 364   2.635 -16.651  -4.625
  699   1HH2  ARG 364          1HH2      ARG 364   5.480 -18.392  -3.574
  700   2HH2  ARG 364          2HH2      ARG 364   4.283 -18.231  -4.816
  701    H    LEU 365           H        LEU 365   5.501 -10.928   0.727
  702    HA   LEU 365           HA       LEU 365   7.824 -11.212  -0.907
  703   1HB   LEU 365          1HB       LEU 365   6.336  -8.755   0.020
  704   2HB   LEU 365          2HB       LEU 365   7.627  -8.741  -1.166
  705    HG   LEU 365           HG       LEU 365   5.000 -10.196  -1.495
  706   1HD1  LEU 365          1HD1      LEU 365   5.971  -7.606  -2.695
  707   2HD1  LEU 365          2HD1      LEU 365   4.678  -7.789  -1.509
  708   3HD1  LEU 365          3HD1      LEU 365   4.484  -8.448  -3.133
  709   1HD2  LEU 365          1HD2      LEU 365   7.270  -9.708  -3.423
  710   2HD2  LEU 365          2HD2      LEU 365   5.722 -10.447  -3.828
  711   3HD2  LEU 365          3HD2      LEU 365   6.820 -11.257  -2.712
  712    H    PHE 366           H        PHE 366   7.183  -9.922   2.308
  713    HA   PHE 366           HA       PHE 366  10.077  -9.481   2.653
  714   1HB   PHE 366          1HB       PHE 366   7.858  -8.270   4.313
  715   2HB   PHE 366          2HB       PHE 366   9.568  -7.858   4.361
  716    HD1  PHE 366           HD1      PHE 366   6.743  -6.378   3.637
  717    HD2  PHE 366           HD2      PHE 366  10.251  -7.566   1.542
  718    HE1  PHE 366           HE1      PHE 366   6.349  -4.602   1.981
  719    HE2  PHE 366           HE2      PHE 366   9.864  -5.793  -0.119
  720    HZ   PHE 366           HZ       PHE 366   7.912  -4.307   0.100
  721    H    LYS 367           H        LYS 367  10.693 -11.498   3.332
  722    HA   LYS 367           HA       LYS 367   9.267 -12.733   5.563
  723   1HB   LYS 367          1HB       LYS 367   9.895 -14.096   3.581
  724   2HB   LYS 367          2HB       LYS 367  11.589 -13.794   3.944
  725   1HG   LYS 367          1HG       LYS 367  11.323 -14.938   6.095
  726   2HG   LYS 367          2HG       LYS 367   9.632 -15.258   5.705
  727   1HD   LYS 367          1HD       LYS 367  10.350 -16.537   3.731
  728   2HD   LYS 367          2HD       LYS 367  12.035 -16.245   4.168
  729   1HE   LYS 367          1HE       LYS 367  11.328 -18.456   4.896
  730   2HE   LYS 367          2HE       LYS 367  11.686 -17.429   6.284
  731   1HZ   LYS 367          1HZ       LYS 367   8.975 -18.021   5.222
  732   2HZ   LYS 367          2HZ       LYS 367   9.315 -17.030   6.550
  733   3HZ   LYS 367          3HZ       LYS 367   9.654 -18.685   6.621
  734    H    ASN 368           H        ASN 368  12.035 -10.838   4.940
  735    HA   ASN 368           HA       ASN 368  13.126 -11.488   7.601
  736   1HB   ASN 368          1HB       ASN 368  14.602 -10.308   5.237
  737   2HB   ASN 368          2HB       ASN 368  15.304 -10.740   6.793
  738   1HD2  ASN 368          1HD2      ASN 368  15.929 -11.681   4.094
  739   2HD2  ASN 368          2HD2      ASN 368  15.755 -13.398   4.142
  740    H    GLN 369           H        GLN 369  12.087  -8.969   5.422
  741    HA   GLN 369           HA       GLN 369  12.895  -6.833   7.201
  742   1HB   GLN 369          1HB       GLN 369  11.317  -6.841   4.626
  743   2HB   GLN 369          2HB       GLN 369  11.714  -5.384   5.525
  744   1HG   GLN 369          1HG       GLN 369  13.728  -7.308   4.387
  745   2HG   GLN 369          2HG       GLN 369  13.222  -5.802   3.623
  746   1HE2  GLN 369          1HE2      GLN 369  13.849  -3.834   4.537
  747   2HE2  GLN 369          2HE2      GLN 369  15.151  -3.728   5.668
  748    H    GLU 370           H        GLU 370  11.700  -7.430   9.082
  749    HA   GLU 370           HA       GLU 370   8.833  -7.555   9.010
  750   1HB   GLU 370          1HB       GLU 370  10.668  -7.250  11.393
  751   2HB   GLU 370          2HB       GLU 370   8.978  -7.732  11.434
  752   1HG   GLU 370          1HG       GLU 370  11.230  -9.278  10.170
  753   2HG   GLU 370          2HG       GLU 370  10.449  -9.644  11.709
  754    H    ASP 371           H        ASP 371  11.246  -5.107   9.636
  755    HA   ASP 371           HA       ASP 371   9.683  -3.197  10.937
  756   1HB   ASP 371          1HB       ASP 371  11.345  -1.561  10.171
  757   2HB   ASP 371          2HB       ASP 371  12.122  -3.028  10.757
  758    H    LEU 372           H        LEU 372  10.008  -3.949   7.514
  759    HA   LEU 372           HA       LEU 372   8.705  -1.685   6.479
  760   1HB   LEU 372          1HB       LEU 372   9.267  -4.437   5.492
  761   2HB   LEU 372          2HB       LEU 372   8.070  -3.491   4.629
  762    HG   LEU 372           HG       LEU 372   9.747  -1.730   4.239
  763   1HD1  LEU 372          1HD1      LEU 372  11.649  -3.646   5.577
  764   2HD1  LEU 372          2HD1      LEU 372  11.140  -2.075   6.196
  765   3HD1  LEU 372          3HD1      LEU 372  12.104  -2.171   4.723
  766   1HD2  LEU 372          1HD2      LEU 372   9.417  -3.468   2.570
  767   2HD2  LEU 372          2HD2      LEU 372  10.608  -4.488   3.377
  768   3HD2  LEU 372          3HD2      LEU 372  11.109  -2.972   2.627
  769    H    LEU 373           H        LEU 373   7.437  -4.893   7.346
  770    HA   LEU 373           HA       LEU 373   4.757  -4.374   6.686
  771   1HB   LEU 373          1HB       LEU 373   6.192  -6.375   8.342
  772   2HB   LEU 373          2HB       LEU 373   4.472  -6.191   8.636
  773    HG   LEU 373           HG       LEU 373   5.674  -6.796   5.933
  774   1HD1  LEU 373          1HD1      LEU 373   4.425  -8.621   7.979
  775   2HD1  LEU 373          2HD1      LEU 373   6.083  -8.669   7.378
  776   3HD1  LEU 373          3HD1      LEU 373   4.742  -9.065   6.303
  777   1HD2  LEU 373          1HD2      LEU 373   3.373  -7.326   5.313
  778   2HD2  LEU 373          2HD2      LEU 373   3.517  -5.651   5.846
  779   3HD2  LEU 373          3HD2      LEU 373   2.825  -6.862   6.925
  780    H    SER 374           H        SER 374   6.611  -3.808   9.623
  781    HA   SER 374           HA       SER 374   4.509  -3.163  11.350
  782   1HB   SER 374          1HB       SER 374   6.814  -3.497  12.132
  783   2HB   SER 374          2HB       SER 374   7.317  -2.026  11.297
  784    HG   SER 374           HG       SER 374   5.264  -2.003  13.236
  785    H    GLU 375           H        GLU 375   6.540  -0.989   9.388
  786    HA   GLU 375           HA       GLU 375   5.175   1.380   9.978
  787   1HB   GLU 375          1HB       GLU 375   6.693   0.627   7.472
  788   2HB   GLU 375          2HB       GLU 375   6.202   2.261   7.897
  789   1HG   GLU 375          1HG       GLU 375   7.600   2.159   9.897
  790   2HG   GLU 375          2HG       GLU 375   8.095   0.522   9.465
  791    H    PHE 376           H        PHE 376   4.611  -1.085   7.540
  792    HA   PHE 376           HA       PHE 376   2.585   0.341   6.136
  793   1HB   PHE 376          1HB       PHE 376   3.834  -1.470   5.070
  794   2HB   PHE 376          2HB       PHE 376   3.200  -2.621   6.240
  795    HD1  PHE 376           HD1      PHE 376   1.086  -3.625   5.944
  796    HD2  PHE 376           HD2      PHE 376   2.288  -0.411   3.426
  797    HE1  PHE 376           HE1      PHE 376  -0.826  -4.076   4.462
  798    HE2  PHE 376           HE2      PHE 376   0.378  -0.856   1.941
  799    HZ   PHE 376           HZ       PHE 376  -1.182  -2.690   2.457
  800    H    GLY 377           H        GLY 377   2.670  -1.526   9.027
  801   1HA   GLY 377          1HA       GLY 377  -0.170  -2.082   9.062
  802   2HA   GLY 377          2HA       GLY 377   0.980  -2.434  10.342
  803    H    GLN 378           H        GLN 378   2.009   0.317  10.390
  804    HA   GLN 378           HA       GLN 378   0.415   1.381  12.405
  805   1HB   GLN 378          1HB       GLN 378   2.357   2.790  10.566
  806   2HB   GLN 378          2HB       GLN 378   1.672   3.504  12.020
  807   1HG   GLN 378          1HG       GLN 378   2.712   1.733  13.362
  808   2HG   GLN 378          2HG       GLN 378   3.431   1.064  11.897
  809   1HE2  GLN 378          1HE2      GLN 378   3.484   3.676  14.188
  810   2HE2  GLN 378          2HE2      GLN 378   5.004   4.339  13.706
  811    H    PHE 379           H        PHE 379   0.176   1.700   8.949
  812    HA   PHE 379           HA       PHE 379  -1.690   3.907   9.078
  813   1HB   PHE 379          1HB       PHE 379  -0.753   2.190   6.772
  814   2HB   PHE 379          2HB       PHE 379  -1.872   3.539   6.605
  815    HD1  PHE 379           HD1      PHE 379   1.548   2.536   6.739
  816    HD2  PHE 379           HD2      PHE 379  -1.067   5.844   7.317
  817    HE1  PHE 379           HE1      PHE 379   3.451   4.077   6.504
  818    HE2  PHE 379           HE2      PHE 379   0.831   7.391   7.084
  819    HZ   PHE 379           HZ       PHE 379   3.094   6.508   6.676
  820    H    LEU 380           H        LEU 380  -1.771   0.424   8.692
  821    HA   LEU 380           HA       LEU 380  -4.471   0.188   7.902
  822   1HB   LEU 380          1HB       LEU 380  -2.640  -1.736   9.331
  823   2HB   LEU 380          2HB       LEU 380  -4.241  -2.162   8.761
  824    HG   LEU 380           HG       LEU 380  -2.014  -1.202   6.969
  825   1HD1  LEU 380          1HD1      LEU 380  -1.852  -3.556   6.263
  826   2HD1  LEU 380          2HD1      LEU 380  -2.975  -3.999   7.549
  827   3HD1  LEU 380          3HD1      LEU 380  -1.397  -3.324   7.951
  828   1HD2  LEU 380          1HD2      LEU 380  -3.437  -2.013   5.172
  829   2HD2  LEU 380          2HD2      LEU 380  -4.283  -0.792   6.125
  830   3HD2  LEU 380          3HD2      LEU 380  -4.663  -2.501   6.342
  831    HA   PRO 381           HA       PRO 381  -6.745   0.960  11.605
  832   1HB   PRO 381          1HB       PRO 381  -8.442  -1.379  10.993
  833   2HB   PRO 381          2HB       PRO 381  -8.885   0.325  11.127
  834   1HG   PRO 381          1HG       PRO 381  -8.807  -0.910   8.754
  835   2HG   PRO 381          2HG       PRO 381  -8.315   0.784   8.935
  836   1HD   PRO 381          1HD       PRO 381  -6.612  -1.668   8.692
  837   2HD   PRO 381          2HD       PRO 381  -6.392  -0.066   7.958
  838    H    ASP 382           H        ASP 382  -8.062  -0.678  13.290
  839    HA   ASP 382           HA       ASP 382  -5.914  -1.971  14.687
  840   1HB   ASP 382          1HB       ASP 382  -8.865  -1.870  15.349
  841   2HB   ASP 382          2HB       ASP 382  -7.578  -2.372  16.440
  842    H    ALA 383           H        ALA 383  -7.760  -2.956  12.175
  843    HA   ALA 383           HA       ALA 383  -8.545  -5.568  12.941
  844   1HB   ALA 383          1HB       ALA 383  -8.857  -5.975  10.564
  845   2HB   ALA 383          2HB       ALA 383  -7.956  -4.509  10.178
  846   3HB   ALA 383          3HB       ALA 383  -9.507  -4.398  11.011
  Start of MODEL   17
    1   1H    ARG   6          1H        ARG   6 -10.380   9.553   0.955
    2   2H    ARG   6          2H        ARG   6  -8.854   9.811   0.273
    3   3H    ARG   6          3H        ARG   6  -9.195  10.389   1.826
    4    HA   ARG   6           HA       ARG   6  -9.442   8.143   2.649
    5   1HB   ARG   6          1HB       ARG   6 -10.183   7.173   0.493
    6   2HB   ARG   6          2HB       ARG   6  -8.550   7.349  -0.130
    7   1HG   ARG   6          1HG       ARG   6  -7.712   5.771   1.484
    8   2HG   ARG   6          2HG       ARG   6  -9.296   5.667   2.253
    9   1HD   ARG   6          1HD       ARG   6  -8.806   3.762   0.747
   10   2HD   ARG   6          2HD       ARG   6 -10.246   4.668   0.285
   11    HE   ARG   6           HE       ARG   6  -8.274   5.801  -1.194
   12   1HH1  ARG   6          1HH1      ARG   6  -9.364   2.524  -0.738
   13   2HH1  ARG   6          2HH1      ARG   6  -8.929   2.021  -2.338
   14   1HH2  ARG   6          1HH2      ARG   6  -7.702   5.150  -3.302
   15   2HH2  ARG   6          2HH2      ARG   6  -7.987   3.515  -3.796
   16    H    MET   7           H        MET   7  -7.667   7.134   3.604
   17    HA   MET   7           HA       MET   7  -5.024   8.161   2.815
   18   1HB   MET   7          1HB       MET   7  -4.517   8.152   5.330
   19   2HB   MET   7          2HB       MET   7  -5.521   9.454   4.711
   20   1HG   MET   7          1HG       MET   7  -6.517   8.753   6.718
   21   2HG   MET   7          2HG       MET   7  -7.520   8.104   5.423
   22   1HE   MET   7          1HE       MET   7  -4.949   7.348   8.244
   23   2HE   MET   7          2HE       MET   7  -4.040   6.825   6.826
   24   3HE   MET   7          3HE       MET   7  -4.599   5.637   8.003
   25    H    ASN   8           H        ASN   8  -3.683   6.798   4.970
   26    HA   ASN   8           HA       ASN   8  -2.732   4.806   5.494
   27   1HB   ASN   8          1HB       ASN   8  -4.838   3.992   6.240
   28   2HB   ASN   8          2HB       ASN   8  -5.429   3.795   4.595
   29   1HD2  ASN   8          1HD2      ASN   8  -2.211   2.858   5.543
   30   2HD2  ASN   8          2HD2      ASN   8  -2.461   1.153   5.429
   31    H    ILE   9           H        ILE   9  -4.589   3.507   2.781
   32    HA   ILE   9           HA       ILE   9  -2.116   2.653   1.527
   33    HB   ILE   9           HB       ILE   9  -4.978   2.149   0.700
   34   1HG1  ILE   9          1HG1      ILE   9  -3.012   0.484   2.287
   35   2HG1  ILE   9          2HG1      ILE   9  -4.514   1.187   2.876
   36   1HG2  ILE   9          1HG2      ILE   9  -2.426   0.823  -0.214
   37   2HG2  ILE   9          2HG2      ILE   9  -3.399   1.949  -1.162
   38   3HG2  ILE   9          3HG2      ILE   9  -4.062   0.380  -0.704
   39   1HD1  ILE   9          1HD1      ILE   9  -4.260  -0.990   0.819
   40   2HD1  ILE   9          2HD1      ILE   9  -5.771  -0.269   1.370
   41   3HD1  ILE   9          3HD1      ILE   9  -4.766  -1.181   2.496
   42    H    GLN  10           H        GLN  10  -4.591   5.054   1.073
   43    HA   GLN  10           HA       GLN  10  -4.101   5.637  -1.648
   44   1HB   GLN  10          1HB       GLN  10  -6.138   6.395  -0.610
   45   2HB   GLN  10          2HB       GLN  10  -5.241   7.330   0.578
   46   1HG   GLN  10          1HG       GLN  10  -6.235   8.725  -1.177
   47   2HG   GLN  10          2HG       GLN  10  -4.479   8.851  -1.121
   48   1HE2  GLN  10          1HE2      GLN  10  -6.172   6.118  -2.487
   49   2HE2  GLN  10          2HE2      GLN  10  -5.733   6.420  -4.130
   50    H    MET  11           H        MET  11  -2.518   6.586   1.309
   51    HA   MET  11           HA       MET  11  -1.079   8.794   0.252
   52   1HB   MET  11          1HB       MET  11  -0.548   7.025   2.643
   53   2HB   MET  11          2HB       MET  11   0.372   8.477   2.272
   54   1HG   MET  11          1HG       MET  11  -2.586   8.380   2.817
   55   2HG   MET  11          2HG       MET  11  -1.344   8.865   3.970
   56   1HE   MET  11          1HE       MET  11  -3.115  12.255   3.139
   57   2HE   MET  11          2HE       MET  11  -2.667  11.111   4.404
   58   3HE   MET  11          3HE       MET  11  -3.896  10.676   3.215
   59    H    LEU  12           H        LEU  12  -0.215   5.394   0.813
   60    HA   LEU  12           HA       LEU  12   2.422   5.569  -0.152
   61   1HB   LEU  12          1HB       LEU  12   0.598   3.165  -0.192
   62   2HB   LEU  12          2HB       LEU  12   2.348   3.143  -0.293
   63    HG   LEU  12           HG       LEU  12   0.770   4.080   2.105
   64   1HD1  LEU  12          1HD1      LEU  12   2.287   1.516   1.644
   65   2HD1  LEU  12          2HD1      LEU  12   0.533   1.681   1.738
   66   3HD1  LEU  12          3HD1      LEU  12   1.528   2.014   3.156
   67   1HD2  LEU  12          1HD2      LEU  12   3.728   3.632   1.712
   68   2HD2  LEU  12          2HD2      LEU  12   2.943   4.033   3.240
   69   3HD2  LEU  12          3HD2      LEU  12   2.925   5.190   1.910
   70    H    LEU  13           H        LEU  13  -0.624   4.741  -1.748
   71    HA   LEU  13           HA       LEU  13   0.462   4.058  -4.251
   72   1HB   LEU  13          1HB       LEU  13  -2.253   5.072  -3.432
   73   2HB   LEU  13          2HB       LEU  13  -1.870   4.640  -5.088
   74    HG   LEU  13           HG       LEU  13  -1.607   2.718  -2.780
   75   1HD1  LEU  13          1HD1      LEU  13  -3.719   1.756  -3.499
   76   2HD1  LEU  13          2HD1      LEU  13  -3.892   3.013  -4.726
   77   3HD1  LEU  13          3HD1      LEU  13  -3.937   3.438  -3.015
   78   1HD2  LEU  13          1HD2      LEU  13  -1.648   1.043  -4.598
   79   2HD2  LEU  13          2HD2      LEU  13  -0.260   2.125  -4.690
   80   3HD2  LEU  13          3HD2      LEU  13  -1.632   2.357  -5.773
   81    H    GLU  14           H        GLU  14  -0.901   7.128  -3.078
   82    HA   GLU  14           HA       GLU  14  -0.531   8.593  -5.432
   83   1HB   GLU  14          1HB       GLU  14  -1.933   9.382  -3.594
   84   2HB   GLU  14          2HB       GLU  14  -0.518   9.550  -2.564
   85   1HG   GLU  14          1HG       GLU  14  -1.219  11.704  -3.404
   86   2HG   GLU  14          2HG       GLU  14   0.362  11.274  -4.054
   87    H    ALA  15           H        ALA  15   1.638   7.934  -2.741
   88    HA   ALA  15           HA       ALA  15   3.680   9.745  -3.452
   89   1HB   ALA  15          1HB       ALA  15   3.947   7.146  -1.946
   90   2HB   ALA  15          2HB       ALA  15   3.488   8.693  -1.233
   91   3HB   ALA  15          3HB       ALA  15   5.092   8.488  -1.940
   92    H    ALA  16           H        ALA  16   3.214   6.300  -4.185
   93    HA   ALA  16           HA       ALA  16   5.606   5.906  -5.599
   94   1HB   ALA  16          1HB       ALA  16   2.967   4.489  -5.954
   95   2HB   ALA  16          2HB       ALA  16   4.219   4.065  -4.788
   96   3HB   ALA  16          3HB       ALA  16   4.537   3.915  -6.516
   97    H    ASP  17           H        ASP  17   2.343   6.708  -6.783
   98    HA   ASP  17           HA       ASP  17   3.083   6.852  -9.511
   99   1HB   ASP  17          1HB       ASP  17   0.741   8.019  -8.000
  100   2HB   ASP  17          2HB       ASP  17   0.916   8.130  -9.749
  101    H    TYR  18           H        TYR  18   3.286   9.096  -6.872
  102    HA   TYR  18           HA       TYR  18   3.496  11.487  -8.371
  103   1HB   TYR  18          1HB       TYR  18   3.014  11.511  -5.975
  104   2HB   TYR  18          2HB       TYR  18   4.590  10.805  -5.632
  105    HD1  TYR  18           HD1      TYR  18   2.795  13.854  -6.566
  106    HD2  TYR  18           HD2      TYR  18   6.619  12.150  -5.797
  107    HE1  TYR  18           HE1      TYR  18   3.757  16.109  -6.388
  108    HE2  TYR  18           HE2      TYR  18   7.590  14.402  -5.616
  109    HH   TYR  18           HH       TYR  18   7.111  16.679  -6.361
  110    H    LEU  19           H        LEU  19   6.036   9.555  -6.779
  111    HA   LEU  19           HA       LEU  19   8.191  10.942  -7.958
  112   1HB   LEU  19          1HB       LEU  19   8.272   8.086  -7.014
  113   2HB   LEU  19          2HB       LEU  19   9.587   9.244  -7.056
  114    HG   LEU  19           HG       LEU  19   7.180   9.545  -5.270
  115   1HD1  LEU  19          1HD1      LEU  19   9.891   8.426  -4.575
  116   2HD1  LEU  19          2HD1      LEU  19   8.413   7.480  -4.744
  117   3HD1  LEU  19          3HD1      LEU  19   8.546   8.688  -3.467
  118   1HD2  LEU  19          1HD2      LEU  19   8.408  11.606  -5.769
  119   2HD2  LEU  19          2HD2      LEU  19   9.904  10.842  -5.228
  120   3HD2  LEU  19          3HD2      LEU  19   8.595  11.131  -4.081
  121    H    GLU  20           H        GLU  20   6.347   8.119  -8.933
  122    HA   GLU  20           HA       GLU  20   8.039   7.193 -10.974
  123   1HB   GLU  20          1HB       GLU  20   6.111   5.938 -10.000
  124   2HB   GLU  20          2HB       GLU  20   5.023   7.003 -10.880
  125   1HG   GLU  20          1HG       GLU  20   5.968   6.226 -12.993
  126   2HG   GLU  20          2HG       GLU  20   7.062   5.162 -12.110
  127    H    ARG  21           H        ARG  21   5.022   9.070 -11.335
  128    HA   ARG  21           HA       ARG  21   6.161  10.230 -13.793
  129   1HB   ARG  21          1HB       ARG  21   4.286   8.740 -14.282
  130   2HB   ARG  21          2HB       ARG  21   3.266   9.630 -13.160
  131   1HG   ARG  21          1HG       ARG  21   3.411  11.607 -14.565
  132   2HG   ARG  21          2HG       ARG  21   4.482  10.753 -15.677
  133   1HD   ARG  21          1HD       ARG  21   2.166  10.813 -16.489
  134   2HD   ARG  21          2HD       ARG  21   2.721   9.166 -16.193
  135    HE   ARG  21           HE       ARG  21   1.455  10.024 -13.879
  136   1HH1  ARG  21          1HH1      ARG  21   0.626   9.435 -17.212
  137   2HH1  ARG  21          2HH1      ARG  21  -1.014   9.003 -16.861
  138   1HH2  ARG  21          1HH2      ARG  21  -0.701   9.453 -13.408
  139   2HH2  ARG  21          2HH2      ARG  21  -1.770   9.014 -14.698
  140   1H    SER 295          1H        SER 295 -11.601  14.950   6.168
  141   2H    SER 295          2H        SER 295 -10.685  14.531   4.810
  142   3H    SER 295          3H        SER 295 -10.788  16.149   5.294
  143    HA   SER 295           HA       SER 295  -9.620  15.665   7.329
  144   1HB   SER 295          1HB       SER 295 -10.372  13.352   7.612
  145   2HB   SER 295          2HB       SER 295  -9.450  12.862   6.192
  146    HG   SER 295           HG       SER 295  -7.644  12.958   7.311
  147    H    LEU 296           H        LEU 296  -9.259  15.258   3.993
  148    HA   LEU 296           HA       LEU 296  -6.387  15.887   4.192
  149   1HB   LEU 296          1HB       LEU 296  -7.742  14.317   1.998
  150   2HB   LEU 296          2HB       LEU 296  -6.036  14.711   2.083
  151    HG   LEU 296           HG       LEU 296  -7.521  12.912   4.000
  152   1HD1  LEU 296          1HD1      LEU 296  -5.514  12.285   1.842
  153   2HD1  LEU 296          2HD1      LEU 296  -7.235  11.904   1.806
  154   3HD1  LEU 296          3HD1      LEU 296  -6.186  11.128   2.992
  155   1HD2  LEU 296          1HD2      LEU 296  -4.589  13.600   3.831
  156   2HD2  LEU 296          2HD2      LEU 296  -5.312  12.408   4.912
  157   3HD2  LEU 296          3HD2      LEU 296  -5.704  14.118   5.096
  158    H    GLN 297           H        GLN 297  -9.076  17.398   3.810
  159    HA   GLN 297           HA       GLN 297  -8.857  18.617   1.234
  160   1HB   GLN 297          1HB       GLN 297 -10.398  19.463   3.692
  161   2HB   GLN 297          2HB       GLN 297 -10.573  20.181   2.097
  162   1HG   GLN 297          1HG       GLN 297 -11.393  18.099   1.202
  163   2HG   GLN 297          2HG       GLN 297 -11.110  17.292   2.745
  164   1HE2  GLN 297          1HE2      GLN 297 -12.026  19.573   4.303
  165   2HE2  GLN 297          2HE2      GLN 297 -13.746  19.596   4.159
  166    H    ASN 298           H        ASN 298  -7.162  18.994   4.118
  167    HA   ASN 298           HA       ASN 298  -6.451  21.780   3.527
  168   1HB   ASN 298          1HB       ASN 298  -5.768  20.120   5.964
  169   2HB   ASN 298          2HB       ASN 298  -5.480  21.845   5.759
  170   1HD2  ASN 298          1HD2      ASN 298  -7.047  20.396   7.762
  171   2HD2  ASN 298          2HD2      ASN 298  -8.641  21.058   7.682
  172    H    ASN 299           H        ASN 299  -3.968  22.053   4.449
  173    HA   ASN 299           HA       ASN 299  -2.400  20.361   2.635
  174   1HB   ASN 299          1HB       ASN 299  -1.755  23.055   3.852
  175   2HB   ASN 299          2HB       ASN 299  -0.694  22.156   2.771
  176   1HD2  ASN 299          1HD2      ASN 299  -1.236  21.966   0.596
  177   2HD2  ASN 299          2HD2      ASN 299  -2.402  23.000  -0.151
  178    H    GLN 300           H        GLN 300  -1.775  18.602   3.776
  179    HA   GLN 300           HA       GLN 300  -0.214  19.091   6.217
  180   1HB   GLN 300          1HB       GLN 300  -2.210  18.073   6.979
  181   2HB   GLN 300          2HB       GLN 300  -2.233  16.936   5.639
  182   1HG   GLN 300          1HG       GLN 300  -0.383  15.748   6.528
  183   2HG   GLN 300          2HG       GLN 300  -0.158  16.940   7.808
  184   1HE2  GLN 300          1HE2      GLN 300  -2.080  14.291   6.651
  185   2HE2  GLN 300          2HE2      GLN 300  -2.957  14.016   8.114
  186    HA   PRO 301           HA       PRO 301   2.588  16.922   3.335
  187   1HB   PRO 301          1HB       PRO 301   4.846  18.164   4.071
  188   2HB   PRO 301          2HB       PRO 301   3.659  18.951   3.022
  189   1HG   PRO 301          1HG       PRO 301   4.122  19.300   5.957
  190   2HG   PRO 301          2HG       PRO 301   3.787  20.527   4.722
  191   1HD   PRO 301          1HD       PRO 301   1.895  19.496   6.431
  192   2HD   PRO 301          2HD       PRO 301   1.528  20.204   4.847
  193    H    VAL 302           H        VAL 302   1.887  16.519   6.439
  194    HA   VAL 302           HA       VAL 302   4.269  15.316   7.474
  195    HB   VAL 302           HB       VAL 302   1.418  15.004   8.428
  196   1HG1  VAL 302          1HG1      VAL 302   2.448  14.388  10.570
  197   2HG1  VAL 302          2HG1      VAL 302   4.041  14.476   9.820
  198   3HG1  VAL 302          3HG1      VAL 302   2.879  13.263   9.283
  199   1HG2  VAL 302          1HG2      VAL 302   2.099  17.345   8.393
  200   2HG2  VAL 302          2HG2      VAL 302   3.554  16.946   9.304
  201   3HG2  VAL 302          3HG2      VAL 302   1.967  16.754  10.048
  202    H    GLU 303           H        GLU 303   1.093  13.802   6.911
  203    HA   GLU 303           HA       GLU 303   2.048  11.179   6.842
  204   1HB   GLU 303          1HB       GLU 303  -0.432  12.371   5.607
  205   2HB   GLU 303          2HB       GLU 303  -0.122  10.645   5.731
  206   1HG   GLU 303          1HG       GLU 303  -0.451  12.590   8.000
  207   2HG   GLU 303          2HG       GLU 303  -1.572  11.324   7.508
  208    H    PHE 304           H        PHE 304   1.696  13.578   4.307
  209    HA   PHE 304           HA       PHE 304   2.077  11.887   2.088
  210   1HB   PHE 304          1HB       PHE 304   1.261  14.285   2.055
  211   2HB   PHE 304          2HB       PHE 304   2.935  14.778   2.280
  212    HD1  PHE 304           HD1      PHE 304   0.757  12.780   0.028
  213    HD2  PHE 304           HD2      PHE 304   4.301  15.101   0.438
  214    HE1  PHE 304           HE1      PHE 304   1.102  12.676  -2.406
  215    HE2  PHE 304           HE2      PHE 304   4.653  14.999  -1.996
  216    HZ   PHE 304           HZ       PHE 304   3.052  13.786  -3.420
  217    H    ASN 305           H        ASN 305   4.331  13.640   4.160
  218    HA   ASN 305           HA       ASN 305   6.677  13.079   2.699
  219   1HB   ASN 305          1HB       ASN 305   6.583  14.828   4.419
  220   2HB   ASN 305          2HB       ASN 305   6.341  13.605   5.662
  221   1HD2  ASN 305          1HD2      ASN 305   8.501  13.268   2.926
  222   2HD2  ASN 305          2HD2      ASN 305   9.967  13.283   3.841
  223    H    HIS 306           H        HIS 306   5.209  11.463   5.513
  224    HA   HIS 306           HA       HIS 306   7.136   9.440   5.778
  225   1HB   HIS 306          1HB       HIS 306   4.196   9.419   6.484
  226   2HB   HIS 306          2HB       HIS 306   5.344   8.184   6.987
  227    HD1  HIS 306           HD1      HIS 306   3.946  11.379   7.991
  228    HD2  HIS 306           HD2      HIS 306   7.452   9.271   8.727
  229    HE1  HIS 306           HE1      HIS 306   4.939  12.424  10.052
  230    HE2  HIS 306           HE2      HIS 306   7.057  11.130  10.483
  231    H    ALA 307           H        ALA 307   4.372   9.758   3.668
  232    HA   ALA 307           HA       ALA 307   4.198   7.071   2.814
  233   1HB   ALA 307          1HB       ALA 307   2.902   7.951   0.935
  234   2HB   ALA 307          2HB       ALA 307   3.403   9.589   1.356
  235   3HB   ALA 307          3HB       ALA 307   2.389   8.665   2.463
  236    H    ILE 308           H        ILE 308   5.700   9.905   1.241
  237    HA   ILE 308           HA       ILE 308   6.848   8.501  -0.895
  238    HB   ILE 308           HB       ILE 308   7.758  11.065   0.417
  239   1HG1  ILE 308          1HG1      ILE 308   6.063  10.490  -2.024
  240   2HG1  ILE 308          2HG1      ILE 308   5.526  11.228  -0.519
  241   1HG2  ILE 308          1HG2      ILE 308   9.594  10.001  -0.819
  242   2HG2  ILE 308          2HG2      ILE 308   9.056  11.489  -1.596
  243   3HG2  ILE 308          3HG2      ILE 308   8.573   9.926  -2.255
  244   1HD1  ILE 308          1HD1      ILE 308   5.773  12.901  -2.237
  245   2HD1  ILE 308          2HD1      ILE 308   7.447  12.417  -2.507
  246   3HD1  ILE 308          3HD1      ILE 308   6.979  13.156  -0.975
  247    H    ASN 309           H        ASN 309   7.978   9.069   2.381
  248    HA   ASN 309           HA       ASN 309  10.650   8.240   2.015
  249   1HB   ASN 309          1HB       ASN 309   9.892   9.499   3.992
  250   2HB   ASN 309          2HB       ASN 309   8.944   8.109   4.511
  251   1HD2  ASN 309          1HD2      ASN 309  12.101   7.845   3.039
  252   2HD2  ASN 309          2HD2      ASN 309  12.927   7.296   4.454
  253    H    TYR 310           H        TYR 310   7.728   6.483   2.976
  254    HA   TYR 310           HA       TYR 310   8.968   4.003   3.477
  255   1HB   TYR 310          1HB       TYR 310   6.705   4.571   4.259
  256   2HB   TYR 310          2HB       TYR 310   6.130   4.572   2.596
  257    HD1  TYR 310           HD1      TYR 310   5.401   2.585   1.583
  258    HD2  TYR 310           HD2      TYR 310   7.596   2.390   5.221
  259    HE1  TYR 310           HE1      TYR 310   4.892   0.187   1.754
  260    HE2  TYR 310           HE2      TYR 310   7.095  -0.011   5.402
  261    HH   TYR 310           HH       TYR 310   5.787  -1.815   2.826
  262    H    VAL 311           H        VAL 311   7.165   5.118   0.606
  263    HA   VAL 311           HA       VAL 311   7.560   2.856  -0.973
  264    HB   VAL 311           HB       VAL 311   7.312   5.722  -1.902
  265   1HG1  VAL 311          1HG1      VAL 311   8.135   4.281  -3.674
  266   2HG1  VAL 311          2HG1      VAL 311   6.463   4.741  -3.989
  267   3HG1  VAL 311          3HG1      VAL 311   6.832   3.132  -3.372
  268   1HG2  VAL 311          1HG2      VAL 311   4.924   5.212  -2.135
  269   2HG2  VAL 311          2HG2      VAL 311   5.465   5.067  -0.461
  270   3HG2  VAL 311          3HG2      VAL 311   5.202   3.619  -1.433
  271    H    ASN 312           H        ASN 312   9.483   5.847  -0.830
  272    HA   ASN 312           HA       ASN 312  11.396   5.087  -2.743
  273   1HB   ASN 312          1HB       ASN 312  11.102   7.411  -1.978
  274   2HB   ASN 312          2HB       ASN 312  11.719   6.967  -0.391
  275   1HD2  ASN 312          1HD2      ASN 312  13.907   6.508  -0.143
  276   2HD2  ASN 312          2HD2      ASN 312  15.079   6.980  -1.322
  277    H    LYS 313           H        LYS 313  11.078   4.402   0.665
  278    HA   LYS 313           HA       LYS 313  13.709   3.524   1.164
  279   1HB   LYS 313          1HB       LYS 313  12.076   4.044   2.943
  280   2HB   LYS 313          2HB       LYS 313  11.142   2.627   2.487
  281   1HG   LYS 313          1HG       LYS 313  13.008   1.186   3.100
  282   2HG   LYS 313          2HG       LYS 313  13.967   2.602   3.532
  283   1HD   LYS 313          1HD       LYS 313  12.306   3.182   5.249
  284   2HD   LYS 313          2HD       LYS 313  11.383   1.738   4.830
  285   1HE   LYS 313          1HE       LYS 313  14.211   1.786   5.878
  286   2HE   LYS 313          2HE       LYS 313  12.774   1.378   6.813
  287   1HZ   LYS 313          1HZ       LYS 313  12.400  -0.507   5.349
  288   2HZ   LYS 313          2HZ       LYS 313  13.932  -0.602   6.060
  289   3HZ   LYS 313          3HZ       LYS 313  13.777  -0.114   4.448
  290    H    ILE 314           H        ILE 314  10.766   1.697   0.332
  291    HA   ILE 314           HA       ILE 314  12.060  -0.819   0.185
  292    HB   ILE 314           HB       ILE 314   9.487   0.089  -1.114
  293   1HG1  ILE 314          1HG1      ILE 314   9.955  -1.460   1.443
  294   2HG1  ILE 314          2HG1      ILE 314   9.544   0.251   1.365
  295   1HG2  ILE 314          1HG2      ILE 314   8.946  -2.289  -1.295
  296   2HG2  ILE 314          2HG2      ILE 314  10.538  -2.702  -0.655
  297   3HG2  ILE 314          3HG2      ILE 314  10.397  -1.890  -2.215
  298   1HD1  ILE 314          1HD1      ILE 314   7.819  -1.998   0.357
  299   2HD1  ILE 314          2HD1      ILE 314   7.406  -0.282   0.366
  300   3HD1  ILE 314          3HD1      ILE 314   7.613  -1.149   1.889
  301    H    LYS 315           H        LYS 315  11.494   1.736  -2.151
  302    HA   LYS 315           HA       LYS 315  12.186   0.236  -4.459
  303   1HB   LYS 315          1HB       LYS 315  10.868   2.341  -4.508
  304   2HB   LYS 315          2HB       LYS 315  12.315   3.228  -4.052
  305   1HG   LYS 315          1HG       LYS 315  13.404   2.582  -6.113
  306   2HG   LYS 315          2HG       LYS 315  12.012   1.594  -6.563
  307   1HD   LYS 315          1HD       LYS 315  10.609   3.619  -6.584
  308   2HD   LYS 315          2HD       LYS 315  12.028   4.590  -6.185
  309   1HE   LYS 315          1HE       LYS 315  11.678   2.905  -8.664
  310   2HE   LYS 315          2HE       LYS 315  11.532   4.660  -8.581
  311   1HZ   LYS 315          1HZ       LYS 315  13.701   3.978  -9.401
  312   2HZ   LYS 315          2HZ       LYS 315  13.991   3.105  -7.981
  313   3HZ   LYS 315          3HZ       LYS 315  13.849   4.789  -7.923
  314    H    ASN 316           H        ASN 316  14.028   2.047  -2.103
  315    HA   ASN 316           HA       ASN 316  16.445   2.067  -3.663
  316   1HB   ASN 316          1HB       ASN 316  16.000   3.840  -2.028
  317   2HB   ASN 316          2HB       ASN 316  16.002   2.654  -0.727
  318   1HD2  ASN 316          1HD2      ASN 316  17.946   1.724  -0.081
  319   2HD2  ASN 316          2HD2      ASN 316  19.474   2.415  -0.496
  320    H    ARG 317           H        ARG 317  15.279   0.272  -0.825
  321    HA   ARG 317           HA       ARG 317  17.603  -1.291  -0.482
  322   1HB   ARG 317          1HB       ARG 317  14.749  -1.867   0.328
  323   2HB   ARG 317          2HB       ARG 317  16.154  -2.758   0.895
  324   1HG   ARG 317          1HG       ARG 317  15.706   0.187   1.337
  325   2HG   ARG 317          2HG       ARG 317  15.326  -1.079   2.507
  326   1HD   ARG 317          1HD       ARG 317  17.665  -1.735   2.587
  327   2HD   ARG 317          2HD       ARG 317  18.063  -0.533   1.361
  328    HE   ARG 317           HE       ARG 317  16.816   0.737   3.536
  329   1HH1  ARG 317          1HH1      ARG 317  19.802  -0.854   2.705
  330   2HH1  ARG 317          2HH1      ARG 317  20.748   0.052   3.838
  331   1HH2  ARG 317          1HH2      ARG 317  18.054   1.933   5.029
  332   2HH2  ARG 317          2HH2      ARG 317  19.755   1.635   5.158
  333    H    PHE 318           H        PHE 318  14.473  -2.110  -1.977
  334    HA   PHE 318           HA       PHE 318  15.600  -4.544  -3.092
  335   1HB   PHE 318          1HB       PHE 318  12.824  -3.355  -3.253
  336   2HB   PHE 318          2HB       PHE 318  13.286  -4.902  -3.955
  337    HD1  PHE 318           HD1      PHE 318  12.688  -3.072  -0.836
  338    HD2  PHE 318           HD2      PHE 318  13.628  -6.838  -2.581
  339    HE1  PHE 318           HE1      PHE 318  12.202  -4.183   1.306
  340    HE2  PHE 318           HE2      PHE 318  13.144  -7.955  -0.443
  341    HZ   PHE 318           HZ       PHE 318  12.430  -6.628   1.504
  342    H    GLN 319           H        GLN 319  16.573  -1.914  -3.986
  343    HA   GLN 319           HA       GLN 319  15.568  -1.171  -6.480
  344   1HB   GLN 319          1HB       GLN 319  17.166   0.191  -5.222
  345   2HB   GLN 319          2HB       GLN 319  18.414  -1.023  -5.468
  346   1HG   GLN 319          1HG       GLN 319  18.352  -0.623  -7.866
  347   2HG   GLN 319          2HG       GLN 319  17.066   0.562  -7.646
  348   1HE2  GLN 319          1HE2      GLN 319  19.738   0.227  -5.430
  349   2HE2  GLN 319          2HE2      GLN 319  20.508   1.723  -5.822
  350    H    GLY 320           H        GLY 320  17.648  -3.811  -5.554
  351   1HA   GLY 320          1HA       GLY 320  18.585  -4.409  -8.192
  352   2HA   GLY 320          2HA       GLY 320  18.697  -5.455  -6.785
  353    H    GLN 321           H        GLN 321  15.920  -5.577  -6.187
  354    HA   GLN 321           HA       GLN 321  15.022  -7.265  -8.414
  355   1HB   GLN 321          1HB       GLN 321  14.341  -7.303  -5.474
  356   2HB   GLN 321          2HB       GLN 321  13.518  -8.285  -6.673
  357   1HG   GLN 321          1HG       GLN 321  15.145  -9.650  -5.627
  358   2HG   GLN 321          2HG       GLN 321  15.721  -9.295  -7.253
  359   1HE2  GLN 321          1HE2      GLN 321  15.822  -7.005  -4.614
  360   2HE2  GLN 321          2HE2      GLN 321  17.540  -6.982  -4.444
  361    HA   PRO 322           HA       PRO 322  12.086  -3.758  -8.722
  362   1HB   PRO 322          1HB       PRO 322  11.480  -4.150 -11.334
  363   2HB   PRO 322          2HB       PRO 322  12.921  -3.272 -10.808
  364   1HG   PRO 322          1HG       PRO 322  12.658  -6.112 -11.717
  365   2HG   PRO 322          2HG       PRO 322  13.905  -4.917 -12.123
  366   1HD   PRO 322          1HD       PRO 322  14.284  -6.856 -10.264
  367   2HD   PRO 322          2HD       PRO 322  15.051  -5.259 -10.154
  368    H    ASP 323           H        ASP 323  11.783  -7.145  -9.347
  369    HA   ASP 323           HA       ASP 323   9.058  -7.294 -10.003
  370   1HB   ASP 323          1HB       ASP 323   9.211  -9.650  -9.256
  371   2HB   ASP 323          2HB       ASP 323  10.543  -9.196 -10.315
  372    H    ILE 324           H        ILE 324  10.723  -7.273  -6.886
  373    HA   ILE 324           HA       ILE 324   8.506  -7.823  -5.255
  374    HB   ILE 324           HB       ILE 324  10.885  -6.096  -4.558
  375   1HG1  ILE 324          1HG1      ILE 324  11.598  -8.277  -5.425
  376   2HG1  ILE 324          2HG1      ILE 324  11.911  -8.156  -3.697
  377   1HG2  ILE 324          1HG2      ILE 324   8.965  -7.642  -2.822
  378   2HG2  ILE 324          2HG2      ILE 324   9.090  -5.888  -2.951
  379   3HG2  ILE 324          3HG2      ILE 324  10.415  -6.816  -2.251
  380   1HD1  ILE 324          1HD1      ILE 324   9.598  -9.605  -4.965
  381   2HD1  ILE 324          2HD1      ILE 324   9.938  -9.503  -3.237
  382   3HD1  ILE 324          3HD1      ILE 324  11.056 -10.348  -4.308
  383    H    TYR 325           H        TYR 325   9.778  -4.788  -6.536
  384    HA   TYR 325           HA       TYR 325   8.093  -3.046  -5.099
  385   1HB   TYR 325          1HB       TYR 325  10.167  -2.383  -6.337
  386   2HB   TYR 325          2HB       TYR 325   9.283  -2.594  -7.844
  387    HD1  TYR 325           HD1      TYR 325   8.543  -0.652  -8.819
  388    HD2  TYR 325           HD2      TYR 325   8.748  -0.844  -4.573
  389    HE1  TYR 325           HE1      TYR 325   7.752   1.672  -8.681
  390    HE2  TYR 325           HE2      TYR 325   7.955   1.479  -4.424
  391    HH   TYR 325           HH       TYR 325   7.878   3.490  -5.806
  392    H    LYS 326           H        LYS 326   7.839  -4.239  -8.450
  393    HA   LYS 326           HA       LYS 326   5.333  -3.106  -8.995
  394   1HB   LYS 326          1HB       LYS 326   6.610  -5.584 -10.170
  395   2HB   LYS 326          2HB       LYS 326   5.209  -4.759 -10.840
  396   1HG   LYS 326          1HG       LYS 326   6.557  -2.755 -11.203
  397   2HG   LYS 326          2HG       LYS 326   7.963  -3.581 -10.528
  398   1HD   LYS 326          1HD       LYS 326   8.127  -3.689 -12.910
  399   2HD   LYS 326          2HD       LYS 326   7.714  -5.302 -12.326
  400   1HE   LYS 326          1HE       LYS 326   6.396  -4.771 -14.285
  401   2HE   LYS 326          2HE       LYS 326   5.352  -4.870 -12.868
  402   1HZ   LYS 326          1HZ       LYS 326   5.368  -2.456 -12.735
  403   2HZ   LYS 326          2HZ       LYS 326   4.797  -2.966 -14.243
  404   3HZ   LYS 326          3HZ       LYS 326   6.371  -2.363 -14.094
  405    H    ALA 327           H        ALA 327   6.241  -5.957  -7.246
  406    HA   ALA 327           HA       ALA 327   3.744  -7.306  -7.377
  407   1HB   ALA 327          1HB       ALA 327   5.916  -8.371  -6.762
  408   2HB   ALA 327          2HB       ALA 327   4.596  -8.726  -5.647
  409   3HB   ALA 327          3HB       ALA 327   5.826  -7.540  -5.208
  410    H    PHE 328           H        PHE 328   5.243  -5.272  -4.869
  411    HA   PHE 328           HA       PHE 328   3.118  -5.286  -3.059
  412   1HB   PHE 328          1HB       PHE 328   5.330  -4.460  -2.459
  413   2HB   PHE 328          2HB       PHE 328   5.174  -3.133  -3.602
  414    HD1  PHE 328           HD1      PHE 328   5.109  -1.167  -2.431
  415    HD2  PHE 328           HD2      PHE 328   2.844  -4.478  -1.011
  416    HE1  PHE 328           HE1      PHE 328   4.157   0.249  -0.660
  417    HE2  PHE 328           HE2      PHE 328   1.889  -3.067   0.764
  418    HZ   PHE 328           HZ       PHE 328   2.545  -0.701   0.940
  419    H    LEU 329           H        LEU 329   3.879  -2.971  -5.651
  420    HA   LEU 329           HA       LEU 329   1.671  -1.290  -5.277
  421   1HB   LEU 329          1HB       LEU 329   3.176  -1.942  -7.813
  422   2HB   LEU 329          2HB       LEU 329   2.035  -0.622  -7.645
  423    HG   LEU 329           HG       LEU 329   4.634  -0.894  -6.131
  424   1HD1  LEU 329          1HD1      LEU 329   5.348   1.018  -7.486
  425   2HD1  LEU 329          2HD1      LEU 329   3.837   0.936  -8.390
  426   3HD1  LEU 329          3HD1      LEU 329   4.992  -0.394  -8.480
  427   1HD2  LEU 329          1HD2      LEU 329   2.585   1.321  -6.162
  428   2HD2  LEU 329          2HD2      LEU 329   4.167   1.402  -5.387
  429   3HD2  LEU 329          3HD2      LEU 329   2.959   0.256  -4.805
  430    H    GLU 330           H        GLU 330   2.054  -4.288  -7.073
  431    HA   GLU 330           HA       GLU 330  -0.410  -4.229  -8.442
  432   1HB   GLU 330          1HB       GLU 330   1.454  -5.747  -9.019
  433   2HB   GLU 330          2HB       GLU 330   1.183  -6.632  -7.525
  434   1HG   GLU 330          1HG       GLU 330   0.203  -7.827  -9.360
  435   2HG   GLU 330          2HG       GLU 330  -1.073  -7.218  -8.307
  436    H    ILE 331           H        ILE 331   0.515  -5.358  -5.238
  437    HA   ILE 331           HA       ILE 331  -1.903  -6.676  -4.606
  438    HB   ILE 331           HB       ILE 331   0.145  -5.401  -2.787
  439   1HG1  ILE 331          1HG1      ILE 331  -0.321  -8.296  -3.542
  440   2HG1  ILE 331          2HG1      ILE 331   0.966  -7.276  -4.179
  441   1HG2  ILE 331          1HG2      ILE 331  -2.150  -7.237  -2.109
  442   2HG2  ILE 331          2HG2      ILE 331  -1.972  -5.551  -1.625
  443   3HG2  ILE 331          3HG2      ILE 331  -0.863  -6.770  -0.998
  444   1HD1  ILE 331          1HD1      ILE 331   1.759  -8.776  -2.424
  445   2HD1  ILE 331          2HD1      ILE 331   0.623  -8.046  -1.290
  446   3HD1  ILE 331          3HD1      ILE 331   1.937  -7.081  -1.966
  447    H    LEU 332           H        LEU 332  -0.734  -3.399  -3.848
  448    HA   LEU 332           HA       LEU 332  -3.029  -2.553  -2.473
  449   1HB   LEU 332          1HB       LEU 332  -1.214  -0.786  -4.099
  450   2HB   LEU 332          2HB       LEU 332  -2.193  -0.324  -2.720
  451    HG   LEU 332           HG       LEU 332   0.291  -2.032  -2.704
  452   1HD1  LEU 332          1HD1      LEU 332  -0.378   0.651  -1.511
  453   2HD1  LEU 332          2HD1      LEU 332   0.735   0.328  -2.841
  454   3HD1  LEU 332          3HD1      LEU 332   1.113  -0.242  -1.216
  455   1HD2  LEU 332          1HD2      LEU 332  -1.535  -1.369  -0.394
  456   2HD2  LEU 332          2HD2      LEU 332   0.004  -2.226  -0.294
  457   3HD2  LEU 332          3HD2      LEU 332  -1.358  -2.957  -1.141
  458    H    HIS 333           H        HIS 333  -2.153  -2.302  -5.902
  459    HA   HIS 333           HA       HIS 333  -4.333  -0.772  -6.750
  460   1HB   HIS 333          1HB       HIS 333  -2.492  -2.704  -8.105
  461   2HB   HIS 333          2HB       HIS 333  -3.905  -2.116  -8.973
  462    HD1  HIS 333           HD1      HIS 333  -3.145  -0.357 -10.522
  463    HD2  HIS 333           HD2      HIS 333  -1.244  -0.083  -6.837
  464    HE1  HIS 333           HE1      HIS 333  -1.684   1.684 -10.670
  465    HE2  HIS 333           HE2      HIS 333  -0.555   1.840  -8.424
  466    H    THR 334           H        THR 334  -3.952  -4.307  -6.607
  467    HA   THR 334           HA       THR 334  -6.474  -4.983  -7.620
  468    HB   THR 334           HB       THR 334  -4.856  -6.520  -5.577
  469    HG1  THR 334           HG1      THR 334  -3.900  -7.495  -7.364
  470   1HG2  THR 334          1HG2      THR 334  -6.023  -8.483  -6.459
  471   2HG2  THR 334          2HG2      THR 334  -6.961  -7.447  -7.535
  472   3HG2  THR 334          3HG2      THR 334  -7.163  -7.318  -5.788
  473    H    TYR 335           H        TYR 335  -5.383  -4.275  -4.348
  474    HA   TYR 335           HA       TYR 335  -7.780  -4.933  -3.013
  475   1HB   TYR 335          1HB       TYR 335  -5.684  -4.729  -1.807
  476   2HB   TYR 335          2HB       TYR 335  -5.540  -3.038  -2.270
  477    HD1  TYR 335           HD1      TYR 335  -6.689  -1.328  -1.072
  478    HD2  TYR 335           HD2      TYR 335  -7.390  -5.420  -0.145
  479    HE1  TYR 335           HE1      TYR 335  -7.859  -0.653   0.981
  480    HE2  TYR 335           HE2      TYR 335  -8.572  -4.758   1.908
  481    HH   TYR 335           HH       TYR 335  -9.613  -1.634   2.504
  482    H    GLN 336           H        GLN 336  -6.667  -2.055  -4.662
  483    HA   GLN 336           HA       GLN 336  -8.686  -0.308  -3.663
  484   1HB   GLN 336          1HB       GLN 336  -6.529   0.486  -4.582
  485   2HB   GLN 336          2HB       GLN 336  -7.024  -0.065  -6.176
  486   1HG   GLN 336          1HG       GLN 336  -8.922   1.502  -6.097
  487   2HG   GLN 336          2HG       GLN 336  -8.342   2.087  -4.540
  488   1HE2  GLN 336          1HE2      GLN 336  -5.535   1.837  -5.346
  489   2HE2  GLN 336          2HE2      GLN 336  -5.229   3.165  -6.407
  490    H    LYS 337           H        LYS 337  -8.296  -2.146  -6.675
  491    HA   LYS 337           HA       LYS 337 -10.658  -1.249  -7.917
  492   1HB   LYS 337          1HB       LYS 337  -9.244  -3.892  -8.293
  493   2HB   LYS 337          2HB       LYS 337 -10.396  -3.163  -9.402
  494   1HG   LYS 337          1HG       LYS 337  -8.878  -1.342  -9.851
  495   2HG   LYS 337          2HG       LYS 337  -7.737  -1.965  -8.657
  496   1HD   LYS 337          1HD       LYS 337  -7.493  -4.020  -9.991
  497   2HD   LYS 337          2HD       LYS 337  -8.594  -3.352 -11.198
  498   1HE   LYS 337          1HE       LYS 337  -5.936  -2.182 -10.379
  499   2HE   LYS 337          2HE       LYS 337  -6.259  -3.074 -11.865
  500   1HZ   LYS 337          1HZ       LYS 337  -7.827  -1.344 -12.510
  501   2HZ   LYS 337          2HZ       LYS 337  -6.285  -0.698 -12.255
  502   3HZ   LYS 337          3HZ       LYS 337  -7.491  -0.485 -11.092
  503    H    GLU 338           H        GLU 338  -9.987  -4.079  -5.892
  504    HA   GLU 338           HA       GLU 338 -12.585  -5.187  -6.082
  505   1HB   GLU 338          1HB       GLU 338 -10.430  -5.556  -3.997
  506   2HB   GLU 338          2HB       GLU 338 -11.901  -6.516  -4.081
  507   1HG   GLU 338          1HG       GLU 338  -9.777  -6.357  -6.208
  508   2HG   GLU 338          2HG       GLU 338 -10.006  -7.681  -5.068
  509    H    GLN 339           H        GLN 339 -11.086  -2.926  -3.821
  510    HA   GLN 339           HA       GLN 339 -13.166  -2.901  -1.916
  511   1HB   GLN 339          1HB       GLN 339 -10.856  -1.979  -1.578
  512   2HB   GLN 339          2HB       GLN 339 -11.306  -0.616  -2.593
  513   1HG   GLN 339          1HG       GLN 339 -13.130  -0.098  -0.991
  514   2HG   GLN 339          2HG       GLN 339 -12.518  -1.381   0.051
  515   1HE2  GLN 339          1HE2      GLN 339 -11.957   1.798  -1.218
  516   2HE2  GLN 339          2HE2      GLN 339 -10.681   2.228  -0.136
  517    H    ARG 340           H        ARG 340 -12.461  -0.668  -4.601
  518    HA   ARG 340           HA       ARG 340 -14.708   0.968  -4.289
  519   1HB   ARG 340          1HB       ARG 340 -12.805   1.591  -5.692
  520   2HB   ARG 340          2HB       ARG 340 -13.182   0.286  -6.809
  521   1HG   ARG 340          1HG       ARG 340 -15.295   1.360  -7.370
  522   2HG   ARG 340          2HG       ARG 340 -14.940   2.661  -6.232
  523   1HD   ARG 340          1HD       ARG 340 -12.988   3.295  -7.528
  524   2HD   ARG 340          2HD       ARG 340 -13.264   1.953  -8.638
  525    HE   ARG 340           HE       ARG 340 -15.562   3.573  -8.549
  526   1HH1  ARG 340          1HH1      ARG 340 -12.274   3.630  -9.702
  527   2HH1  ARG 340          2HH1      ARG 340 -12.615   4.721 -11.004
  528   1HH2  ARG 340          1HH2      ARG 340 -16.019   5.008 -10.259
  529   2HH2  ARG 340          2HH2      ARG 340 -14.745   5.502 -11.322
  530    H    ASN 341           H        ASN 341 -14.244  -2.017  -6.111
  531    HA   ASN 341           HA       ASN 341 -16.671  -2.069  -7.494
  532   1HB   ASN 341          1HB       ASN 341 -14.756  -3.616  -7.890
  533   2HB   ASN 341          2HB       ASN 341 -15.153  -4.444  -6.390
  534   1HD2  ASN 341          1HD2      ASN 341 -15.559  -6.385  -7.397
  535   2HD2  ASN 341          2HD2      ASN 341 -16.955  -6.654  -8.378
  536    H    ALA 342           H        ALA 342 -15.821  -3.581  -4.399
  537    HA   ALA 342           HA       ALA 342 -18.356  -4.596  -3.791
  538   1HB   ALA 342          1HB       ALA 342 -16.178  -3.739  -1.890
  539   2HB   ALA 342          2HB       ALA 342 -16.323  -5.322  -2.654
  540   3HB   ALA 342          3HB       ALA 342 -17.542  -4.786  -1.497
  541    H    LYS 343           H        LYS 343 -16.973  -1.409  -3.301
  542    HA   LYS 343           HA       LYS 343 -18.923  -0.454  -1.484
  543   1HB   LYS 343          1HB       LYS 343 -16.719   0.616  -1.819
  544   2HB   LYS 343          2HB       LYS 343 -17.222   1.117  -3.427
  545   1HG   LYS 343          1HG       LYS 343 -19.053   2.432  -2.387
  546   2HG   LYS 343          2HG       LYS 343 -18.397   2.012  -0.804
  547   1HD   LYS 343          1HD       LYS 343 -16.268   3.079  -1.426
  548   2HD   LYS 343          2HD       LYS 343 -16.963   3.531  -2.983
  549   1HE   LYS 343          1HE       LYS 343 -18.693   4.833  -1.794
  550   2HE   LYS 343          2HE       LYS 343 -17.913   4.430  -0.265
  551   1HZ   LYS 343          1HZ       LYS 343 -17.260   6.620  -1.063
  552   2HZ   LYS 343          2HZ       LYS 343 -16.652   5.943  -2.489
  553   3HZ   LYS 343          3HZ       LYS 343 -15.928   5.578  -1.005
  554    H    GLU 344           H        GLU 344 -18.633  -0.236  -5.015
  555    HA   GLU 344           HA       GLU 344 -20.998   1.300  -5.370
  556   1HB   GLU 344          1HB       GLU 344 -19.139   1.188  -7.020
  557   2HB   GLU 344          2HB       GLU 344 -19.590  -0.474  -7.373
  558   1HG   GLU 344          1HG       GLU 344 -20.458   1.013  -9.063
  559   2HG   GLU 344          2HG       GLU 344 -21.779   0.287  -8.150
  560    H    ALA 345           H        ALA 345 -20.286  -2.151  -5.456
  561    HA   ALA 345           HA       ALA 345 -23.050  -2.794  -6.101
  562   1HB   ALA 345          1HB       ALA 345 -20.692  -4.614  -5.619
  563   2HB   ALA 345          2HB       ALA 345 -21.266  -4.060  -7.193
  564   3HB   ALA 345          3HB       ALA 345 -22.280  -5.109  -6.203
  565    H    GLY 346           H        GLY 346 -22.153  -1.555  -3.507
  566   1HA   GLY 346          1HA       GLY 346 -22.233  -3.360  -1.390
  567   2HA   GLY 346          2HA       GLY 346 -22.756  -1.685  -1.299
  568    H    GLY 347           H        GLY 347 -23.730  -4.971  -1.442
  569   1HA   GLY 347          1HA       GLY 347 -26.321  -4.439  -0.487
  570   2HA   GLY 347          2HA       GLY 347 -26.412  -4.709  -2.220
  571    H    ASN 348           H        ASN 348 -25.387  -6.746  -3.016
  572    HA   ASN 348           HA       ASN 348 -25.651  -8.904  -1.027
  573   1HB   ASN 348          1HB       ASN 348 -26.541 -10.326  -2.878
  574   2HB   ASN 348          2HB       ASN 348 -27.592  -8.976  -2.462
  575   1HD2  ASN 348          1HD2      ASN 348 -27.779  -7.240  -3.885
  576   2HD2  ASN 348          2HD2      ASN 348 -27.301  -7.362  -5.541
  577    H    TYR 349           H        TYR 349 -23.547  -7.302  -2.938
  578    HA   TYR 349           HA       TYR 349 -22.050  -9.577  -3.928
  579   1HB   TYR 349          1HB       TYR 349 -22.154  -7.522  -5.266
  580   2HB   TYR 349          2HB       TYR 349 -21.401  -6.621  -3.955
  581    HD1  TYR 349           HD1      TYR 349 -20.834  -9.207  -6.528
  582    HD2  TYR 349           HD2      TYR 349 -19.039  -6.673  -3.620
  583    HE1  TYR 349           HE1      TYR 349 -18.615  -9.726  -7.454
  584    HE2  TYR 349           HE2      TYR 349 -16.816  -7.185  -4.538
  585    HH   TYR 349           HH       TYR 349 -16.373  -8.742  -7.526
  586    H    THR 350           H        THR 350 -20.146 -10.351  -3.122
  587    HA   THR 350           HA       THR 350 -19.356  -9.319  -0.481
  588    HB   THR 350           HB       THR 350 -20.169 -11.576  -0.294
  589    HG1  THR 350           HG1      THR 350 -17.586 -10.905   0.213
  590   1HG2  THR 350          1HG2      THR 350 -19.100 -13.440  -1.511
  591   2HG2  THR 350          2HG2      THR 350 -18.159 -12.273  -2.439
  592   3HG2  THR 350          3HG2      THR 350 -19.916 -12.312  -2.593
  593    HA   PRO 351           HA       PRO 351 -15.525  -8.144  -2.451
  594   1HB   PRO 351          1HB       PRO 351 -14.425  -7.968   0.269
  595   2HB   PRO 351          2HB       PRO 351 -14.636  -6.697  -0.939
  596   1HG   PRO 351          1HG       PRO 351 -16.155  -6.817   1.277
  597   2HG   PRO 351          2HG       PRO 351 -16.793  -6.235  -0.271
  598   1HD   PRO 351          1HD       PRO 351 -17.139  -8.907   1.038
  599   2HD   PRO 351          2HD       PRO 351 -18.330  -7.915   0.169
  600    H    ALA 352           H        ALA 352 -13.201  -8.770  -2.363
  601    HA   ALA 352           HA       ALA 352 -12.854 -11.535  -1.401
  602   1HB   ALA 352          1HB       ALA 352 -11.533 -12.025  -3.385
  603   2HB   ALA 352          2HB       ALA 352 -11.784 -10.382  -3.975
  604   3HB   ALA 352          3HB       ALA 352 -13.151 -11.486  -3.834
  605    H    LEU 353           H        LEU 353 -11.286  -8.484  -2.235
  606    HA   LEU 353           HA       LEU 353  -8.846  -9.287  -0.850
  607   1HB   LEU 353          1HB       LEU 353  -9.605  -7.073  -2.698
  608   2HB   LEU 353          2HB       LEU 353  -8.263  -6.814  -1.601
  609    HG   LEU 353           HG       LEU 353  -7.621  -7.589  -3.895
  610   1HD1  LEU 353          1HD1      LEU 353  -6.011  -9.295  -3.081
  611   2HD1  LEU 353          2HD1      LEU 353  -6.860  -9.298  -1.535
  612   3HD1  LEU 353          3HD1      LEU 353  -6.059  -7.831  -2.097
  613   1HD2  LEU 353          1HD2      LEU 353  -8.787 -10.217  -2.987
  614   2HD2  LEU 353          2HD2      LEU 353  -7.932  -9.905  -4.497
  615   3HD2  LEU 353          3HD2      LEU 353  -9.504  -9.161  -4.203
  616    H    THR 354           H        THR 354  -8.881  -9.080   1.286
  617    HA   THR 354           HA       THR 354 -10.180  -6.705   2.450
  618    HB   THR 354           HB       THR 354 -10.463  -7.971   4.515
  619    HG1  THR 354           HG1      THR 354  -9.961 -10.283   4.404
  620   1HG2  THR 354          1HG2      THR 354 -11.449  -9.538   2.127
  621   2HG2  THR 354          2HG2      THR 354 -12.227  -8.107   2.804
  622   3HG2  THR 354          3HG2      THR 354 -12.124  -9.588   3.755
  623    H    GLU 355           H        GLU 355  -9.200  -6.269   4.744
  624    HA   GLU 355           HA       GLU 355  -6.581  -5.334   4.370
  625   1HB   GLU 355          1HB       GLU 355  -8.131  -5.760   6.930
  626   2HB   GLU 355          2HB       GLU 355  -6.640  -4.837   6.801
  627   1HG   GLU 355          1HG       GLU 355  -7.715  -3.235   5.346
  628   2HG   GLU 355          2HG       GLU 355  -9.198  -4.188   5.356
  629    H    GLN 356           H        GLN 356  -7.824  -8.167   6.095
  630    HA   GLN 356           HA       GLN 356  -5.351  -9.017   7.153
  631   1HB   GLN 356          1HB       GLN 356  -7.826 -10.622   6.498
  632   2HB   GLN 356          2HB       GLN 356  -6.481 -11.196   7.472
  633   1HG   GLN 356          1HG       GLN 356  -6.917  -9.389   9.088
  634   2HG   GLN 356          2HG       GLN 356  -8.313  -8.902   8.128
  635   1HE2  GLN 356          1HE2      GLN 356  -6.987 -11.316  10.245
  636   2HE2  GLN 356          2HE2      GLN 356  -8.473 -12.129  10.584
  637    H    GLU 357           H        GLU 357  -7.109  -9.974   4.216
  638    HA   GLU 357           HA       GLU 357  -5.366 -11.944   3.317
  639   1HB   GLU 357          1HB       GLU 357  -7.618 -11.417   2.362
  640   2HB   GLU 357          2HB       GLU 357  -6.907 -10.016   1.573
  641   1HG   GLU 357          1HG       GLU 357  -5.515 -11.391   0.215
  642   2HG   GLU 357          2HG       GLU 357  -5.959 -12.834   1.125
  643    H    VAL 358           H        VAL 358  -5.269  -8.438   2.815
  644    HA   VAL 358           HA       VAL 358  -3.071  -8.417   1.048
  645    HB   VAL 358           HB       VAL 358  -4.124  -6.304   2.930
  646   1HG1  VAL 358          1HG1      VAL 358  -1.925  -6.074   0.879
  647   2HG1  VAL 358          2HG1      VAL 358  -1.779  -5.837   2.620
  648   3HG1  VAL 358          3HG1      VAL 358  -2.723  -4.705   1.652
  649   1HG2  VAL 358          1HG2      VAL 358  -4.254  -6.577  -0.067
  650   2HG2  VAL 358          2HG2      VAL 358  -4.965  -5.280   0.893
  651   3HG2  VAL 358          3HG2      VAL 358  -5.571  -6.929   1.052
  652    H    TYR 359           H        TYR 359  -3.236  -7.879   4.567
  653    HA   TYR 359           HA       TYR 359  -0.564  -7.486   5.101
  654   1HB   TYR 359          1HB       TYR 359  -2.375  -7.284   6.773
  655   2HB   TYR 359          2HB       TYR 359  -2.535  -9.036   6.799
  656    HD1  TYR 359           HD1      TYR 359  -0.280  -6.226   7.637
  657    HD2  TYR 359           HD2      TYR 359  -1.078 -10.379   8.103
  658    HE1  TYR 359           HE1      TYR 359   1.418  -6.347   9.413
  659    HE2  TYR 359           HE2      TYR 359   0.617 -10.512   9.879
  660    HH   TYR 359           HH       TYR 359   1.925  -7.801  11.380
  661    H    ALA 360           H        ALA 360  -2.284 -10.518   4.583
  662    HA   ALA 360           HA       ALA 360  -0.160 -12.243   5.312
  663   1HB   ALA 360          1HB       ALA 360  -2.505 -12.965   5.197
  664   2HB   ALA 360          2HB       ALA 360  -1.446 -13.993   4.231
  665   3HB   ALA 360          3HB       ALA 360  -2.463 -12.787   3.442
  666    H    GLN 361           H        GLN 361  -1.361 -11.269   2.089
  667    HA   GLN 361           HA       GLN 361   0.593 -12.554   0.578
  668   1HB   GLN 361          1HB       GLN 361  -0.887  -9.986  -0.021
  669   2HB   GLN 361          2HB       GLN 361   0.039 -10.906  -1.200
  670   1HG   GLN 361          1HG       GLN 361  -1.457 -12.808  -0.899
  671   2HG   GLN 361          2HG       GLN 361  -2.379 -11.896   0.294
  672   1HE2  GLN 361          1HE2      GLN 361  -1.613 -12.263  -3.073
  673   2HE2  GLN 361          2HE2      GLN 361  -2.887 -11.267  -3.681
  674    H    VAL 362           H        VAL 362   0.535  -9.185   1.720
  675    HA   VAL 362           HA       VAL 362   3.008  -8.395   0.702
  676    HB   VAL 362           HB       VAL 362   1.763  -7.431   3.285
  677   1HG1  VAL 362          1HG1      VAL 362   4.086  -6.735   2.963
  678   2HG1  VAL 362          2HG1      VAL 362   2.982  -5.365   2.832
  679   3HG1  VAL 362          3HG1      VAL 362   3.672  -6.083   1.376
  680   1HG2  VAL 362          1HG2      VAL 362   0.561  -5.806   2.034
  681   2HG2  VAL 362          2HG2      VAL 362   0.230  -7.366   1.286
  682   3HG2  VAL 362          3HG2      VAL 362   1.377  -6.256   0.539
  683    H    ALA 363           H        ALA 363   2.155 -10.075   3.676
  684    HA   ALA 363           HA       ALA 363   4.695  -9.953   4.905
  685   1HB   ALA 363          1HB       ALA 363   2.530 -12.027   5.245
  686   2HB   ALA 363          2HB       ALA 363   2.653 -10.510   6.137
  687   3HB   ALA 363          3HB       ALA 363   3.888 -11.754   6.338
  688    H    ARG 364           H        ARG 364   3.229 -12.195   2.625
  689    HA   ARG 364           HA       ARG 364   5.208 -14.199   2.737
  690   1HB   ARG 364          1HB       ARG 364   2.988 -14.551   1.731
  691   2HB   ARG 364          2HB       ARG 364   3.401 -13.439   0.434
  692   1HG   ARG 364          1HG       ARG 364   5.219 -14.947  -0.251
  693   2HG   ARG 364          2HG       ARG 364   4.730 -16.077   1.014
  694   1HD   ARG 364          1HD       ARG 364   2.990 -15.151  -1.270
  695   2HD   ARG 364          2HD       ARG 364   3.844 -16.692  -1.201
  696    HE   ARG 364           HE       ARG 364   1.971 -16.103   0.954
  697   1HH1  ARG 364          1HH1      ARG 364   2.659 -17.795  -2.012
  698   2HH1  ARG 364          2HH1      ARG 364   1.384 -18.950  -1.802
  699   1HH2  ARG 364          1HH2      ARG 364   0.292 -17.622   1.243
  700   2HH2  ARG 364          2HH2      ARG 364   0.037 -18.850   0.048
  701    H    LEU 365           H        LEU 365   4.776 -11.435   0.535
  702    HA   LEU 365           HA       LEU 365   7.045 -11.904  -1.045
  703   1HB   LEU 365          1HB       LEU 365   5.691  -9.291  -0.370
  704   2HB   LEU 365          2HB       LEU 365   6.879  -9.502  -1.641
  705    HG   LEU 365           HG       LEU 365   4.182 -10.857  -1.550
  706   1HD1  LEU 365          1HD1      LEU 365   5.165  -8.543  -3.216
  707   2HD1  LEU 365          2HD1      LEU 365   3.977  -8.459  -1.915
  708   3HD1  LEU 365          3HD1      LEU 365   3.607  -9.351  -3.391
  709   1HD2  LEU 365          1HD2      LEU 365   5.878 -12.178  -2.714
  710   2HD2  LEU 365          2HD2      LEU 365   6.285 -10.782  -3.713
  711   3HD2  LEU 365          3HD2      LEU 365   4.691 -11.525  -3.843
  712    H    PHE 366           H        PHE 366   6.618  -9.794   1.786
  713    HA   PHE 366           HA       PHE 366   9.503  -9.389   1.928
  714   1HB   PHE 366          1HB       PHE 366   7.245  -8.195   3.549
  715   2HB   PHE 366          2HB       PHE 366   8.946  -7.794   3.759
  716    HD1  PHE 366           HD1      PHE 366   5.985  -6.748   2.310
  717    HD2  PHE 366           HD2      PHE 366  10.137  -7.119   1.448
  718    HE1  PHE 366           HE1      PHE 366   5.777  -5.011   0.579
  719    HE2  PHE 366           HE2      PHE 366   9.937  -5.380  -0.281
  720    HZ   PHE 366           HZ       PHE 366   7.756  -4.325  -0.719
  721    H    LYS 367           H        LYS 367  10.234 -11.406   2.583
  722    HA   LYS 367           HA       LYS 367   9.326 -12.319   5.228
  723   1HB   LYS 367          1HB       LYS 367   9.058 -13.964   3.427
  724   2HB   LYS 367          2HB       LYS 367  10.770 -13.845   3.050
  725   1HG   LYS 367          1HG       LYS 367  10.387 -15.845   4.306
  726   2HG   LYS 367          2HG       LYS 367  11.287 -14.709   5.310
  727   1HD   LYS 367          1HD       LYS 367   9.682 -15.520   6.775
  728   2HD   LYS 367          2HD       LYS 367   8.951 -14.022   6.201
  729   1HE   LYS 367          1HE       LYS 367   8.377 -16.756   5.065
  730   2HE   LYS 367          2HE       LYS 367   7.381 -15.948   6.273
  731   1HZ   LYS 367          1HZ       LYS 367   7.906 -15.029   3.499
  732   2HZ   LYS 367          2HZ       LYS 367   7.068 -14.125   4.657
  733   3HZ   LYS 367          3HZ       LYS 367   6.439 -15.599   4.120
  734    H    ASN 368           H        ASN 368  11.928 -10.931   3.526
  735    HA   ASN 368           HA       ASN 368  13.873 -11.697   5.580
  736   1HB   ASN 368          1HB       ASN 368  15.526 -10.585   4.042
  737   2HB   ASN 368          2HB       ASN 368  14.708 -11.984   3.351
  738   1HD2  ASN 368          1HD2      ASN 368  13.145 -11.672   1.755
  739   2HD2  ASN 368          2HD2      ASN 368  13.053 -10.203   0.850
  740    H    GLN 369           H        GLN 369  11.737  -9.210   4.833
  741    HA   GLN 369           HA       GLN 369  13.045  -7.467   6.783
  742   1HB   GLN 369          1HB       GLN 369  12.127  -6.602   4.041
  743   2HB   GLN 369          2HB       GLN 369  12.462  -5.478   5.350
  744   1HG   GLN 369          1HG       GLN 369  14.439  -7.400   4.146
  745   2HG   GLN 369          2HG       GLN 369  14.336  -5.674   3.796
  746   1HE2  GLN 369          1HE2      GLN 369  16.538  -7.229   4.910
  747   2HE2  GLN 369          2HE2      GLN 369  16.911  -6.507   6.435
  748    H    GLU 370           H        GLU 370  11.473  -7.999   8.278
  749    HA   GLU 370           HA       GLU 370   8.671  -7.747   7.697
  750   1HB   GLU 370          1HB       GLU 370  10.106  -7.995  10.350
  751   2HB   GLU 370          2HB       GLU 370   8.372  -8.157  10.109
  752   1HG   GLU 370          1HG       GLU 370  10.478  -9.949   8.921
  753   2HG   GLU 370          2HG       GLU 370   9.486 -10.321  10.329
  754    H    ASP 371           H        ASP 371  11.180  -5.631   8.662
  755    HA   ASP 371           HA       ASP 371   9.911  -3.722  10.199
  756   1HB   ASP 371          1HB       ASP 371  12.003  -3.307   8.055
  757   2HB   ASP 371          2HB       ASP 371  11.565  -2.116   9.276
  758    H    LEU 372           H        LEU 372  10.057  -3.899   6.645
  759    HA   LEU 372           HA       LEU 372   8.597  -1.549   6.157
  760   1HB   LEU 372          1HB       LEU 372   9.029  -4.038   4.522
  761   2HB   LEU 372          2HB       LEU 372   8.057  -2.705   3.932
  762    HG   LEU 372           HG       LEU 372  10.219  -2.477   2.975
  763   1HD1  LEU 372          1HD1      LEU 372  10.954  -0.317   3.800
  764   2HD1  LEU 372          2HD1      LEU 372  10.028  -0.549   5.282
  765   3HD1  LEU 372          3HD1      LEU 372   9.194  -0.393   3.737
  766   1HD2  LEU 372          1HD2      LEU 372  11.402  -2.579   5.744
  767   2HD2  LEU 372          2HD2      LEU 372  12.272  -2.444   4.215
  768   3HD2  LEU 372          3HD2      LEU 372  11.397  -3.925   4.603
  769    H    LEU 373           H        LEU 373   7.560  -4.911   6.554
  770    HA   LEU 373           HA       LEU 373   4.859  -4.565   5.921
  771   1HB   LEU 373          1HB       LEU 373   6.055  -6.752   6.255
  772   2HB   LEU 373          2HB       LEU 373   5.963  -6.469   7.982
  773    HG   LEU 373           HG       LEU 373   3.531  -6.534   7.904
  774   1HD1  LEU 373          1HD1      LEU 373   3.164  -5.603   5.696
  775   2HD1  LEU 373          2HD1      LEU 373   2.364  -7.167   5.839
  776   3HD1  LEU 373          3HD1      LEU 373   3.881  -7.032   4.952
  777   1HD2  LEU 373          1HD2      LEU 373   4.709  -8.625   8.248
  778   2HD2  LEU 373          2HD2      LEU 373   4.817  -8.872   6.504
  779   3HD2  LEU 373          3HD2      LEU 373   3.244  -8.892   7.301
  780    H    SER 374           H        SER 374   6.550  -4.285   9.027
  781    HA   SER 374           HA       SER 374   4.317  -3.804  10.644
  782   1HB   SER 374          1HB       SER 374   6.535  -4.322  11.566
  783   2HB   SER 374          2HB       SER 374   7.149  -2.779  10.975
  784    HG   SER 374           HG       SER 374   6.269  -3.085  13.293
  785    H    GLU 375           H        GLU 375   6.463  -1.550   8.940
  786    HA   GLU 375           HA       GLU 375   5.188   0.811   9.796
  787   1HB   GLU 375          1HB       GLU 375   6.787   0.271   7.286
  788   2HB   GLU 375          2HB       GLU 375   6.331   1.869   7.860
  789   1HG   GLU 375          1HG       GLU 375   8.087  -0.094   9.318
  790   2HG   GLU 375          2HG       GLU 375   8.633   1.331   8.434
  791    H    PHE 376           H        PHE 376   4.445  -1.509   7.326
  792    HA   PHE 376           HA       PHE 376   2.607   0.165   5.893
  793   1HB   PHE 376          1HB       PHE 376   3.708  -1.687   4.751
  794   2HB   PHE 376          2HB       PHE 376   2.992  -2.837   5.874
  795    HD1  PHE 376           HD1      PHE 376   2.131  -0.326   3.277
  796    HD2  PHE 376           HD2      PHE 376   0.924  -3.800   5.418
  797    HE1  PHE 376           HE1      PHE 376   0.192  -0.567   1.784
  798    HE2  PHE 376           HE2      PHE 376  -1.018  -4.049   3.925
  799    HZ   PHE 376           HZ       PHE 376  -1.385  -2.432   2.106
  800    H    GLY 377           H        GLY 377   2.441  -2.059   8.576
  801   1HA   GLY 377          1HA       GLY 377  -0.430  -2.264   8.560
  802   2HA   GLY 377          2HA       GLY 377   0.652  -2.846   9.816
  803    H    GLN 378           H        GLN 378   1.940  -0.246  10.198
  804    HA   GLN 378           HA       GLN 378   0.287   0.769  12.219
  805   1HB   GLN 378          1HB       GLN 378   1.918   2.434  12.556
  806   2HB   GLN 378          2HB       GLN 378   2.808   1.041  11.961
  807   1HG   GLN 378          1HG       GLN 378   3.763   2.589  10.641
  808   2HG   GLN 378          2HG       GLN 378   2.347   2.276   9.638
  809   1HE2  GLN 378          1HE2      GLN 378   3.863   4.485  11.853
  810   2HE2  GLN 378          2HE2      GLN 378   2.843   5.838  11.521
  811    H    PHE 379           H        PHE 379   0.451   1.477   8.824
  812    HA   PHE 379           HA       PHE 379  -1.043   3.940   9.025
  813   1HB   PHE 379          1HB       PHE 379  -0.033   2.282   6.732
  814   2HB   PHE 379          2HB       PHE 379  -1.181   3.585   6.459
  815    HD1  PHE 379           HD1      PHE 379  -0.522   5.901   7.447
  816    HD2  PHE 379           HD2      PHE 379   2.225   2.736   6.712
  817    HE1  PHE 379           HE1      PHE 379   1.325   7.525   7.384
  818    HE2  PHE 379           HE2      PHE 379   4.078   4.353   6.651
  819    HZ   PHE 379           HZ       PHE 379   3.628   6.752   6.986
  820    H    LEU 380           H        LEU 380  -1.695   0.559   8.402
  821    HA   LEU 380           HA       LEU 380  -4.251   0.760   7.295
  822   1HB   LEU 380          1HB       LEU 380  -3.154  -1.377   9.124
  823   2HB   LEU 380          2HB       LEU 380  -4.606  -1.530   8.155
  824    HG   LEU 380           HG       LEU 380  -1.819  -1.167   7.056
  825   1HD1  LEU 380          1HD1      LEU 380  -3.578  -3.613   7.134
  826   2HD1  LEU 380          2HD1      LEU 380  -2.150  -3.345   8.133
  827   3HD1  LEU 380          3HD1      LEU 380  -1.987  -3.493   6.382
  828   1HD2  LEU 380          1HD2      LEU 380  -2.905  -1.774   4.906
  829   2HD2  LEU 380          2HD2      LEU 380  -3.443  -0.226   5.555
  830   3HD2  LEU 380          3HD2      LEU 380  -4.471  -1.650   5.706
  831    HA   PRO 381           HA       PRO 381  -6.831   2.295  10.537
  832   1HB   PRO 381          1HB       PRO 381  -8.885   0.370   9.623
  833   2HB   PRO 381          2HB       PRO 381  -8.960   2.131   9.724
  834   1HG   PRO 381          1HG       PRO 381  -8.759   0.895   7.365
  835   2HG   PRO 381          2HG       PRO 381  -7.923   2.428   7.677
  836   1HD   PRO 381          1HD       PRO 381  -6.825  -0.356   7.637
  837   2HD   PRO 381          2HD       PRO 381  -6.110   1.147   7.018
  838    H    ASP 382           H        ASP 382  -8.611   1.253  12.119
  839    HA   ASP 382           HA       ASP 382  -7.193  -0.371  13.913
  840   1HB   ASP 382          1HB       ASP 382  -8.985   1.110  14.653
  841   2HB   ASP 382          2HB       ASP 382 -10.166   0.170  13.745
  842    H    ALA 383           H        ALA 383  -9.286  -1.141  11.257
  843    HA   ALA 383           HA       ALA 383  -9.941  -3.096  10.302
  844   1HB   ALA 383          1HB       ALA 383  -7.585  -4.231  11.805
  845   2HB   ALA 383          2HB       ALA 383  -7.526  -3.479  10.211
  846   3HB   ALA 383          3HB       ALA 383  -8.412  -4.986  10.442
  Start of MODEL   18
    1   1H    ARG   6          1H        ARG   6  -9.140   7.459   1.047
    2   2H    ARG   6          2H        ARG   6  -9.956   5.982   0.943
    3   3H    ARG   6          3H        ARG   6  -8.344   6.093   0.445
    4    HA   ARG   6           HA       ARG   6  -9.330   6.453   3.213
    5   1HB   ARG   6          1HB       ARG   6  -7.742   4.200   1.965
    6   2HB   ARG   6          2HB       ARG   6  -8.143   4.340   3.671
    7   1HG   ARG   6          1HG       ARG   6 -10.526   4.199   3.114
    8   2HG   ARG   6          2HG       ARG   6 -10.106   4.026   1.409
    9   1HD   ARG   6          1HD       ARG   6 -10.569   1.855   2.388
   10   2HD   ARG   6          2HD       ARG   6  -8.869   1.972   1.934
   11    HE   ARG   6           HE       ARG   6  -9.209   2.721   4.636
   12   1HH1  ARG   6          1HH1      ARG   6  -9.210  -0.078   2.561
   13   2HH1  ARG   6          2HH1      ARG   6  -8.723  -1.168   3.816
   14   1HH2  ARG   6          1HH2      ARG   6  -8.569   1.293   6.294
   15   2HH2  ARG   6          2HH2      ARG   6  -8.360  -0.388   5.938
   16    H    MET   7           H        MET   7  -7.079   5.651   4.499
   17    HA   MET   7           HA       MET   7  -4.969   7.469   3.550
   18   1HB   MET   7          1HB       MET   7  -4.583   8.094   5.950
   19   2HB   MET   7          2HB       MET   7  -6.101   8.676   5.278
   20   1HG   MET   7          1HG       MET   7  -7.330   6.960   6.406
   21   2HG   MET   7          2HG       MET   7  -5.841   6.189   6.948
   22   1HE   MET   7          1HE       MET   7  -4.466   8.696   9.576
   23   2HE   MET   7          2HE       MET   7  -4.016   8.530   7.879
   24   3HE   MET   7          3HE       MET   7  -4.299   7.093   8.861
   25    H    ASN   8           H        ASN   8  -5.515   4.433   3.747
   26    HA   ASN   8           HA       ASN   8  -3.053   3.725   5.198
   27   1HB   ASN   8          1HB       ASN   8  -5.329   1.877   4.464
   28   2HB   ASN   8          2HB       ASN   8  -3.960   1.510   5.508
   29   1HD2  ASN   8          1HD2      ASN   8  -4.046   4.145   6.786
   30   2HD2  ASN   8          2HD2      ASN   8  -5.396   4.101   7.863
   31    H    ILE   9           H        ILE   9  -4.989   2.463   2.475
   32    HA   ILE   9           HA       ILE   9  -2.538   1.554   1.177
   33    HB   ILE   9           HB       ILE   9  -5.373   1.187   0.215
   34   1HG1  ILE   9          1HG1      ILE   9  -5.137   0.217   2.456
   35   2HG1  ILE   9          2HG1      ILE   9  -5.289  -1.045   1.239
   36   1HG2  ILE   9          1HG2      ILE   9  -2.803  -0.241  -0.453
   37   2HG2  ILE   9          2HG2      ILE   9  -3.703   0.856  -1.501
   38   3HG2  ILE   9          3HG2      ILE   9  -4.402  -0.696  -1.041
   39   1HD1  ILE   9          1HD1      ILE   9  -2.863  -1.387   1.316
   40   2HD1  ILE   9          2HD1      ILE   9  -3.629  -1.645   2.883
   41   3HD1  ILE   9          3HD1      ILE   9  -2.743  -0.153   2.571
   42    H    GLN  10           H        GLN  10  -5.280   3.711   0.578
   43    HA   GLN  10           HA       GLN  10  -4.643   4.503  -2.020
   44   1HB   GLN  10          1HB       GLN  10  -6.785   4.999  -0.931
   45   2HB   GLN  10          2HB       GLN  10  -5.977   6.106   0.169
   46   1HG   GLN  10          1HG       GLN  10  -7.081   7.348  -1.561
   47   2HG   GLN  10          2HG       GLN  10  -5.335   7.506  -1.744
   48   1HE2  GLN  10          1HE2      GLN  10  -5.490   8.043  -3.910
   49   2HE2  GLN  10          2HE2      GLN  10  -5.903   6.884  -5.123
   50    H    MET  11           H        MET  11  -3.467   5.663   1.086
   51    HA   MET  11           HA       MET  11  -2.167   7.983   0.203
   52   1HB   MET  11          1HB       MET  11  -2.589   7.477   2.571
   53   2HB   MET  11          2HB       MET  11  -1.424   6.162   2.499
   54   1HG   MET  11          1HG       MET  11   0.366   7.726   2.075
   55   2HG   MET  11          2HG       MET  11  -0.781   9.063   2.029
   56   1HE   MET  11          1HE       MET  11  -2.027   9.208   5.731
   57   2HE   MET  11          2HE       MET  11  -2.767   8.369   4.367
   58   3HE   MET  11          3HE       MET  11  -2.084   9.979   4.146
   59    H    LEU  12           H        LEU  12  -0.790   4.742   0.812
   60    HA   LEU  12           HA       LEU  12   1.785   5.301  -0.111
   61   1HB   LEU  12          1HB       LEU  12   0.359   2.649  -0.311
   62   2HB   LEU  12          2HB       LEU  12   2.092   2.910  -0.294
   63    HG   LEU  12           HG       LEU  12   0.232   3.464   2.018
   64   1HD1  LEU  12          1HD1      LEU  12   1.296   1.523   3.056
   65   2HD1  LEU  12          2HD1      LEU  12   2.208   1.231   1.577
   66   3HD1  LEU  12          3HD1      LEU  12   0.452   1.079   1.573
   67   1HD2  LEU  12          1HD2      LEU  12   3.242   3.563   1.823
   68   2HD2  LEU  12          2HD2      LEU  12   2.299   3.758   3.301
   69   3HD2  LEU  12          3HD2      LEU  12   2.164   4.947   2.006
   70    H    LEU  13           H        LEU  13  -1.104   4.241  -1.830
   71    HA   LEU  13           HA       LEU  13   0.100   3.729  -4.324
   72   1HB   LEU  13          1HB       LEU  13  -2.708   4.560  -3.598
   73   2HB   LEU  13          2HB       LEU  13  -2.224   4.127  -5.226
   74    HG   LEU  13           HG       LEU  13  -1.994   2.264  -2.863
   75   1HD1  LEU  13          1HD1      LEU  13  -4.335   2.828  -3.279
   76   2HD1  LEU  13          2HD1      LEU  13  -3.984   1.160  -3.731
   77   3HD1  LEU  13          3HD1      LEU  13  -4.139   2.397  -4.978
   78   1HD2  LEU  13          1HD2      LEU  13  -1.756   1.852  -5.840
   79   2HD2  LEU  13          2HD2      LEU  13  -1.809   0.554  -4.649
   80   3HD2  LEU  13          3HD2      LEU  13  -0.471   1.702  -4.641
   81    H    GLU  14           H        GLU  14  -1.108   6.664  -2.826
   82    HA   GLU  14           HA       GLU  14  -1.007   8.308  -5.126
   83   1HB   GLU  14          1HB       GLU  14  -2.294   8.945  -3.159
   84   2HB   GLU  14          2HB       GLU  14  -0.828   9.021  -2.192
   85   1HG   GLU  14          1HG       GLU  14  -1.594  11.238  -2.814
   86   2HG   GLU  14          2HG       GLU  14  -0.023  10.883  -3.529
   87    H    ALA  15           H        ALA  15   1.293   7.729  -2.484
   88    HA   ALA  15           HA       ALA  15   3.276   9.526  -3.277
   89   1HB   ALA  15          1HB       ALA  15   4.813   8.157  -1.949
   90   2HB   ALA  15          2HB       ALA  15   3.611   6.869  -1.888
   91   3HB   ALA  15          3HB       ALA  15   3.285   8.416  -1.107
   92    H    ALA  16           H        ALA  16   2.969   6.056  -4.035
   93    HA   ALA  16           HA       ALA  16   5.214   5.879  -5.707
   94   1HB   ALA  16          1HB       ALA  16   4.071   3.921  -4.777
   95   2HB   ALA  16          2HB       ALA  16   4.231   3.806  -6.530
   96   3HB   ALA  16          3HB       ALA  16   2.680   4.242  -5.812
   97    H    ASP  17           H        ASP  17   1.889   6.824  -6.339
   98    HA   ASP  17           HA       ASP  17   2.061   6.836  -9.166
   99   1HB   ASP  17          1HB       ASP  17  -0.098   6.805  -8.051
  100   2HB   ASP  17          2HB       ASP  17   0.236   8.358  -7.292
  101    H    TYR  18           H        TYR  18   2.912   9.132  -6.684
  102    HA   TYR  18           HA       TYR  18   3.183  11.406  -8.371
  103   1HB   TYR  18          1HB       TYR  18   2.908  11.702  -5.985
  104   2HB   TYR  18          2HB       TYR  18   4.361  10.765  -5.660
  105    HD1  TYR  18           HD1      TYR  18   6.567  11.739  -5.966
  106    HD2  TYR  18           HD2      TYR  18   3.051  13.998  -6.777
  107    HE1  TYR  18           HE1      TYR  18   7.904  13.803  -5.990
  108    HE2  TYR  18           HE2      TYR  18   4.381  16.067  -6.807
  109    HH   TYR  18           HH       TYR  18   7.795  16.059  -6.877
  110    H    LEU  19           H        LEU  19   5.652   9.365  -6.804
  111    HA   LEU  19           HA       LEU  19   7.869  10.423  -8.106
  112   1HB   LEU  19          1HB       LEU  19   7.545   7.545  -7.270
  113   2HB   LEU  19          2HB       LEU  19   9.047   8.430  -7.447
  114    HG   LEU  19           HG       LEU  19   6.935   9.056  -5.387
  115   1HD1  LEU  19          1HD1      LEU  19   9.551   7.586  -5.091
  116   2HD1  LEU  19          2HD1      LEU  19   7.942   6.873  -4.978
  117   3HD1  LEU  19          3HD1      LEU  19   8.470   8.051  -3.777
  118   1HD2  LEU  19          1HD2      LEU  19   9.769  10.043  -5.703
  119   2HD2  LEU  19          2HD2      LEU  19   8.666  10.454  -4.390
  120   3HD2  LEU  19          3HD2      LEU  19   8.310  10.975  -6.037
  121    H    GLU  20           H        GLU  20   5.915   7.590  -9.002
  122    HA   GLU  20           HA       GLU  20   7.341   6.890 -11.308
  123   1HB   GLU  20          1HB       GLU  20   5.572   5.526 -10.112
  124   2HB   GLU  20          2HB       GLU  20   4.371   6.524 -10.917
  125   1HG   GLU  20          1HG       GLU  20   6.447   4.942 -12.405
  126   2HG   GLU  20          2HG       GLU  20   4.866   4.296 -11.974
  127    H    ARG  21           H        ARG  21   4.548   9.028 -10.881
  128    HA   ARG  21           HA       ARG  21   3.626  10.636 -12.195
  129   1HB   ARG  21          1HB       ARG  21   5.896  11.578 -12.115
  130   2HB   ARG  21          2HB       ARG  21   6.346  10.620 -13.519
  131   1HG   ARG  21          1HG       ARG  21   4.631  11.822 -14.836
  132   2HG   ARG  21          2HG       ARG  21   4.314  12.839 -13.429
  133   1HD   ARG  21          1HD       ARG  21   6.652  13.582 -13.455
  134   2HD   ARG  21          2HD       ARG  21   6.948  12.581 -14.876
  135    HE   ARG  21           HE       ARG  21   4.797  14.362 -15.344
  136   1HH1  ARG  21          1HH1      ARG  21   8.270  14.267 -15.074
  137   2HH1  ARG  21          2HH1      ARG  21   8.515  15.633 -16.113
  138   1HH2  ARG  21          1HH2      ARG  21   5.109  16.157 -16.708
  139   2HH2  ARG  21          2HH2      ARG  21   6.717  16.706 -17.042
  140   1H    SER 295          1H        SER 295  -8.436  15.603   8.815
  141   2H    SER 295          2H        SER 295  -9.590  14.684   9.642
  142   3H    SER 295          3H        SER 295  -9.358  14.454   7.983
  143    HA   SER 295           HA       SER 295  -7.368  13.887  10.101
  144   1HB   SER 295          1HB       SER 295  -7.754  11.519   9.531
  145   2HB   SER 295          2HB       SER 295  -9.231  12.286  10.115
  146    HG   SER 295           HG       SER 295 -10.106  12.107   8.185
  147    H    LEU 296           H        LEU 296  -7.848  14.902   6.982
  148    HA   LEU 296           HA       LEU 296  -5.115  14.217   6.258
  149   1HB   LEU 296          1HB       LEU 296  -6.534  12.393   5.348
  150   2HB   LEU 296          2HB       LEU 296  -7.440  13.586   4.439
  151    HG   LEU 296           HG       LEU 296  -5.340  14.177   3.224
  152   1HD1  LEU 296          1HD1      LEU 296  -4.257  11.766   4.673
  153   2HD1  LEU 296          2HD1      LEU 296  -3.718  13.434   4.866
  154   3HD1  LEU 296          3HD1      LEU 296  -3.464  12.597   3.335
  155   1HD2  LEU 296          1HD2      LEU 296  -6.234  11.302   3.065
  156   2HD2  LEU 296          2HD2      LEU 296  -5.328  12.162   1.821
  157   3HD2  LEU 296          3HD2      LEU 296  -6.966  12.673   2.232
  158    H    GLN 297           H        GLN 297  -7.905  16.186   6.061
  159    HA   GLN 297           HA       GLN 297  -6.889  17.890   3.952
  160   1HB   GLN 297          1HB       GLN 297  -9.260  18.277   5.790
  161   2HB   GLN 297          2HB       GLN 297  -8.905  19.222   4.351
  162   1HG   GLN 297          1HG       GLN 297  -9.219  17.264   2.956
  163   2HG   GLN 297          2HG       GLN 297  -9.506  16.274   4.385
  164   1HE2  GLN 297          1HE2      GLN 297 -10.788  18.738   2.295
  165   2HE2  GLN 297          2HE2      GLN 297 -12.420  18.648   2.853
  166    H    ASN 298           H        ASN 298  -5.953  17.469   7.008
  167    HA   ASN 298           HA       ASN 298  -5.931  20.087   8.089
  168   1HB   ASN 298          1HB       ASN 298  -4.204  17.677   8.674
  169   2HB   ASN 298          2HB       ASN 298  -4.166  19.166   9.613
  170   1HD2  ASN 298          1HD2      ASN 298  -4.828  18.145  11.482
  171   2HD2  ASN 298          2HD2      ASN 298  -6.446  17.582  11.710
  172    H    ASN 299           H        ASN 299  -3.842  21.236   8.618
  173    HA   ASN 299           HA       ASN 299  -2.468  21.799   6.153
  174   1HB   ASN 299          1HB       ASN 299  -2.119  22.936   8.934
  175   2HB   ASN 299          2HB       ASN 299  -1.303  23.542   7.496
  176   1HD2  ASN 299          1HD2      ASN 299  -2.225  25.560   7.629
  177   2HD2  ASN 299          2HD2      ASN 299  -3.897  25.851   7.299
  178    H    GLN 300           H        GLN 300  -0.180  21.744   5.863
  179    HA   GLN 300           HA       GLN 300   1.825  20.670   5.836
  180   1HB   GLN 300          1HB       GLN 300   1.352  20.573   8.820
  181   2HB   GLN 300          2HB       GLN 300   2.892  20.278   8.026
  182   1HG   GLN 300          1HG       GLN 300   3.018  22.520   7.263
  183   2HG   GLN 300          2HG       GLN 300   1.376  22.860   7.809
  184   1HE2  GLN 300          1HE2      GLN 300   4.678  22.353   8.768
  185   2HE2  GLN 300          2HE2      GLN 300   4.516  22.945  10.383
  186    HA   PRO 301           HA       PRO 301  -0.078  16.474   6.045
  187   1HB   PRO 301          1HB       PRO 301   0.543  15.715   3.537
  188   2HB   PRO 301          2HB       PRO 301  -0.869  16.718   3.891
  189   1HG   PRO 301          1HG       PRO 301   1.822  17.530   2.865
  190   2HG   PRO 301          2HG       PRO 301   0.216  18.079   2.352
  191   1HD   PRO 301          1HD       PRO 301   1.822  19.498   4.043
  192   2HD   PRO 301          2HD       PRO 301   0.051  19.594   4.066
  193    H    VAL 302           H        VAL 302   1.516  15.800   7.532
  194    HA   VAL 302           HA       VAL 302   4.217  15.295   6.722
  195    HB   VAL 302           HB       VAL 302   2.777  14.259   9.168
  196   1HG1  VAL 302          1HG1      VAL 302   5.715  14.587   8.568
  197   2HG1  VAL 302          2HG1      VAL 302   4.837  13.063   8.694
  198   3HG1  VAL 302          3HG1      VAL 302   5.037  14.085  10.116
  199   1HG2  VAL 302          1HG2      VAL 302   2.648  16.688   9.071
  200   2HG2  VAL 302          2HG2      VAL 302   4.390  16.783   8.814
  201   3HG2  VAL 302          3HG2      VAL 302   3.755  16.174  10.343
  202    H    GLU 303           H        GLU 303   1.279  13.410   7.054
  203    HA   GLU 303           HA       GLU 303   2.311  10.834   6.898
  204   1HB   GLU 303          1HB       GLU 303  -0.303  11.983   5.939
  205   2HB   GLU 303          2HB       GLU 303   0.063  10.266   5.863
  206   1HG   GLU 303          1HG       GLU 303  -1.216  10.671   7.825
  207   2HG   GLU 303          2HG       GLU 303   0.432  10.292   8.315
  208    H    PHE 304           H        PHE 304   1.646  13.173   4.360
  209    HA   PHE 304           HA       PHE 304   1.905  11.477   2.141
  210   1HB   PHE 304          1HB       PHE 304   1.019  13.803   2.062
  211   2HB   PHE 304          2HB       PHE 304   2.651  14.406   2.323
  212    HD1  PHE 304           HD1      PHE 304   3.936  14.959   0.501
  213    HD2  PHE 304           HD2      PHE 304   0.737  12.196   0.010
  214    HE1  PHE 304           HE1      PHE 304   4.337  14.934  -1.927
  215    HE2  PHE 304           HE2      PHE 304   1.133  12.163  -2.418
  216    HZ   PHE 304           HZ       PHE 304   2.934  13.534  -3.389
  217    H    ASN 305           H        ASN 305   4.310  13.424   3.877
  218    HA   ASN 305           HA       ASN 305   6.517  12.793   2.260
  219   1HB   ASN 305          1HB       ASN 305   6.438  14.621   3.972
  220   2HB   ASN 305          2HB       ASN 305   6.557  13.391   5.226
  221   1HD2  ASN 305          1HD2      ASN 305   8.358  15.577   4.638
  222   2HD2  ASN 305          2HD2      ASN 305   9.897  14.868   4.306
  223    H    HIS 306           H        HIS 306   5.187  11.232   5.145
  224    HA   HIS 306           HA       HIS 306   7.200   9.269   5.409
  225   1HB   HIS 306          1HB       HIS 306   5.560   9.884   7.189
  226   2HB   HIS 306          2HB       HIS 306   4.304   9.067   6.263
  227    HD1  HIS 306           HD1      HIS 306   7.079   8.460   8.619
  228    HD2  HIS 306           HD2      HIS 306   4.584   6.216   6.166
  229    HE1  HIS 306           HE1      HIS 306   7.334   6.081   9.395
  230    HE2  HIS 306           HE2      HIS 306   5.797   4.744   7.913
  231    H    ALA 307           H        ALA 307   4.346   9.501   3.426
  232    HA   ALA 307           HA       ALA 307   4.136   6.770   2.697
  233   1HB   ALA 307          1HB       ALA 307   2.699   7.549   0.903
  234   2HB   ALA 307          2HB       ALA 307   3.251   9.205   1.151
  235   3HB   ALA 307          3HB       ALA 307   2.313   8.393   2.402
  236    H    ILE 308           H        ILE 308   5.553   9.563   0.981
  237    HA   ILE 308           HA       ILE 308   6.595   8.067  -1.169
  238    HB   ILE 308           HB       ILE 308   7.489  10.733  -0.065
  239   1HG1  ILE 308          1HG1      ILE 308   5.676   9.980  -2.370
  240   2HG1  ILE 308          2HG1      ILE 308   5.185  10.738  -0.859
  241   1HG2  ILE 308          1HG2      ILE 308   9.273   9.655  -1.362
  242   2HG2  ILE 308          2HG2      ILE 308   8.635  11.079  -2.182
  243   3HG2  ILE 308          3HG2      ILE 308   8.163   9.466  -2.719
  244   1HD1  ILE 308          1HD1      ILE 308   6.559  12.706  -1.461
  245   2HD1  ILE 308          2HD1      ILE 308   5.242  12.389  -2.590
  246   3HD1  ILE 308          3HD1      ILE 308   6.895  11.947  -3.018
  247    H    ASN 309           H        ASN 309   7.894   8.901   1.986
  248    HA   ASN 309           HA       ASN 309  10.568   8.135   1.519
  249   1HB   ASN 309          1HB       ASN 309   9.758   9.505   3.456
  250   2HB   ASN 309          2HB       ASN 309   9.073   8.039   4.147
  251   1HD2  ASN 309          1HD2      ASN 309  11.128   9.816   5.189
  252   2HD2  ASN 309          2HD2      ASN 309  12.524   8.832   5.454
  253    H    TYR 310           H        TYR 310   7.837   6.364   2.948
  254    HA   TYR 310           HA       TYR 310   9.175   3.965   3.468
  255   1HB   TYR 310          1HB       TYR 310   6.950   4.524   4.368
  256   2HB   TYR 310          2HB       TYR 310   6.263   4.379   2.755
  257    HD1  TYR 310           HD1      TYR 310   8.129   2.411   5.314
  258    HD2  TYR 310           HD2      TYR 310   5.396   2.342   2.054
  259    HE1  TYR 310           HE1      TYR 310   7.730   0.017   5.706
  260    HE2  TYR 310           HE2      TYR 310   4.990  -0.052   2.437
  261    HH   TYR 310           HH       TYR 310   5.977  -1.659   5.246
  262    H    VAL 311           H        VAL 311   7.137   4.827   0.672
  263    HA   VAL 311           HA       VAL 311   7.505   2.488  -0.793
  264    HB   VAL 311           HB       VAL 311   7.096   5.286  -1.864
  265   1HG1  VAL 311          1HG1      VAL 311   6.140   4.143  -3.831
  266   2HG1  VAL 311          2HG1      VAL 311   6.652   2.598  -3.156
  267   3HG1  VAL 311          3HG1      VAL 311   7.856   3.801  -3.615
  268   1HG2  VAL 311          1HG2      VAL 311   5.374   4.601  -0.257
  269   2HG2  VAL 311          2HG2      VAL 311   5.079   3.143  -1.202
  270   3HG2  VAL 311          3HG2      VAL 311   4.727   4.728  -1.892
  271    H    ASN 312           H        ASN 312   9.465   5.413  -0.624
  272    HA   ASN 312           HA       ASN 312  11.240   4.762  -2.725
  273   1HB   ASN 312          1HB       ASN 312  11.024   7.043  -1.843
  274   2HB   ASN 312          2HB       ASN 312  11.687   6.516  -0.299
  275   1HD2  ASN 312          1HD2      ASN 312  12.828   5.388  -3.405
  276   2HD2  ASN 312          2HD2      ASN 312  14.374   6.157  -3.331
  277    H    LYS 313           H        LYS 313  11.159   3.984   0.694
  278    HA   LYS 313           HA       LYS 313  13.789   2.988   0.922
  279   1HB   LYS 313          1HB       LYS 313  12.498   3.526   2.902
  280   2HB   LYS 313          2HB       LYS 313  11.293   2.314   2.488
  281   1HG   LYS 313          1HG       LYS 313  12.948   0.549   2.802
  282   2HG   LYS 313          2HG       LYS 313  14.165   1.760   3.207
  283   1HD   LYS 313          1HD       LYS 313  11.588   1.396   4.728
  284   2HD   LYS 313          2HD       LYS 313  13.110   0.624   5.176
  285   1HE   LYS 313          1HE       LYS 313  14.151   2.846   5.373
  286   2HE   LYS 313          2HE       LYS 313  12.602   3.590   4.978
  287   1HZ   LYS 313          1HZ       LYS 313  13.127   1.862   7.336
  288   2HZ   LYS 313          2HZ       LYS 313  11.655   2.609   6.964
  289   3HZ   LYS 313          3HZ       LYS 313  13.003   3.549   7.365
  290    H    ILE 314           H        ILE 314  10.691   1.344   0.310
  291    HA   ILE 314           HA       ILE 314  11.785  -1.248   0.089
  292    HB   ILE 314           HB       ILE 314   9.263  -0.156  -1.169
  293   1HG1  ILE 314          1HG1      ILE 314   9.680  -1.665   1.422
  294   2HG1  ILE 314          2HG1      ILE 314   9.340   0.058   1.294
  295   1HG2  ILE 314          1HG2      ILE 314   8.545  -2.502  -1.275
  296   2HG2  ILE 314          2HG2      ILE 314  10.129  -3.006  -0.684
  297   3HG2  ILE 314          3HG2      ILE 314   9.984  -2.212  -2.252
  298   1HD1  ILE 314          1HD1      ILE 314   7.167  -0.422   0.337
  299   2HD1  ILE 314          2HD1      ILE 314   7.358  -1.239   1.888
  300   3HD1  ILE 314          3HD1      ILE 314   7.509  -2.151   0.387
  301    H    LYS 315           H        LYS 315  11.262   1.323  -2.259
  302    HA   LYS 315           HA       LYS 315  11.849  -0.223  -4.564
  303   1HB   LYS 315          1HB       LYS 315  10.610   1.937  -4.587
  304   2HB   LYS 315          2HB       LYS 315  12.111   2.765  -4.198
  305   1HG   LYS 315          1HG       LYS 315  13.090   2.001  -6.293
  306   2HG   LYS 315          2HG       LYS 315  11.600   1.140  -6.681
  307   1HD   LYS 315          1HD       LYS 315  10.374   3.254  -6.687
  308   2HD   LYS 315          2HD       LYS 315  11.856   4.120  -6.276
  309   1HE   LYS 315          1HE       LYS 315  12.868   3.342  -8.379
  310   2HE   LYS 315          2HE       LYS 315  11.361   2.524  -8.790
  311   1HZ   LYS 315          1HZ       LYS 315  10.241   4.668  -8.782
  312   2HZ   LYS 315          2HZ       LYS 315  11.524   4.667  -9.884
  313   3HZ   LYS 315          3HZ       LYS 315  11.691   5.450  -8.395
  314    H    ASN 316           H        ASN 316  13.817   1.575  -2.294
  315    HA   ASN 316           HA       ASN 316  16.188   1.484  -3.920
  316   1HB   ASN 316          1HB       ASN 316  15.861   3.308  -2.330
  317   2HB   ASN 316          2HB       ASN 316  15.818   2.161  -0.994
  318   1HD2  ASN 316          1HD2      ASN 316  17.992   1.881  -3.716
  319   2HD2  ASN 316          2HD2      ASN 316  19.441   2.218  -2.839
  320    H    ARG 317           H        ARG 317  15.055  -0.219  -1.013
  321    HA   ARG 317           HA       ARG 317  17.336  -1.831  -0.674
  322   1HB   ARG 317          1HB       ARG 317  14.472  -2.358   0.138
  323   2HB   ARG 317          2HB       ARG 317  15.864  -3.266   0.709
  324   1HG   ARG 317          1HG       ARG 317  15.473  -0.314   1.136
  325   2HG   ARG 317          2HG       ARG 317  15.043  -1.562   2.306
  326   1HD   ARG 317          1HD       ARG 317  17.387  -2.299   2.354
  327   2HD   ARG 317          2HD       ARG 317  17.802  -1.016   1.217
  328    HE   ARG 317           HE       ARG 317  16.523   0.130   3.428
  329   1HH1  ARG 317          1HH1      ARG 317  19.501  -1.493   2.624
  330   2HH1  ARG 317          2HH1      ARG 317  20.419  -0.692   3.854
  331   1HH2  ARG 317          1HH2      ARG 317  17.721   1.189   5.049
  332   2HH2  ARG 317          2HH2      ARG 317  19.407   0.836   5.233
  333    H    PHE 318           H        PHE 318  14.360  -2.309  -2.513
  334    HA   PHE 318           HA       PHE 318  15.362  -4.894  -3.465
  335   1HB   PHE 318          1HB       PHE 318  12.636  -3.605  -3.621
  336   2HB   PHE 318          2HB       PHE 318  13.043  -5.110  -4.438
  337    HD1  PHE 318           HD1      PHE 318  12.275  -3.527  -1.262
  338    HD2  PHE 318           HD2      PHE 318  13.529  -7.131  -3.145
  339    HE1  PHE 318           HE1      PHE 318  11.736  -4.780   0.786
  340    HE2  PHE 318           HE2      PHE 318  12.991  -8.391  -1.101
  341    HZ   PHE 318           HZ       PHE 318  12.094  -7.214   0.868
  342    H    GLN 319           H        GLN 319  16.474  -2.323  -4.361
  343    HA   GLN 319           HA       GLN 319  15.532  -1.599  -6.898
  344   1HB   GLN 319          1HB       GLN 319  17.121  -0.217  -5.658
  345   2HB   GLN 319          2HB       GLN 319  18.350  -1.465  -5.807
  346   1HG   GLN 319          1HG       GLN 319  18.327  -1.184  -8.242
  347   2HG   GLN 319          2HG       GLN 319  17.121   0.092  -8.072
  348   1HE2  GLN 319          1HE2      GLN 319  17.730   2.082  -7.229
  349   2HE2  GLN 319          2HE2      GLN 319  19.385   2.563  -7.110
  350    H    GLY 320           H        GLY 320  17.477  -4.273  -5.837
  351   1HA   GLY 320          1HA       GLY 320  18.577  -4.971  -8.364
  352   2HA   GLY 320          2HA       GLY 320  18.447  -6.027  -6.963
  353    H    GLN 321           H        GLN 321  15.751  -6.184  -6.569
  354    HA   GLN 321           HA       GLN 321  14.883  -7.592  -8.992
  355   1HB   GLN 321          1HB       GLN 321  14.069  -7.877  -6.099
  356   2HB   GLN 321          2HB       GLN 321  13.256  -8.701  -7.419
  357   1HG   GLN 321          1HG       GLN 321  15.424  -9.763  -8.013
  358   2HG   GLN 321          2HG       GLN 321  16.118  -9.034  -6.564
  359   1HE2  GLN 321          1HE2      GLN 321  16.583 -11.041  -5.669
  360   2HE2  GLN 321          2HE2      GLN 321  15.354 -12.068  -5.022
  361    HA   PRO 322           HA       PRO 322  12.109  -3.961  -9.194
  362   1HB   PRO 322          1HB       PRO 322  11.442  -4.320 -11.807
  363   2HB   PRO 322          2HB       PRO 322  12.917  -3.494 -11.292
  364   1HG   PRO 322          1HG       PRO 322  12.550  -6.320 -12.207
  365   2HG   PRO 322          2HG       PRO 322  13.832  -5.166 -12.620
  366   1HD   PRO 322          1HD       PRO 322  14.181  -7.117 -10.786
  367   2HD   PRO 322          2HD       PRO 322  14.972  -5.534 -10.649
  368    H    ASP 323           H        ASP 323  11.584  -7.306 -10.019
  369    HA   ASP 323           HA       ASP 323   8.831  -7.245 -10.536
  370   1HB   ASP 323          1HB       ASP 323   8.881  -9.660  -9.919
  371   2HB   ASP 323          2HB       ASP 323  10.142  -9.208 -11.062
  372    H    ILE 324           H        ILE 324  10.625  -7.115  -7.559
  373    HA   ILE 324           HA       ILE 324   8.504  -7.835  -5.808
  374    HB   ILE 324           HB       ILE 324  10.869  -6.085  -5.137
  375   1HG1  ILE 324          1HG1      ILE 324  11.638  -8.148  -6.229
  376   2HG1  ILE 324          2HG1      ILE 324  12.055  -8.140  -4.519
  377   1HG2  ILE 324          1HG2      ILE 324   9.153  -7.894  -3.442
  378   2HG2  ILE 324          2HG2      ILE 324   9.133  -6.130  -3.440
  379   3HG2  ILE 324          3HG2      ILE 324  10.563  -6.997  -2.880
  380   1HD1  ILE 324          1HD1      ILE 324  10.139  -9.612  -4.072
  381   2HD1  ILE 324          2HD1      ILE 324  11.298 -10.326  -5.195
  382   3HD1  ILE 324          3HD1      ILE 324   9.785  -9.647  -5.800
  383    H    TYR 325           H        TYR 325   9.786  -4.729  -6.938
  384    HA   TYR 325           HA       TYR 325   8.073  -3.090  -5.404
  385   1HB   TYR 325          1HB       TYR 325  10.191  -2.361  -6.542
  386   2HB   TYR 325          2HB       TYR 325   9.329  -2.427  -8.075
  387    HD1  TYR 325           HD1      TYR 325   8.532  -0.430  -8.888
  388    HD2  TYR 325           HD2      TYR 325   8.863  -0.926  -4.676
  389    HE1  TYR 325           HE1      TYR 325   7.775   1.887  -8.562
  390    HE2  TYR 325           HE2      TYR 325   8.105   1.389  -4.338
  391    HH   TYR 325           HH       TYR 325   6.704   3.242  -6.797
  392    H    LYS 326           H        LYS 326   7.872  -4.248  -8.755
  393    HA   LYS 326           HA       LYS 326   5.449  -2.980  -9.407
  394   1HB   LYS 326          1HB       LYS 326   6.597  -5.544 -10.525
  395   2HB   LYS 326          2HB       LYS 326   5.333  -4.576 -11.271
  396   1HG   LYS 326          1HG       LYS 326   6.890  -2.724 -11.538
  397   2HG   LYS 326          2HG       LYS 326   8.160  -3.672 -10.761
  398   1HD   LYS 326          1HD       LYS 326   7.994  -5.340 -12.557
  399   2HD   LYS 326          2HD       LYS 326   6.751  -4.362 -13.339
  400   1HE   LYS 326          1HE       LYS 326   9.594  -3.509 -12.803
  401   2HE   LYS 326          2HE       LYS 326   8.946  -4.015 -14.362
  402   1HZ   LYS 326          1HZ       LYS 326   9.033  -1.612 -14.187
  403   2HZ   LYS 326          2HZ       LYS 326   8.057  -1.648 -12.805
  404   3HZ   LYS 326          3HZ       LYS 326   7.426  -2.134 -14.298
  405    H    ALA 327           H        ALA 327   6.153  -6.094  -7.915
  406    HA   ALA 327           HA       ALA 327   3.541  -7.155  -8.046
  407   1HB   ALA 327          1HB       ALA 327   5.717  -7.750  -6.044
  408   2HB   ALA 327          2HB       ALA 327   5.512  -8.537  -7.609
  409   3HB   ALA 327          3HB       ALA 327   4.291  -8.739  -6.353
  410    H    PHE 328           H        PHE 328   5.242  -5.384  -5.479
  411    HA   PHE 328           HA       PHE 328   3.224  -5.434  -3.554
  412   1HB   PHE 328          1HB       PHE 328   5.538  -4.713  -3.106
  413   2HB   PHE 328          2HB       PHE 328   5.272  -3.265  -4.068
  414    HD1  PHE 328           HD1      PHE 328   3.006  -4.820  -1.552
  415    HD2  PHE 328           HD2      PHE 328   5.534  -1.543  -2.547
  416    HE1  PHE 328           HE1      PHE 328   2.255  -3.633   0.466
  417    HE2  PHE 328           HE2      PHE 328   4.783  -0.348  -0.532
  418    HZ   PHE 328           HZ       PHE 328   3.144  -1.392   0.978
  419    H    LEU 329           H        LEU 329   3.952  -2.897  -5.951
  420    HA   LEU 329           HA       LEU 329   1.772  -1.245  -5.330
  421   1HB   LEU 329          1HB       LEU 329   3.241  -1.592  -7.944
  422   2HB   LEU 329          2HB       LEU 329   2.116  -0.293  -7.603
  423    HG   LEU 329           HG       LEU 329   4.733  -0.774  -6.174
  424   1HD1  LEU 329          1HD1      LEU 329   3.889   1.296  -8.197
  425   2HD1  LEU 329          2HD1      LEU 329   5.101   0.032  -8.412
  426   3HD1  LEU 329          3HD1      LEU 329   5.389   1.346  -7.270
  427   1HD2  LEU 329          1HD2      LEU 329   2.718   1.452  -5.878
  428   2HD2  LEU 329          2HD2      LEU 329   4.300   1.383  -5.103
  429   3HD2  LEU 329          3HD2      LEU 329   3.063   0.197  -4.687
  430    H    GLU 330           H        GLU 330   2.059  -4.021  -7.464
  431    HA   GLU 330           HA       GLU 330  -0.387  -3.717  -8.830
  432   1HB   GLU 330          1HB       GLU 330   1.505  -5.241  -9.483
  433   2HB   GLU 330          2HB       GLU 330   1.006  -6.319  -8.188
  434   1HG   GLU 330          1HG       GLU 330   0.150  -7.083 -10.316
  435   2HG   GLU 330          2HG       GLU 330  -1.172  -6.597  -9.254
  436    H    ILE 331           H        ILE 331   0.467  -5.430  -5.852
  437    HA   ILE 331           HA       ILE 331  -2.048  -6.624  -5.418
  438    HB   ILE 331           HB       ILE 331   0.088  -5.865  -3.420
  439   1HG1  ILE 331          1HG1      ILE 331  -0.561  -8.546  -4.666
  440   2HG1  ILE 331          2HG1      ILE 331   0.734  -7.488  -5.214
  441   1HG2  ILE 331          1HG2      ILE 331  -2.308  -7.669  -3.094
  442   2HG2  ILE 331          2HG2      ILE 331  -2.051  -6.115  -2.302
  443   3HG2  ILE 331          3HG2      ILE 331  -1.004  -7.481  -1.922
  444   1HD1  ILE 331          1HD1      ILE 331   0.516  -8.763  -2.497
  445   2HD1  ILE 331          2HD1      ILE 331   1.809  -7.685  -3.025
  446   3HD1  ILE 331          3HD1      ILE 331   1.596  -9.253  -3.803
  447    H    LEU 332           H        LEU 332  -0.634  -3.602  -4.164
  448    HA   LEU 332           HA       LEU 332  -2.885  -2.855  -2.633
  449   1HB   LEU 332          1HB       LEU 332  -0.901  -0.980  -3.912
  450   2HB   LEU 332          2HB       LEU 332  -1.896  -0.668  -2.504
  451    HG   LEU 332           HG       LEU 332   0.443  -2.564  -2.682
  452   1HD1  LEU 332          1HD1      LEU 332  -0.022   0.010  -1.190
  453   2HD1  LEU 332          2HD1      LEU 332   1.121  -0.271  -2.505
  454   3HD1  LEU 332          3HD1      LEU 332   1.361  -1.054  -0.945
  455   1HD2  LEU 332          1HD2      LEU 332  -1.392  -2.030  -0.346
  456   2HD2  LEU 332          2HD2      LEU 332   0.076  -3.010  -0.312
  457   3HD2  LEU 332          3HD2      LEU 332  -1.309  -3.529  -1.273
  458    H    HIS 333           H        HIS 333  -2.042  -2.414  -6.001
  459    HA   HIS 333           HA       HIS 333  -3.941  -0.441  -6.653
  460   1HB   HIS 333          1HB       HIS 333  -1.933  -1.631  -8.012
  461   2HB   HIS 333          2HB       HIS 333  -3.307  -2.483  -8.707
  462    HD1  HIS 333           HD1      HIS 333  -4.913  -1.124 -10.200
  463    HD2  HIS 333           HD2      HIS 333  -1.749   1.090  -8.665
  464    HE1  HIS 333           HE1      HIS 333  -4.915   1.035 -11.489
  465    HE2  HIS 333           HE2      HIS 333  -2.933   2.318 -10.609
  466    H    THR 334           H        THR 334  -4.072  -3.986  -6.935
  467    HA   THR 334           HA       THR 334  -6.749  -4.094  -7.849
  468    HB   THR 334           HB       THR 334  -5.175  -6.227  -6.386
  469    HG1  THR 334           HG1      THR 334  -4.865  -5.173  -8.825
  470   1HG2  THR 334          1HG2      THR 334  -6.719  -7.790  -7.519
  471   2HG2  THR 334          2HG2      THR 334  -7.641  -6.413  -8.122
  472   3HG2  THR 334          3HG2      THR 334  -7.553  -6.723  -6.388
  473    H    TYR 335           H        TYR 335  -5.288  -3.940  -4.688
  474    HA   TYR 335           HA       TYR 335  -7.443  -4.786  -3.111
  475   1HB   TYR 335          1HB       TYR 335  -5.131  -4.444  -2.277
  476   2HB   TYR 335          2HB       TYR 335  -5.347  -2.706  -2.440
  477    HD1  TYR 335           HD1      TYR 335  -5.926  -5.607  -0.373
  478    HD2  TYR 335           HD2      TYR 335  -7.021  -1.542  -0.978
  479    HE1  TYR 335           HE1      TYR 335  -6.831  -5.517   1.912
  480    HE2  TYR 335           HE2      TYR 335  -7.929  -1.439   1.304
  481    HH   TYR 335           HH       TYR 335  -7.316  -3.813   3.636
  482    H    GLN 336           H        GLN 336  -6.446  -1.459  -3.915
  483    HA   GLN 336           HA       GLN 336  -8.755  -0.245  -2.817
  484   1HB   GLN 336          1HB       GLN 336  -6.626   0.947  -3.148
  485   2HB   GLN 336          2HB       GLN 336  -6.830   0.822  -4.889
  486   1HG   GLN 336          1HG       GLN 336  -7.438   3.027  -4.132
  487   2HG   GLN 336          2HG       GLN 336  -8.859   2.183  -4.744
  488   1HE2  GLN 336          1HE2      GLN 336 -10.475   1.570  -3.323
  489   2HE2  GLN 336          2HE2      GLN 336 -10.578   2.187  -1.713
  490    H    LYS 337           H        LYS 337  -8.000  -1.528  -5.983
  491    HA   LYS 337           HA       LYS 337 -10.045  -0.284  -7.454
  492   1HB   LYS 337          1HB       LYS 337  -8.197  -1.440  -8.530
  493   2HB   LYS 337          2HB       LYS 337  -8.738  -2.976  -7.868
  494   1HG   LYS 337          1HG       LYS 337 -10.819  -2.771  -9.174
  495   2HG   LYS 337          2HG       LYS 337 -10.197  -1.280  -9.884
  496   1HD   LYS 337          1HD       LYS 337  -8.309  -2.509 -10.827
  497   2HD   LYS 337          2HD       LYS 337  -8.903  -3.999 -10.093
  498   1HE   LYS 337          1HE       LYS 337 -10.957  -3.820 -11.428
  499   2HE   LYS 337          2HE       LYS 337 -10.332  -2.351 -12.176
  500   1HZ   LYS 337          1HZ       LYS 337  -9.107  -5.051 -12.366
  501   2HZ   LYS 337          2HZ       LYS 337  -8.492  -3.643 -13.074
  502   3HZ   LYS 337          3HZ       LYS 337  -9.974  -4.270 -13.590
  503    H    GLU 338           H        GLU 338  -9.975  -3.510  -5.942
  504    HA   GLU 338           HA       GLU 338 -12.685  -4.095  -6.544
  505   1HB   GLU 338          1HB       GLU 338 -10.839  -5.307  -4.482
  506   2HB   GLU 338          2HB       GLU 338 -12.394  -5.975  -4.957
  507   1HG   GLU 338          1HG       GLU 338 -11.547  -6.207  -7.264
  508   2HG   GLU 338          2HG       GLU 338  -9.973  -5.635  -6.713
  509    H    GLN 339           H        GLN 339 -11.069  -2.660  -3.769
  510    HA   GLN 339           HA       GLN 339 -13.188  -2.781  -1.938
  511   1HB   GLN 339          1HB       GLN 339 -10.797  -2.160  -1.443
  512   2HB   GLN 339          2HB       GLN 339 -11.129  -0.578  -2.131
  513   1HG   GLN 339          1HG       GLN 339 -12.723  -1.696   0.150
  514   2HG   GLN 339          2HG       GLN 339 -11.228  -0.797   0.394
  515   1HE2  GLN 339          1HE2      GLN 339 -13.951  -0.159   1.216
  516   2HE2  GLN 339          2HE2      GLN 339 -14.315   1.379   0.518
  517    H    ARG 340           H        ARG 340 -12.305  -0.272  -4.287
  518    HA   ARG 340           HA       ARG 340 -14.405   1.504  -3.616
  519   1HB   ARG 340          1HB       ARG 340 -12.371   2.191  -4.844
  520   2HB   ARG 340          2HB       ARG 340 -12.901   1.243  -6.227
  521   1HG   ARG 340          1HG       ARG 340 -14.913   2.666  -6.387
  522   2HG   ARG 340          2HG       ARG 340 -14.282   3.654  -5.067
  523   1HD   ARG 340          1HD       ARG 340 -12.976   3.205  -7.750
  524   2HD   ARG 340          2HD       ARG 340 -13.794   4.675  -7.220
  525    HE   ARG 340           HE       ARG 340 -11.752   4.063  -5.396
  526   1HH1  ARG 340          1HH1      ARG 340 -12.173   5.143  -8.683
  527   2HH1  ARG 340          2HH1      ARG 340 -10.672   6.006  -8.727
  528   1HH2  ARG 340          1HH2      ARG 340  -9.776   5.199  -5.446
  529   2HH2  ARG 340          2HH2      ARG 340  -9.311   6.040  -6.886
  530    H    ASN 341           H        ASN 341 -14.041  -0.855  -6.256
  531    HA   ASN 341           HA       ASN 341 -16.557  -0.432  -7.423
  532   1HB   ASN 341          1HB       ASN 341 -14.803  -2.896  -7.401
  533   2HB   ASN 341          2HB       ASN 341 -16.227  -2.704  -8.419
  534   1HD2  ASN 341          1HD2      ASN 341 -15.012  -2.883 -10.296
  535   2HD2  ASN 341          2HD2      ASN 341 -13.981  -1.614 -10.850
  536    H    ALA 342           H        ALA 342 -15.626  -2.107  -4.559
  537    HA   ALA 342           HA       ALA 342 -17.959  -3.769  -4.385
  538   1HB   ALA 342          1HB       ALA 342 -15.861  -4.414  -3.306
  539   2HB   ALA 342          2HB       ALA 342 -17.175  -4.292  -2.136
  540   3HB   ALA 342          3HB       ALA 342 -15.972  -3.008  -2.247
  541    H    LYS 343           H        LYS 343 -16.862  -0.855  -2.643
  542    HA   LYS 343           HA       LYS 343 -19.283  -0.517  -1.209
  543   1HB   LYS 343          1HB       LYS 343 -18.409   1.696  -0.631
  544   2HB   LYS 343          2HB       LYS 343 -17.177   0.458  -0.438
  545   1HG   LYS 343          1HG       LYS 343 -16.259   1.106  -2.652
  546   2HG   LYS 343          2HG       LYS 343 -17.426   2.428  -2.702
  547   1HD   LYS 343          1HD       LYS 343 -15.502   2.087  -0.419
  548   2HD   LYS 343          2HD       LYS 343 -15.062   2.964  -1.884
  549   1HE   LYS 343          1HE       LYS 343 -15.816   4.577  -0.312
  550   2HE   LYS 343          2HE       LYS 343 -17.091   4.398  -1.516
  551   1HZ   LYS 343          1HZ       LYS 343 -17.102   2.968   1.083
  552   2HZ   LYS 343          2HZ       LYS 343 -18.375   3.113  -0.021
  553   3HZ   LYS 343          3HZ       LYS 343 -17.852   4.466   0.846
  554    H    GLU 344           H        GLU 344 -18.366   0.186  -4.425
  555    HA   GLU 344           HA       GLU 344 -20.378   2.237  -4.819
  556   1HB   GLU 344          1HB       GLU 344 -18.258   2.392  -6.031
  557   2HB   GLU 344          2HB       GLU 344 -18.563   0.837  -6.792
  558   1HG   GLU 344          1HG       GLU 344 -20.496   1.758  -7.943
  559   2HG   GLU 344          2HG       GLU 344 -20.238   3.313  -7.152
  560    H    ALA 345           H        ALA 345 -19.862  -1.156  -5.669
  561    HA   ALA 345           HA       ALA 345 -22.132  -1.462  -7.308
  562   1HB   ALA 345          1HB       ALA 345 -21.832  -3.861  -6.970
  563   2HB   ALA 345          2HB       ALA 345 -20.709  -3.539  -5.648
  564   3HB   ALA 345          3HB       ALA 345 -20.293  -3.063  -7.295
  565    H    GLY 346           H        GLY 346 -21.766  -1.285  -3.878
  566   1HA   GLY 346          1HA       GLY 346 -23.893  -0.675  -2.733
  567   2HA   GLY 346          2HA       GLY 346 -24.602  -2.054  -3.561
  568    H    GLY 347           H        GLY 347 -24.691  -3.913  -2.485
  569   1HA   GLY 347          1HA       GLY 347 -23.071  -4.141  -0.030
  570   2HA   GLY 347          2HA       GLY 347 -24.633  -4.904  -0.275
  571    H    ASN 348           H        ASN 348 -24.305  -6.066  -2.754
  572    HA   ASN 348           HA       ASN 348 -22.439  -8.210  -2.084
  573   1HB   ASN 348          1HB       ASN 348 -24.780  -8.773  -2.674
  574   2HB   ASN 348          2HB       ASN 348 -24.523  -8.084  -4.275
  575   1HD2  ASN 348          1HD2      ASN 348 -23.195  -9.159  -5.743
  576   2HD2  ASN 348          2HD2      ASN 348 -22.768 -10.821  -5.541
  577    H    TYR 349           H        TYR 349 -20.668  -8.732  -3.260
  578    HA   TYR 349           HA       TYR 349 -20.222  -7.768  -5.916
  579   1HB   TYR 349          1HB       TYR 349 -19.719  -5.709  -4.704
  580   2HB   TYR 349          2HB       TYR 349 -18.593  -6.572  -3.662
  581    HD1  TYR 349           HD1      TYR 349 -16.342  -6.800  -4.273
  582    HD2  TYR 349           HD2      TYR 349 -19.182  -5.585  -7.199
  583    HE1  TYR 349           HE1      TYR 349 -14.512  -6.318  -5.841
  584    HE2  TYR 349           HE2      TYR 349 -17.359  -5.100  -8.777
  585    HH   TYR 349           HH       TYR 349 -14.134  -6.095  -8.223
  586    H    THR 350           H        THR 350 -19.338  -9.538  -3.121
  587    HA   THR 350           HA       THR 350 -17.667 -11.050  -2.659
  588    HB   THR 350           HB       THR 350 -19.273 -12.503  -3.613
  589    HG1  THR 350           HG1      THR 350 -17.877 -14.054  -4.646
  590   1HG2  THR 350          1HG2      THR 350 -19.802 -11.252  -5.637
  591   2HG2  THR 350          2HG2      THR 350 -19.443 -12.935  -6.027
  592   3HG2  THR 350          3HG2      THR 350 -18.238 -11.682  -6.329
  593    HA   PRO 351           HA       PRO 351 -14.318  -9.288  -5.294
  594   1HB   PRO 351          1HB       PRO 351 -12.743  -8.445  -3.281
  595   2HB   PRO 351          2HB       PRO 351 -14.110  -7.490  -3.866
  596   1HG   PRO 351          1HG       PRO 351 -13.917  -9.243  -1.451
  597   2HG   PRO 351          2HG       PRO 351 -14.686  -7.655  -1.624
  598   1HD   PRO 351          1HD       PRO 351 -16.052 -10.032  -1.667
  599   2HD   PRO 351          2HD       PRO 351 -16.621  -8.553  -2.463
  600    H    ALA 352           H        ALA 352 -11.753  -9.577  -4.554
  601    HA   ALA 352           HA       ALA 352 -11.483 -12.455  -3.972
  602   1HB   ALA 352          1HB       ALA 352 -11.024 -11.977  -6.317
  603   2HB   ALA 352          2HB       ALA 352  -9.559 -12.495  -5.481
  604   3HB   ALA 352          3HB       ALA 352  -9.810 -10.786  -5.846
  605    H    LEU 353           H        LEU 353  -9.334  -9.611  -4.189
  606    HA   LEU 353           HA       LEU 353  -7.768 -10.581  -1.964
  607   1HB   LEU 353          1HB       LEU 353  -7.570  -8.111  -3.680
  608   2HB   LEU 353          2HB       LEU 353  -6.489  -8.430  -2.339
  609    HG   LEU 353           HG       LEU 353  -5.922 -10.625  -3.540
  610   1HD1  LEU 353          1HD1      LEU 353  -6.227 -10.586  -5.970
  611   2HD1  LEU 353          2HD1      LEU 353  -7.198  -9.122  -5.821
  612   3HD1  LEU 353          3HD1      LEU 353  -7.769 -10.636  -5.117
  613   1HD2  LEU 353          1HD2      LEU 353  -4.390  -8.740  -3.370
  614   2HD2  LEU 353          2HD2      LEU 353  -5.142  -7.988  -4.777
  615   3HD2  LEU 353          3HD2      LEU 353  -4.268  -9.510  -4.953
  616    H    THR 354           H        THR 354  -7.634  -9.716   0.063
  617    HA   THR 354           HA       THR 354  -9.346  -7.432   0.728
  618    HB   THR 354           HB       THR 354 -10.183  -8.582   2.749
  619    HG1  THR 354           HG1      THR 354  -8.543 -10.171   2.939
  620   1HG2  THR 354          1HG2      THR 354 -11.789 -10.060   1.624
  621   2HG2  THR 354          2HG2      THR 354 -10.792 -10.035   0.169
  622   3HG2  THR 354          3HG2      THR 354 -11.567  -8.554   0.734
  623    H    GLU 355           H        GLU 355  -9.003  -7.242   3.380
  624    HA   GLU 355           HA       GLU 355  -6.420  -6.193   3.662
  625   1HB   GLU 355          1HB       GLU 355  -8.327  -5.450   5.016
  626   2HB   GLU 355          2HB       GLU 355  -8.376  -7.013   5.818
  627   1HG   GLU 355          1HG       GLU 355  -6.174  -6.612   6.768
  628   2HG   GLU 355          2HG       GLU 355  -6.092  -5.059   5.938
  629    H    GLN 356           H        GLN 356  -7.790  -9.300   4.626
  630    HA   GLN 356           HA       GLN 356  -5.552 -10.219   6.088
  631   1HB   GLN 356          1HB       GLN 356  -7.795 -11.220   6.284
  632   2HB   GLN 356          2HB       GLN 356  -7.669 -11.819   4.636
  633   1HG   GLN 356          1HG       GLN 356  -5.775 -13.216   5.287
  634   2HG   GLN 356          2HG       GLN 356  -5.902 -12.616   6.939
  635   1HE2  GLN 356          1HE2      GLN 356  -7.604 -13.293   8.233
  636   2HE2  GLN 356          2HE2      GLN 356  -8.578 -14.663   7.832
  637    H    GLU 357           H        GLU 357  -6.535 -10.603   2.707
  638    HA   GLU 357           HA       GLU 357  -4.563 -12.368   1.858
  639   1HB   GLU 357          1HB       GLU 357  -6.543 -11.599   0.525
  640   2HB   GLU 357          2HB       GLU 357  -5.707 -10.077   0.248
  641   1HG   GLU 357          1HG       GLU 357  -5.460 -11.507  -1.669
  642   2HG   GLU 357          2HG       GLU 357  -3.897 -11.296  -0.880
  643    H    VAL 358           H        VAL 358  -4.519  -8.807   1.848
  644    HA   VAL 358           HA       VAL 358  -1.943  -8.485   0.823
  645    HB   VAL 358           HB       VAL 358  -3.819  -6.754   2.337
  646   1HG1  VAL 358          1HG1      VAL 358  -0.872  -6.142   2.120
  647   2HG1  VAL 358          2HG1      VAL 358  -1.825  -6.273   3.596
  648   3HG1  VAL 358          3HG1      VAL 358  -2.112  -4.942   2.478
  649   1HG2  VAL 358          1HG2      VAL 358  -3.569  -5.332   0.456
  650   2HG2  VAL 358          2HG2      VAL 358  -3.653  -6.979  -0.171
  651   3HG2  VAL 358          3HG2      VAL 358  -2.095  -6.157  -0.053
  652    H    TYR 359           H        TYR 359  -2.935  -8.319   4.262
  653    HA   TYR 359           HA       TYR 359  -0.481  -7.994   5.407
  654   1HB   TYR 359          1HB       TYR 359  -2.608  -8.067   6.662
  655   2HB   TYR 359          2HB       TYR 359  -2.653  -9.815   6.457
  656    HD1  TYR 359           HD1      TYR 359  -1.830 -11.130   8.168
  657    HD2  TYR 359           HD2      TYR 359  -0.364  -7.157   7.756
  658    HE1  TYR 359           HE1      TYR 359  -0.509 -11.410  10.224
  659    HE2  TYR 359           HE2      TYR 359   0.961  -7.424   9.810
  660    HH   TYR 359           HH       TYR 359   1.505 -10.431  11.266
  661    H    ALA 360           H        ALA 360  -1.948 -11.144   4.608
  662    HA   ALA 360           HA       ALA 360   0.181 -12.730   5.497
  663   1HB   ALA 360          1HB       ALA 360  -1.863 -13.315   3.363
  664   2HB   ALA 360          2HB       ALA 360  -2.030 -13.625   5.092
  665   3HB   ALA 360          3HB       ALA 360  -0.830 -14.510   4.149
  666    H    GLN 361           H        GLN 361  -0.626 -12.110   2.057
  667    HA   GLN 361           HA       GLN 361   1.797 -13.179   1.092
  668   1HB   GLN 361          1HB       GLN 361  -0.148 -11.279  -0.218
  669   2HB   GLN 361          2HB       GLN 361   1.170 -12.087  -1.055
  670   1HG   GLN 361          1HG       GLN 361   0.176 -14.260  -0.459
  671   2HG   GLN 361          2HG       GLN 361  -1.176 -13.409   0.287
  672   1HE2  GLN 361          1HE2      GLN 361  -1.141 -11.311  -1.769
  673   2HE2  GLN 361          2HE2      GLN 361  -1.852 -12.020  -3.174
  674    H    VAL 362           H        VAL 362   0.777  -9.778   1.375
  675    HA   VAL 362           HA       VAL 362   3.100  -8.603   0.428
  676    HB   VAL 362           HB       VAL 362   1.257  -7.517   2.562
  677   1HG1  VAL 362          1HG1      VAL 362   3.220  -6.190   2.558
  678   2HG1  VAL 362          2HG1      VAL 362   2.004  -5.308   1.629
  679   3HG1  VAL 362          3HG1      VAL 362   3.291  -6.183   0.795
  680   1HG2  VAL 362          1HG2      VAL 362   0.024  -8.128   0.572
  681   2HG2  VAL 362          2HG2      VAL 362   1.178  -7.261  -0.441
  682   3HG2  VAL 362          3HG2      VAL 362   0.147  -6.372   0.681
  683    H    ALA 363           H        ALA 363   2.398  -9.889   3.647
  684    HA   ALA 363           HA       ALA 363   4.713  -8.780   4.885
  685   1HB   ALA 363          1HB       ALA 363   3.027 -11.151   5.678
  686   2HB   ALA 363          2HB       ALA 363   2.863  -9.493   6.256
  687   3HB   ALA 363          3HB       ALA 363   4.293 -10.434   6.675
  688    H    ARG 364           H        ARG 364   3.995 -11.946   3.434
  689    HA   ARG 364           HA       ARG 364   6.428 -13.191   4.004
  690   1HB   ARG 364          1HB       ARG 364   4.484 -14.396   3.113
  691   2HB   ARG 364          2HB       ARG 364   4.664 -13.563   1.575
  692   1HG   ARG 364          1HG       ARG 364   6.889 -14.610   1.312
  693   2HG   ARG 364          2HG       ARG 364   6.606 -15.511   2.801
  694   1HD   ARG 364          1HD       ARG 364   4.962 -15.662   0.275
  695   2HD   ARG 364          2HD       ARG 364   6.093 -16.882   0.861
  696    HE   ARG 364           HE       ARG 364   4.369 -16.653   2.915
  697   1HH1  ARG 364          1HH1      ARG 364   3.908 -17.117  -0.508
  698   2HH1  ARG 364          2HH1      ARG 364   2.430 -17.998  -0.319
  699   1HH2  ARG 364          1HH2      ARG 364   2.427 -17.816   3.172
  700   2HH2  ARG 364          2HH2      ARG 364   1.587 -18.396   1.772
  701    H    LEU 365           H        LEU 365   5.529 -10.982   1.420
  702    HA   LEU 365           HA       LEU 365   7.789 -11.283  -0.207
  703   1HB   LEU 365          1HB       LEU 365   6.077  -8.841   0.267
  704   2HB   LEU 365          2HB       LEU 365   7.239  -9.007  -1.035
  705    HG   LEU 365           HG       LEU 365   4.812 -10.767  -0.675
  706   1HD1  LEU 365          1HD1      LEU 365   5.278  -8.476  -2.578
  707   2HD1  LEU 365          2HD1      LEU 365   4.171  -8.475  -1.206
  708   3HD1  LEU 365          3HD1      LEU 365   3.878  -9.549  -2.574
  709   1HD2  LEU 365          1HD2      LEU 365   5.323 -11.534  -2.933
  710   2HD2  LEU 365          2HD2      LEU 365   6.666 -11.860  -1.837
  711   3HD2  LEU 365          3HD2      LEU 365   6.757 -10.508  -2.966
  712    H    PHE 366           H        PHE 366   7.348  -9.671   2.825
  713    HA   PHE 366           HA       PHE 366   9.949  -8.337   2.597
  714   1HB   PHE 366          1HB       PHE 366   7.805  -8.089   4.720
  715   2HB   PHE 366          2HB       PHE 366   9.307  -7.173   4.683
  716    HD1  PHE 366           HD1      PHE 366   6.042  -6.687   4.305
  717    HD2  PHE 366           HD2      PHE 366   9.588  -6.279   1.987
  718    HE1  PHE 366           HE1      PHE 366   4.945  -4.961   2.937
  719    HE2  PHE 366           HE2      PHE 366   8.497  -4.552   0.616
  720    HZ   PHE 366           HZ       PHE 366   6.173  -3.890   1.091
  721    H    LYS 367           H        LYS 367  11.389 -10.021   2.870
  722    HA   LYS 367           HA       LYS 367  11.137 -11.775   5.160
  723   1HB   LYS 367          1HB       LYS 367  12.854 -11.659   2.740
  724   2HB   LYS 367          2HB       LYS 367  13.462 -12.522   4.139
  725   1HG   LYS 367          1HG       LYS 367  10.800 -13.073   2.855
  726   2HG   LYS 367          2HG       LYS 367  12.286 -13.941   2.463
  727   1HD   LYS 367          1HD       LYS 367  12.471 -14.713   4.756
  728   2HD   LYS 367          2HD       LYS 367  11.042 -13.781   5.209
  729   1HE   LYS 367          1HE       LYS 367  10.514 -16.150   4.887
  730   2HE   LYS 367          2HE       LYS 367   9.670 -15.128   3.723
  731   1HZ   LYS 367          1HZ       LYS 367  10.590 -17.088   2.664
  732   2HZ   LYS 367          2HZ       LYS 367  12.144 -16.682   3.189
  733   3HZ   LYS 367          3HZ       LYS 367  11.346 -15.695   2.071
  734    H    ASN 368           H        ASN 368  12.119 -11.488   7.051
  735    HA   ASN 368           HA       ASN 368  13.419 -10.629   8.702
  736   1HB   ASN 368          1HB       ASN 368  15.334 -10.174   6.406
  737   2HB   ASN 368          2HB       ASN 368  15.753  -9.974   8.104
  738   1HD2  ASN 368          1HD2      ASN 368  14.957 -12.236   5.592
  739   2HD2  ASN 368          2HD2      ASN 368  15.470 -13.657   6.430
  740    H    GLN 369           H        GLN 369  11.759  -8.856   6.737
  741    HA   GLN 369           HA       GLN 369  12.875  -6.273   7.601
  742   1HB   GLN 369          1HB       GLN 369  11.002  -6.940   5.324
  743   2HB   GLN 369          2HB       GLN 369  11.409  -5.299   5.811
  744   1HG   GLN 369          1HG       GLN 369  13.372  -7.371   4.850
  745   2HG   GLN 369          2HG       GLN 369  12.707  -6.059   3.878
  746   1HE2  GLN 369          1HE2      GLN 369  15.477  -6.654   4.595
  747   2HE2  GLN 369          2HE2      GLN 369  16.077  -5.243   5.391
  748    H    GLU 370           H        GLU 370  11.862  -7.015   9.713
  749    HA   GLU 370           HA       GLU 370   9.029  -7.016   9.964
  750   1HB   GLU 370          1HB       GLU 370   9.447  -6.942  12.380
  751   2HB   GLU 370          2HB       GLU 370  10.450  -8.151  11.591
  752   1HG   GLU 370          1HG       GLU 370  12.361  -6.673  11.683
  753   2HG   GLU 370          2HG       GLU 370  11.367  -5.397  12.386
  754    H    ASP 371           H        ASP 371  11.487  -4.544  10.066
  755    HA   ASP 371           HA       ASP 371  10.047  -2.516  11.361
  756   1HB   ASP 371          1HB       ASP 371  12.140  -2.233   9.193
  757   2HB   ASP 371          2HB       ASP 371  11.612  -0.957  10.286
  758    H    LEU 372           H        LEU 372  10.326  -3.312   7.911
  759    HA   LEU 372           HA       LEU 372   8.731  -1.240   6.921
  760   1HB   LEU 372          1HB       LEU 372   9.546  -3.926   5.914
  761   2HB   LEU 372          2HB       LEU 372   8.268  -3.075   5.069
  762    HG   LEU 372           HG       LEU 372   9.779  -1.188   4.656
  763   1HD1  LEU 372          1HD1      LEU 372  12.162  -1.375   5.154
  764   2HD1  LEU 372          2HD1      LEU 372  11.864  -2.887   6.014
  765   3HD1  LEU 372          3HD1      LEU 372  11.192  -1.376   6.628
  766   1HD2  LEU 372          1HD2      LEU 372  11.236  -2.284   3.049
  767   2HD2  LEU 372          2HD2      LEU 372   9.629  -3.011   3.028
  768   3HD2  LEU 372          3HD2      LEU 372  10.960  -3.838   3.838
  769    H    LEU 373           H        LEU 373   7.843  -4.557   7.858
  770    HA   LEU 373           HA       LEU 373   5.127  -4.387   7.210
  771   1HB   LEU 373          1HB       LEU 373   6.776  -6.113   8.968
  772   2HB   LEU 373          2HB       LEU 373   5.046  -6.119   9.254
  773    HG   LEU 373           HG       LEU 373   6.370  -6.765   6.618
  774   1HD1  LEU 373          1HD1      LEU 373   6.809  -8.466   8.311
  775   2HD1  LEU 373          2HD1      LEU 373   5.697  -9.063   7.080
  776   3HD1  LEU 373          3HD1      LEU 373   5.083  -8.572   8.659
  777   1HD2  LEU 373          1HD2      LEU 373   4.157  -5.800   6.328
  778   2HD2  LEU 373          2HD2      LEU 373   3.490  -6.937   7.501
  779   3HD2  LEU 373          3HD2      LEU 373   4.127  -7.526   5.968
  780    H    SER 374           H        SER 374   6.873  -3.440  10.118
  781    HA   SER 374           HA       SER 374   4.639  -2.935  11.753
  782   1HB   SER 374          1HB       SER 374   7.374  -1.632  11.772
  783   2HB   SER 374          2HB       SER 374   6.182  -1.497  13.064
  784    HG   SER 374           HG       SER 374   6.380  -3.682  13.450
  785    H    GLU 375           H        GLU 375   6.505  -0.824   9.603
  786    HA   GLU 375           HA       GLU 375   5.071   1.539  10.073
  787   1HB   GLU 375          1HB       GLU 375   6.504   0.671   7.553
  788   2HB   GLU 375          2HB       GLU 375   6.021   2.318   7.939
  789   1HG   GLU 375          1HG       GLU 375   7.973   0.668   9.525
  790   2HG   GLU 375          2HG       GLU 375   8.405   1.901   8.342
  791    H    PHE 376           H        PHE 376   4.587  -1.068   7.737
  792    HA   PHE 376           HA       PHE 376   2.435   0.166   6.355
  793   1HB   PHE 376          1HB       PHE 376   3.801  -1.656   5.390
  794   2HB   PHE 376          2HB       PHE 376   3.138  -2.771   6.579
  795    HD1  PHE 376           HD1      PHE 376   2.290  -0.654   3.673
  796    HD2  PHE 376           HD2      PHE 376   1.056  -3.817   6.240
  797    HE1  PHE 376           HE1      PHE 376   0.434  -1.168   2.141
  798    HE2  PHE 376           HE2      PHE 376  -0.802  -4.337   4.711
  799    HZ   PHE 376           HZ       PHE 376  -1.113  -3.011   2.659
  800    H    GLY 377           H        GLY 377   2.690  -1.737   9.256
  801   1HA   GLY 377          1HA       GLY 377  -0.089  -2.422   9.419
  802   2HA   GLY 377          2HA       GLY 377   1.098  -2.574  10.706
  803    H    GLN 378           H        GLN 378   1.900   0.219  10.611
  804    HA   GLN 378           HA       GLN 378   0.183   1.294  12.516
  805   1HB   GLN 378          1HB       GLN 378   2.127   2.659  10.652
  806   2HB   GLN 378          2HB       GLN 378   1.301   3.487  11.966
  807   1HG   GLN 378          1HG       GLN 378   2.330   1.941  13.567
  808   2HG   GLN 378          2HG       GLN 378   3.183   1.154  12.242
  809   1HE2  GLN 378          1HE2      GLN 378   5.192   1.643  13.104
  810   2HE2  GLN 378          2HE2      GLN 378   5.842   3.244  13.082
  811    H    PHE 379           H        PHE 379   0.174   1.662   9.008
  812    HA   PHE 379           HA       PHE 379  -1.740   3.718   8.851
  813   1HB   PHE 379          1HB       PHE 379  -1.017   1.529   6.897
  814   2HB   PHE 379          2HB       PHE 379  -2.115   2.850   6.516
  815    HD1  PHE 379           HD1      PHE 379   1.307   1.806   6.781
  816    HD2  PHE 379           HD2      PHE 379  -1.248   5.203   6.581
  817    HE1  PHE 379           HE1      PHE 379   3.227   3.206   6.146
  818    HE2  PHE 379           HE2      PHE 379   0.667   6.610   5.945
  819    HZ   PHE 379           HZ       PHE 379   2.908   5.613   5.726
  820    H    LEU 380           H        LEU 380  -2.208   0.239   8.223
  821    HA   LEU 380           HA       LEU 380  -4.961   0.228   8.070
  822   1HB   LEU 380          1HB       LEU 380  -3.216  -1.938   9.249
  823   2HB   LEU 380          2HB       LEU 380  -4.845  -2.151   8.638
  824    HG   LEU 380           HG       LEU 380  -2.447  -1.366   6.981
  825   1HD1  LEU 380          1HD1      LEU 380  -3.964  -3.964   7.137
  826   2HD1  LEU 380          2HD1      LEU 380  -2.336  -3.676   7.749
  827   3HD1  LEU 380          3HD1      LEU 380  -2.652  -3.596   6.017
  828   1HD2  LEU 380          1HD2      LEU 380  -4.509  -0.412   6.105
  829   2HD2  LEU 380          2HD2      LEU 380  -5.282  -1.996   6.169
  830   3HD2  LEU 380          3HD2      LEU 380  -3.933  -1.718   5.068
  831    HA   PRO 381           HA       PRO 381  -6.325   1.120  12.190
  832   1HB   PRO 381          1HB       PRO 381  -8.821   0.101  12.112
  833   2HB   PRO 381          2HB       PRO 381  -8.369   1.564  11.228
  834   1HG   PRO 381          1HG       PRO 381  -8.627  -1.249  10.231
  835   2HG   PRO 381          2HG       PRO 381  -9.197   0.257   9.487
  836   1HD   PRO 381          1HD       PRO 381  -6.911  -0.986   8.721
  837   2HD   PRO 381          2HD       PRO 381  -7.119   0.774   8.644
  838    H    ASP 382           H        ASP 382  -6.596   0.196  14.192
  839    HA   ASP 382           HA       ASP 382  -6.414  -1.343  15.842
  840   1HB   ASP 382          1HB       ASP 382  -7.702  -3.121  13.765
  841   2HB   ASP 382          2HB       ASP 382  -7.442  -3.594  15.442
  842    H    ALA 383           H        ALA 383  -5.888  -3.651  13.200
  843    HA   ALA 383           HA       ALA 383  -4.139  -5.009  12.691
  844   1HB   ALA 383          1HB       ALA 383  -3.092  -2.879  12.085
  845   2HB   ALA 383          2HB       ALA 383  -1.912  -4.031  12.708
  846   3HB   ALA 383          3HB       ALA 383  -2.482  -2.713  13.733
  Start of MODEL   19
    1   1H    ARG   6          1H        ARG   6  -7.919   8.296   1.418
    2   2H    ARG   6          2H        ARG   6  -7.905   9.584   2.512
    3   3H    ARG   6          3H        ARG   6  -9.357   8.797   2.154
    4    HA   ARG   6           HA       ARG   6  -8.504   8.140   4.316
    5   1HB   ARG   6          1HB       ARG   6  -9.836   6.570   2.924
    6   2HB   ARG   6          2HB       ARG   6  -8.341   5.927   2.260
    7   1HG   ARG   6          1HG       ARG   6  -7.669   5.164   4.473
    8   2HG   ARG   6          2HG       ARG   6  -9.149   5.836   5.160
    9   1HD   ARG   6          1HD       ARG   6 -10.465   4.327   3.719
   10   2HD   ARG   6          2HD       ARG   6  -8.965   3.627   3.114
   11    HE   ARG   6           HE       ARG   6  -8.915   3.433   5.886
   12   1HH1  ARG   6          1HH1      ARG   6 -10.790   2.197   3.222
   13   2HH1  ARG   6          2HH1      ARG   6 -11.201   0.721   4.030
   14   1HH2  ARG   6          1HH2      ARG   6  -9.453   1.497   6.957
   15   2HH2  ARG   6          2HH2      ARG   6 -10.443   0.324   6.153
   16    H    MET   7           H        MET   7  -6.695   8.259   5.455
   17    HA   MET   7           HA       MET   7  -4.120   7.981   4.228
   18   1HB   MET   7          1HB       MET   7  -3.308   8.302   6.619
   19   2HB   MET   7          2HB       MET   7  -4.240   9.618   5.920
   20   1HG   MET   7          1HG       MET   7  -6.194   8.962   7.142
   21   2HG   MET   7          2HG       MET   7  -5.390   7.508   7.730
   22   1HE   MET   7          1HE       MET   7  -3.502   7.470   9.531
   23   2HE   MET   7          2HE       MET   7  -2.738   8.915  10.196
   24   3HE   MET   7          3HE       MET   7  -2.504   8.494   8.500
   25    H    ASN   8           H        ASN   8  -3.784   5.911   3.543
   26    HA   ASN   8           HA       ASN   8  -2.892   4.025   5.456
   27   1HB   ASN   8          1HB       ASN   8  -5.221   3.563   5.847
   28   2HB   ASN   8          2HB       ASN   8  -5.544   3.458   4.120
   29   1HD2  ASN   8          1HD2      ASN   8  -2.616   2.108   5.323
   30   2HD2  ASN   8          2HD2      ASN   8  -3.083   0.448   5.215
   31    H    ILE   9           H        ILE   9  -4.569   2.999   2.553
   32    HA   ILE   9           HA       ILE   9  -1.988   2.228   1.410
   33    HB   ILE   9           HB       ILE   9  -4.797   1.339   0.756
   34   1HG1  ILE   9          1HG1      ILE   9  -2.411  -0.026   2.025
   35   2HG1  ILE   9          2HG1      ILE   9  -3.937   0.378   2.802
   36   1HG2  ILE   9          1HG2      ILE   9  -2.206   0.485  -0.536
   37   2HG2  ILE   9          2HG2      ILE   9  -3.474   1.449  -1.294
   38   3HG2  ILE   9          3HG2      ILE   9  -3.793  -0.223  -0.837
   39   1HD1  ILE   9          1HD1      ILE   9  -3.605  -1.616   0.573
   40   2HD1  ILE   9          2HD1      ILE   9  -5.092  -1.256   1.451
   41   3HD1  ILE   9          3HD1      ILE   9  -3.734  -2.005   2.289
   42    H    GLN  10           H        GLN  10  -4.894   4.090   0.689
   43    HA   GLN  10           HA       GLN  10  -4.359   4.725  -1.977
   44   1HB   GLN  10          1HB       GLN  10  -5.697   6.458   0.113
   45   2HB   GLN  10          2HB       GLN  10  -5.809   6.681  -1.627
   46   1HG   GLN  10          1HG       GLN  10  -6.933   4.529  -1.839
   47   2HG   GLN  10          2HG       GLN  10  -6.806   4.288  -0.097
   48   1HE2  GLN  10          1HE2      GLN  10  -9.167   4.425  -1.809
   49   2HE2  GLN  10          2HE2      GLN  10 -10.145   5.699  -1.173
   50    H    MET  11           H        MET  11  -2.997   5.890   0.988
   51    HA   MET  11           HA       MET  11  -1.793   8.254  -0.022
   52   1HB   MET  11          1HB       MET  11  -1.462   6.572   2.433
   53   2HB   MET  11          2HB       MET  11  -0.253   7.797   2.066
   54   1HG   MET  11          1HG       MET  11  -3.202   8.308   2.375
   55   2HG   MET  11          2HG       MET  11  -1.979   8.599   3.610
   56   1HE   MET  11          1HE       MET  11  -2.815  12.254   2.642
   57   2HE   MET  11          2HE       MET  11  -2.729  11.043   3.922
   58   3HE   MET  11          3HE       MET  11  -3.983  10.934   2.687
   59    H    LEU  12           H        LEU  12  -0.504   5.006   0.657
   60    HA   LEU  12           HA       LEU  12   2.105   5.475  -0.247
   61   1HB   LEU  12          1HB       LEU  12   0.600   2.862  -0.371
   62   2HB   LEU  12          2HB       LEU  12   2.341   3.069  -0.346
   63    HG   LEU  12           HG       LEU  12   0.501   3.815   1.930
   64   1HD1  LEU  12          1HD1      LEU  12   0.543   1.393   1.534
   65   2HD1  LEU  12          2HD1      LEU  12   1.337   1.833   3.046
   66   3HD1  LEU  12          3HD1      LEU  12   2.304   1.418   1.631
   67   1HD2  LEU  12          1HD2      LEU  12   2.544   5.128   1.887
   68   2HD2  LEU  12          2HD2      LEU  12   3.507   3.657   1.743
   69   3HD2  LEU  12          3HD2      LEU  12   2.587   3.967   3.215
   70    H    LEU  13           H        LEU  13  -0.818   4.540  -1.955
   71    HA   LEU  13           HA       LEU  13   0.402   3.867  -4.414
   72   1HB   LEU  13          1HB       LEU  13  -2.389   4.750  -3.710
   73   2HB   LEU  13          2HB       LEU  13  -1.918   4.322  -5.345
   74    HG   LEU  13           HG       LEU  13  -1.687   2.444  -2.994
   75   1HD1  LEU  13          1HD1      LEU  13  -4.021   2.981  -3.353
   76   2HD1  LEU  13          2HD1      LEU  13  -3.679   1.344  -3.910
   77   3HD1  LEU  13          3HD1      LEU  13  -3.853   2.654  -5.078
   78   1HD2  LEU  13          1HD2      LEU  13  -0.176   1.922  -4.818
   79   2HD2  LEU  13          2HD2      LEU  13  -1.505   2.016  -5.974
   80   3HD2  LEU  13          3HD2      LEU  13  -1.483   0.739  -4.757
   81    H    GLU  14           H        GLU  14  -1.299   6.839  -3.412
   82    HA   GLU  14           HA       GLU  14  -0.813   8.316  -5.723
   83   1HB   GLU  14          1HB       GLU  14  -1.149   9.227  -2.863
   84   2HB   GLU  14          2HB       GLU  14  -1.107  10.325  -4.234
   85   1HG   GLU  14          1HG       GLU  14  -3.122   8.132  -3.802
   86   2HG   GLU  14          2HG       GLU  14  -3.386   9.851  -3.517
   87    H    ALA  15           H        ALA  15   1.214   7.694  -2.939
   88    HA   ALA  15           HA       ALA  15   3.188   9.653  -3.469
   89   1HB   ALA  15          1HB       ALA  15   3.459   7.046  -1.975
   90   2HB   ALA  15          2HB       ALA  15   2.937   8.580  -1.280
   91   3HB   ALA  15          3HB       ALA  15   4.578   8.407  -1.903
   92    H    ALA  16           H        ALA  16   2.959   6.199  -4.274
   93    HA   ALA  16           HA       ALA  16   5.446   5.996  -5.573
   94   1HB   ALA  16          1HB       ALA  16   4.593   3.924  -6.520
   95   2HB   ALA  16          2HB       ALA  16   2.951   4.370  -6.056
   96   3HB   ALA  16          3HB       ALA  16   4.162   4.050  -4.814
   97    H    ASP  17           H        ASP  17   2.230   6.858  -6.746
   98    HA   ASP  17           HA       ASP  17   2.907   6.901  -9.502
   99   1HB   ASP  17          1HB       ASP  17   0.574   6.753  -8.616
  100   2HB   ASP  17          2HB       ASP  17   0.701   8.434  -8.107
  101    H    TYR  18           H        TYR  18   3.008   9.278  -6.924
  102    HA   TYR  18           HA       TYR  18   3.451  11.570  -8.504
  103   1HB   TYR  18          1HB       TYR  18   2.790  11.773  -6.182
  104   2HB   TYR  18          2HB       TYR  18   4.249  10.945  -5.653
  105    HD1  TYR  18           HD1      TYR  18   2.862  14.097  -6.901
  106    HD2  TYR  18           HD2      TYR  18   6.391  12.095  -5.617
  107    HE1  TYR  18           HE1      TYR  18   4.011  16.263  -6.700
  108    HE2  TYR  18           HE2      TYR  18   7.547  14.254  -5.410
  109    HH   TYR  18           HH       TYR  18   5.923  17.226  -5.480
  110    H    LEU  19           H        LEU  19   5.797   9.665  -6.610
  111    HA   LEU  19           HA       LEU  19   8.100  10.909  -7.557
  112   1HB   LEU  19          1HB       LEU  19   7.884   8.008  -6.773
  113   2HB   LEU  19          2HB       LEU  19   9.310   9.026  -6.696
  114    HG   LEU  19           HG       LEU  19   6.837   9.467  -5.032
  115   1HD1  LEU  19          1HD1      LEU  19   9.438   8.124  -4.309
  116   2HD1  LEU  19          2HD1      LEU  19   7.860   7.348  -4.436
  117   3HD1  LEU  19          3HD1      LEU  19   8.153   8.545  -3.176
  118   1HD2  LEU  19          1HD2      LEU  19   8.268  10.956  -3.747
  119   2HD2  LEU  19          2HD2      LEU  19   8.197  11.466  -5.434
  120   3HD2  LEU  19          3HD2      LEU  19   9.619  10.615  -4.829
  121    H    GLU  20           H        GLU  20   6.385   8.068  -8.793
  122    HA   GLU  20           HA       GLU  20   8.183   7.298 -10.771
  123   1HB   GLU  20          1HB       GLU  20   6.214   5.968 -10.112
  124   2HB   GLU  20          2HB       GLU  20   5.162   7.156 -10.872
  125   1HG   GLU  20          1HG       GLU  20   5.434   5.244 -12.313
  126   2HG   GLU  20          2HG       GLU  20   6.187   6.662 -13.042
  127    H    ARG  21           H        ARG  21   5.501   9.616 -10.954
  128    HA   ARG  21           HA       ARG  21   6.729  10.707 -13.399
  129   1HB   ARG  21          1HB       ARG  21   3.778  10.408 -12.807
  130   2HB   ARG  21          2HB       ARG  21   4.442  11.260 -14.195
  131   1HG   ARG  21          1HG       ARG  21   4.893   8.340 -13.615
  132   2HG   ARG  21          2HG       ARG  21   3.655   8.969 -14.704
  133   1HD   ARG  21          1HD       ARG  21   6.634   9.352 -14.989
  134   2HD   ARG  21          2HD       ARG  21   5.638   8.249 -15.936
  135    HE   ARG  21           HE       ARG  21   4.622  10.864 -16.165
  136   1HH1  ARG  21          1HH1      ARG  21   7.338   8.927 -17.169
  137   2HH1  ARG  21          2HH1      ARG  21   7.619   9.839 -18.615
  138   1HH2  ARG  21          1HH2      ARG  21   4.987  12.073 -18.061
  139   2HH2  ARG  21          2HH2      ARG  21   6.284  11.631 -19.121
  140   1H    SER 295          1H        SER 295  -5.205  18.114  -1.006
  141   2H    SER 295          2H        SER 295  -3.528  18.176  -1.216
  142   3H    SER 295          3H        SER 295  -4.178  17.546   0.213
  143    HA   SER 295           HA       SER 295  -4.498  16.376  -2.487
  144   1HB   SER 295          1HB       SER 295  -2.204  16.141  -1.631
  145   2HB   SER 295          2HB       SER 295  -2.830  15.451  -0.133
  146    HG   SER 295           HG       SER 295  -3.849  14.107  -2.201
  147    H    LEU 296           H        LEU 296  -4.615  15.481   0.965
  148    HA   LEU 296           HA       LEU 296  -6.995  13.858   0.383
  149   1HB   LEU 296          1HB       LEU 296  -4.757  13.062   1.592
  150   2HB   LEU 296          2HB       LEU 296  -5.579  13.707   2.998
  151    HG   LEU 296           HG       LEU 296  -5.977  11.340   2.878
  152   1HD1  LEU 296          1HD1      LEU 296  -8.405  11.269   2.839
  153   2HD1  LEU 296          2HD1      LEU 296  -8.451  12.827   2.014
  154   3HD1  LEU 296          3HD1      LEU 296  -7.833  12.721   3.662
  155   1HD2  LEU 296          1HD2      LEU 296  -7.138  10.323   0.962
  156   2HD2  LEU 296          2HD2      LEU 296  -5.556  10.971   0.527
  157   3HD2  LEU 296          3HD2      LEU 296  -7.020  11.857   0.098
  158    H    GLN 297           H        GLN 297  -5.729  15.837   3.071
  159    HA   GLN 297           HA       GLN 297  -8.492  16.701   3.619
  160   1HB   GLN 297          1HB       GLN 297  -6.152  16.560   5.530
  161   2HB   GLN 297          2HB       GLN 297  -7.785  17.067   5.939
  162   1HG   GLN 297          1HG       GLN 297  -8.631  14.856   5.490
  163   2HG   GLN 297          2HG       GLN 297  -7.043  14.328   4.935
  164   1HE2  GLN 297          1HE2      GLN 297  -5.652  15.830   7.023
  165   2HE2  GLN 297          2HE2      GLN 297  -5.882  14.938   8.485
  166    H    ASN 298           H        ASN 298  -8.195  18.847   5.150
  167    HA   ASN 298           HA       ASN 298  -7.023  20.797   3.330
  168   1HB   ASN 298          1HB       ASN 298  -8.758  21.172   5.782
  169   2HB   ASN 298          2HB       ASN 298  -8.225  22.465   4.713
  170   1HD2  ASN 298          1HD2      ASN 298 -10.309  23.042   4.174
  171   2HD2  ASN 298          2HD2      ASN 298 -11.304  22.074   3.144
  172    H    ASN 299           H        ASN 299  -5.881  19.022   5.788
  173    HA   ASN 299           HA       ASN 299  -4.362  21.155   7.088
  174   1HB   ASN 299          1HB       ASN 299  -4.558  18.199   7.693
  175   2HB   ASN 299          2HB       ASN 299  -3.603  19.351   8.620
  176   1HD2  ASN 299          1HD2      ASN 299  -5.835  17.665   9.445
  177   2HD2  ASN 299          2HD2      ASN 299  -7.034  18.736  10.078
  178    H    GLN 300           H        GLN 300  -2.007  20.185   7.701
  179    HA   GLN 300           HA       GLN 300  -0.496  20.355   5.355
  180   1HB   GLN 300          1HB       GLN 300   0.318  19.208   8.033
  181   2HB   GLN 300          2HB       GLN 300   1.419  19.695   6.753
  182   1HG   GLN 300          1HG       GLN 300   0.799  21.973   6.979
  183   2HG   GLN 300          2HG       GLN 300  -0.499  21.569   8.102
  184   1HE2  GLN 300          1HE2      GLN 300   0.011  21.002  10.217
  185   2HE2  GLN 300          2HE2      GLN 300   1.558  21.331  10.910
  186    HA   PRO 301           HA       PRO 301  -0.668  16.143   3.935
  187   1HB   PRO 301          1HB       PRO 301   1.149  16.240   1.989
  188   2HB   PRO 301          2HB       PRO 301  -0.348  17.176   1.877
  189   1HG   PRO 301          1HG       PRO 301   2.397  18.081   2.654
  190   2HG   PRO 301          2HG       PRO 301   1.213  18.878   1.602
  191   1HD   PRO 301          1HD       PRO 301   1.614  19.508   4.257
  192   2HD   PRO 301          2HD       PRO 301   0.112  19.824   3.368
  193    H    VAL 302           H        VAL 302   0.771  16.388   6.341
  194    HA   VAL 302           HA       VAL 302   3.431  15.563   6.274
  195    HB   VAL 302           HB       VAL 302   1.384  14.817   8.366
  196   1HG1  VAL 302          1HG1      VAL 302   3.444  13.552   8.574
  197   2HG1  VAL 302          2HG1      VAL 302   3.322  14.737   9.875
  198   3HG1  VAL 302          3HG1      VAL 302   4.389  15.041   8.503
  199   1HG2  VAL 302          1HG2      VAL 302   1.367  17.215   7.990
  200   2HG2  VAL 302          2HG2      VAL 302   3.122  17.273   8.140
  201   3HG2  VAL 302          3HG2      VAL 302   2.133  16.851   9.537
  202    H    GLU 303           H        GLU 303   0.471  13.590   6.435
  203    HA   GLU 303           HA       GLU 303   1.716  11.088   6.560
  204   1HB   GLU 303          1HB       GLU 303  -0.723  11.582   6.942
  205   2HB   GLU 303          2HB       GLU 303  -0.908  11.667   5.195
  206   1HG   GLU 303          1HG       GLU 303  -1.563   9.495   6.111
  207   2HG   GLU 303          2HG       GLU 303  -0.234   9.369   4.963
  208    H    PHE 304           H        PHE 304   1.028  13.197   3.859
  209    HA   PHE 304           HA       PHE 304   1.428  11.358   1.766
  210   1HB   PHE 304          1HB       PHE 304   0.405  13.602   1.485
  211   2HB   PHE 304          2HB       PHE 304   1.977  14.336   1.775
  212    HD1  PHE 304           HD1      PHE 304   0.118  12.112  -0.528
  213    HD2  PHE 304           HD2      PHE 304   3.514  14.614   0.037
  214    HE1  PHE 304           HE1      PHE 304   0.623  11.963  -2.930
  215    HE2  PHE 304           HE2      PHE 304   4.025  14.468  -2.365
  216    HZ   PHE 304           HZ       PHE 304   2.579  13.142  -3.852
  217    H    ASN 305           H        ASN 305   3.661  13.650   3.320
  218    HA   ASN 305           HA       ASN 305   5.944  13.015   1.844
  219   1HB   ASN 305          1HB       ASN 305   5.790  14.979   3.319
  220   2HB   ASN 305          2HB       ASN 305   5.766  13.920   4.727
  221   1HD2  ASN 305          1HD2      ASN 305   7.645  12.875   5.357
  222   2HD2  ASN 305          2HD2      ASN 305   9.201  13.347   4.772
  223    H    HIS 306           H        HIS 306   4.780  11.687   4.932
  224    HA   HIS 306           HA       HIS 306   6.868   9.911   5.416
  225   1HB   HIS 306          1HB       HIS 306   5.082  10.438   7.048
  226   2HB   HIS 306          2HB       HIS 306   3.940   9.516   6.077
  227    HD1  HIS 306           HD1      HIS 306   6.831   9.104   8.418
  228    HD2  HIS 306           HD2      HIS 306   4.137   6.739   6.319
  229    HE1  HIS 306           HE1      HIS 306   7.103   6.786   9.352
  230    HE2  HIS 306           HE2      HIS 306   5.402   5.388   8.127
  231    H    ALA 307           H        ALA 307   3.958   9.543   3.452
  232    HA   ALA 307           HA       ALA 307   4.220   6.818   2.840
  233   1HB   ALA 307          1HB       ALA 307   2.746   7.270   0.952
  234   2HB   ALA 307          2HB       ALA 307   3.020   9.002   1.137
  235   3HB   ALA 307          3HB       ALA 307   2.178   8.103   2.400
  236    H    ILE 308           H        ILE 308   5.496   9.713   1.252
  237    HA   ILE 308           HA       ILE 308   6.664   8.443  -0.964
  238    HB   ILE 308           HB       ILE 308   7.356  11.014   0.450
  239   1HG1  ILE 308          1HG1      ILE 308   6.018  10.422  -2.202
  240   2HG1  ILE 308          2HG1      ILE 308   5.197  10.929  -0.730
  241   1HG2  ILE 308          1HG2      ILE 308   8.567   9.879  -2.067
  242   2HG2  ILE 308          2HG2      ILE 308   9.399  10.261  -0.561
  243   3HG2  ILE 308          3HG2      ILE 308   8.731  11.557  -1.551
  244   1HD1  ILE 308          1HD1      ILE 308   7.216  12.554  -2.261
  245   2HD1  ILE 308          2HD1      ILE 308   6.353  13.066  -0.809
  246   3HD1  ILE 308          3HD1      ILE 308   5.466  12.768  -2.304
  247    H    ASN 309           H        ASN 309   7.895   9.097   2.286
  248    HA   ASN 309           HA       ASN 309  10.555   8.293   1.846
  249   1HB   ASN 309          1HB       ASN 309   9.869   9.552   3.834
  250   2HB   ASN 309          2HB       ASN 309   8.923   8.176   4.393
  251   1HD2  ASN 309          1HD2      ASN 309  12.057   7.935   2.853
  252   2HD2  ASN 309          2HD2      ASN 309  12.909   7.366   4.244
  253    H    TYR 310           H        TYR 310   7.706   6.488   2.934
  254    HA   TYR 310           HA       TYR 310   8.974   4.033   3.426
  255   1HB   TYR 310          1HB       TYR 310   6.676   4.608   4.160
  256   2HB   TYR 310          2HB       TYR 310   6.136   4.514   2.488
  257    HD1  TYR 310           HD1      TYR 310   5.310   2.505   1.667
  258    HD2  TYR 310           HD2      TYR 310   7.780   2.459   5.132
  259    HE1  TYR 310           HE1      TYR 310   4.864   0.103   1.947
  260    HE2  TYR 310           HE2      TYR 310   7.343   0.057   5.420
  261    HH   TYR 310           HH       TYR 310   5.548  -1.579   4.761
  262    H    VAL 311           H        VAL 311   7.151   5.083   0.544
  263    HA   VAL 311           HA       VAL 311   7.655   2.835  -1.031
  264    HB   VAL 311           HB       VAL 311   7.233   5.685  -1.948
  265   1HG1  VAL 311          1HG1      VAL 311   6.430   4.637  -4.045
  266   2HG1  VAL 311          2HG1      VAL 311   6.986   3.076  -3.439
  267   3HG1  VAL 311          3HG1      VAL 311   8.148   4.367  -3.746
  268   1HG2  VAL 311          1HG2      VAL 311   4.886   5.024  -2.200
  269   2HG2  VAL 311          2HG2      VAL 311   5.426   4.891  -0.527
  270   3HG2  VAL 311          3HG2      VAL 311   5.263   3.442  -1.518
  271    H    ASN 312           H        ASN 312   9.562   5.725  -0.459
  272    HA   ASN 312           HA       ASN 312  11.457   5.328  -2.518
  273   1HB   ASN 312          1HB       ASN 312  11.226   7.495  -1.445
  274   2HB   ASN 312          2HB       ASN 312  11.673   6.809   0.113
  275   1HD2  ASN 312          1HD2      ASN 312  12.810   7.769  -3.033
  276   2HD2  ASN 312          2HD2      ASN 312  14.493   7.785  -2.640
  277    H    LYS 313           H        LYS 313  11.260   4.257   0.830
  278    HA   LYS 313           HA       LYS 313  13.856   3.187   1.038
  279   1HB   LYS 313          1HB       LYS 313  12.511   3.594   3.014
  280   2HB   LYS 313          2HB       LYS 313  11.303   2.437   2.474
  281   1HG   LYS 313          1HG       LYS 313  13.000   0.645   2.660
  282   2HG   LYS 313          2HG       LYS 313  14.129   1.831   3.318
  283   1HD   LYS 313          1HD       LYS 313  11.439   1.198   4.527
  284   2HD   LYS 313          2HD       LYS 313  12.956   0.459   5.044
  285   1HE   LYS 313          1HE       LYS 313  13.835   2.684   5.596
  286   2HE   LYS 313          2HE       LYS 313  12.304   3.405   5.101
  287   1HZ   LYS 313          1HZ       LYS 313  11.199   2.138   6.849
  288   2HZ   LYS 313          2HZ       LYS 313  12.401   3.142   7.489
  289   3HZ   LYS 313          3HZ       LYS 313  12.682   1.482   7.333
  290    H    ILE 314           H        ILE 314  10.751   1.677   0.175
  291    HA   ILE 314           HA       ILE 314  11.787  -0.920  -0.221
  292    HB   ILE 314           HB       ILE 314   9.355   0.334  -1.503
  293   1HG1  ILE 314          1HG1      ILE 314   9.616  -1.333   1.012
  294   2HG1  ILE 314          2HG1      ILE 314   9.306   0.399   0.965
  295   1HG2  ILE 314          1HG2      ILE 314   8.582  -1.967  -1.808
  296   2HG2  ILE 314          2HG2      ILE 314  10.102  -2.566  -1.145
  297   3HG2  ILE 314          3HG2      ILE 314  10.093  -1.678  -2.669
  298   1HD1  ILE 314          1HD1      ILE 314   7.177   0.002  -0.136
  299   2HD1  ILE 314          2HD1      ILE 314   7.276  -0.874   1.392
  300   3HD1  ILE 314          3HD1      ILE 314   7.491  -1.735  -0.132
  301    H    LYS 315           H        LYS 315  11.303   1.800  -2.432
  302    HA   LYS 315           HA       LYS 315  11.977   0.437  -4.805
  303   1HB   LYS 315          1HB       LYS 315  10.800   2.629  -4.701
  304   2HB   LYS 315          2HB       LYS 315  12.311   3.379  -4.204
  305   1HG   LYS 315          1HG       LYS 315  13.341   2.779  -6.313
  306   2HG   LYS 315          2HG       LYS 315  11.871   1.940  -6.812
  307   1HD   LYS 315          1HD       LYS 315  10.635   4.065  -6.688
  308   2HD   LYS 315          2HD       LYS 315  12.128   4.891  -6.235
  309   1HE   LYS 315          1HE       LYS 315  11.614   3.429  -8.822
  310   2HE   LYS 315          2HE       LYS 315  11.663   5.178  -8.609
  311   1HZ   LYS 315          1HZ       LYS 315  13.933   3.312  -8.173
  312   2HZ   LYS 315          2HZ       LYS 315  13.987   4.988  -7.953
  313   3HZ   LYS 315          3HZ       LYS 315  13.741   4.347  -9.498
  314    H    ASN 316           H        ASN 316  13.924   2.031  -2.363
  315    HA   ASN 316           HA       ASN 316  16.338   1.993  -3.913
  316   1HB   ASN 316          1HB       ASN 316  15.774   2.511  -0.995
  317   2HB   ASN 316          2HB       ASN 316  17.399   2.544  -1.670
  318   1HD2  ASN 316          1HD2      ASN 316  15.900   4.680  -0.430
  319   2HD2  ASN 316          2HD2      ASN 316  15.774   5.939  -1.605
  320    H    ARG 317           H        ARG 317  15.072   0.061  -1.217
  321    HA   ARG 317           HA       ARG 317  17.334  -1.649  -1.051
  322   1HB   ARG 317          1HB       ARG 317  14.499  -2.057  -0.088
  323   2HB   ARG 317          2HB       ARG 317  15.869  -3.066   0.356
  324   1HG   ARG 317          1HG       ARG 317  15.645  -0.121   0.939
  325   2HG   ARG 317          2HG       ARG 317  15.273  -1.411   2.083
  326   1HD   ARG 317          1HD       ARG 317  17.574  -2.212   1.940
  327   2HD   ARG 317          2HD       ARG 317  17.950  -0.947   0.770
  328    HE   ARG 317           HE       ARG 317  16.997   0.393   2.951
  329   1HH1  ARG 317          1HH1      ARG 317  19.566  -1.893   2.386
  330   2HH1  ARG 317          2HH1      ARG 317  20.574  -1.267   3.648
  331   1HH2  ARG 317          1HH2      ARG 317  18.320   1.225   4.612
  332   2HH2  ARG 317          2HH2      ARG 317  19.866   0.503   4.913
  333    H    PHE 318           H        PHE 318  14.687  -1.504  -3.200
  334    HA   PHE 318           HA       PHE 318  15.393  -4.165  -4.242
  335   1HB   PHE 318          1HB       PHE 318  12.657  -2.892  -4.098
  336   2HB   PHE 318          2HB       PHE 318  13.016  -4.347  -5.022
  337    HD1  PHE 318           HD1      PHE 318  14.030  -6.324  -3.719
  338    HD2  PHE 318           HD2      PHE 318  12.031  -3.054  -1.872
  339    HE1  PHE 318           HE1      PHE 318  13.642  -7.699  -1.717
  340    HE2  PHE 318           HE2      PHE 318  11.640  -4.421   0.136
  341    HZ   PHE 318           HZ       PHE 318  12.445  -6.748   0.215
  342    H    GLN 319           H        GLN 319  16.357  -1.450  -4.915
  343    HA   GLN 319           HA       GLN 319  15.269  -0.485  -7.295
  344   1HB   GLN 319          1HB       GLN 319  16.917   0.754  -5.969
  345   2HB   GLN 319          2HB       GLN 319  18.147  -0.434  -6.369
  346   1HG   GLN 319          1HG       GLN 319  18.533   1.429  -7.755
  347   2HG   GLN 319          2HG       GLN 319  17.817   0.185  -8.780
  348   1HE2  GLN 319          1HE2      GLN 319  17.919   3.094  -9.097
  349   2HE2  GLN 319          2HE2      GLN 319  16.278   3.612  -9.254
  350    H    GLY 320           H        GLY 320  17.715  -2.977  -6.730
  351   1HA   GLY 320          1HA       GLY 320  18.159  -3.419  -9.544
  352   2HA   GLY 320          2HA       GLY 320  18.815  -4.370  -8.220
  353    H    GLN 321           H        GLN 321  15.845  -4.468  -7.277
  354    HA   GLN 321           HA       GLN 321  15.069  -6.685  -9.059
  355   1HB   GLN 321          1HB       GLN 321  14.502  -6.435  -6.101
  356   2HB   GLN 321          2HB       GLN 321  14.076  -7.793  -7.131
  357   1HG   GLN 321          1HG       GLN 321  16.864  -6.898  -6.432
  358   2HG   GLN 321          2HG       GLN 321  16.021  -8.302  -5.780
  359   1HE2  GLN 321          1HE2      GLN 321  18.537  -8.128  -7.259
  360   2HE2  GLN 321          2HE2      GLN 321  18.345  -9.143  -8.644
  361    HA   PRO 322           HA       PRO 322  11.707  -3.520  -9.316
  362   1HB   PRO 322          1HB       PRO 322  11.068  -4.069 -11.902
  363   2HB   PRO 322          2HB       PRO 322  12.348  -2.941 -11.442
  364   1HG   PRO 322          1HG       PRO 322  12.560  -5.799 -12.306
  365   2HG   PRO 322          2HG       PRO 322  13.566  -4.413 -12.768
  366   1HD   PRO 322          1HD       PRO 322  14.351  -6.215 -10.911
  367   2HD   PRO 322          2HD       PRO 322  14.804  -4.501 -10.822
  368    H    ASP 323           H        ASP 323  11.922  -6.896  -9.587
  369    HA   ASP 323           HA       ASP 323   9.225  -7.503 -10.242
  370   1HB   ASP 323          1HB       ASP 323  11.234  -9.197  -8.743
  371   2HB   ASP 323          2HB       ASP 323   9.764  -9.772  -9.523
  372    H    ILE 324           H        ILE 324  10.986  -7.361  -7.156
  373    HA   ILE 324           HA       ILE 324   8.824  -8.079  -5.508
  374    HB   ILE 324           HB       ILE 324  11.142  -6.302  -4.748
  375   1HG1  ILE 324          1HG1      ILE 324  11.978  -8.344  -5.794
  376   2HG1  ILE 324          2HG1      ILE 324  12.281  -8.382  -4.062
  377   1HG2  ILE 324          1HG2      ILE 324  10.772  -7.214  -2.500
  378   2HG2  ILE 324          2HG2      ILE 324   9.375  -8.106  -3.100
  379   3HG2  ILE 324          3HG2      ILE 324   9.361  -6.342  -3.100
  380   1HD1  ILE 324          1HD1      ILE 324  10.347  -9.855  -3.768
  381   2HD1  ILE 324          2HD1      ILE 324  11.551 -10.545  -4.855
  382   3HD1  ILE 324          3HD1      ILE 324  10.078  -9.832  -5.510
  383    H    TYR 325           H        TYR 325  10.115  -4.870  -6.355
  384    HA   TYR 325           HA       TYR 325   8.296  -3.347  -4.881
  385   1HB   TYR 325          1HB       TYR 325  10.323  -2.390  -5.843
  386   2HB   TYR 325          2HB       TYR 325   9.707  -2.664  -7.468
  387    HD1  TYR 325           HD1      TYR 325   8.280  -1.124  -4.365
  388    HD2  TYR 325           HD2      TYR 325   9.163  -0.687  -8.504
  389    HE1  TYR 325           HE1      TYR 325   7.247   1.107  -4.345
  390    HE2  TYR 325           HE2      TYR 325   8.132   1.545  -8.495
  391    HH   TYR 325           HH       TYR 325   7.379   3.211  -5.663
  392    H    LYS 326           H        LYS 326   8.175  -4.274  -8.319
  393    HA   LYS 326           HA       LYS 326   5.729  -3.098  -8.939
  394   1HB   LYS 326          1HB       LYS 326   7.318  -4.059 -10.596
  395   2HB   LYS 326          2HB       LYS 326   6.841  -5.669 -10.080
  396   1HG   LYS 326          1HG       LYS 326   5.705  -5.078 -12.124
  397   2HG   LYS 326          2HG       LYS 326   4.542  -5.214 -10.805
  398   1HD   LYS 326          1HD       LYS 326   3.890  -3.274 -11.931
  399   2HD   LYS 326          2HD       LYS 326   4.822  -2.672 -10.561
  400   1HE   LYS 326          1HE       LYS 326   5.959  -3.096 -13.321
  401   2HE   LYS 326          2HE       LYS 326   5.325  -1.556 -12.743
  402   1HZ   LYS 326          1HZ       LYS 326   7.657  -3.046 -11.675
  403   2HZ   LYS 326          2HZ       LYS 326   6.984  -1.696 -10.914
  404   3HZ   LYS 326          3HZ       LYS 326   7.668  -1.543 -12.452
  405    H    ALA 327           H        ALA 327   6.465  -6.191  -7.441
  406    HA   ALA 327           HA       ALA 327   3.910  -7.343  -7.574
  407   1HB   ALA 327          1HB       ALA 327   6.005  -7.726  -5.435
  408   2HB   ALA 327          2HB       ALA 327   5.937  -8.594  -6.969
  409   3HB   ALA 327          3HB       ALA 327   4.653  -8.804  -5.779
  410    H    PHE 328           H        PHE 328   5.444  -5.470  -4.960
  411    HA   PHE 328           HA       PHE 328   3.335  -5.437  -3.162
  412   1HB   PHE 328          1HB       PHE 328   5.580  -4.612  -2.623
  413   2HB   PHE 328          2HB       PHE 328   5.362  -3.258  -3.724
  414    HD1  PHE 328           HD1      PHE 328   5.268  -1.311  -2.527
  415    HD2  PHE 328           HD2      PHE 328   3.189  -4.721  -1.055
  416    HE1  PHE 328           HE1      PHE 328   4.368   0.040  -0.678
  417    HE2  PHE 328           HE2      PHE 328   2.287  -3.377   0.795
  418    HZ   PHE 328           HZ       PHE 328   2.877  -0.993   0.986
  419    H    LEU 329           H        LEU 329   4.044  -3.175  -5.808
  420    HA   LEU 329           HA       LEU 329   1.918  -1.415  -5.417
  421   1HB   LEU 329          1HB       LEU 329   3.194  -2.269  -8.018
  422   2HB   LEU 329          2HB       LEU 329   2.161  -0.869  -7.817
  423    HG   LEU 329           HG       LEU 329   4.837  -1.252  -6.473
  424   1HD1  LEU 329          1HD1      LEU 329   5.112  -0.951  -8.854
  425   2HD1  LEU 329          2HD1      LEU 329   5.584   0.523  -8.009
  426   3HD1  LEU 329          3HD1      LEU 329   4.028   0.438  -8.833
  427   1HD2  LEU 329          1HD2      LEU 329   4.582   1.141  -5.904
  428   2HD2  LEU 329          2HD2      LEU 329   3.368   0.120  -5.134
  429   3HD2  LEU 329          3HD2      LEU 329   2.939   1.092  -6.541
  430    H    GLU 330           H        GLU 330   2.081  -4.380  -7.368
  431    HA   GLU 330           HA       GLU 330  -0.474  -4.283  -8.471
  432   1HB   GLU 330          1HB       GLU 330   1.270  -6.630  -7.731
  433   2HB   GLU 330          2HB       GLU 330  -0.255  -6.808  -8.587
  434   1HG   GLU 330          1HG       GLU 330   2.139  -5.254  -9.542
  435   2HG   GLU 330          2HG       GLU 330   1.627  -6.840 -10.117
  436    H    ILE 331           H        ILE 331   0.613  -5.607  -5.370
  437    HA   ILE 331           HA       ILE 331  -1.791  -6.800  -4.580
  438    HB   ILE 331           HB       ILE 331   0.267  -5.498  -2.790
  439   1HG1  ILE 331          1HG1      ILE 331   0.048  -8.384  -3.672
  440   2HG1  ILE 331          2HG1      ILE 331   1.189  -7.224  -4.340
  441   1HG2  ILE 331          1HG2      ILE 331  -0.585  -7.016  -1.068
  442   2HG2  ILE 331          2HG2      ILE 331  -1.809  -7.604  -2.193
  443   3HG2  ILE 331          3HG2      ILE 331  -1.843  -5.927  -1.650
  444   1HD1  ILE 331          1HD1      ILE 331   2.196  -6.971  -2.109
  445   2HD1  ILE 331          2HD1      ILE 331   2.283  -8.624  -2.717
  446   3HD1  ILE 331          3HD1      ILE 331   1.087  -8.196  -1.494
  447    H    LEU 332           H        LEU 332  -0.522  -3.563  -3.764
  448    HA   LEU 332           HA       LEU 332  -2.781  -2.697  -2.351
  449   1HB   LEU 332          1HB       LEU 332  -0.945  -0.929  -3.957
  450   2HB   LEU 332          2HB       LEU 332  -1.911  -0.473  -2.569
  451    HG   LEU 332           HG       LEU 332   0.603  -2.122  -2.625
  452   1HD1  LEU 332          1HD1      LEU 332   1.320  -0.457  -0.966
  453   2HD1  LEU 332          2HD1      LEU 332  -0.227   0.369  -1.150
  454   3HD1  LEU 332          3HD1      LEU 332   0.891   0.275  -2.512
  455   1HD2  LEU 332          1HD2      LEU 332   0.295  -2.523  -0.225
  456   2HD2  LEU 332          2HD2      LEU 332  -0.956  -3.313  -1.184
  457   3HD2  LEU 332          3HD2      LEU 332  -1.319  -1.820  -0.319
  458    H    HIS 333           H        HIS 333  -2.026  -2.598  -5.790
  459    HA   HIS 333           HA       HIS 333  -4.109  -0.904  -6.609
  460   1HB   HIS 333          1HB       HIS 333  -2.416  -2.962  -7.956
  461   2HB   HIS 333          2HB       HIS 333  -3.846  -2.377  -8.798
  462    HD1  HIS 333           HD1      HIS 333  -3.119  -0.695 -10.449
  463    HD2  HIS 333           HD2      HIS 333  -1.029  -0.342  -6.874
  464    HE1  HIS 333           HE1      HIS 333  -1.618   1.302 -10.741
  465    HE2  HIS 333           HE2      HIS 333  -0.407   1.533  -8.545
  466    H    THR 334           H        THR 334  -3.957  -4.445  -6.375
  467    HA   THR 334           HA       THR 334  -6.546  -4.989  -7.288
  468    HB   THR 334           HB       THR 334  -4.973  -6.564  -5.238
  469    HG1  THR 334           HG1      THR 334  -3.875  -7.385  -6.889
  470   1HG2  THR 334          1HG2      THR 334  -6.279  -8.474  -6.044
  471   2HG2  THR 334          2HG2      THR 334  -7.178  -7.409  -7.124
  472   3HG2  THR 334          3HG2      THR 334  -7.328  -7.223  -5.377
  473    H    TYR 335           H        TYR 335  -5.308  -4.230  -4.074
  474    HA   TYR 335           HA       TYR 335  -7.672  -4.699  -2.625
  475   1HB   TYR 335          1HB       TYR 335  -5.523  -4.451  -1.512
  476   2HB   TYR 335          2HB       TYR 335  -5.387  -2.792  -2.079
  477    HD1  TYR 335           HD1      TYR 335  -7.043  -5.029   0.310
  478    HD2  TYR 335           HD2      TYR 335  -6.634  -1.007  -1.018
  479    HE1  TYR 335           HE1      TYR 335  -8.149  -4.244   2.362
  480    HE2  TYR 335           HE2      TYR 335  -7.737  -0.211   1.032
  481    HH   TYR 335           HH       TYR 335  -8.285  -2.225   3.723
  482    H    GLN 336           H        GLN 336  -6.434  -1.813  -4.249
  483    HA   GLN 336           HA       GLN 336  -8.503  -0.075  -3.385
  484   1HB   GLN 336          1HB       GLN 336  -6.304   0.703  -4.220
  485   2HB   GLN 336          2HB       GLN 336  -6.741   0.151  -5.831
  486   1HG   GLN 336          1HG       GLN 336  -7.050   2.535  -5.650
  487   2HG   GLN 336          2HG       GLN 336  -8.605   1.734  -5.866
  488   1HE2  GLN 336          1HE2      GLN 336  -6.852   1.733  -2.851
  489   2HE2  GLN 336          2HE2      GLN 336  -7.948   2.748  -1.985
  490    H    LYS 337           H        LYS 337  -8.172  -2.304  -6.054
  491    HA   LYS 337           HA       LYS 337 -10.308  -1.299  -7.623
  492   1HB   LYS 337          1HB       LYS 337  -8.568  -2.763  -8.536
  493   2HB   LYS 337          2HB       LYS 337  -9.144  -4.085  -7.532
  494   1HG   LYS 337          1HG       LYS 337 -11.230  -4.151  -8.724
  495   2HG   LYS 337          2HG       LYS 337 -10.790  -2.713  -9.647
  496   1HD   LYS 337          1HD       LYS 337  -9.266  -5.314  -9.723
  497   2HD   LYS 337          2HD       LYS 337 -10.498  -4.850 -10.897
  498   1HE   LYS 337          1HE       LYS 337  -9.175  -2.877 -11.498
  499   2HE   LYS 337          2HE       LYS 337  -7.946  -3.342 -10.322
  500   1HZ   LYS 337          1HZ       LYS 337  -7.311  -4.016 -12.541
  501   2HZ   LYS 337          2HZ       LYS 337  -8.740  -4.902 -12.723
  502   3HZ   LYS 337          3HZ       LYS 337  -7.588  -5.385 -11.584
  503    H    GLU 338           H        GLU 338 -10.110  -4.088  -5.413
  504    HA   GLU 338           HA       GLU 338 -12.849  -4.743  -5.556
  505   1HB   GLU 338          1HB       GLU 338 -10.940  -5.291  -3.276
  506   2HB   GLU 338          2HB       GLU 338 -12.442  -6.140  -3.611
  507   1HG   GLU 338          1HG       GLU 338  -9.972  -6.142  -5.329
  508   2HG   GLU 338          2HG       GLU 338 -10.543  -7.461  -4.309
  509    H    GLN 339           H        GLN 339 -11.038  -2.514  -3.549
  510    HA   GLN 339           HA       GLN 339 -13.022  -2.045  -1.595
  511   1HB   GLN 339          1HB       GLN 339 -10.654  -1.415  -1.318
  512   2HB   GLN 339          2HB       GLN 339 -10.840  -0.192  -2.566
  513   1HG   GLN 339          1HG       GLN 339 -12.451   0.995  -1.186
  514   2HG   GLN 339          2HG       GLN 339 -12.312  -0.245   0.059
  515   1HE2  GLN 339          1HE2      GLN 339 -11.598   1.202   1.609
  516   2HE2  GLN 339          2HE2      GLN 339 -10.018   1.900   1.571
  517    H    ARG 340           H        ARG 340 -12.101  -0.106  -4.443
  518    HA   ARG 340           HA       ARG 340 -14.175   1.770  -4.216
  519   1HB   ARG 340          1HB       ARG 340 -12.140   2.076  -5.601
  520   2HB   ARG 340          2HB       ARG 340 -12.757   0.878  -6.732
  521   1HG   ARG 340          1HG       ARG 340 -14.632   2.292  -7.276
  522   2HG   ARG 340          2HG       ARG 340 -14.138   3.466  -6.054
  523   1HD   ARG 340          1HD       ARG 340 -12.052   3.850  -7.282
  524   2HD   ARG 340          2HD       ARG 340 -12.563   2.687  -8.506
  525    HE   ARG 340           HE       ARG 340 -14.530   4.681  -8.220
  526   1HH1  ARG 340          1HH1      ARG 340 -11.306   4.224  -9.456
  527   2HH1  ARG 340          2HH1      ARG 340 -11.448   5.471 -10.649
  528   1HH2  ARG 340          1HH2      ARG 340 -14.728   6.321  -9.789
  529   2HH2  ARG 340          2HH2      ARG 340 -13.395   6.661 -10.842
  530    H    ASN 341           H        ASN 341 -13.987  -1.299  -5.967
  531    HA   ASN 341           HA       ASN 341 -16.425  -1.086  -7.344
  532   1HB   ASN 341          1HB       ASN 341 -14.871  -3.504  -6.414
  533   2HB   ASN 341          2HB       ASN 341 -16.304  -3.610  -7.431
  534   1HD2  ASN 341          1HD2      ASN 341 -15.665  -1.156  -8.873
  535   2HD2  ASN 341          2HD2      ASN 341 -14.371  -1.556  -9.945
  536    H    ALA 342           H        ALA 342 -15.634  -2.286  -4.127
  537    HA   ALA 342           HA       ALA 342 -18.203  -3.317  -3.522
  538   1HB   ALA 342          1HB       ALA 342 -16.178  -3.967  -2.294
  539   2HB   ALA 342          2HB       ALA 342 -17.438  -3.368  -1.214
  540   3HB   ALA 342          3HB       ALA 342 -16.069  -2.337  -1.627
  541    H    LYS 343           H        LYS 343 -16.673  -0.176  -3.087
  542    HA   LYS 343           HA       LYS 343 -18.672   1.008  -1.495
  543   1HB   LYS 343          1HB       LYS 343 -16.372   1.911  -1.836
  544   2HB   LYS 343          2HB       LYS 343 -16.830   2.370  -3.468
  545   1HG   LYS 343          1HG       LYS 343 -18.472   3.364  -1.198
  546   2HG   LYS 343          2HG       LYS 343 -16.894   4.093  -1.491
  547   1HD   LYS 343          1HD       LYS 343 -17.575   4.535  -3.829
  548   2HD   LYS 343          2HD       LYS 343 -19.174   3.886  -3.458
  549   1HE   LYS 343          1HE       LYS 343 -17.884   6.275  -2.146
  550   2HE   LYS 343          2HE       LYS 343 -19.156   6.328  -3.367
  551   1HZ   LYS 343          1HZ       LYS 343 -19.405   5.100  -0.673
  552   2HZ   LYS 343          2HZ       LYS 343 -20.627   5.179  -1.840
  553   3HZ   LYS 343          3HZ       LYS 343 -20.042   6.600  -1.134
  554    H    GLU 344           H        GLU 344 -18.211   0.851  -4.997
  555    HA   GLU 344           HA       GLU 344 -20.510   2.454  -5.589
  556   1HB   GLU 344          1HB       GLU 344 -18.560   2.284  -7.105
  557   2HB   GLU 344          2HB       GLU 344 -18.947   0.593  -7.388
  558   1HG   GLU 344          1HG       GLU 344 -21.110   1.273  -8.343
  559   2HG   GLU 344          2HG       GLU 344 -20.657   2.961  -8.114
  560    H    ALA 345           H        ALA 345 -19.910  -0.911  -5.019
  561    HA   ALA 345           HA       ALA 345 -22.176  -1.989  -6.317
  562   1HB   ALA 345          1HB       ALA 345 -20.284  -3.370  -5.648
  563   2HB   ALA 345          2HB       ALA 345 -21.783  -3.974  -4.941
  564   3HB   ALA 345          3HB       ALA 345 -20.645  -3.061  -3.950
  565    H    GLY 346           H        GLY 346 -21.638  -0.837  -3.010
  566   1HA   GLY 346          1HA       GLY 346 -23.786   0.346  -2.225
  567   2HA   GLY 346          2HA       GLY 346 -24.499  -1.244  -2.444
  568    H    GLY 347           H        GLY 347 -24.674  -2.405  -0.650
  569   1HA   GLY 347          1HA       GLY 347 -23.103  -1.648   1.688
  570   2HA   GLY 347          2HA       GLY 347 -24.490  -2.728   1.670
  571    H    ASN 348           H        ASN 348 -24.171  -4.890   1.555
  572    HA   ASN 348           HA       ASN 348 -21.609  -5.925   2.131
  573   1HB   ASN 348          1HB       ASN 348 -22.668  -8.136   1.923
  574   2HB   ASN 348          2HB       ASN 348 -23.655  -7.037   2.881
  575   1HD2  ASN 348          1HD2      ASN 348 -25.582  -6.247   2.023
  576   2HD2  ASN 348          2HD2      ASN 348 -26.351  -6.994   0.669
  577    H    TYR 349           H        TYR 349 -20.211  -7.191   0.898
  578    HA   TYR 349           HA       TYR 349 -20.721  -7.646  -1.904
  579   1HB   TYR 349          1HB       TYR 349 -19.953  -5.278  -1.855
  580   2HB   TYR 349          2HB       TYR 349 -18.451  -5.810  -1.106
  581    HD1  TYR 349           HD1      TYR 349 -16.703  -6.785  -2.406
  582    HD2  TYR 349           HD2      TYR 349 -20.465  -5.925  -4.197
  583    HE1  TYR 349           HE1      TYR 349 -15.726  -7.168  -4.629
  584    HE2  TYR 349           HE2      TYR 349 -19.499  -6.307  -6.425
  585    HH   TYR 349           HH       TYR 349 -17.292  -6.281  -7.506
  586    H    THR 350           H        THR 350 -18.640  -7.820   0.887
  587    HA   THR 350           HA       THR 350 -16.783  -9.097   1.358
  588    HB   THR 350           HB       THR 350 -18.497 -10.526   2.154
  589    HG1  THR 350           HG1      THR 350 -17.553 -12.615   1.677
  590   1HG2  THR 350          1HG2      THR 350 -18.835 -11.519  -0.678
  591   2HG2  THR 350          2HG2      THR 350 -19.972 -10.506   0.211
  592   3HG2  THR 350          3HG2      THR 350 -19.663 -12.160   0.742
  593    HA   PRO 351           HA       PRO 351 -15.127  -9.631  -2.910
  594   1HB   PRO 351          1HB       PRO 351 -12.913  -8.135  -2.569
  595   2HB   PRO 351          2HB       PRO 351 -14.482  -7.415  -2.950
  596   1HG   PRO 351          1HG       PRO 351 -13.086  -7.635  -0.314
  597   2HG   PRO 351          2HG       PRO 351 -13.985  -6.267  -0.994
  598   1HD   PRO 351          1HD       PRO 351 -15.025  -8.007   0.843
  599   2HD   PRO 351          2HD       PRO 351 -16.011  -7.114  -0.329
  600    H    ALA 352           H        ALA 352 -13.062 -10.585  -3.598
  601    HA   ALA 352           HA       ALA 352 -12.323 -12.777  -2.000
  602   1HB   ALA 352          1HB       ALA 352 -10.639 -13.231  -3.692
  603   2HB   ALA 352          2HB       ALA 352 -10.844 -11.609  -4.355
  604   3HB   ALA 352          3HB       ALA 352 -12.165 -12.774  -4.448
  605    H    LEU 353           H        LEU 353 -10.315  -9.990  -2.975
  606    HA   LEU 353           HA       LEU 353  -8.295 -10.596  -1.043
  607   1HB   LEU 353          1HB       LEU 353  -7.783  -9.500  -3.179
  608   2HB   LEU 353          2HB       LEU 353  -8.735  -8.109  -2.696
  609    HG   LEU 353           HG       LEU 353  -7.145  -7.717  -0.825
  610   1HD1  LEU 353          1HD1      LEU 353  -6.313  -9.986  -0.556
  611   2HD1  LEU 353          2HD1      LEU 353  -4.983  -8.868  -0.863
  612   3HD1  LEU 353          3HD1      LEU 353  -5.569  -9.917  -2.153
  613   1HD2  LEU 353          1HD2      LEU 353  -5.349  -6.835  -2.218
  614   2HD2  LEU 353          2HD2      LEU 353  -6.925  -6.525  -2.946
  615   3HD2  LEU 353          3HD2      LEU 353  -5.904  -7.820  -3.571
  616    H    THR 354           H        THR 354  -8.138  -9.958   1.006
  617    HA   THR 354           HA       THR 354  -9.817  -7.716   1.923
  618    HB   THR 354           HB       THR 354 -10.114  -8.915   4.088
  619    HG1  THR 354           HG1      THR 354  -8.558 -10.785   2.743
  620   1HG2  THR 354          1HG2      THR 354 -11.814 -10.505   3.276
  621   2HG2  THR 354          2HG2      THR 354 -11.167 -10.342   1.644
  622   3HG2  THR 354          3HG2      THR 354 -11.903  -8.953   2.443
  623    H    GLU 355           H        GLU 355  -9.058  -7.252   4.370
  624    HA   GLU 355           HA       GLU 355  -6.515  -6.098   4.179
  625   1HB   GLU 355          1HB       GLU 355  -8.175  -6.749   6.620
  626   2HB   GLU 355          2HB       GLU 355  -6.720  -5.762   6.652
  627   1HG   GLU 355          1HG       GLU 355  -8.569  -4.287   6.634
  628   2HG   GLU 355          2HG       GLU 355  -7.837  -4.218   5.032
  629    H    GLN 356           H        GLN 356  -7.573  -8.986   5.963
  630    HA   GLN 356           HA       GLN 356  -5.071  -9.709   6.985
  631   1HB   GLN 356          1HB       GLN 356  -7.128 -10.681   7.836
  632   2HB   GLN 356          2HB       GLN 356  -7.451 -11.436   6.281
  633   1HG   GLN 356          1HG       GLN 356  -6.619 -13.078   7.821
  634   2HG   GLN 356          2HG       GLN 356  -5.429 -12.807   6.550
  635   1HE2  GLN 356          1HE2      GLN 356  -6.188 -12.377   9.910
  636   2HE2  GLN 356          2HE2      GLN 356  -4.598 -11.945  10.426
  637    H    GLU 357           H        GLU 357  -6.708 -10.689   3.989
  638    HA   GLU 357           HA       GLU 357  -4.820 -12.528   3.086
  639   1HB   GLU 357          1HB       GLU 357  -7.094 -12.130   2.099
  640   2HB   GLU 357          2HB       GLU 357  -6.452 -10.681   1.339
  641   1HG   GLU 357          1HG       GLU 357  -4.949 -11.953   0.002
  642   2HG   GLU 357          2HG       GLU 357  -5.325 -13.430   0.888
  643    H    VAL 358           H        VAL 358  -4.913  -9.012   2.785
  644    HA   VAL 358           HA       VAL 358  -2.743  -8.763   0.997
  645    HB   VAL 358           HB       VAL 358  -3.942  -6.843   2.989
  646   1HG1  VAL 358          1HG1      VAL 358  -1.609  -6.236   2.868
  647   2HG1  VAL 358          2HG1      VAL 358  -2.548  -5.079   1.925
  648   3HG1  VAL 358          3HG1      VAL 358  -1.632  -6.345   1.108
  649   1HG2  VAL 358          1HG2      VAL 358  -5.236  -7.387   0.977
  650   2HG2  VAL 358          2HG2      VAL 358  -3.877  -6.876  -0.024
  651   3HG2  VAL 358          3HG2      VAL 358  -4.718  -5.702   0.989
  652    H    TYR 359           H        TYR 359  -2.838  -8.275   4.539
  653    HA   TYR 359           HA       TYR 359  -0.151  -7.904   4.992
  654   1HB   TYR 359          1HB       TYR 359  -1.835  -7.680   6.752
  655   2HB   TYR 359          2HB       TYR 359  -2.116  -9.417   6.729
  656    HD1  TYR 359           HD1      TYR 359   0.641  -6.951   7.258
  657    HD2  TYR 359           HD2      TYR 359  -0.996 -10.748   8.258
  658    HE1  TYR 359           HE1      TYR 359   2.383  -7.244   8.969
  659    HE2  TYR 359           HE2      TYR 359   0.740 -11.051   9.971
  660    HH   TYR 359           HH       TYR 359   2.992 -10.226  10.476
  661    H    ALA 360           H        ALA 360  -1.880 -10.912   4.436
  662    HA   ALA 360           HA       ALA 360   0.217 -12.677   5.123
  663   1HB   ALA 360          1HB       ALA 360  -2.087 -13.095   3.223
  664   2HB   ALA 360          2HB       ALA 360  -2.099 -13.409   4.959
  665   3HB   ALA 360          3HB       ALA 360  -1.063 -14.362   3.897
  666    H    GLN 361           H        GLN 361  -0.884 -11.494   1.940
  667    HA   GLN 361           HA       GLN 361   1.101 -12.755   0.417
  668   1HB   GLN 361          1HB       GLN 361  -0.404 -10.190  -0.129
  669   2HB   GLN 361          2HB       GLN 361   0.563 -11.051  -1.318
  670   1HG   GLN 361          1HG       GLN 361  -0.908 -12.984  -1.128
  671   2HG   GLN 361          2HG       GLN 361  -1.871 -12.139   0.081
  672   1HE2  GLN 361          1HE2      GLN 361  -3.737 -12.242  -1.155
  673   2HE2  GLN 361          2HE2      GLN 361  -3.962 -11.285  -2.575
  674    H    VAL 362           H        VAL 362   0.970  -9.414   1.647
  675    HA   VAL 362           HA       VAL 362   3.459  -8.579   0.708
  676    HB   VAL 362           HB       VAL 362   2.238  -7.663   3.315
  677   1HG1  VAL 362          1HG1      VAL 362   4.506  -6.874   2.859
  678   2HG1  VAL 362          2HG1      VAL 362   3.340  -5.552   2.789
  679   3HG1  VAL 362          3HG1      VAL 362   3.976  -6.248   1.297
  680   1HG2  VAL 362          1HG2      VAL 362   0.514  -7.586   1.588
  681   2HG2  VAL 362          2HG2      VAL 362   1.602  -6.696   0.528
  682   3HG2  VAL 362          3HG2      VAL 362   1.036  -5.964   2.028
  683    H    ALA 363           H        ALA 363   2.545 -10.435   3.531
  684    HA   ALA 363           HA       ALA 363   5.058 -10.317   4.854
  685   1HB   ALA 363          1HB       ALA 363   4.209 -12.155   6.219
  686   2HB   ALA 363          2HB       ALA 363   2.866 -12.374   5.098
  687   3HB   ALA 363          3HB       ALA 363   2.996 -10.888   6.037
  688    H    ARG 364           H        ARG 364   3.630 -12.464   2.469
  689    HA   ARG 364           HA       ARG 364   5.588 -14.493   2.568
  690   1HB   ARG 364          1HB       ARG 364   3.393 -14.790   1.492
  691   2HB   ARG 364          2HB       ARG 364   3.842 -13.628   0.253
  692   1HG   ARG 364          1HG       ARG 364   4.084 -15.823  -0.646
  693   2HG   ARG 364          2HG       ARG 364   5.694 -15.140  -0.416
  694   1HD   ARG 364          1HD       ARG 364   5.981 -16.408   1.622
  695   2HD   ARG 364          2HD       ARG 364   4.330 -17.019   1.510
  696    HE   ARG 364           HE       ARG 364   5.884 -17.649  -0.804
  697   1HH1  ARG 364          1HH1      ARG 364   5.207 -18.617   2.476
  698   2HH1  ARG 364          2HH1      ARG 364   5.642 -20.272   2.213
  699   1HH2  ARG 364          1HH2      ARG 364   6.464 -19.823  -1.156
  700   2HH2  ARG 364          2HH2      ARG 364   6.353 -20.959   0.148
  701    H    LEU 365           H        LEU 365   5.313 -11.498   0.723
  702    HA   LEU 365           HA       LEU 365   7.605 -11.937  -0.897
  703   1HB   LEU 365          1HB       LEU 365   6.214  -9.373  -0.117
  704   2HB   LEU 365          2HB       LEU 365   7.464  -9.493  -1.340
  705    HG   LEU 365           HG       LEU 365   4.810 -10.925  -1.485
  706   1HD1  LEU 365          1HD1      LEU 365   4.232  -9.256  -3.191
  707   2HD1  LEU 365          2HD1      LEU 365   5.721  -8.384  -2.827
  708   3HD1  LEU 365          3HD1      LEU 365   4.462  -8.530  -1.600
  709   1HD2  LEU 365          1HD2      LEU 365   5.428 -11.308  -3.814
  710   2HD2  LEU 365          2HD2      LEU 365   6.612 -12.021  -2.719
  711   3HD2  LEU 365          3HD2      LEU 365   6.975 -10.505  -3.544
  712    H    PHE 366           H        PHE 366   7.076 -10.224   2.159
  713    HA   PHE 366           HA       PHE 366   9.980  -9.838   2.405
  714   1HB   PHE 366          1HB       PHE 366   7.805  -8.589   4.096
  715   2HB   PHE 366          2HB       PHE 366   9.510  -8.152   4.066
  716    HD1  PHE 366           HD1      PHE 366  10.191  -7.864   1.315
  717    HD2  PHE 366           HD2      PHE 366   6.543  -6.868   3.272
  718    HE1  PHE 366           HE1      PHE 366   9.726  -6.177  -0.415
  719    HE2  PHE 366           HE2      PHE 366   6.072  -5.184   1.542
  720    HZ   PHE 366           HZ       PHE 366   7.664  -4.837  -0.305
  721    H    LYS 367           H        LYS 367  10.661 -11.816   3.136
  722    HA   LYS 367           HA       LYS 367   9.351 -13.042   5.409
  723   1HB   LYS 367          1HB       LYS 367  11.522 -13.861   3.525
  724   2HB   LYS 367          2HB       LYS 367  11.227 -14.758   4.998
  725   1HG   LYS 367          1HG       LYS 367   9.124 -14.234   2.916
  726   2HG   LYS 367          2HG       LYS 367  10.133 -15.682   2.951
  727   1HD   LYS 367          1HD       LYS 367   8.533 -14.864   5.352
  728   2HD   LYS 367          2HD       LYS 367   7.784 -15.762   4.032
  729   1HE   LYS 367          1HE       LYS 367   8.501 -17.324   5.703
  730   2HE   LYS 367          2HE       LYS 367   9.541 -17.500   4.291
  731   1HZ   LYS 367          1HZ       LYS 367  10.239 -15.950   6.728
  732   2HZ   LYS 367          2HZ       LYS 367  11.244 -16.234   5.398
  733   3HZ   LYS 367          3HZ       LYS 367  10.776 -17.519   6.392
  734    H    ASN 368           H        ASN 368  11.743 -10.757   4.933
  735    HA   ASN 368           HA       ASN 368  12.885 -11.331   7.586
  736   1HB   ASN 368          1HB       ASN 368  14.392 -10.281   5.183
  737   2HB   ASN 368          2HB       ASN 368  15.060 -10.495   6.798
  738   1HD2  ASN 368          1HD2      ASN 368  15.849 -11.691   4.256
  739   2HD2  ASN 368          2HD2      ASN 368  15.763 -13.400   4.487
  740    H    GLN 369           H        GLN 369  11.944  -8.922   5.209
  741    HA   GLN 369           HA       GLN 369  12.670  -6.685   6.844
  742   1HB   GLN 369          1HB       GLN 369  10.866  -6.833   4.421
  743   2HB   GLN 369          2HB       GLN 369  11.442  -5.349   5.168
  744   1HG   GLN 369          1HG       GLN 369  13.163  -7.460   3.886
  745   2HG   GLN 369          2HG       GLN 369  12.726  -5.905   3.180
  746   1HE2  GLN 369          1HE2      GLN 369  14.625  -7.527   5.598
  747   2HE2  GLN 369          2HE2      GLN 369  15.665  -6.197   5.965
  748    H    GLU 370           H        GLU 370  11.615  -7.290   8.823
  749    HA   GLU 370           HA       GLU 370   8.750  -7.429   8.948
  750   1HB   GLU 370          1HB       GLU 370  10.168  -8.644  10.548
  751   2HB   GLU 370          2HB       GLU 370  10.791  -7.118  11.159
  752   1HG   GLU 370          1HG       GLU 370   9.113  -8.021  12.649
  753   2HG   GLU 370          2HG       GLU 370   8.556  -6.510  11.931
  754    H    ASP 371           H        ASP 371  11.187  -4.956   9.379
  755    HA   ASP 371           HA       ASP 371   9.722  -3.026  10.754
  756   1HB   ASP 371          1HB       ASP 371  11.829  -2.604   8.623
  757   2HB   ASP 371          2HB       ASP 371  11.289  -1.393   9.783
  758    H    LEU 372           H        LEU 372  10.034  -3.520   7.247
  759    HA   LEU 372           HA       LEU 372   8.455  -1.384   6.406
  760   1HB   LEU 372          1HB       LEU 372   9.170  -4.031   5.214
  761   2HB   LEU 372          2HB       LEU 372   7.973  -3.030   4.417
  762    HG   LEU 372           HG       LEU 372   9.607  -1.227   4.174
  763   1HD1  LEU 372          1HD1      LEU 372  10.930  -1.624   6.175
  764   2HD1  LEU 372          2HD1      LEU 372  11.958  -1.590   4.744
  765   3HD1  LEU 372          3HD1      LEU 372  11.538  -3.131   5.491
  766   1HD2  LEU 372          1HD2      LEU 372  10.615  -3.901   3.212
  767   2HD2  LEU 372          2HD2      LEU 372  11.105  -2.331   2.575
  768   3HD2  LEU 372          3HD2      LEU 372   9.436  -2.872   2.398
  769    H    LEU 373           H        LEU 373   7.482  -4.773   6.938
  770    HA   LEU 373           HA       LEU 373   4.761  -4.436   6.393
  771   1HB   LEU 373          1HB       LEU 373   6.345  -6.417   7.973
  772   2HB   LEU 373          2HB       LEU 373   4.595  -6.450   8.075
  773    HG   LEU 373           HG       LEU 373   6.029  -6.560   5.432
  774   1HD1  LEU 373          1HD1      LEU 373   6.726  -8.410   7.021
  775   2HD1  LEU 373          2HD1      LEU 373   6.020  -8.910   5.484
  776   3HD1  LEU 373          3HD1      LEU 373   5.049  -8.956   6.956
  777   1HD2  LEU 373          1HD2      LEU 373   3.914  -7.626   4.734
  778   2HD2  LEU 373          2HD2      LEU 373   3.689  -5.979   5.322
  779   3HD2  LEU 373          3HD2      LEU 373   3.268  -7.349   6.352
  780    H    SER 374           H        SER 374   6.627  -3.818   9.294
  781    HA   SER 374           HA       SER 374   4.483  -3.573  11.109
  782   1HB   SER 374          1HB       SER 374   7.210  -2.258  11.140
  783   2HB   SER 374          2HB       SER 374   6.088  -2.279  12.500
  784    HG   SER 374           HG       SER 374   6.198  -4.620  12.343
  785    H    GLU 375           H        GLU 375   6.289  -1.087   9.306
  786    HA   GLU 375           HA       GLU 375   4.777   1.110  10.132
  787   1HB   GLU 375          1HB       GLU 375   6.975   1.139   8.859
  788   2HB   GLU 375          2HB       GLU 375   6.041   0.814   7.405
  789   1HG   GLU 375          1HG       GLU 375   4.856   2.885   7.628
  790   2HG   GLU 375          2HG       GLU 375   5.604   3.192   9.195
  791    H    PHE 376           H        PHE 376   4.284  -1.216   7.549
  792    HA   PHE 376           HA       PHE 376   2.084   0.127   6.340
  793   1HB   PHE 376          1HB       PHE 376   3.465  -1.556   5.157
  794   2HB   PHE 376          2HB       PHE 376   2.830  -2.804   6.225
  795    HD1  PHE 376           HD1      PHE 376   0.846  -3.910   5.707
  796    HD2  PHE 376           HD2      PHE 376   1.821  -0.289   3.698
  797    HE1  PHE 376           HE1      PHE 376  -1.039  -4.262   4.166
  798    HE2  PHE 376           HE2      PHE 376  -0.063  -0.633   2.153
  799    HZ   PHE 376           HZ       PHE 376  -1.497  -2.622   2.387
  800    H    GLY 377           H        GLY 377   2.460  -2.051   9.018
  801   1HA   GLY 377          1HA       GLY 377  -0.302  -2.813   9.191
  802   2HA   GLY 377          2HA       GLY 377   0.931  -3.072  10.419
  803    H    GLN 378           H        GLN 378   1.687  -0.273  10.572
  804    HA   GLN 378           HA       GLN 378   0.028   0.584  12.631
  805   1HB   GLN 378          1HB       GLN 378   1.808   2.241  10.833
  806   2HB   GLN 378          2HB       GLN 378   1.122   2.794  12.354
  807   1HG   GLN 378          1HG       GLN 378   2.354   1.049  13.543
  808   2HG   GLN 378          2HG       GLN 378   3.050   0.507  12.017
  809   1HE2  GLN 378          1HE2      GLN 378   2.493   3.864  12.781
  810   2HE2  GLN 378          2HE2      GLN 378   4.156   4.313  12.920
  811    H    PHE 379           H        PHE 379   0.002   1.474   9.199
  812    HA   PHE 379           HA       PHE 379  -2.019   3.413   9.326
  813   1HB   PHE 379          1HB       PHE 379  -1.357   1.544   7.039
  814   2HB   PHE 379          2HB       PHE 379  -2.299   3.026   6.915
  815    HD1  PHE 379           HD1      PHE 379  -1.012   5.146   7.966
  816    HD2  PHE 379           HD2      PHE 379   0.820   1.652   6.372
  817    HE1  PHE 379           HE1      PHE 379   1.052   6.421   7.553
  818    HE2  PHE 379           HE2      PHE 379   2.888   2.919   5.959
  819    HZ   PHE 379           HZ       PHE 379   3.005   5.307   6.549
  820    H    LEU 380           H        LEU 380  -2.145  -0.079   9.186
  821    HA   LEU 380           HA       LEU 380  -4.984  -0.175   8.705
  822   1HB   LEU 380          1HB       LEU 380  -3.077  -2.360   9.545
  823   2HB   LEU 380          2HB       LEU 380  -4.729  -2.598   9.009
  824    HG   LEU 380           HG       LEU 380  -2.524  -1.450   7.297
  825   1HD1  LEU 380          1HD1      LEU 380  -2.079  -3.778   7.813
  826   2HD1  LEU 380          2HD1      LEU 380  -2.586  -3.606   6.133
  827   3HD1  LEU 380          3HD1      LEU 380  -3.721  -4.217   7.338
  828   1HD2  LEU 380          1HD2      LEU 380  -4.099  -1.791   5.461
  829   2HD2  LEU 380          2HD2      LEU 380  -4.753  -0.680   6.665
  830   3HD2  LEU 380          3HD2      LEU 380  -5.319  -2.350   6.606
  831    HA   PRO 381           HA       PRO 381  -6.480   0.034  12.847
  832   1HB   PRO 381          1HB       PRO 381  -8.426  -1.885  12.862
  833   2HB   PRO 381          2HB       PRO 381  -8.616  -0.305  12.096
  834   1HG   PRO 381          1HG       PRO 381  -7.901  -2.936  10.857
  835   2HG   PRO 381          2HG       PRO 381  -9.030  -1.697  10.278
  836   1HD   PRO 381          1HD       PRO 381  -6.558  -1.934   9.257
  837   2HD   PRO 381          2HD       PRO 381  -7.330  -0.348   9.465
  838    H    ASP 382           H        ASP 382  -5.139  -0.612  14.415
  839    HA   ASP 382           HA       ASP 382  -4.047  -1.912  15.924
  840   1HB   ASP 382          1HB       ASP 382  -6.254  -3.860  15.231
  841   2HB   ASP 382          2HB       ASP 382  -5.166  -4.021  16.607
  842    H    ALA 383           H        ALA 383  -3.585  -2.209  12.903
  843    HA   ALA 383           HA       ALA 383  -2.203  -3.361  11.513
  844   1HB   ALA 383          1HB       ALA 383  -0.567  -2.882  13.255
  845   2HB   ALA 383          2HB       ALA 383  -0.261  -4.457  12.521
  846   3HB   ALA 383          3HB       ALA 383  -1.028  -4.357  14.106
  Start of MODEL   20
    1   1H    ARG   6          1H        ARG   6  -9.403   8.320   2.794
    2   2H    ARG   6          2H        ARG   6 -10.080   6.951   2.065
    3   3H    ARG   6          3H        ARG   6  -8.725   7.693   1.376
    4    HA   ARG   6           HA       ARG   6  -8.763   6.423   4.048
    5   1HB   ARG   6          1HB       ARG   6  -7.661   5.373   1.432
    6   2HB   ARG   6          2HB       ARG   6  -7.471   4.604   3.002
    7   1HG   ARG   6          1HG       ARG   6  -9.898   4.310   3.147
    8   2HG   ARG   6          2HG       ARG   6 -10.074   5.060   1.559
    9   1HD   ARG   6          1HD       ARG   6  -8.531   2.537   2.147
   10   2HD   ARG   6          2HD       ARG   6 -10.144   2.608   1.441
   11    HE   ARG   6           HE       ARG   6  -8.500   4.156  -0.165
   12   1HH1  ARG   6          1HH1      ARG   6  -8.743   0.824   0.825
   13   2HH1  ARG   6          2HH1      ARG   6  -8.057   0.206  -0.640
   14   1HH2  ARG   6          1HH2      ARG   6  -7.595   3.350  -2.097
   15   2HH2  ARG   6          2HH2      ARG   6  -7.399   1.641  -2.298
   16    H    MET   7           H        MET   7  -6.512   5.931   4.752
   17    HA   MET   7           HA       MET   7  -4.532   7.835   3.720
   18   1HB   MET   7          1HB       MET   7  -3.954   8.586   5.941
   19   2HB   MET   7          2HB       MET   7  -5.674   8.845   5.686
   20   1HG   MET   7          1HG       MET   7  -6.171   6.825   6.961
   21   2HG   MET   7          2HG       MET   7  -4.446   6.561   7.214
   22   1HE   MET   7          1HE       MET   7  -4.483   6.487   9.802
   23   2HE   MET   7          2HE       MET   7  -6.242   6.495   9.677
   24   3HE   MET   7          3HE       MET   7  -5.433   7.591  10.798
   25    H    ASN   8           H        ASN   8  -5.128   4.790   3.936
   26    HA   ASN   8           HA       ASN   8  -2.510   4.012   5.038
   27   1HB   ASN   8          1HB       ASN   8  -3.802   1.658   4.908
   28   2HB   ASN   8          2HB       ASN   8  -3.875   2.717   6.313
   29   1HD2  ASN   8          1HD2      ASN   8  -5.535   1.772   3.372
   30   2HD2  ASN   8          2HD2      ASN   8  -7.115   2.236   3.891
   31    H    ILE   9           H        ILE   9  -4.850   2.787   2.633
   32    HA   ILE   9           HA       ILE   9  -2.659   1.731   1.042
   33    HB   ILE   9           HB       ILE   9  -5.632   1.583   0.527
   34   1HG1  ILE   9          1HG1      ILE   9  -5.014   0.467   2.626
   35   2HG1  ILE   9          2HG1      ILE   9  -5.484  -0.707   1.402
   36   1HG2  ILE   9          1HG2      ILE   9  -3.333   0.066  -0.696
   37   2HG2  ILE   9          2HG2      ILE   9  -4.325   1.286  -1.495
   38   3HG2  ILE   9          3HG2      ILE   9  -5.042  -0.247  -0.998
   39   1HD1  ILE   9          1HD1      ILE   9  -3.123  -1.186   0.972
   40   2HD1  ILE   9          2HD1      ILE   9  -3.564  -1.479   2.654
   41   3HD1  ILE   9          3HD1      ILE   9  -2.668  -0.024   2.218
   42    H    GLN  10           H        GLN  10  -5.546   3.710   0.315
   43    HA   GLN  10           HA       GLN  10  -4.754   4.582  -2.195
   44   1HB   GLN  10          1HB       GLN  10  -7.022   4.878  -1.255
   45   2HB   GLN  10          2HB       GLN  10  -6.399   6.115  -0.173
   46   1HG   GLN  10          1HG       GLN  10  -5.829   7.520  -2.059
   47   2HG   GLN  10          2HG       GLN  10  -6.363   6.267  -3.178
   48   1HE2  GLN  10          1HE2      GLN  10  -7.295   9.011  -2.872
   49   2HE2  GLN  10          2HE2      GLN  10  -8.989   8.908  -2.544
   50    H    MET  11           H        MET  11  -3.773   5.681   0.958
   51    HA   MET  11           HA       MET  11  -2.706   8.184   0.272
   52   1HB   MET  11          1HB       MET  11  -3.098   7.388   2.591
   53   2HB   MET  11          2HB       MET  11  -1.746   6.280   2.415
   54   1HG   MET  11          1HG       MET  11  -1.045   8.224   3.636
   55   2HG   MET  11          2HG       MET  11  -0.247   8.195   2.064
   56   1HE   MET  11          1HE       MET  11  -0.689  12.028   2.675
   57   2HE   MET  11          2HE       MET  11   0.443  10.733   2.286
   58   3HE   MET  11          3HE       MET  11  -0.309  10.798   3.879
   59    H    LEU  12           H        LEU  12  -0.944   5.124   0.813
   60    HA   LEU  12           HA       LEU  12   1.504   6.023  -0.209
   61   1HB   LEU  12          1HB       LEU  12   0.512   3.176  -0.279
   62   2HB   LEU  12          2HB       LEU  12   2.178   3.720  -0.260
   63    HG   LEU  12           HG       LEU  12   0.229   4.072   2.018
   64   1HD1  LEU  12          1HD1      LEU  12   2.509   2.129   1.689
   65   2HD1  LEU  12          2HD1      LEU  12   0.794   1.725   1.665
   66   3HD1  LEU  12          3HD1      LEU  12   1.533   2.344   3.141
   67   1HD2  LEU  12          1HD2      LEU  12   3.197   4.581   1.840
   68   2HD2  LEU  12          2HD2      LEU  12   2.211   4.717   3.296
   69   3HD2  LEU  12          3HD2      LEU  12   1.936   5.811   1.940
   70    H    LEU  13           H        LEU  13  -1.347   4.760  -1.772
   71    HA   LEU  13           HA       LEU  13  -0.289   4.075  -4.263
   72   1HB   LEU  13          1HB       LEU  13  -2.922   4.693  -3.146
   73   2HB   LEU  13          2HB       LEU  13  -2.774   5.110  -4.842
   74    HG   LEU  13           HG       LEU  13  -3.709   2.853  -4.460
   75   1HD1  LEU  13          1HD1      LEU  13  -2.293   1.699  -6.083
   76   2HD1  LEU  13          2HD1      LEU  13  -1.029   2.905  -5.837
   77   3HD1  LEU  13          3HD1      LEU  13  -2.573   3.377  -6.548
   78   1HD2  LEU  13          1HD2      LEU  13  -2.224   1.055  -3.715
   79   2HD2  LEU  13          2HD2      LEU  13  -2.485   2.255  -2.451
   80   3HD2  LEU  13          3HD2      LEU  13  -0.972   2.244  -3.356
   81    H    GLU  14           H        GLU  14  -1.708   7.156  -3.176
   82    HA   GLU  14           HA       GLU  14  -1.218   8.571  -5.557
   83   1HB   GLU  14          1HB       GLU  14  -2.774   9.336  -3.786
   84   2HB   GLU  14          2HB       GLU  14  -1.399   9.663  -2.740
   85   1HG   GLU  14          1HG       GLU  14  -0.580  11.321  -4.343
   86   2HG   GLU  14          2HG       GLU  14  -1.974  11.002  -5.373
   87    H    ALA  15           H        ALA  15   0.689   8.138  -2.612
   88    HA   ALA  15           HA       ALA  15   2.780   9.911  -3.294
   89   1HB   ALA  15          1HB       ALA  15   4.049   8.826  -1.542
   90   2HB   ALA  15          2HB       ALA  15   2.927   7.467  -1.533
   91   3HB   ALA  15          3HB       ALA  15   2.385   9.062  -1.010
   92    H    ALA  16           H        ALA  16   2.063   6.636  -4.203
   93    HA   ALA  16           HA       ALA  16   4.676   5.972  -5.149
   94   1HB   ALA  16          1HB       ALA  16   3.072   4.255  -4.456
   95   2HB   ALA  16          2HB       ALA  16   3.611   4.009  -6.118
   96   3HB   ALA  16          3HB       ALA  16   2.020   4.700  -5.800
   97    H    ASP  17           H        ASP  17   1.634   6.846  -6.791
   98    HA   ASP  17           HA       ASP  17   2.742   6.877  -9.393
   99   1HB   ASP  17          1HB       ASP  17   0.322   6.681  -8.964
  100   2HB   ASP  17          2HB       ASP  17   0.303   8.329  -8.345
  101    H    TYR  18           H        TYR  18   2.591   9.226  -6.833
  102    HA   TYR  18           HA       TYR  18   3.215  11.510  -8.427
  103   1HB   TYR  18          1HB       TYR  18   2.130  11.857  -6.311
  104   2HB   TYR  18          2HB       TYR  18   3.396  10.984  -5.456
  105    HD1  TYR  18           HD1      TYR  18   2.419  14.154  -6.962
  106    HD2  TYR  18           HD2      TYR  18   5.597  12.032  -5.078
  107    HE1  TYR  18           HE1      TYR  18   3.599  16.276  -6.573
  108    HE2  TYR  18           HE2      TYR  18   6.781  14.151  -4.684
  109    HH   TYR  18           HH       TYR  18   6.852  16.423  -5.607
  110    H    LEU  19           H        LEU  19   5.119   9.422  -6.274
  111    HA   LEU  19           HA       LEU  19   7.571  10.750  -6.778
  112   1HB   LEU  19          1HB       LEU  19   7.371   9.633  -4.721
  113   2HB   LEU  19          2HB       LEU  19   6.778   8.165  -5.476
  114    HG   LEU  19           HG       LEU  19   9.011   7.823  -6.465
  115   1HD1  LEU  19          1HD1      LEU  19  10.898   9.115  -5.437
  116   2HD1  LEU  19          2HD1      LEU  19   9.691  10.231  -4.793
  117   3HD1  LEU  19          3HD1      LEU  19   9.875  10.040  -6.536
  118   1HD2  LEU  19          1HD2      LEU  19   8.381   6.685  -4.409
  119   2HD2  LEU  19          2HD2      LEU  19   8.931   8.066  -3.462
  120   3HD2  LEU  19          3HD2      LEU  19  10.092   7.107  -4.381
  121    H    GLU  20           H        GLU  20   5.771   8.283  -8.381
  122    HA   GLU  20           HA       GLU  20   7.897   7.023  -9.766
  123   1HB   GLU  20          1HB       GLU  20   5.662   6.009  -9.533
  124   2HB   GLU  20          2HB       GLU  20   4.986   7.274 -10.552
  125   1HG   GLU  20          1HG       GLU  20   6.398   6.505 -12.410
  126   2HG   GLU  20          2HG       GLU  20   7.013   5.210 -11.384
  127    H    ARG  21           H        ARG  21   5.841   9.795 -10.475
  128    HA   ARG  21           HA       ARG  21   7.080  10.189 -13.072
  129   1HB   ARG  21          1HB       ARG  21   4.681  10.596 -12.836
  130   2HB   ARG  21          2HB       ARG  21   4.990  11.801 -11.595
  131   1HG   ARG  21          1HG       ARG  21   4.523  12.976 -13.588
  132   2HG   ARG  21          2HG       ARG  21   6.262  13.108 -13.324
  133   1HD   ARG  21          1HD       ARG  21   5.014  11.035 -15.116
  134   2HD   ARG  21          2HD       ARG  21   5.540  12.615 -15.691
  135    HE   ARG  21           HE       ARG  21   7.674  11.435 -14.332
  136   1HH1  ARG  21          1HH1      ARG  21   5.788  10.936 -17.219
  137   2HH1  ARG  21          2HH1      ARG  21   7.079  10.172 -18.085
  138   1HH2  ARG  21          1HH2      ARG  21   9.379  10.431 -15.466
  139   2HH2  ARG  21          2HH2      ARG  21   9.119   9.887 -17.088
  140   1H    SER 295          1H        SER 295 -12.470  15.168  -3.264
  141   2H    SER 295          2H        SER 295 -13.268  16.433  -2.472
  142   3H    SER 295          3H        SER 295 -14.064  15.556  -3.681
  143    HA   SER 295           HA       SER 295 -14.799  14.937  -1.451
  144   1HB   SER 295          1HB       SER 295 -13.291  12.788  -2.966
  145   2HB   SER 295          2HB       SER 295 -14.552  12.497  -1.768
  146    HG   SER 295           HG       SER 295 -16.034  13.055  -3.175
  147    H    LEU 296           H        LEU 296 -11.627  13.400  -1.990
  148    HA   LEU 296           HA       LEU 296 -11.125  13.598   0.892
  149   1HB   LEU 296          1HB       LEU 296 -10.971  11.369  -0.123
  150   2HB   LEU 296          2HB       LEU 296  -9.739  11.952  -1.225
  151    HG   LEU 296           HG       LEU 296  -8.275  12.418   0.745
  152   1HD1  LEU 296          1HD1      LEU 296 -10.417  10.914   2.242
  153   2HD1  LEU 296          2HD1      LEU 296 -10.020  12.621   2.437
  154   3HD1  LEU 296          3HD1      LEU 296  -8.843  11.385   2.883
  155   1HD2  LEU 296          1HD2      LEU 296  -7.693  10.073   1.136
  156   2HD2  LEU 296          2HD2      LEU 296  -8.010  10.387  -0.570
  157   3HD2  LEU 296          3HD2      LEU 296  -9.225   9.574   0.418
  158    H    GLN 297           H        GLN 297 -10.177  15.495   1.363
  159    HA   GLN 297           HA       GLN 297  -8.141  16.582  -0.421
  160   1HB   GLN 297          1HB       GLN 297  -8.241  18.578   1.011
  161   2HB   GLN 297          2HB       GLN 297  -9.828  18.131   0.403
  162   1HG   GLN 297          1HG       GLN 297 -10.400  17.138   2.534
  163   2HG   GLN 297          2HG       GLN 297  -8.785  17.485   3.151
  164   1HE2  GLN 297          1HE2      GLN 297  -9.567  18.749   4.827
  165   2HE2  GLN 297          2HE2      GLN 297 -10.233  20.322   4.568
  166    H    ASN 298           H        ASN 298  -6.024  17.022   0.213
  167    HA   ASN 298           HA       ASN 298  -4.986  15.214   2.222
  168   1HB   ASN 298          1HB       ASN 298  -3.533  17.130   0.383
  169   2HB   ASN 298          2HB       ASN 298  -2.779  15.889   1.379
  170   1HD2  ASN 298          1HD2      ASN 298  -4.663  16.542  -1.453
  171   2HD2  ASN 298          2HD2      ASN 298  -4.532  14.969  -2.155
  172    H    ASN 299           H        ASN 299  -3.843  15.798   4.059
  173    HA   ASN 299           HA       ASN 299  -3.684  18.632   4.747
  174   1HB   ASN 299          1HB       ASN 299  -5.849  17.864   5.637
  175   2HB   ASN 299          2HB       ASN 299  -5.031  16.576   6.515
  176   1HD2  ASN 299          1HD2      ASN 299  -3.750  19.807   6.134
  177   2HD2  ASN 299          2HD2      ASN 299  -3.899  20.269   7.791
  178    H    GLN 300           H        GLN 300  -2.083  19.141   6.227
  179    HA   GLN 300           HA       GLN 300  -0.094  18.938   7.305
  180   1HB   GLN 300          1HB       GLN 300  -1.112  16.166   7.945
  181   2HB   GLN 300          2HB       GLN 300   0.230  16.972   8.741
  182   1HG   GLN 300          1HG       GLN 300  -1.192  18.593   9.701
  183   2HG   GLN 300          2HG       GLN 300  -2.561  18.070   8.720
  184   1HE2  GLN 300          1HE2      GLN 300  -3.651  16.187   9.263
  185   2HE2  GLN 300          2HE2      GLN 300  -3.465  15.423  10.801
  186    HA   PRO 301           HA       PRO 301   2.033  17.070   3.728
  187   1HB   PRO 301          1HB       PRO 301   4.224  18.782   4.730
  188   2HB   PRO 301          2HB       PRO 301   3.515  18.694   3.116
  189   1HG   PRO 301          1HG       PRO 301   3.047  20.780   4.719
  190   2HG   PRO 301          2HG       PRO 301   1.786  20.136   3.652
  191   1HD   PRO 301          1HD       PRO 301   2.161  19.742   6.596
  192   2HD   PRO 301          2HD       PRO 301   0.665  20.017   5.678
  193    H    VAL 302           H        VAL 302   2.460  16.801   7.024
  194    HA   VAL 302           HA       VAL 302   5.005  15.596   7.218
  195    HB   VAL 302           HB       VAL 302   2.610  15.085   8.988
  196   1HG1  VAL 302          1HG1      VAL 302   5.567  14.832   9.523
  197   2HG1  VAL 302          2HG1      VAL 302   4.432  13.499   9.313
  198   3HG1  VAL 302          3HG1      VAL 302   4.279  14.576  10.701
  199   1HG2  VAL 302          1HG2      VAL 302   3.476  16.894  10.397
  200   2HG2  VAL 302          2HG2      VAL 302   3.021  17.477   8.795
  201   3HG2  VAL 302          3HG2      VAL 302   4.722  17.229   9.194
  202    H    GLU 303           H        GLU 303   1.763  14.106   7.173
  203    HA   GLU 303           HA       GLU 303   2.669  11.449   7.018
  204   1HB   GLU 303          1HB       GLU 303   0.360  12.230   7.660
  205   2HB   GLU 303          2HB       GLU 303   0.049  12.483   5.948
  206   1HG   GLU 303          1HG       GLU 303  -0.830  10.353   6.717
  207   2HG   GLU 303          2HG       GLU 303   0.428  10.128   5.506
  208    H    PHE 304           H        PHE 304   2.030  13.863   4.563
  209    HA   PHE 304           HA       PHE 304   2.022  12.151   2.321
  210   1HB   PHE 304          1HB       PHE 304   1.188  14.492   2.308
  211   2HB   PHE 304          2HB       PHE 304   2.848  15.059   2.449
  212    HD1  PHE 304           HD1      PHE 304   3.838  15.776   0.519
  213    HD2  PHE 304           HD2      PHE 304   0.891  12.714   0.293
  214    HE1  PHE 304           HE1      PHE 304   4.056  15.752  -1.930
  215    HE2  PHE 304           HE2      PHE 304   1.105  12.684  -2.158
  216    HZ   PHE 304           HZ       PHE 304   2.688  14.206  -3.272
  217    H    ASN 305           H        ASN 305   4.621  14.130   3.745
  218    HA   ASN 305           HA       ASN 305   6.639  13.323   1.965
  219   1HB   ASN 305          1HB       ASN 305   6.868  14.273   4.828
  220   2HB   ASN 305          2HB       ASN 305   8.215  14.133   3.703
  221   1HD2  ASN 305          1HD2      ASN 305   7.173  16.472   5.082
  222   2HD2  ASN 305          2HD2      ASN 305   6.757  17.610   3.851
  223    H    HIS 306           H        HIS 306   5.465  11.942   4.982
  224    HA   HIS 306           HA       HIS 306   7.515  10.024   5.311
  225   1HB   HIS 306          1HB       HIS 306   5.963  10.683   7.120
  226   2HB   HIS 306          2HB       HIS 306   4.642   9.903   6.256
  227    HD1  HIS 306           HD1      HIS 306   4.315   7.450   6.653
  228    HD2  HIS 306           HD2      HIS 306   7.966   8.823   8.082
  229    HE1  HIS 306           HE1      HIS 306   5.295   5.528   7.947
  230    HE2  HIS 306           HE2      HIS 306   7.552   6.347   8.710
  231    H    ALA 307           H        ALA 307   4.465  10.015   3.566
  232    HA   ALA 307           HA       ALA 307   4.402   7.258   2.937
  233   1HB   ALA 307          1HB       ALA 307   3.187   9.565   1.417
  234   2HB   ALA 307          2HB       ALA 307   2.439   8.724   2.774
  235   3HB   ALA 307          3HB       ALA 307   2.744   7.864   1.264
  236    H    ILE 308           H        ILE 308   5.679  10.086   1.220
  237    HA   ILE 308           HA       ILE 308   6.487   8.707  -1.108
  238    HB   ILE 308           HB       ILE 308   7.611  11.255   0.062
  239   1HG1  ILE 308          1HG1      ILE 308   5.519  10.855  -2.088
  240   2HG1  ILE 308          2HG1      ILE 308   5.166  11.291  -0.419
  241   1HG2  ILE 308          1HG2      ILE 308   9.145  10.268  -1.540
  242   2HG2  ILE 308          2HG2      ILE 308   8.394  11.709  -2.225
  243   3HG2  ILE 308          3HG2      ILE 308   7.843  10.108  -2.718
  244   1HD1  ILE 308          1HD1      ILE 308   5.120  13.205  -1.965
  245   2HD1  ILE 308          2HD1      ILE 308   6.830  12.943  -2.302
  246   3HD1  ILE 308          3HD1      ILE 308   6.310  13.386  -0.676
  247    H    ASN 309           H        ASN 309   8.178   9.490   1.903
  248    HA   ASN 309           HA       ASN 309  10.710   8.520   1.083
  249   1HB   ASN 309          1HB       ASN 309   9.522   8.978   3.821
  250   2HB   ASN 309          2HB       ASN 309  11.193   8.486   3.561
  251   1HD2  ASN 309          1HD2      ASN 309  12.004  10.360   4.471
  252   2HD2  ASN 309          2HD2      ASN 309  11.922  11.890   3.671
  253    H    TYR 310           H        TYR 310   7.916   7.008   2.573
  254    HA   TYR 310           HA       TYR 310   9.186   4.586   3.317
  255   1HB   TYR 310          1HB       TYR 310   7.052   5.244   4.291
  256   2HB   TYR 310          2HB       TYR 310   6.280   5.177   2.710
  257    HD1  TYR 310           HD1      TYR 310   5.028   3.302   2.240
  258    HD2  TYR 310           HD2      TYR 310   8.287   2.952   4.954
  259    HE1  TYR 310           HE1      TYR 310   4.448   0.943   2.624
  260    HE2  TYR 310           HE2      TYR 310   7.716   0.593   5.344
  261    HH   TYR 310           HH       TYR 310   5.787  -0.886   5.165
  262    H    VAL 311           H        VAL 311   7.065   5.357   0.560
  263    HA   VAL 311           HA       VAL 311   7.344   2.918  -0.780
  264    HB   VAL 311           HB       VAL 311   6.860   5.653  -1.980
  265   1HG1  VAL 311          1HG1      VAL 311   6.273   2.906  -3.080
  266   2HG1  VAL 311          2HG1      VAL 311   7.514   4.017  -3.665
  267   3HG1  VAL 311          3HG1      VAL 311   5.808   4.436  -3.824
  268   1HG2  VAL 311          1HG2      VAL 311   4.883   3.563  -1.073
  269   2HG2  VAL 311          2HG2      VAL 311   4.497   5.120  -1.807
  270   3HG2  VAL 311          3HG2      VAL 311   5.254   5.058  -0.215
  271    H    ASN 312           H        ASN 312   9.273   5.864  -0.874
  272    HA   ASN 312           HA       ASN 312  10.955   5.139  -3.022
  273   1HB   ASN 312          1HB       ASN 312  10.712   7.452  -2.090
  274   2HB   ASN 312          2HB       ASN 312  11.624   6.935  -0.677
  275   1HD2  ASN 312          1HD2      ASN 312  12.240   9.009  -2.599
  276   2HD2  ASN 312          2HD2      ASN 312  13.773   8.602  -3.285
  277    H    LYS 313           H        LYS 313  11.102   4.583   0.452
  278    HA   LYS 313           HA       LYS 313  13.710   3.555   0.594
  279   1HB   LYS 313          1HB       LYS 313  12.492   4.200   2.594
  280   2HB   LYS 313          2HB       LYS 313  11.285   2.956   2.298
  281   1HG   LYS 313          1HG       LYS 313  13.001   1.233   2.613
  282   2HG   LYS 313          2HG       LYS 313  14.186   2.495   2.953
  283   1HD   LYS 313          1HD       LYS 313  12.941   3.197   4.901
  284   2HD   LYS 313          2HD       LYS 313  11.652   2.048   4.528
  285   1HE   LYS 313          1HE       LYS 313  13.123   1.212   6.297
  286   2HE   LYS 313          2HE       LYS 313  13.189   0.192   4.861
  287   1HZ   LYS 313          1HZ       LYS 313  15.186   2.264   5.597
  288   2HZ   LYS 313          2HZ       LYS 313  15.252   1.275   4.226
  289   3HZ   LYS 313          3HZ       LYS 313  15.392   0.594   5.768
  290    H    ILE 314           H        ILE 314  10.587   1.884   0.230
  291    HA   ILE 314           HA       ILE 314  11.613  -0.723   0.113
  292    HB   ILE 314           HB       ILE 314   9.116   0.335  -1.216
  293   1HG1  ILE 314          1HG1      ILE 314   9.501  -0.936   1.505
  294   2HG1  ILE 314          2HG1      ILE 314   9.204   0.775   1.216
  295   1HG2  ILE 314          1HG2      ILE 314   9.802  -1.835  -2.096
  296   2HG2  ILE 314          2HG2      ILE 314   8.336  -1.983  -1.127
  297   3HG2  ILE 314          3HG2      ILE 314   9.890  -2.480  -0.457
  298   1HD1  ILE 314          1HD1      ILE 314   7.020   0.228   0.266
  299   2HD1  ILE 314          2HD1      ILE 314   7.183  -0.352   1.923
  300   3HD1  ILE 314          3HD1      ILE 314   7.320  -1.481   0.577
  301    H    LYS 315           H        LYS 315  11.004   1.650  -2.449
  302    HA   LYS 315           HA       LYS 315  11.613  -0.072  -4.608
  303   1HB   LYS 315          1HB       LYS 315  10.356   2.040  -4.850
  304   2HB   LYS 315          2HB       LYS 315  11.821   2.940  -4.482
  305   1HG   LYS 315          1HG       LYS 315  12.874   2.179  -6.488
  306   2HG   LYS 315          2HG       LYS 315  11.547   1.064  -6.818
  307   1HD   LYS 315          1HD       LYS 315  10.021   2.981  -7.042
  308   2HD   LYS 315          2HD       LYS 315  11.377   4.075  -6.766
  309   1HE   LYS 315          1HE       LYS 315  10.872   3.850  -9.150
  310   2HE   LYS 315          2HE       LYS 315  12.481   3.238  -8.767
  311   1HZ   LYS 315          1HZ       LYS 315  11.291   1.763 -10.270
  312   2HZ   LYS 315          2HZ       LYS 315  10.049   1.572  -9.138
  313   3HZ   LYS 315          3HZ       LYS 315  11.601   0.994  -8.796
  314    H    ASN 316           H        ASN 316  13.584   2.060  -2.617
  315    HA   ASN 316           HA       ASN 316  15.952   1.653  -4.216
  316   1HB   ASN 316          1HB       ASN 316  15.498   3.000  -1.549
  317   2HB   ASN 316          2HB       ASN 316  17.073   2.897  -2.329
  318   1HD2  ASN 316          1HD2      ASN 316  17.242   5.120  -2.518
  319   2HD2  ASN 316          2HD2      ASN 316  16.310   6.024  -3.658
  320    H    ARG 317           H        ARG 317  14.371   0.027  -1.673
  321    HA   ARG 317           HA       ARG 317  16.714  -1.254  -0.589
  322   1HB   ARG 317          1HB       ARG 317  14.787  -0.847   0.845
  323   2HB   ARG 317          2HB       ARG 317  13.767  -1.815  -0.209
  324   1HG   ARG 317          1HG       ARG 317  14.322  -3.107   1.723
  325   2HG   ARG 317          2HG       ARG 317  15.166  -3.790   0.332
  326   1HD   ARG 317          1HD       ARG 317  17.215  -2.659   1.001
  327   2HD   ARG 317          2HD       ARG 317  16.377  -1.917   2.363
  328    HE   ARG 317           HE       ARG 317  16.177  -4.754   2.432
  329   1HH1  ARG 317          1HH1      ARG 317  18.332  -2.099   3.099
  330   2HH1  ARG 317          2HH1      ARG 317  19.223  -2.959   4.309
  331   1HH2  ARG 317          1HH2      ARG 317  17.345  -5.894   4.021
  332   2HH2  ARG 317          2HH2      ARG 317  18.664  -5.119   4.832
  333    H    PHE 318           H        PHE 318  14.008  -2.194  -2.680
  334    HA   PHE 318           HA       PHE 318  15.402  -4.697  -3.315
  335   1HB   PHE 318          1HB       PHE 318  12.539  -3.847  -3.798
  336   2HB   PHE 318          2HB       PHE 318  13.222  -5.382  -4.321
  337    HD1  PHE 318           HD1      PHE 318  13.789  -7.108  -2.706
  338    HD2  PHE 318           HD2      PHE 318  12.020  -3.434  -1.489
  339    HE1  PHE 318           HE1      PHE 318  13.241  -8.101  -0.524
  340    HE2  PHE 318           HE2      PHE 318  11.470  -4.420   0.697
  341    HZ   PHE 318           HZ       PHE 318  12.082  -6.756   1.182
  342    H    GLN 319           H        GLN 319  16.239  -2.120  -4.356
  343    HA   GLN 319           HA       GLN 319  15.378  -1.590  -6.945
  344   1HB   GLN 319          1HB       GLN 319  16.852  -0.085  -5.720
  345   2HB   GLN 319          2HB       GLN 319  18.142  -1.280  -5.759
  346   1HG   GLN 319          1HG       GLN 319  18.268  -1.089  -8.179
  347   2HG   GLN 319          2HG       GLN 319  16.941   0.070  -8.167
  348   1HE2  GLN 319          1HE2      GLN 319  19.434   0.013  -5.728
  349   2HE2  GLN 319          2HE2      GLN 319  20.198   1.489  -6.194
  350    H    GLY 320           H        GLY 320  17.643  -3.999  -5.752
  351   1HA   GLY 320          1HA       GLY 320  18.716  -4.767  -8.254
  352   2HA   GLY 320          2HA       GLY 320  18.707  -5.748  -6.796
  353    H    GLN 321           H        GLN 321  15.824  -5.734  -6.516
  354    HA   GLN 321           HA       GLN 321  15.109  -7.471  -8.786
  355   1HB   GLN 321          1HB       GLN 321  14.380  -7.711  -5.867
  356   2HB   GLN 321          2HB       GLN 321  13.600  -8.644  -7.136
  357   1HG   GLN 321          1HG       GLN 321  15.259 -10.014  -6.139
  358   2HG   GLN 321          2HG       GLN 321  15.836  -9.558  -7.741
  359   1HE2  GLN 321          1HE2      GLN 321  17.979  -9.893  -7.240
  360   2HE2  GLN 321          2HE2      GLN 321  18.866  -8.859  -6.177
  361    HA   PRO 322           HA       PRO 322  12.130  -3.971  -8.985
  362   1HB   PRO 322          1HB       PRO 322  11.507  -4.403 -11.614
  363   2HB   PRO 322          2HB       PRO 322  12.873  -3.418 -11.079
  364   1HG   PRO 322          1HG       PRO 322  12.836  -6.269 -11.993
  365   2HG   PRO 322          2HG       PRO 322  13.987  -4.980 -12.396
  366   1HD   PRO 322          1HD       PRO 322  14.560  -6.863 -10.565
  367   2HD   PRO 322          2HD       PRO 322  15.112  -5.184 -10.379
  368    H    ASP 323           H        ASP 323  11.858  -7.346  -9.821
  369    HA   ASP 323           HA       ASP 323   9.105  -7.486 -10.340
  370   1HB   ASP 323          1HB       ASP 323  10.707  -9.309 -10.823
  371   2HB   ASP 323          2HB       ASP 323  10.876  -9.601  -9.095
  372    H    ILE 324           H        ILE 324  10.912  -7.389  -7.346
  373    HA   ILE 324           HA       ILE 324   8.801  -8.207  -5.630
  374    HB   ILE 324           HB       ILE 324  11.148  -6.448  -4.914
  375   1HG1  ILE 324          1HG1      ILE 324  11.931  -8.495  -6.011
  376   2HG1  ILE 324          2HG1      ILE 324  12.314  -8.522  -4.294
  377   1HG2  ILE 324          1HG2      ILE 324   9.430  -6.486  -3.214
  378   2HG2  ILE 324          2HG2      ILE 324  10.832  -7.405  -2.666
  379   3HG2  ILE 324          3HG2      ILE 324   9.397  -8.249  -3.248
  380   1HD1  ILE 324          1HD1      ILE 324  11.548 -10.689  -5.056
  381   2HD1  ILE 324          2HD1      ILE 324  10.038  -9.977  -5.623
  382   3HD1  ILE 324          3HD1      ILE 324  10.410 -10.001  -3.899
  383    H    TYR 325           H        TYR 325  10.016  -5.029  -6.640
  384    HA   TYR 325           HA       TYR 325   8.255  -3.496  -5.054
  385   1HB   TYR 325          1HB       TYR 325  10.324  -2.606  -6.098
  386   2HB   TYR 325          2HB       TYR 325   9.560  -2.733  -7.677
  387    HD1  TYR 325           HD1      TYR 325   8.956  -0.683  -8.527
  388    HD2  TYR 325           HD2      TYR 325   8.535  -1.355  -4.347
  389    HE1  TYR 325           HE1      TYR 325   8.037   1.582  -8.261
  390    HE2  TYR 325           HE2      TYR 325   7.613   0.907  -4.070
  391    HH   TYR 325           HH       TYR 325   7.686   3.078  -5.251
  392    H    LYS 326           H        LYS 326   8.062  -4.666  -8.390
  393    HA   LYS 326           HA       LYS 326   5.640  -3.410  -9.070
  394   1HB   LYS 326          1HB       LYS 326   6.847  -5.986 -10.099
  395   2HB   LYS 326          2HB       LYS 326   5.482  -5.161 -10.837
  396   1HG   LYS 326          1HG       LYS 326   8.235  -3.986 -10.511
  397   2HG   LYS 326          2HG       LYS 326   7.609  -4.722 -11.988
  398   1HD   LYS 326          1HD       LYS 326   5.779  -3.036 -11.978
  399   2HD   LYS 326          2HD       LYS 326   6.558  -2.260 -10.598
  400   1HE   LYS 326          1HE       LYS 326   7.151  -1.129 -12.670
  401   2HE   LYS 326          2HE       LYS 326   8.568  -1.887 -11.944
  402   1HZ   LYS 326          1HZ       LYS 326   8.506  -2.270 -14.319
  403   2HZ   LYS 326          2HZ       LYS 326   6.975  -2.980 -14.201
  404   3HZ   LYS 326          3HZ       LYS 326   8.313  -3.736 -13.493
  405    H    ALA 327           H        ALA 327   6.368  -6.512  -7.553
  406    HA   ALA 327           HA       ALA 327   3.751  -7.554  -7.544
  407   1HB   ALA 327          1HB       ALA 327   5.736  -8.925  -7.116
  408   2HB   ALA 327          2HB       ALA 327   4.555  -9.077  -5.815
  409   3HB   ALA 327          3HB       ALA 327   5.991  -8.079  -5.590
  410    H    PHE 328           H        PHE 328   5.529  -5.587  -5.199
  411    HA   PHE 328           HA       PHE 328   3.647  -5.543  -3.144
  412   1HB   PHE 328          1HB       PHE 328   5.968  -4.665  -2.976
  413   2HB   PHE 328          2HB       PHE 328   5.504  -3.302  -3.987
  414    HD1  PHE 328           HD1      PHE 328   4.532  -5.000  -0.816
  415    HD2  PHE 328           HD2      PHE 328   4.832  -1.346  -2.976
  416    HE1  PHE 328           HE1      PHE 328   3.849  -3.759   1.196
  417    HE2  PHE 328           HE2      PHE 328   4.150  -0.098  -0.970
  418    HZ   PHE 328           HZ       PHE 328   3.657  -1.305   1.121
  419    H    LEU 329           H        LEU 329   4.182  -3.003  -5.593
  420    HA   LEU 329           HA       LEU 329   1.901  -1.511  -5.072
  421   1HB   LEU 329          1HB       LEU 329   3.335  -1.928  -7.699
  422   2HB   LEU 329          2HB       LEU 329   2.127  -0.688  -7.414
  423    HG   LEU 329           HG       LEU 329   4.757  -0.889  -5.944
  424   1HD1  LEU 329          1HD1      LEU 329   5.380   1.092  -7.275
  425   2HD1  LEU 329          2HD1      LEU 329   3.900   0.900  -8.214
  426   3HD1  LEU 329          3HD1      LEU 329   5.145  -0.348  -8.265
  427   1HD2  LEU 329          1HD2      LEU 329   2.973   0.179  -4.649
  428   2HD2  LEU 329          2HD2      LEU 329   2.668   1.287  -5.986
  429   3HD2  LEU 329          3HD2      LEU 329   4.209   1.341  -5.130
  430    H    GLU 330           H        GLU 330   2.303  -4.450  -6.925
  431    HA   GLU 330           HA       GLU 330  -0.153  -4.421  -8.299
  432   1HB   GLU 330          1HB       GLU 330   1.720  -5.959  -8.829
  433   2HB   GLU 330          2HB       GLU 330   1.407  -6.825  -7.331
  434   1HG   GLU 330          1HG       GLU 330   0.453  -8.004  -9.213
  435   2HG   GLU 330          2HG       GLU 330  -0.817  -7.423  -8.137
  436    H    ILE 331           H        ILE 331   0.771  -5.617  -5.104
  437    HA   ILE 331           HA       ILE 331  -1.705  -6.814  -4.463
  438    HB   ILE 331           HB       ILE 331   0.357  -5.635  -2.591
  439   1HG1  ILE 331          1HG1      ILE 331  -0.046  -8.501  -3.481
  440   2HG1  ILE 331          2HG1      ILE 331   1.206  -7.429  -4.096
  441   1HG2  ILE 331          1HG2      ILE 331  -1.784  -5.888  -1.487
  442   2HG2  ILE 331          2HG2      ILE 331  -0.658  -7.112  -0.900
  443   3HG2  ILE 331          3HG2      ILE 331  -1.911  -7.552  -2.061
  444   1HD1  ILE 331          1HD1      ILE 331   2.102  -8.933  -2.428
  445   2HD1  ILE 331          2HD1      ILE 331   0.916  -8.368  -1.252
  446   3HD1  ILE 331          3HD1      ILE 331   2.161  -7.269  -1.848
  447    H    LEU 332           H        LEU 332  -0.342  -3.642  -3.552
  448    HA   LEU 332           HA       LEU 332  -2.619  -2.683  -2.239
  449   1HB   LEU 332          1HB       LEU 332  -0.408  -1.219  -3.671
  450   2HB   LEU 332          2HB       LEU 332  -1.651  -0.410  -2.739
  451    HG   LEU 332           HG       LEU 332  -0.819  -2.060  -0.845
  452   1HD1  LEU 332          1HD1      LEU 332   1.525  -1.833  -2.708
  453   2HD1  LEU 332          2HD1      LEU 332   0.790  -3.297  -2.054
  454   3HD1  LEU 332          3HD1      LEU 332   1.683  -2.209  -0.994
  455   1HD2  LEU 332          1HD2      LEU 332   0.650   0.447  -1.652
  456   2HD2  LEU 332          2HD2      LEU 332   0.648  -0.280  -0.044
  457   3HD2  LEU 332          3HD2      LEU 332  -0.844   0.379  -0.717
  458    H    HIS 333           H        HIS 333  -1.797  -2.774  -5.639
  459    HA   HIS 333           HA       HIS 333  -3.774  -0.938  -6.524
  460   1HB   HIS 333          1HB       HIS 333  -1.924  -2.866  -7.782
  461   2HB   HIS 333          2HB       HIS 333  -3.392  -2.526  -8.694
  462    HD1  HIS 333           HD1      HIS 333  -3.262  -0.554 -10.177
  463    HD2  HIS 333           HD2      HIS 333  -0.517  -0.324  -7.066
  464    HE1  HIS 333           HE1      HIS 333  -1.916   1.523 -10.619
  465    HE2  HIS 333           HE2      HIS 333  -0.281   1.659  -8.708
  466    H    THR 334           H        THR 334  -3.703  -4.486  -6.299
  467    HA   THR 334           HA       THR 334  -6.246  -4.946  -7.401
  468    HB   THR 334           HB       THR 334  -4.866  -6.635  -5.305
  469    HG1  THR 334           HG1      THR 334  -3.590  -7.326  -6.867
  470   1HG2  THR 334          1HG2      THR 334  -6.932  -7.309  -7.405
  471   2HG2  THR 334          2HG2      THR 334  -7.193  -7.258  -5.661
  472   3HG2  THR 334          3HG2      THR 334  -6.126  -8.477  -6.358
  473    H    TYR 335           H        TYR 335  -5.208  -4.482  -4.040
  474    HA   TYR 335           HA       TYR 335  -7.698  -4.871  -2.816
  475   1HB   TYR 335          1HB       TYR 335  -5.543  -4.780  -1.600
  476   2HB   TYR 335          2HB       TYR 335  -5.445  -3.053  -1.928
  477    HD1  TYR 335           HD1      TYR 335  -6.959  -5.638   0.133
  478    HD2  TYR 335           HD2      TYR 335  -7.001  -1.490  -0.813
  479    HE1  TYR 335           HE1      TYR 335  -8.205  -5.184   2.206
  480    HE2  TYR 335           HE2      TYR 335  -8.247  -1.025   1.255
  481    HH   TYR 335           HH       TYR 335  -9.715  -2.208   2.827
  482    H    GLN 336           H        GLN 336  -6.156  -1.913  -4.033
  483    HA   GLN 336           HA       GLN 336  -8.170  -0.122  -3.234
  484   1HB   GLN 336          1HB       GLN 336  -5.924   0.600  -3.909
  485   2HB   GLN 336          2HB       GLN 336  -6.244   0.081  -5.557
  486   1HG   GLN 336          1HG       GLN 336  -8.042   1.746  -5.712
  487   2HG   GLN 336          2HG       GLN 336  -7.663   2.285  -4.078
  488   1HE2  GLN 336          1HE2      GLN 336  -7.157   4.357  -4.742
  489   2HE2  GLN 336          2HE2      GLN 336  -5.717   4.725  -5.624
  490    H    LYS 337           H        LYS 337  -7.748  -2.033  -6.167
  491    HA   LYS 337           HA       LYS 337  -9.856  -0.865  -7.641
  492   1HB   LYS 337          1HB       LYS 337  -8.092  -2.166  -8.706
  493   2HB   LYS 337          2HB       LYS 337  -8.628  -3.616  -7.868
  494   1HG   LYS 337          1HG       LYS 337 -10.724  -3.579  -9.076
  495   2HG   LYS 337          2HG       LYS 337 -10.271  -2.065  -9.861
  496   1HD   LYS 337          1HD       LYS 337  -8.399  -3.175 -10.955
  497   2HD   LYS 337          2HD       LYS 337  -8.800  -4.686 -10.137
  498   1HE   LYS 337          1HE       LYS 337 -10.556  -3.215 -12.099
  499   2HE   LYS 337          2HE       LYS 337  -9.619  -4.669 -12.441
  500   1HZ   LYS 337          1HZ       LYS 337 -11.928  -5.197 -11.991
  501   2HZ   LYS 337          2HZ       LYS 337 -11.831  -4.462 -10.470
  502   3HZ   LYS 337          3HZ       LYS 337 -10.931  -5.857 -10.794
  503    H    GLU 338           H        GLU 338  -9.715  -3.921  -5.799
  504    HA   GLU 338           HA       GLU 338 -12.434  -4.564  -6.156
  505   1HB   GLU 338          1HB       GLU 338 -12.108  -6.187  -4.354
  506   2HB   GLU 338          2HB       GLU 338 -10.779  -6.237  -5.502
  507   1HG   GLU 338          1HG       GLU 338  -9.660  -6.352  -3.514
  508   2HG   GLU 338          2HG       GLU 338  -9.634  -4.616  -3.816
  509    H    GLN 339           H        GLN 339 -10.826  -2.388  -4.012
  510    HA   GLN 339           HA       GLN 339 -12.875  -2.224  -2.037
  511   1HB   GLN 339          1HB       GLN 339 -10.522  -1.516  -1.656
  512   2HB   GLN 339          2HB       GLN 339 -10.772  -0.174  -2.762
  513   1HG   GLN 339          1HG       GLN 339 -12.681  -0.397  -0.526
  514   2HG   GLN 339          2HG       GLN 339 -11.021   0.020  -0.106
  515   1HE2  GLN 339          1HE2      GLN 339 -11.590   2.085   0.545
  516   2HE2  GLN 339          2HE2      GLN 339 -12.025   3.324  -0.578
  517    H    ARG 340           H        ARG 340 -12.008  -0.213  -4.838
  518    HA   ARG 340           HA       ARG 340 -14.123   1.633  -4.556
  519   1HB   ARG 340          1HB       ARG 340 -12.173   2.136  -5.919
  520   2HB   ARG 340          2HB       ARG 340 -12.551   0.805  -7.003
  521   1HG   ARG 340          1HG       ARG 340 -14.679   1.978  -7.578
  522   2HG   ARG 340          2HG       ARG 340 -14.108   3.353  -6.629
  523   1HD   ARG 340          1HD       ARG 340 -12.678   2.151  -8.999
  524   2HD   ARG 340          2HD       ARG 340 -13.661   3.614  -9.039
  525    HE   ARG 340           HE       ARG 340 -11.950   4.384  -7.252
  526   1HH1  ARG 340          1HH1      ARG 340 -11.277   2.406 -10.041
  527   2HH1  ARG 340          2HH1      ARG 340  -9.636   2.941 -10.185
  528   1HH2  ARG 340          1HH2      ARG 340  -9.795   5.097  -7.437
  529   2HH2  ARG 340          2HH2      ARG 340  -8.794   4.473  -8.704
  530    H    ASN 341           H        ASN 341 -13.844  -1.445  -6.234
  531    HA   ASN 341           HA       ASN 341 -16.309  -1.278  -7.626
  532   1HB   ASN 341          1HB       ASN 341 -14.530  -3.601  -6.888
  533   2HB   ASN 341          2HB       ASN 341 -16.022  -3.807  -7.799
  534   1HD2  ASN 341          1HD2      ASN 341 -13.888  -1.045  -8.102
  535   2HD2  ASN 341          2HD2      ASN 341 -13.363  -1.389  -9.710
  536    H    ALA 342           H        ALA 342 -15.368  -2.597  -4.490
  537    HA   ALA 342           HA       ALA 342 -17.810  -3.880  -3.898
  538   1HB   ALA 342          1HB       ALA 342 -15.776  -2.741  -1.983
  539   2HB   ALA 342          2HB       ALA 342 -15.731  -4.353  -2.695
  540   3HB   ALA 342          3HB       ALA 342 -17.034  -3.914  -1.590
  541    H    LYS 343           H        LYS 343 -16.578  -0.655  -3.029
  542    HA   LYS 343           HA       LYS 343 -18.836   0.168  -1.566
  543   1HB   LYS 343          1HB       LYS 343 -16.765   1.770  -3.074
  544   2HB   LYS 343          2HB       LYS 343 -17.983   2.488  -2.030
  545   1HG   LYS 343          1HG       LYS 343 -17.086   1.256  -0.124
  546   2HG   LYS 343          2HG       LYS 343 -15.868   0.523  -1.170
  547   1HD   LYS 343          1HD       LYS 343 -14.885   2.373   0.032
  548   2HD   LYS 343          2HD       LYS 343 -15.002   2.786  -1.680
  549   1HE   LYS 343          1HE       LYS 343 -17.014   4.088  -1.241
  550   2HE   LYS 343          2HE       LYS 343 -16.946   3.643   0.463
  551   1HZ   LYS 343          1HZ       LYS 343 -14.884   5.216  -0.986
  552   2HZ   LYS 343          2HZ       LYS 343 -14.843   4.807   0.655
  553   3HZ   LYS 343          3HZ       LYS 343 -16.040   5.853   0.073
  554    H    GLU 344           H        GLU 344 -17.987   0.569  -4.986
  555    HA   GLU 344           HA       GLU 344 -20.250   2.108  -5.691
  556   1HB   GLU 344          1HB       GLU 344 -18.204   1.957  -7.069
  557   2HB   GLU 344          2HB       GLU 344 -18.587   0.280  -7.434
  558   1HG   GLU 344          1HG       GLU 344 -20.667   1.013  -8.519
  559   2HG   GLU 344          2HG       GLU 344 -20.220   2.688  -8.199
  560    H    ALA 345           H        ALA 345 -19.699  -1.325  -5.383
  561    HA   ALA 345           HA       ALA 345 -22.301  -1.952  -6.555
  562   1HB   ALA 345          1HB       ALA 345 -20.403  -3.332  -7.217
  563   2HB   ALA 345          2HB       ALA 345 -21.606  -4.289  -6.353
  564   3HB   ALA 345          3HB       ALA 345 -20.130  -3.781  -5.533
  565    H    GLY 346           H        GLY 346 -22.612  -0.481  -4.290
  566   1HA   GLY 346          1HA       GLY 346 -22.743  -1.810  -1.850
  567   2HA   GLY 346          2HA       GLY 346 -23.776  -0.466  -2.313
  568    H    GLY 347           H        GLY 347 -23.563  -3.850  -1.796
  569   1HA   GLY 347          1HA       GLY 347 -26.239  -4.307  -1.414
  570   2HA   GLY 347          2HA       GLY 347 -25.994  -4.572  -3.134
  571    H    ASN 348           H        ASN 348 -25.462  -6.558  -3.744
  572    HA   ASN 348           HA       ASN 348 -24.453  -8.409  -1.691
  573   1HB   ASN 348          1HB       ASN 348 -26.000  -8.994  -4.225
  574   2HB   ASN 348          2HB       ASN 348 -25.391 -10.213  -3.111
  575   1HD2  ASN 348          1HD2      ASN 348 -25.956  -8.602  -0.755
  576   2HD2  ASN 348          2HD2      ASN 348 -27.669  -8.658  -0.535
  577    H    TYR 349           H        TYR 349 -22.275  -8.216  -1.887
  578    HA   TYR 349           HA       TYR 349 -21.031  -9.492  -4.126
  579   1HB   TYR 349          1HB       TYR 349 -21.343  -7.228  -5.053
  580   2HB   TYR 349          2HB       TYR 349 -20.469  -6.552  -3.683
  581    HD1  TYR 349           HD1      TYR 349 -18.098  -6.501  -3.653
  582    HD2  TYR 349           HD2      TYR 349 -20.127  -8.690  -6.685
  583    HE1  TYR 349           HE1      TYR 349 -15.980  -6.759  -4.875
  584    HE2  TYR 349           HE2      TYR 349 -18.015  -8.956  -7.915
  585    HH   TYR 349           HH       TYR 349 -14.998  -8.306  -6.552
  586    H    THR 350           H        THR 350 -19.302 -10.554  -3.400
  587    HA   THR 350           HA       THR 350 -18.249  -9.812  -0.767
  588    HB   THR 350           HB       THR 350 -19.041 -12.078  -0.835
  589    HG1  THR 350           HG1      THR 350 -17.341 -12.700   0.253
  590   1HG2  THR 350          1HG2      THR 350 -17.205 -12.435  -3.206
  591   2HG2  THR 350          2HG2      THR 350 -18.965 -12.539  -3.202
  592   3HG2  THR 350          3HG2      THR 350 -18.008 -13.754  -2.355
  593    HA   PRO 351           HA       PRO 351 -14.576  -8.325  -2.851
  594   1HB   PRO 351          1HB       PRO 351 -13.389  -8.241  -0.167
  595   2HB   PRO 351          2HB       PRO 351 -13.706  -6.920  -1.292
  596   1HG   PRO 351          1HG       PRO 351 -15.131  -7.229   0.967
  597   2HG   PRO 351          2HG       PRO 351 -15.857  -6.603  -0.525
  598   1HD   PRO 351          1HD       PRO 351 -16.006  -9.360   0.643
  599   2HD   PRO 351          2HD       PRO 351 -17.288  -8.383  -0.104
  600    H    ALA 352           H        ALA 352 -12.160  -8.810  -2.701
  601    HA   ALA 352           HA       ALA 352 -11.756 -11.666  -2.085
  602   1HB   ALA 352          1HB       ALA 352 -10.535 -10.100  -4.358
  603   2HB   ALA 352          2HB       ALA 352 -11.845 -11.273  -4.500
  604   3HB   ALA 352          3HB       ALA 352 -10.241 -11.800  -3.990
  605    H    LEU 353           H        LEU 353 -10.089  -8.556  -2.526
  606    HA   LEU 353           HA       LEU 353  -7.874  -9.493  -0.871
  607   1HB   LEU 353          1HB       LEU 353  -8.301  -7.175  -2.709
  608   2HB   LEU 353          2HB       LEU 353  -7.066  -7.062  -1.470
  609    HG   LEU 353           HG       LEU 353  -6.189  -7.765  -3.678
  610   1HD1  LEU 353          1HD1      LEU 353  -5.950  -9.770  -1.444
  611   2HD1  LEU 353          2HD1      LEU 353  -4.948  -8.341  -1.703
  612   3HD1  LEU 353          3HD1      LEU 353  -4.880  -9.685  -2.842
  613   1HD2  LEU 353          1HD2      LEU 353  -7.782 -10.278  -3.194
  614   2HD2  LEU 353          2HD2      LEU 353  -6.644  -9.999  -4.511
  615   3HD2  LEU 353          3HD2      LEU 353  -8.134  -9.060  -4.420
  616    H    THR 354           H        THR 354  -8.167  -9.322   1.250
  617    HA   THR 354           HA       THR 354  -9.523  -6.924   2.298
  618    HB   THR 354           HB       THR 354 -10.008  -8.210   4.324
  619    HG1  THR 354           HG1      THR 354  -9.613 -10.660   3.821
  620   1HG2  THR 354          1HG2      THR 354 -10.845  -9.662   1.812
  621   2HG2  THR 354          2HG2      THR 354 -11.639  -8.244   2.498
  622   3HG2  THR 354          3HG2      THR 354 -11.641  -9.770   3.382
  623    H    GLU 355           H        GLU 355  -8.761  -6.703   4.787
  624    HA   GLU 355           HA       GLU 355  -6.132  -5.705   4.660
  625   1HB   GLU 355          1HB       GLU 355  -7.917  -6.283   7.025
  626   2HB   GLU 355          2HB       GLU 355  -6.376  -5.447   7.148
  627   1HG   GLU 355          1HG       GLU 355  -7.243  -3.716   5.610
  628   2HG   GLU 355          2HG       GLU 355  -8.804  -4.534   5.622
  629    H    GLN 356           H        GLN 356  -7.463  -8.639   6.146
  630    HA   GLN 356           HA       GLN 356  -5.020  -9.546   7.246
  631   1HB   GLN 356          1HB       GLN 356  -7.506 -11.084   6.478
  632   2HB   GLN 356          2HB       GLN 356  -6.180 -11.737   7.431
  633   1HG   GLN 356          1HG       GLN 356  -6.600 -10.069   9.163
  634   2HG   GLN 356          2HG       GLN 356  -7.927  -9.411   8.208
  635   1HE2  GLN 356          1HE2      GLN 356  -8.782 -12.054   7.301
  636   2HE2  GLN 356          2HE2      GLN 356  -9.577 -12.785   8.647
  637    H    GLU 357           H        GLU 357  -6.725 -10.360   4.239
  638    HA   GLU 357           HA       GLU 357  -4.958 -12.298   3.295
  639   1HB   GLU 357          1HB       GLU 357  -7.167 -11.881   2.306
  640   2HB   GLU 357          2HB       GLU 357  -6.607 -10.331   1.696
  641   1HG   GLU 357          1HG       GLU 357  -6.651 -12.059  -0.036
  642   2HG   GLU 357          2HG       GLU 357  -5.027 -11.428   0.239
  643    H    VAL 358           H        VAL 358  -4.974  -8.789   2.712
  644    HA   VAL 358           HA       VAL 358  -2.763  -8.703   1.004
  645    HB   VAL 358           HB       VAL 358  -3.902  -6.628   2.870
  646   1HG1  VAL 358          1HG1      VAL 358  -2.494  -4.979   1.683
  647   2HG1  VAL 358          2HG1      VAL 358  -1.647  -6.307   0.890
  648   3HG1  VAL 358          3HG1      VAL 358  -1.547  -6.118   2.641
  649   1HG2  VAL 358          1HG2      VAL 358  -5.269  -7.274   0.943
  650   2HG2  VAL 358          2HG2      VAL 358  -3.924  -6.900  -0.134
  651   3HG2  VAL 358          3HG2      VAL 358  -4.691  -5.613   0.797
  652    H    TYR 359           H        TYR 359  -2.847  -7.990   4.513
  653    HA   TYR 359           HA       TYR 359  -0.141  -7.639   4.912
  654   1HB   TYR 359          1HB       TYR 359  -2.069  -7.384   6.591
  655   2HB   TYR 359          2HB       TYR 359  -1.863  -9.104   6.905
  656    HD1  TYR 359           HD1      TYR 359  -0.703  -5.802   7.655
  657    HD2  TYR 359           HD2      TYR 359   0.428  -9.904   7.703
  658    HE1  TYR 359           HE1      TYR 359   1.084  -5.286   9.263
  659    HE2  TYR 359           HE2      TYR 359   2.220  -9.396   9.309
  660    HH   TYR 359           HH       TYR 359   3.553  -7.509  10.050
  661    H    ALA 360           H        ALA 360  -1.954 -10.628   4.599
  662    HA   ALA 360           HA       ALA 360   0.057 -12.402   5.466
  663   1HB   ALA 360          1HB       ALA 360  -2.312 -13.026   5.226
  664   2HB   ALA 360          2HB       ALA 360  -1.237 -14.138   4.380
  665   3HB   ALA 360          3HB       ALA 360  -2.145 -12.929   3.473
  666    H    GLN 361           H        GLN 361  -0.957 -11.627   2.128
  667    HA   GLN 361           HA       GLN 361   1.121 -12.971   0.837
  668   1HB   GLN 361          1HB       GLN 361  -0.420 -10.533  -0.065
  669   2HB   GLN 361          2HB       GLN 361   0.593 -11.522  -1.108
  670   1HG   GLN 361          1HG       GLN 361  -0.852 -13.450  -0.662
  671   2HG   GLN 361          2HG       GLN 361  -1.880 -12.433   0.346
  672   1HE2  GLN 361          1HE2      GLN 361  -2.514 -13.924  -2.083
  673   2HE2  GLN 361          2HE2      GLN 361  -3.129 -12.766  -3.207
  674    H    VAL 362           H        VAL 362   0.863  -9.522   1.685
  675    HA   VAL 362           HA       VAL 362   3.318  -8.672   0.713
  676    HB   VAL 362           HB       VAL 362   1.909  -7.662   3.193
  677   1HG1  VAL 362          1HG1      VAL 362   4.225  -6.903   3.039
  678   2HG1  VAL 362          2HG1      VAL 362   3.101  -5.572   2.771
  679   3HG1  VAL 362          3HG1      VAL 362   3.929  -6.315   1.402
  680   1HG2  VAL 362          1HG2      VAL 362   0.511  -7.692   1.125
  681   2HG2  VAL 362          2HG2      VAL 362   1.697  -6.629   0.368
  682   3HG2  VAL 362          3HG2      VAL 362   0.795  -6.080   1.780
  683    H    ALA 363           H        ALA 363   2.501 -10.294   3.724
  684    HA   ALA 363           HA       ALA 363   5.056  -9.974   4.944
  685   1HB   ALA 363          1HB       ALA 363   2.913 -12.022   5.507
  686   2HB   ALA 363          2HB       ALA 363   3.046 -10.432   6.261
  687   3HB   ALA 363          3HB       ALA 363   4.291 -11.650   6.543
  688    H    ARG 364           H        ARG 364   3.599 -12.366   2.836
  689    HA   ARG 364           HA       ARG 364   5.570 -14.368   3.099
  690   1HB   ARG 364          1HB       ARG 364   3.343 -14.757   2.097
  691   2HB   ARG 364          2HB       ARG 364   3.796 -13.755   0.725
  692   1HG   ARG 364          1HG       ARG 364   5.613 -15.354   0.210
  693   2HG   ARG 364          2HG       ARG 364   5.037 -16.379   1.525
  694   1HD   ARG 364          1HD       ARG 364   3.492 -15.583  -0.940
  695   2HD   ARG 364          2HD       ARG 364   4.179 -17.171  -0.602
  696    HE   ARG 364           HE       ARG 364   2.591 -17.025   1.442
  697   1HH1  ARG 364          1HH1      ARG 364   1.953 -15.805  -1.759
  698   2HH1  ARG 364          2HH1      ARG 364   0.239 -16.020  -1.639
  699   1HH2  ARG 364          1HH2      ARG 364   0.334 -17.313   1.607
  700   2HH2  ARG 364          2HH2      ARG 364  -0.680 -16.880   0.272
  701    H    LEU 365           H        LEU 365   5.253 -11.567   0.982
  702    HA   LEU 365           HA       LEU 365   7.516 -12.160  -0.637
  703   1HB   LEU 365          1HB       LEU 365   6.120  -9.535  -0.100
  704   2HB   LEU 365          2HB       LEU 365   7.340  -9.781  -1.334
  705    HG   LEU 365           HG       LEU 365   4.677 -11.201  -1.257
  706   1HD1  LEU 365          1HD1      LEU 365   4.069  -9.737  -3.122
  707   2HD1  LEU 365          2HD1      LEU 365   5.593  -8.868  -2.935
  708   3HD1  LEU 365          3HD1      LEU 365   4.384  -8.816  -1.651
  709   1HD2  LEU 365          1HD2      LEU 365   6.820 -11.073  -3.376
  710   2HD2  LEU 365          2HD2      LEU 365   5.249 -11.854  -3.547
  711   3HD2  LEU 365          3HD2      LEU 365   6.420 -12.476  -2.385
  712    H    PHE 366           H        PHE 366   7.010 -10.235   2.277
  713    HA   PHE 366           HA       PHE 366   9.910  -9.760   2.422
  714   1HB   PHE 366          1HB       PHE 366   7.797  -8.366   4.067
  715   2HB   PHE 366          2HB       PHE 366   9.474  -7.887   3.832
  716    HD1  PHE 366           HD1      PHE 366   9.780  -8.086   0.927
  717    HD2  PHE 366           HD2      PHE 366   6.525  -6.625   3.250
  718    HE1  PHE 366           HE1      PHE 366   9.101  -6.639  -0.942
  719    HE2  PHE 366           HE2      PHE 366   5.838  -5.179   1.382
  720    HZ   PHE 366           HZ       PHE 366   7.126  -5.184  -0.718
  721    H    LYS 367           H        LYS 367  10.191 -11.973   3.155
  722    HA   LYS 367           HA       LYS 367   9.156 -12.612   5.798
  723   1HB   LYS 367          1HB       LYS 367   9.143 -14.376   4.110
  724   2HB   LYS 367          2HB       LYS 367  10.879 -14.210   3.896
  725   1HG   LYS 367          1HG       LYS 367  10.410 -16.149   5.236
  726   2HG   LYS 367          2HG       LYS 367  11.212 -14.930   6.227
  727   1HD   LYS 367          1HD       LYS 367   9.013 -14.243   7.111
  728   2HD   LYS 367          2HD       LYS 367   8.252 -15.522   6.162
  729   1HE   LYS 367          1HE       LYS 367  10.297 -15.897   8.348
  730   2HE   LYS 367          2HE       LYS 367   8.569 -16.224   8.474
  731   1HZ   LYS 367          1HZ       LYS 367   8.793 -17.928   6.789
  732   2HZ   LYS 367          2HZ       LYS 367   9.847 -18.241   8.073
  733   3HZ   LYS 367          3HZ       LYS 367  10.445 -17.599   6.628
  734    H    ASN 368           H        ASN 368  12.039 -11.489   4.284
  735    HA   ASN 368           HA       ASN 368  13.607 -11.935   6.721
  736   1HB   ASN 368          1HB       ASN 368  14.517 -10.971   4.000
  737   2HB   ASN 368          2HB       ASN 368  15.561 -11.365   5.362
  738   1HD2  ASN 368          1HD2      ASN 368  13.949 -13.661   6.157
  739   2HD2  ASN 368          2HD2      ASN 368  14.285 -14.903   5.004
  740    H    GLN 369           H        GLN 369  11.608  -9.652   5.501
  741    HA   GLN 369           HA       GLN 369  12.893  -7.547   7.072
  742   1HB   GLN 369          1HB       GLN 369  13.485  -7.218   4.663
  743   2HB   GLN 369          2HB       GLN 369  11.770  -7.062   4.309
  744   1HG   GLN 369          1HG       GLN 369  12.699  -4.879   4.452
  745   2HG   GLN 369          2HG       GLN 369  11.685  -5.138   5.871
  746   1HE2  GLN 369          1HE2      GLN 369  14.851  -6.552   5.496
  747   2HE2  GLN 369          2HE2      GLN 369  15.629  -5.617   6.723
  748    H    GLU 370           H        GLU 370  11.287  -7.979   8.627
  749    HA   GLU 370           HA       GLU 370   8.500  -7.834   7.971
  750   1HB   GLU 370          1HB       GLU 370   9.315  -9.207   9.836
  751   2HB   GLU 370          2HB       GLU 370   9.887  -7.761  10.656
  752   1HG   GLU 370          1HG       GLU 370   7.610  -6.949  10.863
  753   2HG   GLU 370          2HG       GLU 370   7.014  -8.358   9.987
  754    H    ASP 371           H        ASP 371  10.948  -5.566   8.736
  755    HA   ASP 371           HA       ASP 371   9.684  -3.517  10.034
  756   1HB   ASP 371          1HB       ASP 371  12.056  -3.470   9.416
  757   2HB   ASP 371          2HB       ASP 371  11.619  -3.265   7.723
  758    H    LEU 372           H        LEU 372   9.493  -4.299   6.586
  759    HA   LEU 372           HA       LEU 372   8.012  -2.039   5.801
  760   1HB   LEU 372          1HB       LEU 372   8.557  -4.721   4.654
  761   2HB   LEU 372          2HB       LEU 372   7.199  -3.829   3.994
  762    HG   LEU 372           HG       LEU 372   8.664  -1.984   3.379
  763   1HD1  LEU 372          1HD1      LEU 372  11.100  -2.193   3.615
  764   2HD1  LEU 372          2HD1      LEU 372  10.869  -3.663   4.562
  765   3HD1  LEU 372          3HD1      LEU 372  10.280  -2.117   5.175
  766   1HD2  LEU 372          1HD2      LEU 372   9.998  -3.133   1.666
  767   2HD2  LEU 372          2HD2      LEU 372   8.354  -3.764   1.765
  768   3HD2  LEU 372          3HD2      LEU 372   9.691  -4.671   2.475
  769    H    LEU 373           H        LEU 373   6.976  -5.267   6.852
  770    HA   LEU 373           HA       LEU 373   4.218  -4.859   6.471
  771   1HB   LEU 373          1HB       LEU 373   5.894  -6.778   7.987
  772   2HB   LEU 373          2HB       LEU 373   4.222  -6.639   8.482
  773    HG   LEU 373           HG       LEU 373   4.462  -8.476   6.941
  774   1HD1  LEU 373          1HD1      LEU 373   2.839  -7.839   5.237
  775   2HD1  LEU 373          2HD1      LEU 373   3.106  -6.137   5.608
  776   3HD1  LEU 373          3HD1      LEU 373   2.388  -7.199   6.817
  777   1HD2  LEU 373          1HD2      LEU 373   6.467  -7.780   5.805
  778   2HD2  LEU 373          2HD2      LEU 373   5.609  -6.434   5.056
  779   3HD2  LEU 373          3HD2      LEU 373   5.192  -8.094   4.628
  780    H    SER 374           H        SER 374   6.366  -4.129   9.158
  781    HA   SER 374           HA       SER 374   4.398  -3.525  11.079
  782   1HB   SER 374          1HB       SER 374   6.745  -3.885  11.684
  783   2HB   SER 374          2HB       SER 374   7.208  -2.431  10.801
  784    HG   SER 374           HG       SER 374   7.003  -1.928  12.973
  785    H    GLU 375           H        GLU 375   6.293  -1.346   8.982
  786    HA   GLU 375           HA       GLU 375   4.856   0.980   9.702
  787   1HB   GLU 375          1HB       GLU 375   6.707   0.283   7.448
  788   2HB   GLU 375          2HB       GLU 375   5.841   1.814   7.436
  789   1HG   GLU 375          1HG       GLU 375   8.092   2.032   8.360
  790   2HG   GLU 375          2HG       GLU 375   6.847   2.442   9.539
  791    H    PHE 376           H        PHE 376   4.268  -1.554   7.420
  792    HA   PHE 376           HA       PHE 376   2.316  -0.108   5.887
  793   1HB   PHE 376          1HB       PHE 376   3.566  -1.941   4.866
  794   2HB   PHE 376          2HB       PHE 376   2.916  -3.070   6.050
  795    HD1  PHE 376           HD1      PHE 376   1.814  -0.688   3.408
  796    HD2  PHE 376           HD2      PHE 376   1.033  -4.291   5.533
  797    HE1  PHE 376           HE1      PHE 376  -0.085  -1.153   1.914
  798    HE2  PHE 376           HE2      PHE 376  -0.868  -4.762   4.044
  799    HZ   PHE 376           HZ       PHE 376  -1.429  -3.192   2.232
  800    H    GLY 377           H        GLY 377   2.340  -1.983   8.792
  801   1HA   GLY 377          1HA       GLY 377  -0.514  -2.473   8.785
  802   2HA   GLY 377          2HA       GLY 377   0.613  -2.883  10.067
  803    H    GLN 378           H        GLN 378   1.715  -0.248  10.405
  804    HA   GLN 378           HA       GLN 378  -0.041   0.789  12.305
  805   1HB   GLN 378          1HB       GLN 378   1.403   2.787  12.319
  806   2HB   GLN 378          2HB       GLN 378   2.333   1.296  12.362
  807   1HG   GLN 378          1HG       GLN 378   2.876   1.511  10.032
  808   2HG   GLN 378          2HG       GLN 378   1.826   2.917   9.880
  809   1HE2  GLN 378          1HE2      GLN 378   2.643   3.989  12.477
  810   2HE2  GLN 378          2HE2      GLN 378   4.226   4.639  12.246
  811    H    PHE 379           H        PHE 379   0.068   1.258   8.888
  812    HA   PHE 379           HA       PHE 379  -1.486   3.682   8.897
  813   1HB   PHE 379          1HB       PHE 379  -0.529   1.815   6.742
  814   2HB   PHE 379          2HB       PHE 379  -1.683   3.095   6.385
  815    HD1  PHE 379           HD1      PHE 379  -0.892   5.435   7.581
  816    HD2  PHE 379           HD2      PHE 379   1.635   2.308   6.188
  817    HE1  PHE 379           HE1      PHE 379   0.954   7.042   7.338
  818    HE2  PHE 379           HE2      PHE 379   3.488   3.909   5.944
  819    HZ   PHE 379           HZ       PHE 379   3.148   6.280   6.521
  820    H    LEU 380           H        LEU 380  -2.087   0.255   8.239
  821    HA   LEU 380           HA       LEU 380  -4.761   0.476   7.453
  822   1HB   LEU 380          1HB       LEU 380  -3.428  -1.807   8.910
  823   2HB   LEU 380          2HB       LEU 380  -4.942  -1.901   8.031
  824    HG   LEU 380           HG       LEU 380  -2.262  -1.277   6.790
  825   1HD1  LEU 380          1HD1      LEU 380  -2.369  -3.575   7.591
  826   2HD1  LEU 380          2HD1      LEU 380  -2.410  -3.516   5.829
  827   3HD1  LEU 380          3HD1      LEU 380  -3.893  -3.811   6.736
  828   1HD2  LEU 380          1HD2      LEU 380  -4.091  -0.256   5.570
  829   2HD2  LEU 380          2HD2      LEU 380  -4.968  -1.786   5.560
  830   3HD2  LEU 380          3HD2      LEU 380  -3.455  -1.632   4.666
  831    HA   PRO 381           HA       PRO 381  -6.803   1.473  11.259
  832   1HB   PRO 381          1HB       PRO 381  -9.323   0.715  10.656
  833   2HB   PRO 381          2HB       PRO 381  -8.567   2.143   9.938
  834   1HG   PRO 381          1HG       PRO 381  -8.915  -0.599   8.788
  835   2HG   PRO 381          2HG       PRO 381  -9.141   0.980   8.010
  836   1HD   PRO 381          1HD       PRO 381  -6.900  -0.538   7.690
  837   2HD   PRO 381          2HD       PRO 381  -6.895   1.234   7.600
  838    H    ASP 382           H        ASP 382  -8.012   0.513  13.026
  839    HA   ASP 382           HA       ASP 382  -8.323  -1.094  14.602
  840   1HB   ASP 382          1HB       ASP 382  -8.792  -2.824  12.164
  841   2HB   ASP 382          2HB       ASP 382  -9.194  -3.281  13.816
  842    H    ALA 383           H        ALA 383  -5.636  -0.747  13.158
  843    HA   ALA 383           HA       ALA 383  -4.302  -2.886  14.583
  844   1HB   ALA 383          1HB       ALA 383  -3.915  -2.583  11.606
  845   2HB   ALA 383          2HB       ALA 383  -4.758  -3.912  12.404
  846   3HB   ALA 383          3HB       ALA 383  -3.030  -3.680  12.667