*HEADER    VIRAL PROTEIN                           02-AUG-16   5LMY              
*TITLE     SOLUTION STRUCTURE OF THE M-PMV MYRISTOYLATED MATRIX PROTEIN          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MATRIX PROTEIN P10;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: MYRISTOYLATED MATRIX PROTEIN OF MASON-PFIZER MONKEY   
*COMPND   6 VIRUS. N-TERMINALY MYRISTOYLATED WITH C-TERMINAL EXTENSION WITH 20 AA
*COMPND   7 FROM PHOSPOHOPROTEIN (PP24) AND HIS-TAG.                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MASON-PFIZER MONKEY VIRUS;                      
*SOURCE   3 ORGANISM_COMMON: MPMV;                                               
*SOURCE   4 ORGANISM_TAXID: 11855;                                               
*SOURCE   5 GENE: GAG;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008                                      
*KEYWDS    MATRIX, M-PMV, MYRISTOYLATED, RETROVIRUS, VIRAL PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    J.PRCHAL,R.HRABAL                                                     
*REVDAT   1   05-OCT-16 5LMY    0                                                
# Restraints file 1: 41.tbl
assign ( resid 69 and name HG1
	 )
       ( resid 69 and name HB
	 ) 2.9 0.6 0.6 volume=1.748 peak=346 ppm1=0.312 ppm2=3.610

assign ( resid 11 and name HB1
	 )
       ( resid 12 and name HG2#
	 ) 4.3 0.9 0.9 volume=0.516 peak=157 ppm1=3.125 ppm2=1.153

assign ( resid 86 and name HD1#
	 )
       ( resid 85 and name HG
	 ) 4.2 0.8 0.8 volume=0.586 peak=400 ppm1=0.809 ppm2=1.710

assign ( resid 53 and name HA
	 )
       ( resid 56 and name HB2
	 ) 3.4 0.7 0.7 volume=0.684 peak=117 ppm1=4.143 ppm2=3.310

assign ( resid 74 and name HA
	 )
       ( resid 74 and name HG1
	 ) 3.2 0.6 1.6 volume=1.044 peak=418 ppm1=4.388 ppm2=1.292

assign ( resid 90 and name HG11
	 )
       ( resid 53 and name HD1#
	 ) 4.3 0.9 0.9 volume=0.531 peak=334 ppm1=1.252 ppm2=0.900

assign ( resid 53 and name HD1#
	 )
       ( resid 53 and name HN
	 ) 4.8 2.0 1.0 volume=0.275 peak=544 ppm1=0.978 ppm2=8.805

assign ( resid 19 and name HA
	 )
       ( resid 21 and name HN
	 ) 3.9 0.8 0.8 volume=0.314 peak=212 ppm1=3.791 ppm2=7.914

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HN
	 ) 3.5 0.7 0.7 volume=0.539 peak=479 ppm1=3.784 ppm2=8.174

assign ( resid 109 and name HA
	 )
       ( resid 110 and name HN
	 ) 3.5 0.7 0.7 volume=0.561 peak=21 ppm1=4.041 ppm2=8.193

assign ( resid 84 and name HB2
	 )
       ( resid 85 and name HB2
	 ) 4.3 0.9 0.9 volume=0.181 peak=413 ppm1=2.902 ppm2=1.788

assign ( resid 89 and name HA
	 )
       ( resid 89 and name HG
	 ) 2.8 0.6 0.6 volume=2.236 peak=325 ppm1=3.917 ppm2=0.660

assign ( resid 90 and name HD1#
	 )
       ( resid 90 and name HA
	 ) 3.6 1.7 0.7 volume=1.422 peak=470 ppm1=0.017 ppm2=3.303

assign ( resid 19 and name HD2#
	 )
       ( resid 85 and name HB2
	 ) 3.2 0.6 1.6 volume=2.963 peak=498 ppm1=0.637 ppm2=1.829

assign ( resid 116 and name HB
	 )
       ( resid 116 and name HN
	 ) 3.6 0.7 0.7 volume=0.477 peak=112 ppm1=4.166 ppm2=8.059

assign ( resid 43 and name HD1
	 )
       ( resid 43 and name HA
	 ) 3.9 0.8 0.8 volume=0.298 peak=219 ppm1=3.904 ppm2=4.322

assign ( resid 101 and name HB#
	 )
       ( resid 102 and name HN
	 ) 3.7 0.7 0.7 volume=1.231 peak=351 ppm1=1.409 ppm2=7.570

assign ( resid 69 and name HB
	 )
       ( resid 69 and name HA
	 ) 3.2 0.6 0.6 volume=1.013 peak=91 ppm1=3.604 ppm2=3.843

assign ( resid 31 and name HG
	 )
       ( resid 12 and name HA
	 ) 3.9 0.8 1.8 volume=0.316 peak=488 ppm1=0.599 ppm2=3.198

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HB1
	 ) 2.7 0.5 0.5 volume=2.502 peak=106 ppm1=4.321 ppm2=2.417

assign ( resid 31 and name HA
	 )
       ( resid 33 and name HN
	 ) 4.6 0.9 0.9 volume=0.119 peak=260 ppm1=3.477 ppm2=7.277

assign ( resid 97 and name HA
	 )
       ( resid 98 and name HA
	 ) 3.8 0.8 1.8 volume=0.369 peak=525 ppm1=4.317 ppm2=3.923

assign ( resid 38 and name HA
	 )
       ( resid 42 and name HN
	 ) 4.0 0.8 0.8 volume=0.265 peak=169 ppm1=3.086 ppm2=7.208

assign ( resid 14 and name HB1
	 )
       ( resid 14 and name HG2
	 ) 3.4 0.7 0.7 volume=0.707 peak=253 ppm1=2.202 ppm2=2.543

assign ( resid 35 and name HA
	 )
       ( resid 12 and name HG2#
	 ) 4.6 0.9 0.9 volume=0.362 peak=10 ppm1=3.805 ppm2=1.116

assign ( resid 46 and name HD2
	 )
       ( resid 43 and name HA
	 ) 3.2 0.6 1.9 volume=1.046 peak=361 ppm1=3.366 ppm2=4.248

assign ( resid 69 and name HG1
	 )
       ( resid 69 and name HN
	 ) 3.8 0.8 0.8 volume=0.382 peak=422 ppm1=0.310 ppm2=7.949

assign ( resid 80 and name HB1
	 )
       ( resid 80 and name HN
	 ) 3.2 0.6 0.6 volume=0.913 peak=491 ppm1=2.982 ppm2=7.280

assign ( resid 90 and name HD1#
	 )
       ( resid 52 and name HA
	 ) 4.7 1.9 0.9 volume=0.296 peak=124 ppm1=0.019 ppm2=4.697

assign ( resid 86 and name HG11
	 )
       ( resid 86 and name HG2#
	 ) 4.7 2.9 0.9 volume=0.313 peak=514 ppm1=1.423 ppm2=-0.489

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HG1#
	 ) 4.1 2.8 0.8 volume=2.010 peak=87 ppm1=1.130 ppm2=0.652

assign ( resid 77 and name HA
	 )
       ( resid 80 and name HN
	 ) 3.3 0.7 0.7 volume=0.792 peak=336 ppm1=3.915 ppm2=7.276

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HN
	 ) 3.1 0.6 0.6 volume=1.231 peak=372 ppm1=1.978 ppm2=7.695

assign ( resid 75 and name HA
	 )
       ( resid 77 and name HG2#
	 ) 4.4 0.9 0.9 volume=0.469 peak=170 ppm1=4.435 ppm2=1.139

assign ( resid 35 and name HA
	 )
       ( resid 12 and name HG1#
	 ) 4.6 0.9 0.9 volume=0.335 peak=102 ppm1=3.795 ppm2=0.587

assign ( resid 85 and name HG
	 )
       ( resid 85 and name HN
	 ) 3.4 0.7 0.7 volume=0.706 peak=313 ppm1=1.741 ppm2=7.752

assign ( resid 89 and name HA
	 )
       ( resid 88 and name HN
	 ) 3.3 0.7 1.7 volume=0.837 peak=467 ppm1=3.912 ppm2=7.710

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HG2#
	 ) 4.3 0.9 0.9 volume=0.505 peak=195 ppm1=3.966 ppm2=1.130

assign ( resid 26 and name HB
	 )
       ( resid 26 and name HG2#
	 ) 3.6 1.7 0.7 volume=1.549 peak=393 ppm1=1.819 ppm2=0.724

assign ( resid 95 and name HB
	 )
       ( resid 90 and name HA
	 ) 3.9 0.8 1.8 volume=0.323 peak=508 ppm1=2.068 ppm2=3.254

assign ( resid 76 and name HD2
	 )
       ( resid 75 and name HG2#
	 ) 5.0 3.0 1.0 volume=0.204 peak=547 ppm1=2.723 ppm2=0.514

assign ( resid 102 and name HB#
	 )
       ( resid 99 and name HA
	 ) 3.9 1.8 0.8 volume=0.983 peak=333 ppm1=1.308 ppm2=3.445

assign ( resid 89 and name HB2
	 )
       ( resid 85 and name HG
	 ) 2.9 0.6 0.6 volume=1.957 peak=483 ppm1=1.204 ppm2=1.748

assign ( resid 101 and name HA
	 )
       ( resid 104 and name HB#
	 ) 3.3 0.7 0.7 volume=2.679 peak=92 ppm1=4.221 ppm2=1.430

assign ( resid 72 and name HG1
	 )
       ( resid 72 and name HB1
	 ) 2.6 0.5 0.5 volume=3.472 peak=428 ppm1=2.033 ppm2=2.414

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HN
	 ) 3.7 0.7 0.7 volume=0.423 peak=233 ppm1=3.085 ppm2=8.431

assign ( resid 50 and name HA
	 )
       ( resid 48 and name HG1
	 ) 3.9 0.8 1.6 volume=0.289 peak=487 ppm1=4.256 ppm2=2.570

assign ( resid 31 and name HA
	 )
       ( resid 31 and name HD1#
	 ) 3.9 0.8 0.8 volume=0.876 peak=553 ppm1=3.485 ppm2=0.574

assign ( resid 90 and name HD1#
	 )
       ( resid 52 and name HN
	 ) 4.8 1.0 1.0 volume=0.264 peak=432 ppm1=0.023 ppm2=7.170

assign ( resid 116 and name HA
	 )
       ( resid 116 and name HN
	 ) 3.6 0.7 0.7 volume=0.535 peak=294 ppm1=4.233 ppm2=8.074

assign ( resid 51 and name HD1#
	 )
       ( resid 86 and name HD1#
	 ) 3.8 0.8 0.8 volume=3.438 peak=115 ppm1=0.619 ppm2=0.868

assign ( resid 21 and name HA
	 )
       ( resid 23 and name HN
	 ) 3.5 0.7 0.7 volume=0.636 peak=248 ppm1=4.118 ppm2=7.835

assign ( resid 53 and name HA
	 )
       ( resid 53 and name HG11
	 ) 3.4 0.7 0.7 volume=0.665 peak=519 ppm1=4.147 ppm2=1.575

assign ( resid 51 and name HB
	 )
       ( resid 51 and name HA
	 ) 4.1 1.8 0.8 volume=0.238 peak=185 ppm1=1.998 ppm2=4.091

assign ( resid 86 and name HA
	 )
       ( resid 89 and name HD1#
	 ) 4.4 0.9 0.9 volume=0.428 peak=94 ppm1=3.464 ppm2=0.610

assign ( resid 90 and name HG2#
	 )
       ( resid 90 and name HG11
	 ) 3.6 0.7 1.7 volume=1.554 peak=536 ppm1=0.612 ppm2=1.289

assign ( resid 9 and name HA
	 )
       ( resid 10 and name HN
	 ) 3.4 0.7 0.7 volume=0.727 peak=431 ppm1=3.968 ppm2=8.921

assign ( resid 35 and name HB1
	 )
       ( resid 36 and name HN
	 ) 4.1 1.8 0.8 volume=0.237 peak=251 ppm1=2.880 ppm2=8.312

assign ( resid 97 and name HA
	 )
       ( resid 99 and name HN
	 ) 3.9 0.8 0.8 volume=0.314 peak=434 ppm1=4.321 ppm2=7.920

assign ( resid 26 and name HB
	 )
       ( resid 27 and name HN
	 ) 4.1 0.8 0.8 volume=0.236 peak=341 ppm1=1.835 ppm2=8.637

assign ( resid 77 and name HA
	 )
       ( resid 79 and name HN
	 ) 4.1 0.8 0.8 volume=0.211 peak=373 ppm1=3.916 ppm2=7.827

assign ( resid 117 and name HB2
	 )
       ( resid 110 and name HB2
	 ) 3.9 0.8 0.8 volume=0.307 peak=177 ppm1=2.703 ppm2=1.598

assign ( resid 51 and name HB
	 )
       ( resid 86 and name HD1#
	 ) 4.1 0.8 1.8 volume=0.644 peak=237 ppm1=1.978 ppm2=0.880

assign ( resid 53 and name HD1#
	 )
       ( resid 83 and name HA
	 ) 4.3 0.9 0.9 volume=0.510 peak=139 ppm1=0.982 ppm2=4.426

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HG
	 ) 3.4 0.7 1.7 volume=0.743 peak=484 ppm1=3.735 ppm2=0.730

assign ( resid 53 and name HD1#
	 )
       ( resid 53 and name HG11
	 ) 3.0 0.6 0.6 volume=4.280 peak=259 ppm1=0.982 ppm2=1.564

assign ( resid 90 and name HG2#
	 )
       ( resid 90 and name HA
	 ) 3.6 1.7 0.7 volume=1.421 peak=255 ppm1=0.619 ppm2=4.131

assign ( resid 72 and name HD2
	 )
       ( resid 72 and name HG1
	 ) 2.8 0.6 0.6 volume=2.445 peak=127 ppm1=3.287 ppm2=2.070

assign ( resid 53 and name HA
	 )
       ( resid 51 and name HG2#
	 ) 4.4 0.9 0.9 volume=0.466 peak=438 ppm1=4.148 ppm2=0.595

assign ( resid 90 and name HB
	 )
       ( resid 53 and name HD1#
	 ) 5.0 3.0 1.0 volume=0.202 peak=59 ppm1=1.631 ppm2=0.951

assign ( resid 26 and name HB
	 )
       ( resid 26 and name HN
	 ) 3.6 0.7 0.7 volume=0.474 peak=478 ppm1=1.815 ppm2=7.557

assign ( resid 21 and name HG2#
	 )
       ( resid 19 and name HG
	 ) 5.2 1.0 1.0 volume=0.165 peak=516 ppm1=1.347 ppm2=0.757

assign ( resid 90 and name HG2#
	 )
       ( resid 53 and name HN
	 ) 4.4 0.9 0.9 volume=0.463 peak=357 ppm1=0.606 ppm2=8.787

assign ( resid 69 and name HB
	 )
       ( resid 69 and name HG1
	 ) 3.1 1.6 0.6 volume=1.294 peak=384 ppm1=3.601 ppm2=0.312

assign ( resid 90 and name HD1#
	 )
       ( resid 90 and name HB
	 ) 4.6 2.9 0.9 volume=0.344 peak=402 ppm1=0.017 ppm2=1.976

assign ( resid 97 and name HG2
	 )
       ( resid 97 and name HA
	 ) 3.5 0.7 1.7 volume=0.595 peak=262 ppm1=2.070 ppm2=4.316

assign ( resid 33 and name HA
	 )
       ( resid 33 and name HB2
	 ) 2.9 0.6 0.6 volume=1.872 peak=103 ppm1=4.214 ppm2=1.903

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HG1#
	 ) 3.6 1.7 0.7 volume=1.571 peak=550 ppm1=3.437 ppm2=0.848

assign ( resid 53 and name HD1#
	 )
       ( resid 52 and name HB1
	 ) 4.4 0.9 0.9 volume=0.428 peak=159 ppm1=0.987 ppm2=2.728

assign ( resid 12 and name HG2#
	 )
       ( resid 11 and name HA
	 ) 3.7 0.7 1.7 volume=1.357 peak=497 ppm1=1.131 ppm2=4.121

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HN
	 ) 3.6 0.7 0.7 volume=0.511 peak=474 ppm1=3.866 ppm2=7.958

assign ( resid 69 and name HB
	 )
       ( resid 70 and name HN
	 ) 3.6 0.7 0.7 volume=0.514 peak=309 ppm1=3.601 ppm2=8.587

assign ( resid 86 and name HG2#
	 )
       ( resid 86 and name HD1#
	 ) 4.0 2.8 0.8 volume=2.508 peak=353 ppm1=-0.496 ppm2=0.825

assign ( resid 50 and name HB
	 )
       ( resid 50 and name HN
	 ) 3.8 0.8 0.8 volume=0.381 peak=534 ppm1=3.503 ppm2=7.601

assign ( resid 97 and name HA
	 )
       ( resid 98 and name HN
	 ) 3.7 0.7 0.7 volume=0.428 peak=132 ppm1=4.320 ppm2=8.312

assign ( resid 102 and name HA
	 )
       ( resid 102 and name HN
	 ) 3.4 0.7 0.7 volume=0.744 peak=165 ppm1=4.004 ppm2=7.599

assign ( resid 90 and name HG12
	 )
       ( resid 89 and name HN
	 ) 4.7 0.9 0.9 volume=0.103 peak=107 ppm1=1.609 ppm2=7.459

assign ( resid 29 and name HA
	 )
       ( resid 32 and name HG
	 ) 3.4 0.7 0.7 volume=0.685 peak=421 ppm1=3.705 ppm2=0.816

assign ( resid 31 and name HA
	 )
       ( resid 31 and name HN
	 ) 3.9 0.8 0.8 volume=0.311 peak=228 ppm1=3.487 ppm2=7.532

assign ( resid 59 and name HG1#
	 )
       ( resid 59 and name HA
	 ) 3.8 0.8 0.8 volume=1.043 peak=93 ppm1=-0.418 ppm2=3.668

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HG2#
	 ) 4.4 2.9 0.9 volume=0.471 peak=446 ppm1=3.462 ppm2=-0.495

assign ( resid 97 and name HD1
	 )
       ( resid 97 and name HA
	 ) 3.8 0.8 0.8 volume=0.341 peak=136 ppm1=3.686 ppm2=4.295

assign ( resid 14 and name HB1
	 )
       ( resid 14 and name HA
	 ) 3.8 0.8 0.8 volume=0.339 peak=242 ppm1=2.205 ppm2=3.653

assign ( resid 26 and name HB
	 )
       ( resid 16 and name HG1
	 ) 4.2 0.8 0.8 volume=0.187 peak=420 ppm1=1.820 ppm2=1.402

assign ( resid 77 and name HG2#
	 )
       ( resid 77 and name HN
	 ) 3.4 0.7 0.7 volume=2.252 peak=34 ppm1=1.055 ppm2=8.603

assign ( resid 18 and name HA
	 )
       ( resid 19 and name HN
	 ) 3.6 0.7 0.7 volume=0.523 peak=11 ppm1=3.800 ppm2=8.109

assign ( resid 90 and name HG12
	 )
       ( resid 51 and name HG11
	 ) 3.8 0.8 0.8 volume=0.366 peak=202 ppm1=1.619 ppm2=1.340

assign ( resid 33 and name HA
	 )
       ( resid 37 and name HB2
	 ) 3.2 0.6 1.6 volume=0.944 peak=329 ppm1=4.216 ppm2=2.754

assign ( resid 77 and name HG2#
	 )
       ( resid 77 and name HA
	 ) 3.3 0.7 0.7 volume=2.520 peak=403 ppm1=1.053 ppm2=3.915

assign ( resid 39 and name HA
	 )
       ( resid 40 and name HN
	 ) 4.2 0.8 0.8 volume=0.184 peak=427 ppm1=3.469 ppm2=8.061

assign ( resid 51 and name HB
	 )
       ( resid 51 and name HD1#
	 ) 3.9 1.8 0.8 volume=0.891 peak=48 ppm1=1.984 ppm2=0.627

assign ( resid 15 and name HG
	 )
       ( resid 15 and name HA
	 ) 3.8 2.8 0.8 volume=0.376 peak=201 ppm1=0.718 ppm2=3.875

assign ( resid 86 and name HG2#
	 )
       ( resid 87 and name HA
	 ) 4.8 3.0 1.0 volume=0.253 peak=146 ppm1=-0.500 ppm2=3.215

assign ( resid 85 and name HG
	 )
       ( resid 85 and name HA
	 ) 3.3 0.7 0.7 volume=0.792 peak=147 ppm1=1.741 ppm2=4.076

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HB#
	 ) 3.4 1.7 0.7 volume=1.953 peak=210 ppm1=3.709 ppm2=1.243

assign ( resid 95 and name HB
	 )
       ( resid 90 and name HG2#
	 ) 4.3 0.9 0.9 volume=0.486 peak=282 ppm1=2.061 ppm2=0.642

assign ( resid 12 and name HG1#
	 )
       ( resid 12 and name HB
	 ) 3.4 1.7 0.7 volume=2.042 peak=114 ppm1=0.641 ppm2=2.072

assign ( resid 59 and name HB
	 )
       ( resid 59 and name HG1#
	 ) 4.3 2.9 0.9 volume=0.503 peak=518 ppm1=1.481 ppm2=-0.427

assign ( resid 38 and name HG1#
	 )
       ( resid 38 and name HG2#
	 ) 3.6 1.7 0.7 volume=4.297 peak=36 ppm1=0.508 ppm2=0.724

assign ( resid 39 and name HG2
	 )
       ( resid 39 and name HE1
	 ) 2.9 0.6 0.6 volume=1.685 peak=510 ppm1=1.383 ppm2=2.953

assign ( resid 110 and name HA
	 )
       ( resid 111 and name HN
	 ) 3.4 0.7 0.7 volume=0.647 peak=476 ppm1=4.285 ppm2=8.211

assign ( resid 109 and name HB
	 )
       ( resid 109 and name HG2#
	 ) 4.9 3.0 1.0 volume=0.246 peak=320 ppm1=1.806 ppm2=0.847

assign ( resid 110 and name HG
	 )
       ( resid 109 and name HG11
	 ) 3.0 0.6 0.6 volume=1.344 peak=204 ppm1=1.453 ppm2=1.086

assign ( resid 59 and name HG1#
	 )
       ( resid 38 and name HA
	 ) 4.6 0.9 0.9 volume=0.350 peak=25 ppm1=-0.418 ppm2=3.117

assign ( resid 51 and name HD1#
	 )
       ( resid 52 and name HN
	 ) 3.9 0.8 0.8 volume=0.960 peak=490 ppm1=0.626 ppm2=7.164

assign ( resid 38 and name HG2#
	 )
       ( resid 38 and name HG1#
	 ) 4.3 2.9 0.9 volume=1.447 peak=405 ppm1=0.692 ppm2=0.489

assign ( resid 87 and name HA
	 )
       ( resid 87 and name HN
	 ) 3.7 0.7 0.7 volume=0.441 peak=410 ppm1=3.225 ppm2=7.861

assign ( resid 102 and name HB#
	 )
       ( resid 99 and name HB
	 ) 3.6 0.7 1.7 volume=1.405 peak=447 ppm1=1.305 ppm2=2.170

assign ( resid 85 and name HB1
	 )
       ( resid 89 and name HB2
	 ) 3.0 0.6 2.6 volume=1.374 peak=232 ppm1=1.760 ppm2=1.217

assign ( resid 72 and name HG1
	 )
       ( resid 75 and name HA
	 ) 3.3 0.7 1.7 volume=0.791 peak=176 ppm1=2.027 ppm2=4.324

assign ( resid 53 and name HG2#
	 )
       ( resid 87 and name HA
	 ) 4.2 0.8 0.8 volume=0.625 peak=412 ppm1=1.055 ppm2=3.318

assign ( resid 77 and name HB
	 )
       ( resid 77 and name HN
	 ) 3.2 0.6 0.6 volume=1.078 peak=120 ppm1=2.217 ppm2=8.588

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HB
	 ) 3.9 0.8 0.8 volume=0.304 peak=376 ppm1=3.463 ppm2=1.973

assign ( resid 74 and name HB1
	 )
       ( resid 74 and name HN
	 ) 3.5 0.7 0.7 volume=0.599 peak=49 ppm1=1.606 ppm2=7.495

assign ( resid 21 and name HG2#
	 )
       ( resid 21 and name HB
	 ) 3.2 1.6 0.6 volume=2.803 peak=46 ppm1=1.357 ppm2=4.192

assign ( resid 15 and name HD1#
	 )
       ( resid 14 and name HB1
	 ) 5.1 1.0 1.0 volume=0.191 peak=217 ppm1=0.342 ppm2=2.103

assign ( resid 14 and name HB1
	 )
       ( resid 11 and name HA
	 ) 3.1 0.6 1.6 volume=1.184 peak=172 ppm1=2.189 ppm2=4.181

assign ( resid 59 and name HB
	 )
       ( resid 59 and name HG2#
	 ) 4.2 2.8 0.8 volume=0.591 peak=126 ppm1=1.483 ppm2=0.441

assign ( resid 15 and name HG
	 )
       ( resid 11 and name HA
	 ) 4.2 0.8 1.8 volume=0.185 peak=131 ppm1=0.711 ppm2=4.194

assign ( resid 95 and name HB
	 )
       ( resid 98 and name HG2
	 ) 2.6 0.5 1.5 volume=3.663 peak=529 ppm1=2.068 ppm2=2.455

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name HG1
	 ) 2.6 0.5 0.5 volume=3.612 peak=27 ppm1=1.767 ppm2=1.366

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HN
	 ) 3.7 0.7 0.7 volume=0.420 peak=292 ppm1=3.107 ppm2=8.079

assign ( resid 118 and name HB2
	 )
       ( resid 118 and name HG
	 ) 3.1 0.6 0.6 volume=1.144 peak=193 ppm1=1.576 ppm2=0.805

assign ( resid 90 and name HG12
	 )
       ( resid 90 and name HA
	 ) 3.9 2.8 0.8 volume=0.319 peak=154 ppm1=1.620 ppm2=3.291

assign ( resid 59 and name HA
	 )
       ( resid 58 and name HA
	 ) 4.6 0.9 0.9 volume=0.108 peak=256 ppm1=3.673 ppm2=4.189

assign ( resid 78 and name HB
	 )
       ( resid 78 and name HN
	 ) 4.3 0.9 0.9 volume=0.168 peak=288 ppm1=3.869 ppm2=7.377

assign ( resid 110 and name HG
	 )
       ( resid 108 and name HB1
	 ) 2.8 0.6 0.6 volume=2.296 peak=31 ppm1=1.464 ppm2=1.868

assign ( resid 69 and name HB
	 )
       ( resid 69 and name HN
	 ) 3.4 0.7 0.7 volume=0.709 peak=246 ppm1=3.596 ppm2=7.951

assign ( resid 59 and name HA
	 )
       ( resid 59 and name HN
	 ) 3.7 0.7 0.7 volume=0.421 peak=198 ppm1=3.674 ppm2=7.830

assign ( resid 102 and name HB#
	 )
       ( resid 102 and name HA
	 ) 3.4 1.7 0.7 volume=2.239 peak=71 ppm1=1.304 ppm2=3.999

assign ( resid 29 and name HA
	 )
       ( resid 30 and name HN
	 ) 3.8 0.8 0.8 volume=0.352 peak=44 ppm1=3.711 ppm2=6.934

assign ( resid 31 and name HG
	 )
       ( resid 30 and name HA
	 ) 4.1 0.8 1.8 volume=0.232 peak=396 ppm1=0.603 ppm2=4.381

assign ( resid 51 and name HD1#
	 )
       ( resid 90 and name HB
	 ) 3.4 0.7 1.7 volume=1.979 peak=64 ppm1=0.622 ppm2=1.956

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HN
	 ) 3.9 1.8 0.8 volume=0.283 peak=258 ppm1=3.463 ppm2=7.939

assign ( resid 47 and name HA
	 )
       ( resid 48 and name HN
	 ) 3.2 0.6 0.6 volume=1.070 peak=319 ppm1=3.936 ppm2=7.682

assign ( resid 76 and name HD2
	 )
       ( resid 78 and name HG2#
	 ) 5.3 1.1 1.1 volume=0.142 peak=533 ppm1=2.722 ppm2=1.103

assign ( resid 97 and name HD1
	 )
       ( resid 96 and name HN
	 ) 4.3 0.9 0.9 volume=0.181 peak=517 ppm1=3.674 ppm2=7.516

assign ( resid 53 and name HG2#
	 )
       ( resid 53 and name HG11
	 ) 3.1 0.6 0.6 volume=3.671 peak=38 ppm1=1.054 ppm2=1.565

assign ( resid 77 and name HB
	 )
       ( resid 77 and name HG2#
	 ) 3.4 1.7 0.7 volume=2.173 peak=241 ppm1=2.213 ppm2=1.060

assign ( resid 89 and name HD1#
	 )
       ( resid 89 and name HA
	 ) 3.4 1.7 0.7 volume=2.225 peak=394 ppm1=0.619 ppm2=3.893

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HN
	 ) 3.8 0.8 0.8 volume=0.338 peak=385 ppm1=3.963 ppm2=8.164

assign ( resid 5 and name HG
	 )
       ( resid 5 and name HA
	 ) 3.7 1.7 0.7 volume=0.441 peak=377 ppm1=1.011 ppm2=3.731

assign ( resid 53 and name HD1#
	 )
       ( resid 90 and name HA
	 ) 3.8 0.8 1.8 volume=1.091 peak=223 ppm1=0.982 ppm2=3.279

assign ( resid 102 and name HA
	 )
       ( resid 103 and name HG2#
	 ) 3.6 0.7 1.7 volume=1.605 peak=79 ppm1=4.001 ppm2=0.809

assign ( resid 111 and name HB1
	 )
       ( resid 108 and name HN
	 ) 3.1 0.6 0.6 volume=1.149 peak=383 ppm1=1.778 ppm2=8.361

assign ( resid 51 and name HD1#
	 )
       ( resid 51 and name HB
	 ) 3.8 1.8 0.8 volume=1.013 peak=18 ppm1=0.620 ppm2=1.970

assign ( resid 51 and name HD1#
	 )
       ( resid 89 and name HB2
	 ) 3.5 0.7 0.7 volume=1.858 peak=537 ppm1=0.624 ppm2=1.200

assign ( resid 53 and name HG11
	 )
       ( resid 53 and name HA
	 ) 3.3 0.7 0.7 volume=0.816 peak=26 ppm1=1.563 ppm2=4.141

assign ( resid 53 and name HG11
	 )
       ( resid 53 and name HN
	 ) 3.6 0.7 0.7 volume=0.497 peak=285 ppm1=1.564 ppm2=8.781

assign ( resid 19 and name HD2#
	 )
       ( resid 19 and name HA
	 ) 3.3 1.7 0.7 volume=2.556 peak=58 ppm1=0.634 ppm2=3.802

#assign ( resid 18 and name HA
#	 )
#       ( resid 19 and name HB2
#	 ) 3.8 0.8 1.8 volume=0.373 peak=279 ppm1=3.796 ppm2=1.789

assign ( resid 89 and name HB2
	 )
       ( resid 86 and name HG11
	 ) 3.8 0.8 0.8 volume=0.341 peak=293 ppm1=1.201 ppm2=1.492

assign ( resid 89 and name HB2
	 )
       ( resid 89 and name HG
	 ) 3.1 0.6 0.6 volume=1.147 peak=503 ppm1=1.204 ppm2=0.636

assign ( resid 72 and name HD2
	 )
       ( resid 75 and name HG2#
	 ) 4.8 1.0 1.0 volume=0.261 peak=78 ppm1=3.274 ppm2=0.512


assign ( resid 76 and name HD2
	 )
       ( resid 76 and name HB1
	 ) 4.3 0.9 0.9 volume=0.182 peak=35 ppm1=2.722 ppm2=2.235

assign ( resid 19 and name HA
	 )
       ( resid 18 and name HB#
	 ) 3.9 0.8 0.8 volume=0.862 peak=14 ppm1=3.782 ppm2=1.431

assign ( resid 61 and name HB2
	 )
       ( resid 61 and name HA
	 ) 3.1 0.6 0.6 volume=1.186 peak=19 ppm1=2.685 ppm2=4.258

assign ( resid 31 and name HA
	 )
       ( resid 12 and name HG2#
	 ) 4.6 0.9 0.9 volume=0.341 peak=12 ppm1=3.483 ppm2=1.086

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HN
	 ) 3.5 0.7 0.7 volume=0.623 peak=5 ppm1=4.002 ppm2=7.817

assign ( resid 21 and name HB
	 )
       ( resid 23 and name HN
	 ) 3.6 0.7 1.7 volume=0.517 peak=167 ppm1=4.221 ppm2=7.822

assign ( resid 90 and name HG2#
	 )
       ( resid 90 and name HG12
	 ) 3.3 0.7 0.7 volume=2.710 peak=268 ppm1=0.604 ppm2=1.617

assign ( resid 89 and name HA
	 )
       ( resid 89 and name HN
	 ) 3.4 0.7 0.7 volume=0.717 peak=247 ppm1=3.910 ppm2=7.451

assign ( resid 59 and name HG2#
	 )
       ( resid 38 and name HG2#
	 ) 4.5 0.9 0.9 volume=1.132 peak=453 ppm1=0.439 ppm2=0.711

assign ( resid 31 and name HD1#
	 )
       ( resid 32 and name HG
	 ) 3.0 0.6 1.6 volume=4.455 peak=380 ppm1=0.554 ppm2=0.792

assign ( resid 12 and name HG1#
	 )
       ( resid 12 and name HG2#
	 ) 4.0 2.8 0.8 volume=2.469 peak=471 ppm1=0.640 ppm2=1.122

#assign ( resid 53 and name HD1#
	 )
       ( resid 51 and name HG11
	 ) 3.8 0.8 1.8 volume=1.009 peak=535 ppm1=0.977 ppm2=1.266

assign ( resid 14 and name HG2
	 )
       ( resid 11 and name HA
	 ) 4.3 0.9 0.9 volume=0.167 peak=461 ppm1=2.559 ppm2=4.213

assign ( resid 50 and name HB
	 )
       ( resid 50 and name HG2#
	 ) 3.9 2.8 0.8 volume=0.850 peak=122 ppm1=3.506 ppm2=1.048

assign ( resid 16 and name HB2
	 )
       ( resid 26 and name HG1#
	 ) 4.2 0.8 0.8 volume=0.616 peak=43 ppm1=1.716 ppm2=0.787

assign ( resid 78 and name HG2#
	 )
       ( resid 78 and name HA
	 ) 3.1 0.6 0.6 volume=3.857 peak=299 ppm1=1.124 ppm2=3.902

assign ( resid 59 and name HG2#
	 )
       ( resid 59 and name HG1#
	 ) 4.2 2.8 0.8 volume=1.700 peak=197 ppm1=0.441 ppm2=-0.409

assign ( resid 98 and name HA
	 )
       ( resid 99 and name HG2#
	 ) 4.1 0.8 0.8 volume=0.699 peak=209 ppm1=3.954 ppm2=0.793

assign ( resid 89 and name HA
	 )
       ( resid 85 and name HG
	 ) 3.0 0.6 2.6 volume=1.524 peak=301 ppm1=3.907 ppm2=1.768

assign ( resid 97 and name HD1
	 )
       ( resid 97 and name HB1
	 ) 3.8 0.8 0.8 volume=0.347 peak=509 ppm1=3.677 ppm2=2.406

assign ( resid 89 and name HB2
	 )
       ( resid 89 and name HA
	 ) 3.6 1.7 0.7 volume=0.515 peak=227 ppm1=1.203 ppm2=3.910

assign ( resid 111 and name HG1
	 )
       ( resid 115 and name HB2
	 ) 3.2 0.6 1.6 volume=0.947 peak=349 ppm1=1.355 ppm2=2.090

assign ( resid 90 and name HG12
	 )
       ( resid 90 and name HB
	 ) 2.9 0.6 0.6 volume=1.807 peak=184 ppm1=1.625 ppm2=2.026

assign ( resid 69 and name HG1
	 )
       ( resid 69 and name HA
	 ) 3.0 0.6 0.6 volume=1.600 peak=57 ppm1=0.312 ppm2=3.868

assign ( resid 88 and name HB1
	 )
       ( resid 85 and name HA
	 ) 2.6 0.5 1.5 volume=3.220 peak=37 ppm1=1.992 ppm2=4.053

assign ( resid 85 and name HG
	 )
       ( resid 86 and name HD1#
	 ) 3.6 0.7 1.7 volume=1.507 peak=263 ppm1=1.742 ppm2=0.807

assign ( resid 5 and name HA
	 )
       ( resid 6 and name HN
	 ) 4.1 0.8 0.8 volume=0.233 peak=512 ppm1=3.709 ppm2=8.328

assign ( resid 39 and name HA
	 )
       ( resid 38 and name HG1#
	 ) 4.9 1.0 1.0 volume=0.227 peak=192 ppm1=3.470 ppm2=0.522

assign ( resid 32 and name HB2
	 )
       ( resid 32 and name HG
	 ) 3.2 0.6 0.6 volume=0.929 peak=151 ppm1=1.295 ppm2=0.810

assign ( resid 90 and name HD1#
	 )
       ( resid 51 and name HG11
	 ) 3.6 0.7 0.7 volume=1.519 peak=158 ppm1=0.017 ppm2=1.317

assign ( resid 86 and name HD1#
	 )
       ( resid 53 and name HG2#
	 ) 5.2 1.0 1.0 volume=0.495 peak=24 ppm1=0.809 ppm2=1.042

assign ( resid 53 and name HB
	 )
       ( resid 53 and name HD1#
	 ) 3.6 0.7 0.7 volume=1.541 peak=523 ppm1=1.934 ppm2=1.029

assign ( resid 38 and name HG1#
	 )
       ( resid 59 and name HB
	 ) 4.5 0.9 0.9 volume=0.377 peak=186 ppm1=0.510 ppm2=1.443

assign ( resid 76 and name HD2
	 )
       ( resid 75 and name HN
	 ) 5.0 1.0 1.0 volume=0.071 peak=130 ppm1=2.711 ppm2=7.365

assign ( resid 102 and name HB#
	 )
       ( resid 102 and name HN
	 ) 3.5 1.7 0.7 volume=1.704 peak=216 ppm1=1.304 ppm2=7.557

assign ( resid 75 and name HB
	 )
       ( resid 77 and name HA
	 ) 3.3 0.7 2.7 volume=0.783 peak=415 ppm1=2.164 ppm2=3.945

assign ( resid 53 and name HD1#
	 )
       ( resid 53 and name HA
	 ) 3.5 1.7 0.7 volume=1.899 peak=352 ppm1=0.981 ppm2=4.153

assign ( resid 50 and name HG2#
	 )
       ( resid 51 and name HA
	 ) 3.1 0.6 0.6 volume=3.655 peak=187 ppm1=1.141 ppm2=4.175

assign ( resid 86 and name HD1#
	 )
       ( resid 86 and name HB
	 ) 3.6 2.7 0.7 volume=1.546 peak=287 ppm1=0.810 ppm2=1.957

assign ( resid 86 and name HG2#
	 )
       ( resid 89 and name HN
	 ) 4.4 0.9 0.9 volume=0.466 peak=271 ppm1=-0.497 ppm2=7.426

assign ( resid 53 and name HG11
	 )
       ( resid 53 and name HD1#
	 ) 3.3 1.7 0.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013

assign ( resid 85 and name HG
	 )
       ( resid 89 and name HN
	 ) 3.3 0.7 1.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013

assign ( resid 45 and name HA
	 )
       ( resid 45 and name HN
	 ) 3.6 1.7 0.7 volume=0.471 peak=442 ppm1=4.035 ppm2=7.289

assign ( resid 86 and name HD1#
	 )
       ( resid 87 and name HN
	 ) 4.3 0.9 0.9 volume=0.497 peak=267 ppm1=0.813 ppm2=7.955

assign ( resid 18 and name HB#
	 )
       ( resid 19 and name HN
	 ) 3.3 0.7 0.7 volume=2.320 peak=354 ppm1=1.344 ppm2=8.128

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HB2
	 ) 3.5 0.7 0.7 volume=0.558 peak=83 ppm1=3.605 ppm2=1.326

assign ( resid 65 and name HB1
	 )
       ( resid 65 and name HA
	 ) 2.9 0.6 0.6 volume=1.866 peak=459 ppm1=2.797 ppm2=4.486

assign ( resid 118 and name HA
	 )
       ( resid 119 and name HN
	 ) 3.0 0.6 0.6 volume=1.523 peak=539 ppm1=4.148 ppm2=8.120

assign ( resid 116 and name HA
	 )
       ( resid 117 and name HN
	 ) 3.1 0.6 0.6 volume=1.125 peak=89 ppm1=4.225 ppm2=8.290

assign ( resid 64 and name HB1
	 )
       ( resid 64 and name HN
	 ) 3.0 0.6 0.6 volume=1.538 peak=116 ppm1=2.205 ppm2=8.243

assign ( resid 88 and name HB1
	 )
       ( resid 87 and name HB2
	 ) 3.3 0.7 2.7 volume=0.823 peak=496 ppm1=2.064 ppm2=0.824

assign ( resid 110 and name HG
	 )
       ( resid 110 and name HN
	 ) 3.5 1.7 0.7 volume=0.574 peak=140 ppm1=1.455 ppm2=8.171

assign ( resid 15 and name HG
	 )
       ( resid 86 and name HG11
	 ) 3.3 0.7 1.7 volume=0.818 peak=68 ppm1=0.726 ppm2=1.472

assign ( resid 84 and name HB2
	 )
       ( resid 84 and name HA
	 ) 3.3 0.7 0.7 volume=0.857 peak=33 ppm1=2.908 ppm2=4.244

assign ( resid 26 and name HB
	 )
       ( resid 26 and name HA
	 ) 3.5 1.7 0.7 volume=0.549 peak=143 ppm1=1.818 ppm2=4.153

assign ( resid 59 and name HG2#
	 )
       ( resid 60 and name HA1
	 ) 5.3 1.1 1.1 volume=0.146 peak=435 ppm1=0.447 ppm2=4.312

assign ( resid 77 and name HA
	 )
       ( resid 77 and name HN
	 ) 3.4 0.7 0.7 volume=0.689 peak=338 ppm1=3.915 ppm2=8.607

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HG1
	 ) 3.3 0.7 0.7 volume=0.851 peak=4 ppm1=3.737 ppm2=1.366

assign ( resid 89 and name HB2
	 )
       ( resid 86 and name HD1#
	 ) 4.3 0.9 0.9 volume=0.483 peak=245 ppm1=1.204 ppm2=0.868

assign ( resid 85 and name HB2
	 )
       ( resid 86 and name HA
	 ) 3.9 0.8 1.8 volume=0.296 peak=250 ppm1=1.757 ppm2=3.449

assign ( resid 102 and name HB#
	 )
       ( resid 103 and name HG2#
	 ) 4.3 0.9 0.9 volume=1.525 peak=234 ppm1=1.306 ppm2=0.862

assign ( resid 65 and name HB1
	 )
       ( resid 64 and name HA
	 ) 3.3 0.7 2.7 volume=0.910 peak=466 ppm1=2.804 ppm2=4.215

assign ( resid 90 and name HD1#
	 )
       ( resid 90 and name HG12
	 ) 3.7 1.7 0.7 volume=1.209 peak=97 ppm1=0.018 ppm2=1.611

assign ( resid 108 and name HG1
	 )
       ( resid 110 and name HN
	 ) 3.9 0.8 1.8 volume=0.294 peak=315 ppm1=2.156 ppm2=8.168

assign ( resid 77 and name HB
	 )
       ( resid 79 and name HB#
	 ) 3.8 0.8 1.8 volume=1.053 peak=463 ppm1=2.219 ppm2=0.909

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HA
	 ) 3.6 0.7 0.7 volume=0.479 peak=229 ppm1=2.126 ppm2=3.433

assign ( resid 18 and name HA
	 )
       ( resid 17 and name HN
	 ) 4.0 0.8 1.8 volume=0.255 peak=96 ppm1=3.801 ppm2=7.858

assign ( resid 72 and name HD2
	 )
       ( resid 75 and name HN
	 ) 4.0 0.8 1.8 volume=0.265 peak=500 ppm1=3.278 ppm2=7.335

assign ( resid 38 and name HG1#
	 )
       ( resid 59 and name HG1#
	 ) 5.1 2.0 1.0 volume=0.534 peak=162 ppm1=0.508 ppm2=-0.415

assign ( resid 16 and name HD1
	 )
       ( resid 31 and name HA
	 ) 3.2 0.6 2.0 volume=0.988 peak=211 ppm1=1.700 ppm2=4.376

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HN
	 ) 3.7 1.7 0.7 volume=1.203 peak=109 ppm1=1.132 ppm2=8.087

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HA
	 ) 3.2 0.6 0.6 volume=1.061 peak=174 ppm1=2.101 ppm2=4.315

assign ( resid 112 and name HA
	 )
       ( resid 111 and name HN
	 ) 3.3 0.7 1.7 volume=0.888 peak=386 ppm1=4.393 ppm2=8.226

assign ( resid 21 and name HA
	 )
       ( resid 21 and name HG2#
	 ) 3.7 0.7 0.7 volume=1.256 peak=199 ppm1=4.115 ppm2=1.359

assign ( resid 31 and name HA
	 )
       ( resid 32 and name HG
	 ) 3.9 0.8 2.0 volume=0.286 peak=218 ppm1=3.485 ppm2=0.825

assign ( resid 75 and name HG2#
	 )
       ( resid 67 and name HB2
	 ) 3.7 0.7 2.7 volume=1.299 peak=224 ppm1=0.509 ppm2=3.353

assign ( resid 79 and name HB#
	 )
       ( resid 79 and name HA
	 ) 3.4 2.7 0.7 volume=1.928 peak=265 ppm1=0.796 ppm2=3.992

assign ( resid 89 and name HB2
	 )
       ( resid 89 and name HN
	 ) 3.8 2.8 0.8 volume=0.341 peak=448 ppm1=1.204 ppm2=7.451

assign ( resid 46 and name HA
	 )
       ( resid 46 and name HG1
	 ) 3.2 2.6 0.6 volume=1.033 peak=312 ppm1=4.011 ppm2=2.043

assign ( resid 46 and name HD2
	 )
       ( resid 45 and name HN
	 ) 3.8 1.8 0.8 volume=0.331 peak=61 ppm1=3.367 ppm2=7.296

assign ( resid 59 and name HA
	 )
       ( resid 60 and name HN
	 ) 4.0 0.8 0.8 volume=0.245 peak=423 ppm1=3.670 ppm2=7.559

assign ( resid 87 and name HA
	 )
       ( resid 87 and name HG2
	 ) 3.6 0.7 0.7 volume=0.528 peak=161 ppm1=3.221 ppm2=1.741

assign ( resid 89 and name HA
	 )
       ( resid 88 and name HB1
	 ) 2.7 0.5 2.5 volume=2.973 peak=513 ppm1=3.913 ppm2=2.074

assign ( resid 29 and name HB#
	 )
       ( resid 29 and name HA
	 ) 3.2 1.6 0.6 volume=2.986 peak=340 ppm1=1.231 ppm2=3.713

assign ( resid 86 and name HG11
	 )
       ( resid 86 and name HN
	 ) 3.8 0.8 0.8 volume=0.330 peak=119 ppm1=1.421 ppm2=7.932

assign ( resid 15 and name HD1#
	 )
       ( resid 86 and name HG11
	 ) 4.0 0.8 0.8 volume=0.838 peak=280 ppm1=0.342 ppm2=1.483

assign ( resid 90 and name HG2#
	 )
       ( resid 90 and name HD1#
	 ) 4.0 2.8 0.8 volume=2.323 peak=254 ppm1=0.609 ppm2=0.025

assign ( resid 68 and name HA
	 )
       ( resid 70 and name HN
	 ) 3.1 0.6 1.6 volume=1.173 peak=454 ppm1=4.410 ppm2=8.673

assign ( resid 72 and name HD2
	 )
       ( resid 68 and name HA
	 ) 3.0 0.6 0.6 volume=1.393 peak=244 ppm1=3.278 ppm2=4.364

assign ( resid 53 and name HB
	 )
       ( resid 53 and name HN
	 ) 3.2 0.6 0.6 volume=0.916 peak=99 ppm1=1.934 ppm2=8.764

assign ( resid 19 and name HG
	 )
       ( resid 85 and name HG
	 ) 2.7 2.5 2.5 volume=2.938 peak=77 ppm1=0.740 ppm2=1.847

assign ( resid 86 and name HG2#
	 )
       ( resid 86 and name HB
	 ) 3.5 1.7 0.7 volume=1.807 peak=42 ppm1=-0.495 ppm2=1.952

#assign ( resid 74 and name HB1
	 )
       ( resid 73 and name HA
	 ) 3.9 0.8 1.8 volume=0.329 peak=231 ppm1=1.592 ppm2=4.120

assign ( resid 86 and name HD1#
	 )
       ( resid 89 and name HD1#
	 ) 4.0 0.8 1.8 volume=2.319 peak=215 ppm1=0.810 ppm2=0.595

assign ( resid 35 and name HB1
	 )
       ( resid 33 and name HN
	 ) 4.3 0.9 0.9 volume=0.168 peak=111 ppm1=2.879 ppm2=7.240

assign ( resid 53 and name HB
	 )
       ( resid 53 and name HG11
	 ) 3.2 0.6 0.6 volume=1.069 peak=300 ppm1=1.935 ppm2=1.548

assign ( resid 77 and name HA
	 )
       ( resid 77 and name HB
	 ) 3.1 0.6 0.6 volume=1.225 peak=22 ppm1=3.916 ppm2=2.218

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HN
	 ) 3.7 0.7 0.7 volume=0.427 peak=54 ppm1=3.473 ppm2=7.587

assign ( resid 79 and name HA
	 )
       ( resid 82 and name HB2
	 ) 3.7 0.7 0.7 volume=0.400 peak=391 ppm1=4.010 ppm2=1.590

assign ( resid 14 and name HB1
	 )
       ( resid 11 and name HB1
	 ) 4.0 0.8 1.8 volume=0.245 peak=29 ppm1=2.177 ppm2=2.986

assign ( resid 76 and name HD2
	 )
       ( resid 79 and name HB2
	 ) 4.1 0.8 1.8 volume=0.234 peak=308 ppm1=2.722 ppm2=0.797

assign ( resid 66 and name HB2
	 )
       ( resid 65 and name HA
	 ) 3.4 0.7 2.7 volume=0.683 peak=133 ppm1=3.287 ppm2=4.427

assign ( resid 77 and name HA
	 )
       ( resid 77 and name HG2#
	 ) 3.6 1.7 0.7 volume=1.516 peak=6 ppm1=3.916 ppm2=1.065

assign ( resid 19 and name HB1
	 )
       ( resid 20 and name HN
	 ) 3.8 0.8 0.8 volume=0.377 peak=3 ppm1=1.724 ppm2=8.361

assign ( resid 43 and name HD1
	 )
       ( resid 43 and name HG2
	 ) 2.9 0.6 0.6 volume=1.843 peak=358 ppm1=3.891 ppm2=2.042

assign ( resid 26 and name HG2#
	 )
       ( resid 26 and name HB
	 ) 3.2 1.6 0.6 volume=3.296 peak=532 ppm1=0.689 ppm2=1.832

assign ( resid 90 and name HD1#
	 )
       ( resid 86 and name HG2#
	 ) 4.4 0.9 0.9 volume=1.255 peak=452 ppm1=0.020 ppm2=-0.485

assign ( resid 53 and name HG11
	 )
       ( resid 52 and name HA
	 ) 3.6 0.7 1.7 volume=0.496 peak=408 ppm1=1.532 ppm2=4.692

assign ( resid 75 and name HB
	 )
       ( resid 72 and name HG2
	 ) 3.0 0.6 2.5 volume=1.587 peak=433 ppm1=2.165 ppm2=1.955

assign ( resid 89 and name HG
	 )
       ( resid 85 and name HG
	 ) 2.7 0.5 2.5 volume=3.068 peak=359 ppm1=0.635 ppm2=1.746

assign ( resid 72 and name HD2
	 )
       ( resid 71 and name HN
	 ) 4.3 1.9 0.9 volume=0.181 peak=456 ppm1=3.284 ppm2=7.904

assign ( resid 88 and name HB1
	 )
       ( resid 87 and name HG2
	 ) 2.7 0.5 0.5 volume=2.557 peak=47 ppm1=2.060 ppm2=1.716

assign ( resid 45 and name HA
	 )
       ( resid 50 and name HG2#
	 ) 4.3 0.9 0.9 volume=0.476 peak=495 ppm1=4.052 ppm2=1.157

assign ( resid 77 and name HG2#
	 )
       ( resid 76 and name HD2
	 ) 4.0 0.8 1.8 volume=0.732 peak=505 ppm1=1.054 ppm2=2.734

assign ( resid 86 and name HB
	 )
       ( resid 86 and name HG2#
	 ) 5.5 4.1 1.1 volume=0.120 peak=252 ppm1=1.995 ppm2=-0.459

assign ( resid 67 and name HB2
	 )
       ( resid 64 and name HB2
	 ) 4.5 0.9 1.9 volume=0.123 peak=404 ppm1=3.284 ppm2=2.214

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HD1#
	 ) 5.0 4.0 1.0 volume=0.201 peak=45 ppm1=3.361 ppm2=0.096

assign ( resid 119 and name HA
	 )
       ( resid 115 and name HB2
	 ) 3.3 0.7 0.7 volume=0.766 peak=80 ppm1=4.072 ppm2=2.118

assign ( resid 85 and name HG
	 )
       ( resid 88 and name HG1
	 ) 3.5 0.7 0.7 volume=0.574 peak=20 ppm1=1.734 ppm2=2.224

assign ( resid 86 and name HB
	 )
       ( resid 83 and name HA
	 ) 3.6 0.7 0.7 volume=0.486 peak=501 ppm1=1.983 ppm2=4.402

assign ( resid 108 and name HB1
	 )
       ( resid 109 and name HN
	 ) 3.0 0.6 1.6 volume=1.343 peak=531 ppm1=1.827 ppm2=8.146

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HA
	 ) 3.7 2.7 0.7 volume=1.292 peak=343 ppm1=0.340 ppm2=3.876

assign ( resid 67 and name HB2
	 )
       ( resid 75 and name HG2#
	 ) 5.2 1.0 1.0 volume=0.165 peak=417 ppm1=3.274 ppm2=0.530

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HN
	 ) 3.6 0.7 0.7 volume=0.457 peak=356 ppm1=3.436 ppm2=7.896

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HB#
	 ) 3.5 2.7 0.7 volume=1.800 peak=141 ppm1=3.799 ppm2=1.348

assign ( resid 92 and name HB1
	 )
       ( resid 95 and name HG1#
	 ) 3.6 0.7 1.7 volume=1.609 peak=424 ppm1=1.934 ppm2=0.833

assign ( resid 86 and name HG2#
	 )
       ( resid 90 and name HB
	 ) 4.4 0.9 0.9 volume=0.418 peak=52 ppm1=-0.495 ppm2=1.687

assign ( resid 43 and name HB1
	 )
       ( resid 45 and name HN
	 ) 4.4 0.9 0.9 volume=0.151 peak=17 ppm1=2.435 ppm2=7.311

assign ( resid 88 and name HA
	 )
       ( resid 88 and name HB1
	 ) 2.6 0.5 0.5 volume=3.502 peak=481 ppm1=3.860 ppm2=2.022

assign ( resid 32 and name HB2
	 )
       ( resid 34 and name HN
	 ) 3.9 0.8 0.8 volume=0.313 peak=511 ppm1=1.302 ppm2=7.850

assign ( resid 101 and name HB#
	 )
       ( resid 47 and name HB2
	 ) 3.9 0.8 1.8 volume=0.945 peak=411 ppm1=1.409 ppm2=2.144

assign ( resid 72 and name HD2
	 )
       ( resid 72 and name HB1
	 ) 3.5 0.7 1.7 volume=0.633 peak=7 ppm1=3.288 ppm2=2.436

assign ( resid 25 and name HA
	 )
       ( resid 26 and name HN
	 ) 2.9 0.6 0.6 volume=1.946 peak=208 ppm1=4.339 ppm2=7.548

assign ( resid 86 and name HA
	 )
       ( resid 89 and name HB2
	 ) 4.2 2.8 0.8 volume=0.184 peak=437 ppm1=3.461 ppm2=1.263

# assign ( resid 74 and name HB1
	 )
       ( resid 73 and name HN
	 ) 4.1 0.8 0.8 volume=0.224 peak=504 ppm1=1.613 ppm2=8.613

assign ( resid 38 and name HB
	 )
       ( resid 38 and name HG2#
	 ) 4.2 2.8 0.8 volume=0.606 peak=108 ppm1=2.313 ppm2=0.705

assign ( resid 118 and name HA
	 )
       ( resid 118 and name HB2
	 ) 2.7 0.5 0.5 volume=2.882 peak=540 ppm1=4.158 ppm2=1.517

assign ( resid 38 and name HG2#
	 )
       ( resid 38 and name HN
	 ) 3.8 2.8 0.8 volume=1.020 peak=74 ppm1=0.695 ppm2=8.448

assign ( resid 77 and name HA
	 )
       ( resid 80 and name HB1
	 ) 4.3 0.9 0.9 volume=0.179 peak=541 ppm1=3.917 ppm2=2.989

assign ( resid 85 and name HA
	 )
       ( resid 86 and name HB
	 ) 2.5 0.5 3.0 volume=4.217 peak=322 ppm1=4.044 ppm2=2.002

assign ( resid 78 and name HB
	 )
       ( resid 79 and name HN
	 ) 4.5 0.9 0.9 volume=0.121 peak=455 ppm1=3.868 ppm2=7.804

assign ( resid 68 and name HA
	 )
       ( resid 68 and name HB1
	 ) 3.1 0.6 0.6 volume=1.218 peak=328 ppm1=4.379 ppm2=2.905

assign ( resid 75 and name HG2#
	 )
       ( resid 75 and name HB
	 ) 3.3 1.7 0.7 volume=2.533 peak=548 ppm1=0.508 ppm2=2.233

assign ( resid 90 and name HD1#
	 )
       ( resid 51 and name HD1#
	 ) 3.7 0.7 0.7 volume=3.693 peak=135 ppm1=0.018 ppm2=0.613

assign ( resid 59 and name HG2#
	 )
       ( resid 58 and name HB1
	 ) 4.7 0.9 0.9 volume=0.313 peak=468 ppm1=0.439 ppm2=2.179

assign ( resid 12 and name HG2#
	 )
       ( resid 9 and name HA
	 ) 3.8 0.8 0.8 volume=1.056 peak=50 ppm1=1.126 ppm2=3.884

assign ( resid 73 and name HB1
	 )
       ( resid 74 and name HN
	 ) 2.9 0.6 0.6 volume=1.782 peak=464 ppm1=1.987 ppm2=7.505

assign ( resid 101 and name HA
	 )
       ( resid 103 and name HB
	 ) 3.3 0.7 1.7 volume=0.785 peak=182 ppm1=4.204 ppm2=2.125

assign ( resid 29 and name HA
	 )
       ( resid 27 and name HD2
	 ) 3.7 0.7 0.7 volume=0.447 peak=307 ppm1=3.711 ppm2=1.701

assign ( resid 31 and name HG
	 )
       ( resid 31 and name HA
	 ) 3.5 1.7 0.7 volume=0.576 peak=191 ppm1=0.592 ppm2=3.505

assign ( resid 18 and name HA
	 )
       ( resid 19 and name HD2#
	 ) 5.2 1.0 1.0 volume=0.157 peak=502 ppm1=3.794 ppm2=0.613

assign ( resid 86 and name HG2#
	 )
       ( resid 51 and name HD1#
	 ) 4.2 0.8 0.8 volume=1.887 peak=171 ppm1=-0.493 ppm2=0.628

assign ( resid 31 and name HD1#
	 )
       ( resid 12 and name HG2#
	 ) 4.6 0.9 0.9 volume=0.961 peak=28 ppm1=0.559 ppm2=1.078

assign ( resid 35 and name HA
	 )
       ( resid 34 and name HN
	 ) 3.4 0.7 2.7 volume=0.745 peak=375 ppm1=3.769 ppm2=7.712

assign ( resid 51 and name HD1#
	 )
       ( resid 86 and name HG11
	 ) 4.6 1.9 0.9 volume=0.329 peak=65 ppm1=0.618 ppm2=1.484

assign ( resid 79 and name HA
	 )
       ( resid 80 and name HN
	 ) 3.6 0.7 0.7 volume=0.512 peak=486 ppm1=4.001 ppm2=7.324

assign ( resid 38 and name HG1#
	 )
       ( resid 38 and name HA
	 ) 3.8 2.8 0.8 volume=1.073 peak=444 ppm1=0.508 ppm2=3.076

assign ( resid 98 and name HA
	 )
       ( resid 102 and name HB#
	 ) 4.1 0.8 0.8 volume=0.633 peak=542 ppm1=3.948 ppm2=1.357

assign ( resid 53 and name HB
	 )
       ( resid 53 and name HA
	 ) 3.4 0.7 0.7 volume=0.660 peak=281 ppm1=1.937 ppm2=4.143

assign ( resid 11 and name HB1
	 )
       ( resid 12 and name HN
	 ) 3.9 1.8 0.8 volume=0.298 peak=156 ppm1=3.079 ppm2=8.051

assign ( resid 5 and name HG
	 )
       ( resid 8 and name HB2
	 ) 3.7 0.7 1.7 volume=0.445 peak=189 ppm1=1.003 ppm2=3.044

assign ( resid 51 and name HD1#
	 )
       ( resid 51 and name HA
	 ) 3.9 1.8 0.8 volume=0.860 peak=321 ppm1=0.622 ppm2=4.147

assign ( resid 19 and name HG
	 )
       ( resid 21 and name HG2#
	 ) 3.4 0.7 1.7 volume=2.117 peak=318 ppm1=0.740 ppm2=1.435

assign ( resid 88 and name HA
	 )
       ( resid 87 and name HG2
	 ) 2.9 0.6 0.6 volume=1.916 peak=462 ppm1=3.867 ppm2=1.784

assign ( resid 32 and name HA
	 )
       ( resid 34 and name HN
	 ) 3.7 0.7 1.7 volume=0.443 peak=205 ppm1=3.600 ppm2=7.830

assign ( resid 98 and name HA
	 )
       ( resid 98 and name HG2
	 ) 2.8 0.6 0.6 volume=2.381 peak=222 ppm1=3.943 ppm2=2.439

assign ( resid 86 and name HB
	 )
       ( resid 87 and name HA
	 ) 4.0 0.8 0.8 volume=0.282 peak=382 ppm1=1.978 ppm2=3.182

assign ( resid 85 and name HA
	 )
       ( resid 85 and name HB2
	 ) 2.8 0.6 0.6 volume=2.469 peak=295 ppm1=4.056 ppm2=1.762

assign ( resid 77 and name HG2#
	 )
       ( resid 77 and name HB
	 ) 3.0 0.6 0.6 volume=4.259 peak=134 ppm1=1.054 ppm2=2.217

assign ( resid 14 and name HB1
	 )
       ( resid 10 and name HB2
	 ) 2.7 0.5 2.5 volume=2.728 peak=155 ppm1=2.202 ppm2=1.921

assign ( resid 86 and name HG2#
	 )
       ( resid 86 and name HG11
	 ) 3.8 0.8 0.8 volume=1.029 peak=469 ppm1=-0.496 ppm2=1.395

assign ( resid 38 and name HB
	 )
       ( resid 38 and name HG1#
	 ) 4.3 2.9 0.9 volume=0.523 peak=330 ppm1=2.303 ppm2=0.508

assign ( resid 75 and name HB
	 )
       ( resid 75 and name HG2#
	 ) 4.2 2.8 0.8 volume=0.575 peak=371 ppm1=2.204 ppm2=0.499

assign ( resid 53 and name HD1#
	 )
       ( resid 90 and name HG2#
	 ) 5.2 2.0 1.0 volume=0.500 peak=323 ppm1=0.980 ppm2=0.595

assign ( resid 15 and name HG
	 )
       ( resid 15 and name HB1
	 ) 2.9 0.6 0.6 volume=1.742 peak=493 ppm1=0.724 ppm2=1.812

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HB
	 ) 2.7 0.5 0.5 volume=2.690 peak=67 ppm1=3.971 ppm2=2.057

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HB
	 ) 3.8 0.8 0.8 volume=0.376 peak=458 ppm1=3.436 ppm2=2.126

assign ( resid 86 and name HA
	 )
       ( resid 89 and name HN
	 ) 4.0 0.8 0.8 volume=0.244 peak=345 ppm1=3.460 ppm2=7.436

assign ( resid 85 and name HG
	 )
       ( resid 89 and name HB2
	 ) 3.9 0.8 0.8 volume=0.301 peak=264 ppm1=1.739 ppm2=1.192

assign ( resid 15 and name HB1
	 )
       ( resid 15 and name HD1#
	 ) 5.1 4.0 1.0 volume=0.190 peak=75 ppm1=1.825 ppm2=0.339

assign ( resid 59 and name HG2#
	 )
       ( resid 59 and name HB
	 ) 3.8 2.8 0.8 volume=1.100 peak=506 ppm1=0.441 ppm2=1.490

assign ( resid 14 and name HG2
	 )
       ( resid 10 and name HB2
	 ) 3.9 0.8 1.8 volume=0.306 peak=275 ppm1=2.551 ppm2=1.896

assign ( resid 89 and name HB2
	 )
       ( resid 90 and name HA
	 ) 4.3 0.9 0.9 volume=0.172 peak=445 ppm1=1.207 ppm2=3.407

assign ( resid 90 and name HG2#
	 )
       ( resid 90 and name HA
	 ) 3.7 1.7 0.7 volume=1.351 peak=369 ppm1=0.605 ppm2=3.343

assign ( resid 76 and name HD2
	 )
       ( resid 76 and name HG1
	 ) 3.7 0.7 0.7 volume=0.454 peak=557 ppm1=2.717 ppm2=1.735

assign ( resid 16 and name HB2
	 )
       ( resid 17 and name HN
	 ) 3.5 0.7 0.7 volume=0.620 peak=425 ppm1=1.741 ppm2=7.854

assign ( resid 98 and name HA
	 )
       ( resid 98 and name HN
	 ) 3.3 0.7 0.7 volume=0.828 peak=13 ppm1=3.956 ppm2=8.269

assign ( resid 113 and name HB2
	 )
       ( resid 112 and name HA
	 ) 4.8 1.0 1.0 volume=0.085 peak=257 ppm1=2.757 ppm2=4.400

assign ( resid 15 and name HB1
	 )
       ( resid 18 and name HB#
	 ) 3.7 0.7 1.7 volume=1.274 peak=84 ppm1=1.889 ppm2=1.459

assign ( resid 97 and name HA
	 )
       ( resid 101 and name HB#
	 ) 4.7 0.9 0.9 volume=0.300 peak=225 ppm1=4.326 ppm2=1.383

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HB1
	 ) 3.6 1.7 0.7 volume=0.487 peak=298 ppm1=2.553 ppm2=2.200

assign ( resid 26 and name HA
	 )
       ( resid 26 and name HB
	 ) 2.9 0.6 0.6 volume=1.912 peak=344 ppm1=4.136 ppm2=1.824

assign ( resid 59 and name HG2#
	 )
       ( resid 41 and name HA
	 ) 5.1 1.0 1.0 volume=0.194 peak=389 ppm1=0.450 ppm2=3.987

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HD2
	 ) 3.2 0.6 1.6 volume=1.064 peak=381 ppm1=3.731 ppm2=1.728

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HN
	 ) 3.3 1.7 0.7 volume=0.760 peak=190 ppm1=2.139 ppm2=7.926

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HG2#
	 ) 3.5 1.7 0.7 volume=1.794 peak=524 ppm1=2.149 ppm2=0.839

assign ( resid 80 and name HB1
	 )
       ( resid 81 and name HN
	 ) 3.5 0.7 0.7 volume=0.579 peak=85 ppm1=2.977 ppm2=7.757

assign ( resid 118 and name HB2
	 )
       ( resid 118 and name HA
	 ) 3.9 1.8 0.8 volume=0.318 peak=101 ppm1=1.550 ppm2=4.147

assign ( resid 53 and name HG11
	 )
       ( resid 90 and name HB
	 ) 2.9 0.6 1.6 volume=1.961 peak=178 ppm1=1.552 ppm2=1.957

assign ( resid 74 and name HB1
	 )
       ( resid 74 and name HA
	 ) 3.5 1.7 0.7 volume=0.572 peak=363 ppm1=1.614 ppm2=4.406

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HB
	 ) 3.5 1.7 0.7 volume=1.810 peak=489 ppm1=1.128 ppm2=2.066

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HA
	 ) 3.7 2.7 0.7 volume=1.339 peak=499 ppm1=1.128 ppm2=3.116

assign ( resid 117 and name HA
	 )
       ( resid 117 and name HN
	 ) 3.3 0.7 0.7 volume=0.797 peak=451 ppm1=4.573 ppm2=8.305

assign ( resid 117 and name HA
	 )
       ( resid 118 and name HN
	 ) 3.0 0.6 0.6 volume=1.390 peak=69 ppm1=4.572 ppm2=8.085

assign ( resid 53 and name HA
	 )
       ( resid 53 and name HD1#
	 ) 3.7 1.7 0.7 volume=1.350 peak=138 ppm1=4.145 ppm2=1.004

assign ( resid 38 and name HG1#
	 )
       ( resid 38 and name HN
	 ) 4.5 1.9 0.9 volume=0.398 peak=90 ppm1=0.508 ppm2=8.487

assign ( resid 35 and name HB1
	 )
       ( resid 35 and name HA
	 ) 3.4 0.7 0.7 volume=0.654 peak=480 ppm1=2.889 ppm2=3.800

assign ( resid 21 and name HA
	 )
       ( resid 22 and name HN
	 ) 4.0 0.8 0.8 volume=0.271 peak=436 ppm1=4.114 ppm2=7.312

assign ( resid 90 and name HG12
	 )
       ( resid 90 and name HD1#
	 ) 4.3 2.9 0.9 volume=0.477 peak=399 ppm1=1.619 ppm2=0.032

assign ( resid 90 and name HA
	 )
       ( resid 51 and name HG11
	 ) 3.9 0.8 0.8 volume=0.296 peak=163 ppm1=3.351 ppm2=1.316

assign ( resid 21 and name HB
	 )
       ( resid 22 and name HN
	 ) 4.1 0.8 0.8 volume=0.232 peak=230 ppm1=4.209 ppm2=7.393

assign ( resid 12 and name HG2#
	 )
       ( resid 11 and name HB1
	 ) 3.7 0.7 0.7 volume=1.294 peak=297 ppm1=1.126 ppm2=3.113

assign ( resid 46 and name HD2
	 )
       ( resid 46 and name HB2
	 ) 3.7 0.7 0.7 volume=0.437 peak=555 ppm1=3.368 ppm2=2.558

assign ( resid 59 and name HG1#
	 )
       ( resid 59 and name HB
	 ) 3.7 2.7 0.7 volume=1.351 peak=397 ppm1=-0.418 ppm2=1.479

assign ( resid 75 and name HG2#
	 )
       ( resid 77 and name HG2#
	 ) 3.8 0.8 1.8 volume=3.113 peak=350 ppm1=0.508 ppm2=1.142

assign ( resid 86 and name HG2#
	 )
       ( resid 90 and name HD1#
	 ) 4.4 0.9 0.9 volume=1.257 peak=530 ppm1=-0.494 ppm2=0.025

assign ( resid 51 and name HD1#
	 )
       ( resid 52 and name HN
	 ) 3.6 0.7 1.7 volume=1.483 peak=426 ppm1=0.620 ppm2=7.148

assign ( resid 53 and name HG2#
	 )
       ( resid 53 and name HB
	 ) 3.2 1.6 0.6 volume=2.813 peak=440 ppm1=1.053 ppm2=1.932

assign ( resid 15 and name HG
	 )
       ( resid 15 and name HD1#
	 ) 3.8 2.8 0.8 volume=1.113 peak=125 ppm1=0.722 ppm2=0.349

assign ( resid 19 and name HD2#
	 )
       ( resid 85 and name HD2#
	 ) 3.3 0.7 1.7 volume=7.314 peak=70 ppm1=0.635 ppm2=0.803

assign ( resid 59 and name HA
	 )
       ( resid 59 and name HB
	 ) 4.0 2.8 0.8 volume=0.250 peak=214 ppm1=3.672 ppm2=1.468

assign ( resid 15 and name HD1#
	 )
       ( resid 86 and name HA
	 ) 4.3 0.9 0.9 volume=0.520 peak=289 ppm1=0.342 ppm2=3.412

assign ( resid 59 and name HG2#
	 )
       ( resid 59 and name HA
	 ) 3.9 2.8 0.8 volume=0.893 peak=175 ppm1=0.440 ppm2=3.675

assign ( resid 88 and name HA
	 )
       ( resid 87 and name HN
	 ) 3.3 0.7 1.9 volume=0.825 peak=123 ppm1=3.850 ppm2=7.886

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HG2
	 ) 3.3 0.7 0.7 volume=0.851 peak=374 ppm1=3.470 ppm2=1.373

assign ( resid 53 and name HB
	 )
       ( resid 51 and name HG2#
	 ) 4.4 0.9 1.9 volume=0.431 peak=326 ppm1=1.934 ppm2=0.599

assign ( resid 86 and name HD1#
	 )
       ( resid 86 and name HA
	 ) 3.7 0.7 0.7 volume=1.339 peak=1 ppm1=0.811 ppm2=3.460


assign ( resid 38 and name HB
	 )
       ( resid 38 and name HN
	 ) 3.8 0.8 0.8 volume=0.360 peak=327 ppm1=2.310 ppm2=8.460

assign ( resid 59 and name HG2#
	 )
       ( resid 60 and name HN
	 ) 4.0 0.8 0.8 volume=0.810 peak=339 ppm1=0.440 ppm2=7.542

assign ( resid 99 and name HB
	 )
       ( resid 98 and name HN
	 ) 3.6 0.7 1.7 volume=0.519 peak=314 ppm1=2.147 ppm2=8.311

assign ( resid 27 and name HB2
	 )
       ( resid 27 and name HN
	 ) 3.6 0.7 0.7 volume=0.492 peak=342 ppm1=1.651 ppm2=8.640

assign ( resid 87 and name HA
	 )
       ( resid 88 and name HN
	 ) 4.3 0.9 0.9 volume=0.175 peak=392 ppm1=3.233 ppm2=7.641

assign ( resid 59 and name HG1#
	 )
       ( resid 59 and name HG2#
	 ) 3.9 2.8 0.8 volume=2.947 peak=473 ppm1=-0.416 ppm2=0.462

assign ( resid 85 and name HA
	 )
       ( resid 89 and name HB2
	 ) 3.3 0.7 1.7 volume=0.783 peak=55 ppm1=4.051 ppm2=1.313

assign ( resid 75 and name HB
	 )
       ( resid 77 and name HG2#
	 ) 4.2 0.8 0.8 volume=0.598 peak=203 ppm1=2.201 ppm2=1.102

assign ( resid 46 and name HD2
	 )
       ( resid 46 and name HG1
	 ) 3.5 0.7 0.7 volume=0.547 peak=60 ppm1=3.367 ppm2=2.115

assign ( resid 38 and name HG1#
	 )
       ( resid 39 and name HN
	 ) 4.3 0.9 0.9 volume=0.520 peak=221 ppm1=0.511 ppm2=7.564

assign ( resid 97 and name HD1
	 )
       ( resid 97 and name HG2
	 ) 3.1 0.6 2.6 volume=1.211 peak=390 ppm1=3.672 ppm2=2.097

assign ( resid 29 and name HB#
	 )
       ( resid 31 and name HN
	 ) 5.2 1.0 1.0 volume=0.159 peak=206 ppm1=1.225 ppm2=7.613

assign ( resid 85 and name HG
	 )
       ( resid 89 and name HN
	 ) 3.6 0.7 0.7 volume=0.495 peak=554 ppm1=1.759 ppm2=7.445

assign ( resid 16 and name HA
	 )
       ( resid 20 and name HN
	 ) 3.6 0.7 0.7 volume=0.482 peak=485 ppm1=3.728 ppm2=8.336

assign ( resid 85 and name HA
	 )
       ( resid 22 and name HG1
	 ) 3.0 0.6 2.6 volume=1.360 peak=546 ppm1=4.051 ppm2=1.562

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HG2#
	 ) 4.3 2.9 0.9 volume=0.528 peak=552 ppm1=3.350 ppm2=0.598

assign ( resid 38 and name HG1#
	 )
       ( resid 37 and name HB1
	 ) 4.0 0.8 0.8 volume=0.775 peak=66 ppm1=0.508 ppm2=2.775

assign ( resid 54 and name HB2
	 )
       ( resid 54 and name HN
	 ) 3.3 0.7 0.7 volume=0.872 peak=331 ppm1=1.893 ppm2=8.101

assign ( resid 53 and name HD1#
	 )
       ( resid 90 and name HD1#
	 ) 5.4 3.1 1.1 volume=0.381 peak=545 ppm1=0.984 ppm2=0.034

assign ( resid 38 and name HG2#
	 )
       ( resid 38 and name HB
	 ) 3.7 1.7 0.7 volume=1.213 peak=273 ppm1=0.695 ppm2=2.295

assign ( resid 90 and name HD1#
	 )
       ( resid 95 and name HG1#
	 ) 4.7 0.9 0.9 volume=0.925 peak=32 ppm1=0.017 ppm2=0.900

assign ( resid 59 and name HG2#
	 )
       ( resid 60 and name HA2
	 ) 4.4 0.9 0.9 volume=0.422 peak=347 ppm1=0.439 ppm2=2.469

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HB1
	 ) 3.1 0.6 0.6 volume=1.321 peak=398 ppm1=3.800 ppm2=2.937

assign ( resid 27 and name HG2
	 )
       ( resid 27 and name HE2
	 ) 3.1 0.6 0.6 volume=1.195 peak=430 ppm1=1.522 ppm2=2.952

assign ( resid 118 and name HA
	 )
       ( resid 118 and name HG
	 ) 3.0 0.6 0.6 volume=1.445 peak=472 ppm1=4.149 ppm2=0.803

assign ( resid 38 and name HA
	 )
       ( resid 39 and name HN
	 ) 3.8 0.8 0.8 volume=0.337 peak=104 ppm1=3.086 ppm2=7.630

assign ( resid 86 and name HG2#
	 )
       ( resid 86 and name HA
	 ) 3.9 1.8 0.8 volume=0.953 peak=370 ppm1=-0.495 ppm2=3.449

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HN
	 ) 4.0 0.8 0.8 volume=0.283 peak=278 ppm1=3.730 ppm2=8.161

assign ( resid 95 and name HB
	 )
       ( resid 95 and name HG1#
	 ) 4.1 2.8 0.8 volume=0.650 peak=290 ppm1=2.050 ppm2=0.885

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HG11
	 ) 4.4 2.9 0.9 volume=0.151 peak=362 ppm1=3.464 ppm2=1.449

assign ( resid 67 and name HB2
	 )
       ( resid 63 and name HA
	 ) 3.7 0.7 0.7 volume=0.433 peak=507 ppm1=3.275 ppm2=4.111

assign ( resid 109 and name HA
	 )
       ( resid 107 and name HB2
	 ) 3.4 0.7 1.7 volume=0.652 peak=283 ppm1=4.041 ppm2=1.915

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HA
	 ) 4.2 0.8 0.8 volume=0.184 peak=274 ppm1=2.558 ppm2=3.648

assign ( resid 88 and name HG1
	 )
       ( resid 89 and name HN
	 ) 3.1 0.6 0.6 volume=1.106 peak=494 ppm1=2.264 ppm2=7.490

assign ( resid 74 and name HA
	 )
       ( resid 74 and name HB1
	 ) 3.0 0.6 0.6 volume=1.593 peak=270 ppm1=4.355 ppm2=1.626

assign ( resid 75 and name HG2#
	 )
       ( resid 75 and name HN
	 ) 3.7 1.7 0.7 volume=1.295 peak=311 ppm1=0.508 ppm2=7.277

assign ( resid 38 and name HG2#
	 )
       ( resid 38 and name HA
	 ) 3.8 0.8 0.8 volume=1.072 peak=492 ppm1=0.696 ppm2=3.098

assign ( resid 102 and name HB#
	 )
       ( resid 103 and name HN
	 ) 4.0 1.8 0.8 volume=0.810 peak=53 ppm1=1.305 ppm2=8.855

assign ( resid 26 and name HA
	 )
       ( resid 26 and name HG1#
	 ) 3.5 1.7 0.7 volume=1.826 peak=160 ppm1=4.144 ppm2=0.733

assign ( resid 87 and name HA
	 )
       ( resid 89 and name HB2
	 ) 3.4 0.7 2.7 volume=0.668 peak=378 ppm1=3.223 ppm2=1.297

assign ( resid 53 and name HB
	 )
       ( resid 54 and name HN
	 ) 3.8 1.8 0.8 volume=0.334 peak=30 ppm1=1.936 ppm2=8.101

assign ( resid 26 and name HA
	 )
       ( resid 27 and name HN
	 ) 2.8 0.6 0.6 volume=2.103 peak=520 ppm1=4.147 ppm2=8.608

assign ( resid 59 and name HG2#
	 )
       ( resid 59 and name HN
	 ) 3.9 0.8 0.8 volume=0.962 peak=8 ppm1=0.441 ppm2=7.825

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HB1
	 ) 3.6 1.7 0.7 volume=1.585 peak=296 ppm1=0.341 ppm2=1.816

assign ( resid 74 and name HB1
	 )
       ( resid 74 and name HD1
	 ) 2.9 0.6 0.6 volume=1.798 peak=261 ppm1=1.607 ppm2=1.979

assign ( resid 88 and name HG1
	 )
       ( resid 88 and name HB1
	 ) 2.1 0.4 0.4 volume=13.389 peak=152 ppm1=2.268 ppm2=1.997

assign ( resid 51 and name HD1#
	 )
       ( resid 86 and name HN
	 ) 4.3 0.9 1.9 volume=0.481 peak=527 ppm1=0.628 ppm2=7.888

assign ( resid 51 and name HG11
	 )
       ( resid 89 and name HG
	 ) 3.2 0.6 2.6 volume=1.019 peak=100 ppm1=1.257 ppm2=0.640

assign ( resid 53 and name HD1#
	 )
       ( resid 53 and name HB
	 ) 3.7 0.7 0.7 volume=1.358 peak=538 ppm1=0.983 ppm2=1.921

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG1
	 ) 3.1 0.6 0.6 volume=1.302 peak=137 ppm1=3.866 ppm2=0.314

assign ( resid 29 and name HB#
	 )
       ( resid 30 and name HN
	 ) 3.9 0.8 0.8 volume=0.919 peak=15 ppm1=1.231 ppm2=6.921

assign ( resid 43 and name HD1
	 )
       ( resid 43 and name HB1
	 ) 3.8 0.8 0.8 volume=0.347 peak=302 ppm1=3.899 ppm2=2.385

assign ( resid 73 and name HB1
	 )
       ( resid 73 and name HN
	 ) 3.0 0.6 0.6 volume=1.425 peak=16 ppm1=1.985 ppm2=8.603

assign ( resid 21 and name HG2#
	 )
       ( resid 19 and name HA
	 ) 4.0 0.8 0.8 volume=0.799 peak=526 ppm1=1.355 ppm2=3.807

assign ( resid 33 and name HB2
	 )
       ( resid 33 and name HN
	 ) 3.1 0.6 0.6 volume=1.215 peak=239 ppm1=1.908 ppm2=7.188

assign ( resid 90 and name HD1#
	 )
       ( resid 51 and name HA
	 ) 4.3 0.9 0.9 volume=0.490 peak=449 ppm1=0.018 ppm2=4.143

assign ( resid 51 and name HB
	 )
       ( resid 51 and name HG11
	 ) 3.8 2.8 0.8 volume=0.335 peak=332 ppm1=1.991 ppm2=1.224

assign ( resid 19 and name HB1
	 )
       ( resid 21 and name HN
	 ) 3.6 0.7 1.7 volume=0.517 peak=72 ppm1=1.691 ppm2=7.858

assign ( resid 51 and name HG11
	 )
       ( resid 52 and name HN
	 ) 4.3 0.9 0.9 volume=0.178 peak=128 ppm1=1.271 ppm2=7.170

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HG
	 ) 3.1 0.6 0.6 volume=1.325 peak=366 ppm1=3.603 ppm2=0.813

assign ( resid 102 and name HA
	 )
       ( resid 101 and name HA
	 ) 3.3 0.7 1.7 volume=0.884 peak=238 ppm1=4.010 ppm2=4.207

assign ( resid 77 and name HB
	 )
       ( resid 77 and name HA
	 ) 3.0 0.6 0.6 volume=1.420 peak=272 ppm1=2.215 ppm2=3.929

assign ( resid 52 and name HA
	 )
       ( resid 52 and name HB1
	 ) 3.3 0.7 0.7 volume=0.809 peak=337 ppm1=4.610 ppm2=2.718

assign ( resid 69 and name HG1
	 )
       ( resid 70 and name HN
	 ) 3.8 0.8 0.8 volume=0.334 peak=200 ppm1=0.311 ppm2=8.599

assign ( resid 18 and name HA
	 )
       ( resid 20 and name HB2
	 ) 3.8 0.8 2.8 volume=0.340 peak=82 ppm1=3.797 ppm2=2.133

assign ( resid 16 and name HD2
	 )
       ( resid 30 and name HB1
	 ) 3.5 0.7 1.7 volume=0.580 peak=2 ppm1=1.753 ppm2=2.714

assign ( resid 89 and name HA
	 )
       ( resid 89 and name HB2
	 ) 3.3 0.7 0.7 volume=0.791 peak=367 ppm1=3.907 ppm2=1.227

assign ( resid 117 and name HA
	 )
       ( resid 117 and name HB2
	 ) 2.9 0.6 0.6 volume=1.957 peak=407 ppm1=4.573 ppm2=2.686

assign ( resid 97 and name HA
	 )
       ( resid 99 and name HA
	 ) 3.7 0.7 2.7 volume=0.408 peak=515 ppm1=4.320 ppm2=3.410

assign ( resid 87 and name HA
	 )
       ( resid 87 and name HB2
	 ) 3.5 1.7 0.7 volume=0.583 peak=150 ppm1=3.223 ppm2=0.760

assign ( resid 51 and name HG11
	 )
       ( resid 51 and name HB
	 ) 3.9 1.8 0.8 volume=0.290 peak=543 ppm1=1.269 ppm2=1.986

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HD1#
	 ) 4.0 0.8 0.8 volume=0.841 peak=213 ppm1=3.457 ppm2=0.810

assign ( resid 59 and name HB
	 )
       ( resid 59 and name HN
	 ) 3.7 1.7 0.7 volume=0.442 peak=457 ppm1=1.475 ppm2=7.815

assign ( resid 31 and name HD1#
	 )
       ( resid 31 and name HA
	 ) 3.7 0.7 0.7 volume=1.250 peak=88 ppm1=0.557 ppm2=3.492

assign ( resid 48 and name HB2
	 )
       ( resid 48 and name HN
	 ) 2.9 0.6 0.6 volume=1.692 peak=148 ppm1=2.108 ppm2=7.702

assign ( resid 59 and name HB
	 )
       ( resid 60 and name HN
	 ) 3.7 0.7 0.7 volume=0.422 peak=269 ppm1=1.481 ppm2=7.552

assign ( resid 38 and name HG1#
	 )
       ( resid 43 and name HB1
	 ) 4.1 0.8 1.8 volume=0.680 peak=236 ppm1=0.509 ppm2=2.503

assign ( resid 86 and name HG11
	 )
       ( resid 86 and name HB
	 ) 3.1 0.6 0.6 volume=1.213 peak=551 ppm1=1.414 ppm2=1.954

assign ( resid 88 and name HG1
	 )
       ( resid 87 and name HN
	 ) 3.5 0.7 1.7 volume=0.539 peak=441 ppm1=2.267 ppm2=7.917

assign ( resid 86 and name HB
	 )
       ( resid 86 and name HD1#
	 ) 4.8 3.0 1.0 volume=0.255 peak=355 ppm1=1.980 ppm2=0.836

assign ( resid 15 and name HB1
	 )
       ( resid 15 and name HG
	 ) 3.2 0.6 0.6 volume=0.944 peak=149 ppm1=1.886 ppm2=0.739

assign ( resid 54 and name HA
	 )
       ( resid 54 and name HN
	 ) 3.2 0.6 0.6 volume=1.082 peak=23 ppm1=4.118 ppm2=8.140

assign ( resid 21 and name HB
	 )
       ( resid 21 and name HG2#
	 ) 3.6 1.7 0.7 volume=1.581 peak=306 ppm1=4.221 ppm2=1.353

assign ( resid 85 and name HA
	 )
       ( resid 85 and name HD2#
	 ) 3.7 0.7 0.7 volume=1.225 peak=284 ppm1=4.052 ppm2=0.797

assign ( resid 35 and name HA
	 )
       ( resid 36 and name HN
	 ) 4.7 0.9 0.9 volume=0.094 peak=439 ppm1=3.773 ppm2=8.380

assign ( resid 84 and name HB2
	 )
       ( resid 85 and name HN
	 ) 3.4 0.7 0.7 volume=0.759 peak=414 ppm1=2.909 ppm2=7.711

assign ( resid 18 and name HB#
	 )
       ( resid 18 and name HA
	 ) 3.2 1.6 0.6 volume=2.734 peak=416 ppm1=1.343 ppm2=3.773

assign ( resid 16 and name HD2
	 )
       ( resid 30 and name HB1
	 ) 3.5 0.7 1.7 volume=0.630 peak=196 ppm1=1.712 ppm2=2.662

assign ( resid 5 and name HA
	 )
       ( resid 7 and name HN
	 ) 3.9 0.8 0.8 volume=0.296 peak=179 ppm1=3.706 ppm2=8.724

assign ( resid 86 and name HG2#
	 )
       ( resid 88 and name HG1
	 ) 5.3 1.1 1.1 volume=0.142 peak=304 ppm1=-0.497 ppm2=2.240

assign ( resid 89 and name HG
	 )
       ( resid 89 and name HB2
	 ) 3.2 0.6 0.6 volume=0.914 peak=401 ppm1=0.634 ppm2=1.241

assign ( resid 110 and name HG
	 )
       ( resid 109 and name HD1#
	 ) 3.6 0.7 0.7 volume=1.562 peak=522 ppm1=1.471 ppm2=0.786

assign ( resid 109 and name HB
	 )
       ( resid 109 and name HN
	 ) 4.1 0.8 0.8 volume=0.223 peak=95 ppm1=1.807 ppm2=8.115

assign ( resid 102 and name HA
	 )
       ( resid 102 and name HB#
	 ) 3.6 1.7 0.7 volume=1.425 peak=56 ppm1=4.003 ppm2=1.306

assign ( resid 53 and name HA
	 )
       ( resid 53 and name HB
	 ) 3.2 0.6 0.6 volume=0.912 peak=291 ppm1=4.142 ppm2=1.938

assign ( resid 80 and name HB1
	 )
       ( resid 80 and name HA
	 ) 3.4 0.7 0.7 volume=0.709 peak=194 ppm1=2.978 ppm2=4.461

assign ( resid 31 and name HA
	 )
       ( resid 34 and name HN
	 ) 3.9 0.8 0.8 volume=0.327 peak=406 ppm1=3.485 ppm2=7.801

assign ( resid 24 and name HA
	 )
       ( resid 25 and name HN
	 ) 2.9 0.6 0.6 volume=1.684 peak=365 ppm1=4.040 ppm2=8.653

assign ( resid 109 and name HA
	 )
       ( resid 109 and name HG2#
	 ) 3.4 0.7 0.7 volume=2.009 peak=240 ppm1=4.040 ppm2=0.839

assign ( resid 85 and name HG
	 )
       ( resid 19 and name HD2#
	 ) 3.7 0.7 1.7 volume=1.166 peak=379 ppm1=1.752 ppm2=0.638

assign ( resid 99 and name HA
	 )
       ( resid 98 and name HN
	 ) 4.4 0.9 0.9 volume=0.147 peak=98 ppm1=3.451 ppm2=8.319

assign ( resid 109 and name HA
	 )
       ( resid 109 and name HG11
	 ) 3.4 0.7 0.7 volume=0.673 peak=317 ppm1=4.051 ppm2=1.120

assign ( resid 113 and name HB2
	 )
       ( resid 113 and name HN
	 ) 3.4 0.7 0.7 volume=0.689 peak=243 ppm1=2.736 ppm2=7.956

assign ( resid 101 and name HB#
	 )
       ( resid 99 and name HN
	 ) 3.2 0.6 1.6 volume=2.761 peak=335 ppm1=1.409 ppm2=7.897

assign ( resid 38 and name HB
	 )
       ( resid 39 and name HN
	 ) 3.7 0.7 0.7 volume=0.420 peak=556 ppm1=2.291 ppm2=7.565

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HB
	 ) 3.6 0.7 0.7 volume=0.471 peak=316 ppm1=3.354 ppm2=1.626

assign ( resid 65 and name HB1
	 )
       ( resid 64 and name HA
	 ) 3.6 0.7 1.9 volume=0.508 peak=409 ppm1=2.791 ppm2=3.925

assign ( resid 72 and name HB1
	 )
       ( resid 73 and name HN
	 ) 4.6 0.9 0.9 volume=0.109 peak=266 ppm1=2.483 ppm2=8.588

assign ( resid 67 and name HB2
	 )
       ( resid 68 and name HA
	 ) 3.8 0.8 1.8 volume=0.381 peak=460 ppm1=3.254 ppm2=4.377

assign ( resid 32 and name HA
	 )
       ( resid 33 and name HN
	 ) 3.9 0.8 0.8 volume=0.299 peak=220 ppm1=3.605 ppm2=7.136

assign ( resid 21 and name HG2#
	 )
       ( resid 21 and name HN
	 ) 3.6 1.7 0.7 volume=1.488 peak=62 ppm1=1.357 ppm2=7.839

assign ( resid 123 and name HA
	 )
       ( resid 123 and name HB2
	 ) 2.5 0.5 0.5 volume=3.918 peak=276 ppm1=4.594 ppm2=3.116

assign ( resid 101 and name HB#
	 )
       ( resid 101 and name HA
	 ) 3.0 0.6 0.6 volume=4.404 peak=39 ppm1=1.410 ppm2=4.211

assign ( resid 16 and name HB2
	 )
       ( resid 17 and name HA
	 ) 3.1 0.6 2.6 volume=1.214 peak=521 ppm1=1.763 ppm2=3.864

assign ( resid 50 and name HB
	 )
       ( resid 48 and name HB2
	 ) 4.4 0.9 0.9 volume=0.142 peak=121 ppm1=3.498 ppm2=2.183

assign ( resid 16 and name HA
	 )
       ( resid 24 and name HG1#
	 ) 4.3 0.9 0.9 volume=0.510 peak=73 ppm1=3.735 ppm2=0.961

assign ( resid 98 and name HA
	 )
       ( resid 99 and name HN
	 ) 3.1 0.6 0.6 volume=1.243 peak=188 ppm1=3.958 ppm2=7.877

assign ( resid 14 and name HA
	 )
       ( resid 13 and name HN
	 ) 4.4 0.9 0.9 volume=0.153 peak=145 ppm1=3.669 ppm2=8.365

assign ( resid 90 and name HG12
	 )
       ( resid 90 and name HG2#
	 ) 4.0 1.8 0.8 volume=0.804 peak=166 ppm1=1.616 ppm2=0.603

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HG
	 ) 3.2 1.6 0.6 volume=2.975 peak=277 ppm1=0.341 ppm2=0.708

assign ( resid 59 and name HA
	 )
       ( resid 59 and name HG1#
	 ) 4.1 0.8 0.8 volume=0.637 peak=235 ppm1=3.671 ppm2=-0.417

assign ( resid 19 and name HD2#
	 )
       ( resid 18 and name HB#
	 ) 4.3 0.9 0.9 volume=1.560 peak=368 ppm1=0.633 ppm2=1.393

assign ( resid 118 and name HG
	 )
       ( resid 118 and name HB2
	 ) 2.7 0.5 0.5 volume=2.846 peak=86 ppm1=0.848 ppm2=1.562

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HG2#
	 ) 3.8 0.8 0.8 volume=1.014 peak=180 ppm1=4.247 ppm2=1.108

assign ( resid 86 and name HB
	 )
       ( resid 89 and name HB2
	 ) 3.3 0.7 2.7 volume=0.818 peak=168 ppm1=1.985 ppm2=1.282

assign ( resid 78 and name HB
	 )
       ( resid 78 and name HG2#
	 ) 3.7 2.7 0.7 volume=1.275 peak=181 ppm1=3.875 ppm2=1.125

assign ( resid 74 and name HB1
	 )
       ( resid 74 and name HG1
	 ) 3.2 0.6 0.6 volume=0.939 peak=113 ppm1=1.610 ppm2=1.300

assign ( resid 59 and name HA
	 )
       ( resid 59 and name HG2#
	 ) 4.0 2.8 0.8 volume=0.737 peak=443 ppm1=3.671 ppm2=0.445

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HD1
	 ) 3.2 0.6 1.8 volume=0.948 peak=226 ppm1=3.471 ppm2=1.614

assign ( resid 86 and name HG2#
	 )
       ( resid 86 and name HN
	 ) 4.3 0.9 0.9 volume=0.535 peak=528 ppm1=-0.496 ppm2=7.923

assign ( resid 69 and name HG1
	 )
       ( resid 70 and name HA
	 ) 3.4 0.7 1.7 volume=0.750 peak=173 ppm1=0.309 ppm2=4.670

assign ( resid 86 and name HA
	 )
       ( resid 85 and name HG
	 ) 3.6 0.7 0.7 volume=0.459 peak=419 ppm1=3.465 ppm2=1.748

assign ( resid 76 and name HD2
	 )
       ( resid 75 and name HA
	 ) 3.4 0.7 0.7 volume=0.648 peak=475 ppm1=2.717 ppm2=4.426

assign ( resid 31 and name HD1#
	 )
       ( resid 16 and name HD2
	 ) 4.3 0.9 0.9 volume=0.492 peak=360 ppm1=0.560 ppm2=1.753

assign ( resid 19 and name HB1
	 )
       ( resid 19 and name HA
	 ) 3.5 0.7 0.7 volume=0.588 peak=76 ppm1=1.702 ppm2=3.696

assign ( resid 19 and name HG
	 )
       ( resid 19 and name HA
	 ) 3.0 0.6 0.6 volume=1.394 peak=303 ppm1=0.740 ppm2=3.760

assign ( resid 69 and name HA
	 )
       ( resid 70 and name HA
	 ) 3.7 0.7 0.7 volume=0.439 peak=9 ppm1=3.874 ppm2=4.688

assign ( resid 75 and name HA
	 )
       ( resid 75 and name HG2#
	 ) 4.6 2.9 0.9 volume=0.353 peak=465 ppm1=4.388 ppm2=0.490

assign ( resid 37 and name HN
	 )
       ( resid 38 and name HA
	 ) 3.6 0.7 1.7 volume=0.528 peak=30 ppm1=7.865 ppm2=3.158

assign ( resid 56 and name HN
	 )
       ( resid 56 and name HB2
	 ) 3.4 1.7 0.7 volume=0.731 peak=60 ppm1=8.915 ppm2=3.288

assign ( resid 70 and name HN
	 )
       ( resid 71 and name HN
	 ) 3.8 2.8 0.8 volume=0.385 peak=11 ppm1=8.582 ppm2=7.902

assign ( resid 23 and name HN
	 )
       ( resid 22 and name HN
	 ) 3.3 0.7 0.7 volume=0.829 peak=52 ppm1=7.882 ppm2=7.323

assign ( resid 63 and name HN
	 )
       ( resid 64 and name HB2
	 ) 2.8 0.6 2.6 volume=2.422 peak=66 ppm1=8.511 ppm2=1.998

assign ( resid 56 and name HN
	 )
       ( resid 55 and name HA
	 ) 3.6 0.7 0.7 volume=0.495 peak=26 ppm1=8.938 ppm2=4.424

assign ( resid 27 and name HN
	 )
       ( resid 26 and name HA
	 ) 3.1 1.6 0.6 volume=1.292 peak=20 ppm1=8.601 ppm2=4.139

assign ( resid 114 and name HN
	 )
       ( resid 114 and name HB1
	 ) 3.3 0.7 0.7 volume=0.788 peak=35 ppm1=7.955 ppm2=3.884

assign ( resid 44 and name HN
	 )
       ( resid 43 and name HA
	 ) 3.9 0.8 0.8 volume=0.312 peak=51 ppm1=6.617 ppm2=4.299

assign ( resid 20 and name HN
	 )
       ( resid 19 and name HB1
	 ) 2.9 0.6 0.6 volume=1.888 peak=15 ppm1=8.350 ppm2=1.719

assign ( resid 78 and name HN
	 )
       ( resid 78 and name HG2#
	 ) 4.2 2.8 0.8 volume=0.612 peak=37 ppm1=7.384 ppm2=1.069

assign ( resid 56 and name HN
	 )
       ( resid 55 and name HB2
	 ) 3.8 0.8 0.8 volume=0.383 peak=31 ppm1=8.936 ppm2=2.813

assign ( resid 22 and name HN
	 )
       ( resid 22 and name HB1
	 ) 3.5 0.7 0.7 volume=0.603 peak=67 ppm1=7.340 ppm2=2.164

assign ( resid 53 and name HN
	 )
       ( resid 54 and name HN
	 ) 3.3 0.7 0.7 volume=0.787 peak=42 ppm1=8.822 ppm2=8.114

assign ( resid 52 and name HN
	 )
       ( resid 51 and name HD1#
	 ) 4.5 0.9 0.9 volume=0.394 peak=10 ppm1=7.161 ppm2=0.565

assign ( resid 34 and name HN
	 )
       ( resid 33 and name HB2
	 ) 3.6 0.7 1.7 volume=0.514 peak=46 ppm1=7.749 ppm2=1.926

assign ( resid 34 and name HN
	 )
       ( resid 34 and name HB2
	 ) 3.4 1.7 0.7 volume=0.687 peak=1 ppm1=7.739 ppm2=3.151

assign ( resid 10 and name HN
	 )
       ( resid 9 and name HA
	 ) 3.8 0.8 0.8 volume=0.378 peak=32 ppm1=8.910 ppm2=4.032

assign ( resid 10 and name HN
	 )
       ( resid 9 and name HB2
	 ) 3.4 0.7 0.7 volume=0.712 peak=71 ppm1=8.917 ppm2=1.969

assign ( resid 53 and name HN
	 )
       ( resid 53 and name HB
	 ) 4.0 1.8 0.8 volume=0.271 peak=68 ppm1=8.809 ppm2=1.933

assign ( resid 56 and name HN
	 )
       ( resid 55 and name HN
	 ) 3.3 0.7 0.7 volume=0.879 peak=14 ppm1=8.928 ppm2=9.188

assign ( resid 63 and name HN
	 )
       ( resid 64 and name HB1
	 ) 3.2 0.6 1.6 volume=0.930 peak=33 ppm1=8.525 ppm2=2.275

assign ( resid 73 and name HN
	 )
       ( resid 74 and name HD1
	 ) 3.2 0.6 0.6 volume=1.055 peak=34 ppm1=8.586 ppm2=1.966

assign ( resid 47 and name HN
	 )
       ( resid 46 and name HG1
	 ) 3.0 0.6 1.6 volume=1.444 peak=4 ppm1=6.535 ppm2=2.059

assign ( resid 7 and name HN
	 )
       ( resid 6 and name HA
	 ) 3.5 0.7 1.7 volume=0.552 peak=50 ppm1=8.714 ppm2=4.132

assign ( resid 63 and name HN
	 )
       ( resid 63 and name HA
	 ) 3.6 2.7 0.7 volume=0.531 peak=16 ppm1=8.537 ppm2=4.134

assign ( resid 60 and name HN
	 )
       ( resid 62 and name HN
	 ) 3.6 0.7 0.7 volume=0.463 peak=61 ppm1=7.515 ppm2=7.921

assign ( resid 30 and name HN
	 )
       ( resid 30 and name HB1
	 ) 3.1 0.6 0.6 volume=1.144 peak=8 ppm1=6.891 ppm2=2.701

assign ( resid 68 and name HN
	 )
       ( resid 68 and name HB1
	 ) 3.7 1.7 0.7 volume=0.401 peak=62 ppm1=8.791 ppm2=3.060

assign ( resid 86 and name HN
	 )
       ( resid 85 and name HG
	 ) 3.4 0.7 0.7 volume=0.689 peak=13 ppm1=7.964 ppm2=1.825

assign ( resid 98 and name HN
	 )
       ( resid 98 and name HA
	 ) 3.6 0.7 0.7 volume=0.535 peak=55 ppm1=8.362 ppm2=3.971

assign ( resid 30 and name HN
	 )
       ( resid 31 and name HN
	 ) 3.3 0.7 0.7 volume=0.804 peak=53 ppm1=6.899 ppm2=7.540

assign ( resid 49 and name HN
	 )
       ( resid 50 and name HN
	 ) 3.5 0.7 1.7 volume=0.627 peak=36 ppm1=7.276 ppm2=7.603

assign ( resid 71 and name HN
	 )
       ( resid 70 and name HN
	 ) 3.4 1.7 0.7 volume=0.651 peak=59 ppm1=7.867 ppm2=8.515

assign ( resid 55 and name HN
	 )
       ( resid 53 and name HB
	 ) 3.7 0.7 1.7 volume=0.407 peak=56 ppm1=9.175 ppm2=2.023

assign ( resid 73 and name HN
	 )
       ( resid 74 and name HN
	 ) 3.7 1.7 0.7 volume=0.412 peak=41 ppm1=8.583 ppm2=7.464

assign ( resid 57 and name HN
	 )
       ( resid 57 and name HB2
	 ) 3.4 0.7 0.7 volume=0.742 peak=48 ppm1=9.132 ppm2=2.172

assign ( resid 25 and name HN
	 )
       ( resid 24 and name HA
	 ) 3.3 0.7 0.7 volume=0.785 peak=21 ppm1=8.680 ppm2=3.978

assign ( resid 23 and name HN
	 )
       ( resid 23 and name HA2
	 ) 3.2 0.6 0.6 volume=1.092 peak=7 ppm1=7.881 ppm2=3.820

assign ( resid 30 and name HN
	 )
       ( resid 29 and name HB#
	 ) 4.4 2.9 0.9 volume=0.467 peak=22 ppm1=6.888 ppm2=1.221

assign ( resid 78 and name HN
	 )
       ( resid 78 and name HB
	 ) 3.7 0.7 0.7 volume=0.436 peak=47 ppm1=7.385 ppm2=3.912

assign ( resid 103 and name HN
	 )
       ( resid 103 and name HG2#
	 ) 4.0 1.8 0.8 volume=0.748 peak=39 ppm1=8.836 ppm2=0.812

assign ( resid 49 and name HN
	 )
       ( resid 50 and name HB
	 ) 3.7 0.7 1.7 volume=0.417 peak=23 ppm1=7.277 ppm2=3.527

assign ( resid 68 and name HN
	 )
       ( resid 67 and name HB2
	 ) 3.9 0.8 0.8 volume=0.300 peak=69 ppm1=8.791 ppm2=3.391

assign ( resid 118 and name HN
	 )
       ( resid 118 and name HA
	 ) 2.4 0.5 0.5 volume=5.506 peak=40 ppm1=8.088 ppm2=4.184

assign ( resid 71 and name HN
	 )
       ( resid 71 and name HA2
	 ) 3.5 1.7 0.7 volume=0.571 peak=49 ppm1=7.863 ppm2=3.502

assign ( resid 6 and name HN
	 )
       ( resid 7 and name HA
	 ) 3.3 0.7 2.7 volume=0.885 peak=43 ppm1=8.218 ppm2=4.026

assign ( resid 49 and name HN
	 )
       ( resid 48 and name HB2
	 ) 3.9 0.8 0.8 volume=0.329 peak=5 ppm1=7.291 ppm2=2.111

assign ( resid 74 and name HN
	 )
       ( resid 73 and name HB1
	 ) 2.9 0.6 0.6 volume=1.739 peak=9 ppm1=7.498 ppm2=1.990

assign ( resid 114 and name HN
	 )
       ( resid 113 and name HA
	 ) 2.9 0.6 0.6 volume=1.895 peak=2 ppm1=7.957 ppm2=4.675

assign ( resid 27 and name HN
	 )
       ( resid 26 and name HB
	 ) 3.2 0.6 1.6 volume=1.062 peak=24 ppm1=8.607 ppm2=1.725

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HG1#
	 ) 4.5 0.9 0.9 volume=0.394 peak=54 ppm1=7.418 ppm2=0.838

assign ( resid 98 and name HN
	 )
       ( resid 99 and name HN
	 ) 3.4 0.7 0.7 volume=0.727 peak=64 ppm1=8.391 ppm2=7.819

assign ( resid 48 and name HN
	 )
       ( resid 47 and name HB1
	 ) 3.4 0.7 0.7 volume=0.686 peak=6 ppm1=7.703 ppm2=2.108

assign ( resid 53 and name HN
	 )
       ( resid 52 and name HA
	 ) 3.8 1.8 0.8 volume=0.376 peak=17 ppm1=8.756 ppm2=4.631

assign ( resid 7 and name HN
	 )
       ( resid 7 and name HB2
	 ) 2.9 0.6 0.6 volume=1.642 peak=58 ppm1=8.707 ppm2=1.994

assign ( resid 27 and name HN
	 )
       ( resid 26 and name HG1#
	 ) 4.5 0.9 0.9 volume=0.393 peak=19 ppm1=8.600 ppm2=0.726

assign ( resid 67 and name HN
	 )
       ( resid 66 and name HB1
	 ) 3.7 1.7 0.7 volume=0.426 peak=65 ppm1=9.073 ppm2=3.215

assign ( resid 48 and name HN
	 )
       ( resid 48 and name HA
	 ) 4.0 0.8 0.8 volume=0.282 peak=12 ppm1=7.705 ppm2=4.068

assign ( resid 31 and name HN
	 )
       ( resid 30 and name HB1
	 ) 3.3 0.7 0.7 volume=0.858 peak=3 ppm1=7.501 ppm2=2.664

assign ( resid 116 and name HN
	 )
       ( resid 116 and name HA
	 ) 2.9 0.6 0.6 volume=1.668 peak=45 ppm1=8.058 ppm2=4.264

assign ( resid 24 and name HN
	 )
       ( resid 23 and name HA2
	 ) 3.9 0.8 0.8 volume=0.317 peak=44 ppm1=7.426 ppm2=3.849

assign ( resid 63 and name HN
	 )
       ( resid 64 and name HA
	 ) 3.2 0.6 2.6 volume=0.952 peak=38 ppm1=8.523 ppm2=3.881

assign ( resid 30 and name HN
	 )
       ( resid 30 and name HA
	 ) 3.8 0.8 0.8 volume=0.382 peak=18 ppm1=6.897 ppm2=4.359

assign ( resid 74 and name HN
	 )
       ( resid 74 and name HB1
	 ) 3.2 0.6 0.6 volume=0.920 peak=29 ppm1=7.483 ppm2=1.596

assign ( resid 69 and name HN
	 )
       ( resid 69 and name HA
	 ) 2.5 0.5 0.5 volume=4.829 peak=28 ppm1=7.979 ppm2=3.931

assign ( resid 47 and name HN
	 )
       ( resid 47 and name HA
	 ) 3.6 0.7 0.7 volume=0.490 peak=27 ppm1=6.541 ppm2=3.935

assign ( resid 24 and name HN
	 )
       ( resid 24 and name HB
	 ) 3.8 2.8 0.8 volume=0.339 peak=63 ppm1=7.402 ppm2=1.965

assign ( resid 52 and name HN
	 )
       ( resid 53 and name HA
	 ) 3.2 0.6 2.6 volume=1.012 peak=57 ppm1=7.173 ppm2=4.103

assign ( residue   9 and name HN  ) ( residue   5  and name O )  1.80  0.00  0.50
assign ( residue   9 and name N  )  ( residue   5  and name O )  2.80  0.00  0.50

assign ( residue   10 and name HN  ) ( residue   6  and name O )  1.80  0.00  0.50
assign ( residue   10 and name N  )  ( residue   6  and name O )  2.80  0.00  0.50

assign ( residue   11 and name HN  ) ( residue   7  and name O )  1.80  0.00  0.50
assign ( residue   11 and name N  )  ( residue   7  and name O )  2.80  0.00  0.50

assign ( residue   12 and name HN  ) ( residue   8  and name O )  1.80  0.00  0.50
assign ( residue   12 and name N  )  ( residue   8  and name O )  2.80  0.00  0.50

assign ( residue   13 and name HN  ) ( residue   9  and name O )  1.80  0.00  0.50
assign ( residue   13 and name N  )  ( residue   9  and name O )  2.80  0.00  0.50

assign ( residue   14 and name HN  ) ( residue   10  and name O )  1.80  0.00  0.50
assign ( residue   14 and name N  )  ( residue   10  and name O )  2.80  0.00  0.50

assign ( residue   15 and name HN  ) ( residue   11  and name O )  1.80  0.00  0.50
assign ( residue   15 and name N  )  ( residue   11  and name O )  2.80  0.00  0.50

assign ( residue   16 and name HN  ) ( residue   12  and name O )  1.80  0.00  0.50
assign ( residue   16 and name N  )  ( residue   12  and name O )  2.80  0.00  0.50

assign ( residue   17 and name HN  ) ( residue   13  and name O )  1.80  0.00  0.50
assign ( residue   17 and name N  )  ( residue   13  and name O )  2.80  0.00  0.50

assign ( residue   18 and name HN  ) ( residue   14  and name O )  1.80  0.00  0.50
assign ( residue   18 and name N  )  ( residue   14  and name O )  2.80  0.00  0.50

assign ( residue   19 and name HN  ) ( residue   15  and name O )  1.80  0.00  0.50
assign ( residue   19 and name N  )  ( residue   15  and name O )  2.80  0.00  0.50

assign ( residue   20 and name HN  ) ( residue   16  and name O )  1.80  0.00  0.50
assign ( residue   20 and name N  )  ( residue   16  and name O )  2.80  0.00  0.50

assign ( residue   21 and name HN  ) ( residue   17  and name O )  1.80  0.00  0.50
assign ( residue   21 and name N  )  ( residue   17  and name O )  2.80  0.00  0.50

assign ( residue   32 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50

assign ( residue   34 and name HN  ) ( residue   30  and name O )  1.80  0.00  0.50
assign ( residue   34 and name N  )  ( residue   30  and name O )  2.80  0.00  0.50

assign ( residue   35 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   36 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   36 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   37 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   37 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50

assign ( residue   38 and name HN  ) ( residue   34  and name O )  1.80  0.00  0.50
assign ( residue   38 and name N  )  ( residue   34  and name O )  2.80  0.00  0.50

assign ( residue   39 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   39 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50

assign ( residue   40 and name HN  ) ( residue   36  and name O )  1.80  0.00  0.50
assign ( residue   40 and name N  )  ( residue   36  and name O )  2.80  0.00  0.50

assign ( residue   58 and name HN  ) ( residue   54  and name O )  1.80  0.00  0.50
assign ( residue   58 and name N  )  ( residue   54  and name O )  2.80  0.00  0.50

assign ( residue   59 and name HN  ) ( residue   55  and name O )  1.80  0.00  0.50
assign ( residue   59 and name N  )  ( residue   55  and name O )  2.80  0.00  0.50

assign ( residue   60 and name HN  ) ( residue   56  and name O )  1.80  0.00  0.50
assign ( residue   60 and name N  )  ( residue   56  and name O )  2.80  0.00  0.50

assign ( residue   61 and name HN  ) ( residue   57  and name O )  1.80  0.00  0.50
assign ( residue   61 and name N  )  ( residue   57  and name O )  2.80  0.00  0.50

assign ( residue   62 and name HN  ) ( residue   58  and name O )  1.80  0.00  0.50
assign ( residue   62 and name N  )  ( residue   58  and name O )  2.80  0.00  0.50

assign ( residue   63 and name HN  ) ( residue   59  and name O )  1.80  0.00  0.50
assign ( residue   63 and name N  )  ( residue   59  and name O )  2.80  0.00  0.50

assign ( residue   64 and name HN  ) ( residue   60  and name O )  1.80  0.00  0.50
assign ( residue   64 and name N  )  ( residue   60  and name O )  2.80  0.00  0.50

assign ( residue   65 and name HN  ) ( residue   61  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   61  and name O )  2.80  0.00  0.50

assign ( residue   66 and name HN  ) ( residue   62  and name O )  1.80  0.00  0.50
assign ( residue   66 and name N  )  ( residue   62  and name O )  2.80  0.00  0.50

assign ( residue   67 and name HN  ) ( residue   63  and name O )  1.80  0.00  0.50
assign ( residue   67 and name N  )  ( residue   63  and name O )  2.80  0.00  0.50

assign ( residue   68 and name HN  ) ( residue   64  and name O )  1.80  0.00  0.50
assign ( residue   68 and name N  )  ( residue   64  and name O )  2.80  0.00  0.50

assign ( residue   69 and name HN  ) ( residue   65  and name O )  1.80  0.00  0.50
assign ( residue   69 and name N  )  ( residue   65  and name O )  2.80  0.00  0.50

assign ( residue   83 and name HN  ) ( residue   79  and name O )  1.80  0.00  0.50
assign ( residue   83 and name N  )  ( residue   79  and name O )  2.80  0.00  0.50

assign ( residue   84 and name HN  ) ( residue   80  and name O )  1.80  0.00  0.50
assign ( residue   84 and name N  )  ( residue   80  and name O )  2.80  0.00  0.50

assign ( residue   85 and name HN  ) ( residue   81  and name O )  1.80  0.00  0.50
assign ( residue   85 and name N  )  ( residue   81  and name O )  2.80  0.00  0.50

assign ( residue   86 and name HN  ) ( residue   82  and name O )  1.80  0.00  0.50
assign ( residue   86 and name N  )  ( residue   82  and name O )  2.80  0.00  0.50

assign ( residue   87 and name HN  ) ( residue   83  and name O )  1.80  0.00  0.50
assign ( residue   87 and name N  )  ( residue   83  and name O )  2.80  0.00  0.50

assign ( residue   88 and name HN  ) ( residue   84  and name O )  1.80  0.00  0.50
assign ( residue   88 and name N  )  ( residue   84  and name O )  2.80  0.00  0.50

assign ( residue   89 and name HN  ) ( residue   85  and name O )  1.80  0.00  0.50
assign ( residue   89 and name N  )  ( residue   85  and name O )  2.80  0.00  0.50

assign ( residue   90 and name HN  ) ( residue   86  and name O )  1.80  0.00  0.50
assign ( residue   90 and name N  )  ( residue   86  and name O )  2.80  0.00  0.50

assign ( residue   102 and name HN  ) ( residue   98  and name O )  1.80  0.00  0.50
assign ( residue   102 and name N  )  ( residue   98  and name O )  2.80  0.00  0.50

assign ( resid 86 and name HG2#  )     ( resid 83 and name HA ) 3.8 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 86 and name HG2#  )     ( resid 44 and name HZ2 ) 3.8 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HG2#  )     ( resid 86 and name HG2# ) 3.5 1.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HG2#  )     ( resid 90 and name HD1# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 79 and name HB#  )     ( resid 77 and name HB ) 4.0 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 18 and name HB#  )     ( resid 85 and name HD1# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 53 and name HG2#  )     ( resid 54 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 69 and name HG1  )     ( resid 66 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 56 and name HH2 ) 3.5 1 .8 2.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 63 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 56 and name HZ3 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 60 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 63 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 43 and name HB2 ) 4.0 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG1#  )     ( resid 56 and name HB2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 43 and name HB2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 55 and name HB1 ) 3.5 0.8 2.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 38 and name HG2#  )     ( resid 37 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 80 and name HB2  )    ( resid 80 and name HD# ) 3.8 1.8 0.8 volume=0.723 peak=500 ppm1=2.963 ppm2=6.935

assign ( resid 75 and name HG2#  )     ( resid 72 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 75 and name HG2#  )     ( resid 74 and name HB2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 24 and name HG2#  )     ( resid 19 and name HD1# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 24 and name HG2#  )     ( resid 22 and name HG2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 24 and name HG2#  )     ( resid 82 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 21 and name HG2#  )     ( resid 22 and name HB2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 21 and name HG2#  )     ( resid 22 and name HG2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 21 and name HG2#  )     ( resid 20 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

#assign ( resid 50 and name HG2#  )     ( resid 49 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 50 and name HG2#  )     ( resid 52 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 50 and name HG2#  )     ( resid 47 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 50 and name HG2#  )     ( resid 45 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 99 and name HG2#  )     ( resid 96 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 5 and name HD1#  )     ( resid 8 and name HB2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 15 and name HD1#  )     ( resid 17 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 15 and name HD1#  )     ( resid 19 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 19 and name HD1#  )     ( resid 82 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG1#  )     ( resid 41 and name HG1 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG1#  )     ( resid 44 and name HZ3 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG1#  )     ( resid 56 and name HH2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG1#  )     ( resid 56 and name HZ2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 12 and name HG2#  )     ( resid 16 and name HD2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 12 and name HG2#  )     ( resid 35 and name HA ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 12 and name HG2#  )     ( resid 35 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 31 and name HD1#  )     ( resid 30 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 38 and name HG2#  )     ( resid 39 and name HD2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 38 and name HG2#  )     ( resid 43 and name HD2 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 38 and name HG1#  )     ( resid 59 and name HG2# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 32 and name HG  )     ( resid 30 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 89 and name HG  )     ( resid 86 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 89 and name HG  )     ( resid 86 and name HG11 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 31 and name HG  )     ( resid 35 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HG1#  )     ( resid 86 and name HG1# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HG1#  )     ( resid 90 and name HA ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 16 and name HG1  )     ( resid 13 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 16 and name HG2  )     ( resid 17 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 43 and name HD2  )     ( resid 44 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 26 and name HB  )     ( resid 27 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HD1# )       ( resid 11 and name HE#
 ) 4.1 0.8 0.8 volume=0.960 peak=561 ppm1=0.626 ppm2=7.164

assign ( resid 69 and name HB  )     ( resid 70 and name HD#
 ) 4.1 0.8 0.8 volume=0.446 peak=30 ppm1=3.610 ppm2=7.180

assign ( resid 15 and name HG  )     ( resid 11 and name HD#
) 3.9 0.8 0.8 volume=0.612 peak=181 ppm1=0.725 ppm2=7.036

assign ( resid 46 and name HD1   )    ( resid 45 and name HD# ) 4.3 0.9 0.9 volume=0.319 peak=219 ppm1=3.368 ppm2=6.799

assign ( resid 15 and name HD2#  )    ( resid 11 and name HD#
 ) 4.6 1.1 1.1 volume=0.199 peak=408 ppm1=0.344 ppm2=6.957

assign ( resid 11 and name HB2   )    ( resid 11 and name HD# ) 3.9 1.8 0.8 volume=0.634 peak=381 ppm1=3.087 ppm2=6.936

assign ( resid 69 and name HG1  )     ( resid 70 and name HD# ) 3.7 0.7 0.7 volume=0.888 peak=119 ppm1=0.310 ppm2=7.201

assign ( resid 35 and name HB2  )     ( resid 35 and name HD# ) 3.7 1.7 0.7 volume=0.810 peak=136 ppm1=2.890 ppm2=6.944

assign ( resid 66 and name HB2   )   ( resid 66 and name HD# ) 3.7 1.7 0.7 volume=0.843 peak=8 ppm1=3.286 ppm2=7.272

assign ( resid 38 and name HG2#  )     ( resid 34 and name HD# ) 4.1 0.8 0.8 volume=1.424 peak=139 ppm1=0.508 ppm2=6.816

assign ( resid 38 and name HG1#  )     ( resid 34 and name HE# ) 3.9 0.8 0.8 volume=1.780 peak=438 ppm1=0.697 ppm2=7.013

assign ( resid 86 and name HD1# )     ( resid 11 and name HE# ) 4.5 0.9 0.9 volume=0.816 peak=2 ppm1=0.810 ppm2=7.236

assign ( resid 86 and name HD1# )     ( resid 11 and name HD# ) 4.5 0.9 0.9 volume=0.816 peak=2 ppm1=0.810 ppm2=7.236

assign ( resid 68 and name HA )      ( resid 67 and name HE# ) 4.1 0.8 0.8 volume=0.462 peak=239 ppm1=4.387 ppm2=6.614

assign ( resid 86 and name HG2#  )     ( resid 11 and name HE# ) 5.3 1.1 1.1 volume=0.299 peak=105 ppm1=-0.493 ppm2=7.122

assign ( resid 11 and name HB2   )    ( resid 11 and name HE# ) 4.0 0.8 0.8 volume=0.512 peak=521 ppm1=3.119 ppm2=7.219

assign ( resid 51 and name HD1# )       ( resid 11 and name HE# ) 3.8 0.8 0.8 volume=1.483 peak=271 ppm1=0.620 ppm2=7.148

assign ( resid 66 and name HB2  )    ( resid 66 and name HE# ) 4.1 0.8 0.8 volume=0.423 peak=346 ppm1=3.281 ppm2=6.894

assign ( resid 75 and name HG1#  )     ( resid 67 and name HE# ) 4.7 1.9 0.9 volume=0.584 peak=352 ppm1=0.508 ppm2=6.556

assign ( resid 79 and name HB#  )     ( resid 56 and name HZ2 ) 3.7 0.7 0.7 volume=1.211 peak=267 ppm1=0.795 ppm2=7.309

assign ( resid 38 and name HG1#  )     ( resid 37 and name HD# ) 4.1 1.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 72 and name HD2  )     ( resid 67 and name HE# ) 4.1 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 86 and name HB  )     ( resid 82 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 86 and name HB  )     ( resid 83 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 75 and name HB  )     ( resid 77 and name HG2# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HB  )     ( resid 44 and name HE1 ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 51 and name HB  )     ( resid 52 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 35 and name HB2  )     ( resid 34 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 15 and name HB2  )     ( resid 11 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 32 and name HB2  )     ( resid 33 and name HN ) 3.5 1.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 32 and name HB2  )     ( resid 33 and name HA ) 3.5 1.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 52 and name HA  )     ( resid 53 and name HN ) 3.5 1.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 52 and name HA  )     ( resid 53 and name HG2# ) 3.5 0.8 2. volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 25 and name HA  )     ( resid 24 and name HB ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 25 and name HA  )     ( resid 26 and name HG2# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 31 and name HA  )     ( resid 35 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 31 and name HA  )     ( resid 35 and name HD# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 19 and name HA  )     ( resid 22 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 32 and name HA  )     ( resid 33 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 39 and name HA  )     ( resid 40 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 14 and name HA  )     ( resid 17 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

#assign ( resid 14 and name HA  )     ( resid 15 and name HB1 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 87 and name HA  )     ( resid 90 and name HD1# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 87 and name HA  )     ( resid 86 and name HG2# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 87 and name HA  )     ( resid 86 and name HG2# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 87 and name HA  )     ( resid 86 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 87 and name HA  )     ( resid 84 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 9 and name HA  )     ( resid 12 and name HB ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 6 and name HA  )     ( resid 5 and name HG ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 16 and name HA  )     ( resid 20 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 86 and name HA  )     ( resid 85 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 69 and name HA  )     ( resid 70 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 90 and name HA  )     ( resid 95 and name HG1# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 90 and name HA  )     ( resid 92 and name HB2 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 97 and name HA  )     ( resid 99 and name HN ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HA  )     ( resid 63 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 78 and name HB  )     ( resid 82 and name HE# ) 3.5 0.8 0.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 50 and name HB  )     ( resid 98 and name HA ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 73 and name HG2  )     ( resid 74 and name HN ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 86 and name HD1#  )     ( resid 44 and name HE# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 59 and name HG2#  )     ( resid 37 and name HD# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 38 and name HG2#  )     ( resid 34 and name HE# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 12 and name HG2#  )     ( resid 35 and name HE# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 31 and name HD2#  )     ( resid 35 and name HE# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 57 and name HA  )     ( resid 56 and name HD1 ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 66 and name HA  )     ( resid 70 and name HD# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( resid 33 and name HG2#  )     ( resid 34 and name HD# ) 3.5 0.8 1.8 volume=0.688 peak=528 ppm1=0.690 ppm2=7.550

assign ( residue   48 and name HB1  ) ( residue   98  and name HG1 )  3.20  2.00  2.50

assign ( residue   48 and name HB1  ) ( residue   98  and name HA)  3.20  2.00  2.50

#assign ( residue   48 and name HB1  ) ( residue   104  and name HA)  3.20  2.00  2.50

assign ( residue   102 and name HB1  ) ( residue   48  and name HB1)  3.20  2.00  2.50

assign ( residue   101 and name HB1  ) ( residue   48  and name HB1)  3.20  2.00  2.50

assign ( residue   104 and name HB1  ) ( residue   48  and name HB1)  3.20  2.00  2.50

assign ( residue   102 and name HB1  ) ( residue   48  and name HG1)  3.20  2.00  2.50

assign ( residue   38 and name HG11  ) ( residue   1  and name 1HAA )  3.20  2.00  2.50

assign ( residue   51 and name HG12  ) ( residue   1  and name 1HAA )  3.20  2.00  2.50

assign ( residue   86 and name HG21  ) ( residue   1  and name 1HAA )  3.20  2.00  2.50

assign ( residue   15 and name HG  ) ( residue   1  and name 1HAC )  3.20  2.00  2.50

assign ( residue   86 and name HD11  ) ( residue   1  and name 1HAA )  3.20  2.00  2.50

assign ( residue   5 and name HD11  ) ( residue   1  and name 1HAI )  3.20  2.00  2.50

assign ( residue   5 and name HD11  ) ( residue   1  and name 1HAM )  3.20  2.00  2.50

assign ( residue   102 and name HB1  ) ( residue   1  and name 2HAJ )  3.20  2.00  2.90

assign ( residue   101 and name HB1  ) ( residue   1  and name 2HAJ )  3.20  2.00  2.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H21  MYR   1          1H2       MYR   1 116.049   8.391  -0.229
    2    H22  MYR   1          2H2       MYR   1 115.497   9.312   0.994
    3    H31  MYR   1          1H3       MYR   1 113.730  10.046  -0.626
    4    H32  MYR   1          2H3       MYR   1 114.146   8.723  -1.478
    5    H41  MYR   1          1H4       MYR   1 113.095   7.381  -0.105
    6    H42  MYR   1          2H4       MYR   1 113.690   8.129   1.212
    7    H51  MYR   1          1H5       MYR   1 111.991   9.905   0.685
    8    H52  MYR   1          2H5       MYR   1 111.255   8.737  -0.189
    9    H61  MYR   1          1H6       MYR   1 111.912   8.406   2.597
   10    H62  MYR   1          2H6       MYR   1 110.451   8.931   2.102
   11    H71  MYR   1          1H7       MYR   1 110.480   6.746   0.799
   12    H72  MYR   1          2H7       MYR   1 111.511   6.302   1.981
   13    H81  MYR   1          1H8       MYR   1 109.339   7.343   3.210
   14    H82  MYR   1          2H8       MYR   1 108.780   6.322   2.070
   15    H91  MYR   1          1H9       MYR   1 110.724   4.983   3.409
   16    H92  MYR   1          2H9       MYR   1 109.773   5.668   4.539
   17   H101  MYR   1          1H10      MYR   1 107.870   4.601   3.581
   18   H102  MYR   1          2H10      MYR   1 108.824   3.896   2.465
   19   H111  MYR   1          1H11      MYR   1 109.895   2.614   4.135
   20   H112  MYR   1          2H11      MYR   1 109.048   3.367   5.302
   21   H121  MYR   1          1H12      MYR   1 107.475   1.869   5.120
   22   H122  MYR   1          2H12      MYR   1 107.217   2.325   3.580
   23   H131  MYR   1          1H13      MYR   1 108.470   0.660   2.735
   24   H132  MYR   1          2H13      MYR   1 109.384   0.530   4.075
   25   H141  MYR   1          1H14      MYR   1 106.717  -0.505   3.724
   26   H142  MYR   1          2H14      MYR   1 108.072  -1.368   4.039
   27   H143  MYR   1          3H14      MYR   1 107.426  -0.414   5.196
   28    H    GLY   2           HN       GLY   2 117.842   9.137  -0.525
   29    HA2  GLY   2           HA2      GLY   2 119.444  10.740   0.004
   30    HA3  GLY   2           HA1      GLY   2 118.213  11.988  -0.170
   31    H    GLN   3           HN       GLN   3 118.653  13.063   1.748
   32    HA   GLN   3           HA       GLN   3 119.090  11.879   4.253
   33    HB2  GLN   3           HB2      GLN   3 118.006  14.583   3.464
   34    HB3  GLN   3           HB1      GLN   3 118.280  14.129   5.146
   35    HG2  GLN   3           HG2      GLN   3 120.644  13.650   4.638
   36    HG3  GLN   3           HG1      GLN   3 120.375  14.089   2.952
   37   HE21  GLN   3          HE21      GLN   3 121.789  15.340   5.587
   38   HE22  GLN   3          HE22      GLN   3 121.421  16.986   5.399
   39    H    GLU   4           HN       GLU   4 116.239  12.248   2.409
   40    HA   GLU   4           HA       GLU   4 114.217  12.337   4.297
   41    HB2  GLU   4           HB2      GLU   4 114.328  10.873   1.661
   42    HB3  GLU   4           HB1      GLU   4 112.861  11.041   2.621
   43    HG2  GLU   4           HG2      GLU   4 113.065  13.494   2.523
   44    HG3  GLU   4           HG1      GLU   4 114.545  13.337   1.578
   45    H    LEU   5           HN       LEU   5 116.520   9.897   3.757
   46    HA   LEU   5           HA       LEU   5 115.373   7.495   4.316
   47    HB2  LEU   5           HB2      LEU   5 117.843   7.947   4.057
   48    HB3  LEU   5           HB1      LEU   5 117.859   8.491   5.733
   49    HG   LEU   5           HG       LEU   5 116.932   6.266   6.415
   50   HD11  LEU   5          HD11      LEU   5 115.900   5.248   4.620
   51   HD12  LEU   5          HD12      LEU   5 117.485   4.488   4.494
   52   HD13  LEU   5          HD13      LEU   5 117.077   5.854   3.457
   53   HD21  LEU   5          HD21      LEU   5 119.595   6.821   5.327
   54   HD22  LEU   5          HD22      LEU   5 119.210   5.100   5.350
   55   HD23  LEU   5          HD23      LEU   5 119.139   6.039   6.840
   56    H    SER   6           HN       SER   6 115.710  10.196   6.488
   57    HA   SER   6           HA       SER   6 115.314   8.998   8.969
   58    HB2  SER   6           HB2      SER   6 114.365  11.174   9.675
   59    HB3  SER   6           HB1      SER   6 115.840  11.378   8.734
   60    HG   SER   6           HG       SER   6 114.618  11.927   6.971
   61    H    GLN   7           HN       GLN   7 113.101   9.553   6.351
   62    HA   GLN   7           HA       GLN   7 110.647   9.350   7.671
   63    HB2  GLN   7           HB2      GLN   7 111.509   8.561   4.887
   64    HB3  GLN   7           HB1      GLN   7 109.843   8.392   5.440
   65    HG2  GLN   7           HG2      GLN   7 109.761  10.789   5.970
   66    HG3  GLN   7           HG1      GLN   7 111.437  10.970   5.454
   67   HE21  GLN   7          HE21      GLN   7 111.273  12.147   3.522
   68   HE22  GLN   7          HE22      GLN   7 110.297  11.695   2.208
   69    H    HIS   8           HN       HIS   8 112.744   6.790   6.295
   70    HA   HIS   8           HA       HIS   8 111.098   4.618   6.853
   71    HB2  HIS   8           HB2      HIS   8 114.078   4.952   6.669
   72    HB3  HIS   8           HB1      HIS   8 113.361   3.386   7.049
   73    HD1  HIS   8           HD1      HIS   8 112.260   2.101   5.158
   74    HD2  HIS   8           HD2      HIS   8 113.334   5.971   4.040
   75    HE1  HIS   8           HE1      HIS   8 111.916   2.245   2.653
   76    HE2  HIS   8           HE2      HIS   8 112.566   4.598   1.956
   77    H    GLU   9           HN       GLU   9 113.671   6.070   8.831
   78    HA   GLU   9           HA       GLU   9 113.580   4.401  11.033
   79    HB2  GLU   9           HB2      GLU   9 115.159   6.301  10.787
   80    HB3  GLU   9           HB1      GLU   9 113.839   7.419  11.126
   81    HG2  GLU   9           HG2      GLU   9 113.531   6.435  13.343
   82    HG3  GLU   9           HG1      GLU   9 114.778   5.234  13.010
   83    H    ARG  10           HN       ARG  10 111.410   7.049  10.224
   84    HA   ARG  10           HA       ARG  10 109.859   6.848  12.652
   85    HB2  ARG  10           HB2      ARG  10 109.138   8.193  10.042
   86    HB3  ARG  10           HB1      ARG  10 108.352   8.424  11.601
   87    HG2  ARG  10           HG2      ARG  10 110.348   9.356  12.575
   88    HG3  ARG  10           HG1      ARG  10 111.297   8.958  11.142
   89    HD2  ARG  10           HD2      ARG  10 110.733  11.312  11.060
   90    HD3  ARG  10           HD1      ARG  10 109.822  10.471   9.810
   91    HE   ARG  10           HE       ARG  10 108.395  10.733  12.312
   92   HH11  ARG  10          HH11      ARG  10 106.566  12.080  12.247
   93   HH12  ARG  10          HH12      ARG  10 106.332  13.150  10.905
   94   HH21  ARG  10          HH21      ARG  10 109.236  12.175   9.281
   95   HH22  ARG  10          HH22      ARG  10 107.845  13.204   9.226
   96    H    TYR  11           HN       TYR  11 109.397   5.887   9.279
   97    HA   TYR  11           HA       TYR  11 106.845   4.792   9.464
   98    HB2  TYR  11           HB2      TYR  11 107.972   5.012   7.317
   99    HB3  TYR  11           HB1      TYR  11 109.182   3.833   7.810
  100    HD1  TYR  11           HD1      TYR  11 108.706   1.463   7.865
  101    HD2  TYR  11           HD2      TYR  11 105.647   4.305   6.862
  102    HE1  TYR  11           HE1      TYR  11 107.254  -0.380   7.064
  103    HE2  TYR  11           HE2      TYR  11 104.194   2.457   6.075
  104    HH   TYR  11           HH       TYR  11 105.384  -0.859   5.862
  105    H    VAL  12           HN       VAL  12 109.972   3.213  10.103
  106    HA   VAL  12           HA       VAL  12 108.924   0.641  10.671
  107    HB   VAL  12           HB       VAL  12 111.416   2.092  11.540
  108   HG11  VAL  12          HG11      VAL  12 112.120  -0.307  12.227
  109   HG12  VAL  12          HG12      VAL  12 110.390  -0.632  12.317
  110   HG13  VAL  12          HG13      VAL  12 111.107   0.605  13.348
  111   HG21  VAL  12          HG21      VAL  12 112.482   0.618   9.978
  112   HG22  VAL  12          HG22      VAL  12 111.067   1.280   9.162
  113   HG23  VAL  12          HG23      VAL  12 111.024  -0.360   9.813
  114    H    GLU  13           HN       GLU  13 109.789   3.295  12.900
  115    HA   GLU  13           HA       GLU  13 108.833   1.943  15.220
  116    HB2  GLU  13           HB2      GLU  13 109.294   4.892  14.727
  117    HB3  GLU  13           HB1      GLU  13 109.013   4.162  16.307
  118    HG2  GLU  13           HG2      GLU  13 111.281   3.399  14.445
  119    HG3  GLU  13           HG1      GLU  13 111.440   4.498  15.814
  120    H    GLN  14           HN       GLN  14 107.382   4.305  13.061
  121    HA   GLN  14           HA       GLN  14 104.983   4.673  14.545
  122    HB2  GLN  14           HB2      GLN  14 105.890   6.270  12.832
  123    HB3  GLN  14           HB1      GLN  14 105.434   5.108  11.584
  124    HG2  GLN  14           HG2      GLN  14 103.648   6.766  11.801
  125    HG3  GLN  14           HG1      GLN  14 103.063   5.220  12.434
  126   HE21  GLN  14          HE21      GLN  14 101.585   6.102  14.012
  127   HE22  GLN  14          HE22      GLN  14 102.113   7.021  15.338
  128    H    LEU  15           HN       LEU  15 105.251   3.314  11.296
  129    HA   LEU  15           HA       LEU  15 102.882   2.052  11.039
  130    HB2  LEU  15           HB2      LEU  15 105.076   1.919   9.544
  131    HB3  LEU  15           HB1      LEU  15 105.272   0.374  10.361
  132    HG   LEU  15           HG       LEU  15 104.055  -0.003   8.289
  133   HD11  LEU  15          HD11      LEU  15 103.333  -1.139  10.454
  134   HD12  LEU  15          HD12      LEU  15 102.175  -1.153   9.124
  135   HD13  LEU  15          HD13      LEU  15 101.977  -0.014  10.451
  136   HD21  LEU  15          HD21      LEU  15 103.056   2.552   8.711
  137   HD22  LEU  15          HD22      LEU  15 101.657   1.525   8.977
  138   HD23  LEU  15          HD23      LEU  15 102.528   1.443   7.449
  139    H    LYS  16           HN       LYS  16 105.691   0.622  12.734
  140    HA   LYS  16           HA       LYS  16 104.369  -1.724  13.545
  141    HB2  LYS  16           HB2      LYS  16 106.721  -0.217  14.674
  142    HB3  LYS  16           HB1      LYS  16 106.140  -1.703  15.403
  143    HG2  LYS  16           HG2      LYS  16 106.365  -2.832  13.184
  144    HG3  LYS  16           HG1      LYS  16 107.075  -1.350  12.551
  145    HD2  LYS  16           HD2      LYS  16 108.933  -1.488  14.062
  146    HD3  LYS  16           HD1      LYS  16 108.201  -2.834  14.938
  147    HE2  LYS  16           HE2      LYS  16 108.233  -3.929  12.487
  148    HE3  LYS  16           HE1      LYS  16 109.580  -2.809  12.297
  149    HZ1  LYS  16           HZ1      LYS  16 110.663  -4.551  13.217
  150    HZ2  LYS  16           HZ2      LYS  16 109.303  -5.099  14.071
  151    HZ3  LYS  16           HZ3      LYS  16 110.187  -3.770  14.645
  152    H    GLN  17           HN       GLN  17 104.603   1.444  15.081
  153    HA   GLN  17           HA       GLN  17 103.264   0.713  17.486
  154    HB2  GLN  17           HB2      GLN  17 103.884   3.309  16.108
  155    HB3  GLN  17           HB1      GLN  17 102.790   3.305  17.488
  156    HG2  GLN  17           HG2      GLN  17 104.472   2.328  18.910
  157    HG3  GLN  17           HG1      GLN  17 105.537   2.025  17.543
  158   HE21  GLN  17          HE21      GLN  17 107.286   3.433  17.973
  159   HE22  GLN  17          HE22      GLN  17 107.115   5.104  18.214
  160    H    ALA  18           HN       ALA  18 102.092   2.564  14.687
  161    HA   ALA  18           HA       ALA  18  99.401   2.656  15.319
  162    HB1  ALA  18           HB1      ALA  18 100.115   2.246  12.455
  163    HB2  ALA  18           HB2      ALA  18 100.816   3.639  13.280
  164    HB3  ALA  18           HB3      ALA  18  99.065   3.453  13.197
  165    H    LEU  19           HN       LEU  19 101.298   0.029  14.569
  166    HA   LEU  19           HA       LEU  19  99.129  -1.666  13.567
  167    HB2  LEU  19           HB2      LEU  19 102.038  -1.880  13.697
  168    HB3  LEU  19           HB1      LEU  19 101.245  -3.372  14.198
  169    HG   LEU  19           HG       LEU  19 100.564  -1.866  11.660
  170   HD11  LEU  19          HD11      LEU  19 101.934  -3.354  10.455
  171   HD12  LEU  19          HD12      LEU  19 102.054  -4.477  11.810
  172   HD13  LEU  19          HD13      LEU  19 102.924  -2.947  11.856
  173   HD21  LEU  19          HD21      LEU  19  99.283  -3.979  13.110
  174   HD22  LEU  19          HD22      LEU  19  99.924  -4.651  11.611
  175   HD23  LEU  19          HD23      LEU  19  98.816  -3.282  11.559
  176    H    LYS  20           HN       LYS  20 101.212  -1.569  16.442
  177    HA   LYS  20           HA       LYS  20 100.208  -3.649  17.884
  178    HB2  LYS  20           HB2      LYS  20 102.019  -2.121  18.646
  179    HB3  LYS  20           HB1      LYS  20 100.795  -0.911  19.033
  180    HG2  LYS  20           HG2      LYS  20  99.737  -2.473  20.618
  181    HG3  LYS  20           HG1      LYS  20 100.942  -3.699  20.220
  182    HD2  LYS  20           HD2      LYS  20 102.735  -2.209  21.021
  183    HD3  LYS  20           HD1      LYS  20 101.535  -0.979  21.423
  184    HE2  LYS  20           HE2      LYS  20 100.469  -2.524  23.014
  185    HE3  LYS  20           HE1      LYS  20 101.649  -3.770  22.607
  186    HZ1  LYS  20           HZ1      LYS  20 102.368  -1.098  23.676
  187    HZ2  LYS  20           HZ2      LYS  20 103.399  -2.431  23.462
  188    HZ3  LYS  20           HZ3      LYS  20 102.178  -2.478  24.643
  189    H    THR  21           HN       THR  21  98.681  -0.581  17.215
  190    HA   THR  21           HA       THR  21  96.596  -0.705  19.107
  191    HB   THR  21           HB       THR  21  97.282   1.211  17.486
  192    HG1  THR  21           HG1      THR  21  94.724   0.465  18.345
  193   HG21  THR  21          HG21      THR  21  96.725  -0.396  15.511
  194   HG22  THR  21          HG22      THR  21  96.266   1.298  15.386
  195   HG23  THR  21          HG23      THR  21  95.058   0.085  15.811
  196    H    ARG  22           HN       ARG  22  96.975  -2.190  15.936
  197    HA   ARG  22           HA       ARG  22  94.281  -3.110  15.750
  198    HB2  ARG  22           HB2      ARG  22  96.806  -3.641  14.232
  199    HB3  ARG  22           HB1      ARG  22  95.438  -4.729  14.019
  200    HG2  ARG  22           HG2      ARG  22  94.001  -2.741  13.471
  201    HG3  ARG  22           HG1      ARG  22  95.438  -1.718  13.554
  202    HD2  ARG  22           HD2      ARG  22  95.042  -2.315  11.247
  203    HD3  ARG  22           HD1      ARG  22  96.497  -3.134  11.808
  204    HE   ARG  22           HE       ARG  22  95.378  -5.172  11.611
  205   HH11  ARG  22          HH11      ARG  22  93.620  -6.427  10.901
  206   HH12  ARG  22          HH12      ARG  22  92.101  -5.667  10.563
  207   HH21  ARG  22          HH21      ARG  22  93.217  -2.481  11.357
  208   HH22  ARG  22          HH22      ARG  22  91.873  -3.433  10.820
  209    H    GLY  23           HN       GLY  23  96.887  -4.047  17.647
  210    HA2  GLY  23           HA2      GLY  23  96.539  -5.713  19.385
  211    HA3  GLY  23           HA1      GLY  23  95.575  -6.630  18.232
  212    H    VAL  24           HN       VAL  24  98.620  -5.134  17.323
  213    HA   VAL  24           HA       VAL  24  99.734  -7.835  16.917
  214    HB   VAL  24           HB       VAL  24 100.693  -5.243  15.708
  215   HG11  VAL  24          HG11      VAL  24 101.233  -8.171  15.196
  216   HG12  VAL  24          HG12      VAL  24 102.392  -6.874  15.488
  217   HG13  VAL  24          HG13      VAL  24 101.523  -6.953  13.958
  218   HG21  VAL  24          HG21      VAL  24  99.470  -6.250  13.640
  219   HG22  VAL  24          HG22      VAL  24  98.495  -5.431  14.861
  220   HG23  VAL  24          HG23      VAL  24  98.566  -7.193  14.825
  221    H    LYS  25           HN       LYS  25 102.183  -7.934  17.120
  222    HA   LYS  25           HA       LYS  25 103.048  -6.344  19.452
  223    HB2  LYS  25           HB2      LYS  25 103.707  -9.204  18.707
  224    HB3  LYS  25           HB1      LYS  25 104.504  -8.314  20.005
  225    HG2  LYS  25           HG2      LYS  25 102.326  -7.972  21.113
  226    HG3  LYS  25           HG1      LYS  25 101.528  -8.865  19.817
  227    HD2  LYS  25           HD2      LYS  25 102.879 -10.862  20.367
  228    HD3  LYS  25           HD1      LYS  25 103.653  -9.969  21.677
  229    HE2  LYS  25           HE2      LYS  25 101.485  -9.666  22.783
  230    HE3  LYS  25           HE1      LYS  25 100.676 -10.505  21.459
  231    HZ1  LYS  25           HZ1      LYS  25 102.175 -12.431  21.975
  232    HZ2  LYS  25           HZ2      LYS  25 101.004 -12.083  23.157
  233    HZ3  LYS  25           HZ3      LYS  25 102.621 -11.619  23.396
  234    H    VAL  26           HN       VAL  26 105.258  -5.727  19.542
  235    HA   VAL  26           HA       VAL  26 106.670  -5.841  16.944
  236    HB   VAL  26           HB       VAL  26 107.377  -3.537  17.241
  237   HG11  VAL  26          HG11      VAL  26 105.279  -3.720  16.110
  238   HG12  VAL  26          HG12      VAL  26 105.073  -2.434  17.304
  239   HG13  VAL  26          HG13      VAL  26 104.411  -4.033  17.610
  240   HG21  VAL  26          HG21      VAL  26 106.239  -3.999  19.959
  241   HG22  VAL  26          HG22      VAL  26 105.982  -2.400  19.265
  242   HG23  VAL  26          HG23      VAL  26 107.621  -3.013  19.473
  243    H    LYS  27           HN       LYS  27 108.240  -7.298  17.385
  244    HA   LYS  27           HA       LYS  27 109.886  -6.868  19.812
  245    HB2  LYS  27           HB2      LYS  27 108.657  -9.133  19.355
  246    HB3  LYS  27           HB1      LYS  27 109.972  -9.399  18.208
  247    HG2  LYS  27           HG2      LYS  27 111.426  -8.586  20.316
  248    HG3  LYS  27           HG1      LYS  27 110.041  -9.230  21.186
  249    HD2  LYS  27           HD2      LYS  27 111.660 -10.727  19.105
  250    HD3  LYS  27           HD1      LYS  27 111.759 -10.961  20.853
  251    HE2  LYS  27           HE2      LYS  27 109.280 -11.471  20.833
  252    HE3  LYS  27           HE1      LYS  27 109.367 -11.481  19.072
  253    HZ1  LYS  27           HZ1      LYS  27 110.923 -13.253  19.127
  254    HZ2  LYS  27           HZ2      LYS  27 109.621 -13.696  20.126
  255    HZ3  LYS  27           HZ3      LYS  27 111.080 -13.158  20.813
  256    H    TYR  28           HN       TYR  28 112.240  -7.332  19.535
  257    HA   TYR  28           HA       TYR  28 113.392  -5.813  17.490
  258    HB2  TYR  28           HB2      TYR  28 114.548  -7.992  19.246
  259    HB3  TYR  28           HB1      TYR  28 115.523  -6.938  18.223
  260    HD1  TYR  28           HD1      TYR  28 113.234  -7.038  21.145
  261    HD2  TYR  28           HD2      TYR  28 115.909  -4.638  18.793
  262    HE1  TYR  28           HE1      TYR  28 113.193  -5.279  22.893
  263    HE2  TYR  28           HE2      TYR  28 115.868  -2.879  20.541
  264    HH   TYR  28           HH       TYR  28 115.365  -2.973  23.229
  265    H    ALA  29           HN       ALA  29 112.937  -9.312  17.794
  266    HA   ALA  29           HA       ALA  29 114.293 -10.142  15.498
  267    HB1  ALA  29           HB1      ALA  29 111.764 -11.517  16.352
  268    HB2  ALA  29           HB2      ALA  29 113.180 -11.547  17.404
  269    HB3  ALA  29           HB3      ALA  29 113.277 -12.214  15.775
  270    H    ASP  30           HN       ASP  30 111.388  -8.414  15.865
  271    HA   ASP  30           HA       ASP  30 110.131  -9.139  13.375
  272    HB2  ASP  30           HB2      ASP  30 108.979  -8.113  15.415
  273    HB3  ASP  30           HB1      ASP  30 109.654  -6.579  14.876
  274    H    LEU  31           HN       LEU  31 112.219  -6.492  14.441
  275    HA   LEU  31           HA       LEU  31 112.113  -5.029  11.995
  276    HB2  LEU  31           HB2      LEU  31 114.058  -5.160  14.295
  277    HB3  LEU  31           HB1      LEU  31 114.428  -4.199  12.867
  278    HG   LEU  31           HG       LEU  31 111.946  -3.287  13.314
  279   HD11  LEU  31          HD11      LEU  31 111.488  -3.149  15.711
  280   HD12  LEU  31          HD12      LEU  31 112.986  -4.001  16.076
  281   HD13  LEU  31          HD13      LEU  31 111.669  -4.846  15.265
  282   HD21  LEU  31          HD21      LEU  31 113.717  -1.739  13.217
  283   HD22  LEU  31          HD22      LEU  31 114.564  -2.482  14.574
  284   HD23  LEU  31          HD23      LEU  31 113.096  -1.546  14.856
  285    H    LEU  32           HN       LEU  32 114.268  -7.604  13.158
  286    HA   LEU  32           HA       LEU  32 116.127  -7.483  11.058
  287    HB2  LEU  32           HB2      LEU  32 115.151  -9.997  12.383
  288    HB3  LEU  32           HB1      LEU  32 116.746  -9.693  11.685
  289    HG   LEU  32           HG       LEU  32 115.574  -8.262  14.109
  290   HD11  LEU  32          HD11      LEU  32 116.629 -10.760  14.077
  291   HD12  LEU  32          HD12      LEU  32 116.811  -9.651  15.437
  292   HD13  LEU  32          HD13      LEU  32 118.104  -9.810  14.248
  293   HD21  LEU  32          HD21      LEU  32 118.077  -7.893  12.466
  294   HD22  LEU  32          HD22      LEU  32 118.077  -7.484  14.181
  295   HD23  LEU  32          HD23      LEU  32 116.966  -6.668  13.081
  296    H    LYS  33           HN       LYS  33 113.159  -9.415  11.336
  297    HA   LYS  33           HA       LYS  33 113.415 -10.527   8.691
  298    HB2  LYS  33           HB2      LYS  33 112.292 -11.726  10.547
  299    HB3  LYS  33           HB1      LYS  33 111.013 -10.513  10.519
  300    HG2  LYS  33           HG2      LYS  33 110.510 -11.090   8.162
  301    HG3  LYS  33           HG1      LYS  33 111.794 -12.299   8.193
  302    HD2  LYS  33           HD2      LYS  33 110.624 -13.498  10.005
  303    HD3  LYS  33           HD1      LYS  33 109.336 -12.292   9.967
  304    HE2  LYS  33           HE2      LYS  33 108.836 -12.874   7.635
  305    HE3  LYS  33           HE1      LYS  33 110.139 -14.063   7.638
  306    HZ1  LYS  33           HZ1      LYS  33 108.712 -15.523   8.456
  307    HZ2  LYS  33           HZ2      LYS  33 107.488 -14.348   8.538
  308    HZ3  LYS  33           HZ3      LYS  33 108.540 -14.576   9.853
  309    H    PHE  34           HN       PHE  34 111.109  -8.228  10.179
  310    HA   PHE  34           HA       PHE  34 109.629  -7.660   7.881
  311    HB2  PHE  34           HB2      PHE  34 108.964  -7.012  10.171
  312    HB3  PHE  34           HB1      PHE  34 110.263  -5.819  10.201
  313    HD1  PHE  34           HD1      PHE  34 107.265  -6.845   8.213
  314    HD2  PHE  34           HD2      PHE  34 109.886  -3.648   9.378
  315    HE1  PHE  34           HE1      PHE  34 105.797  -5.218   7.052
  316    HE2  PHE  34           HE2      PHE  34 108.420  -2.023   8.217
  317    HZ   PHE  34           HZ       PHE  34 106.374  -2.806   7.053
  318    H    PHE  35           HN       PHE  35 112.599  -6.190   9.088
  319    HA   PHE  35           HA       PHE  35 112.656  -4.083   7.120
  320    HB2  PHE  35           HB2      PHE  35 113.799  -4.162   9.428
  321    HB3  PHE  35           HB1      PHE  35 115.064  -5.096   8.626
  322    HD1  PHE  35           HD1      PHE  35 113.881  -1.874   9.441
  323    HD2  PHE  35           HD2      PHE  35 115.924  -4.020   6.322
  324    HE1  PHE  35           HE1      PHE  35 114.777   0.261   8.543
  325    HE2  PHE  35           HE2      PHE  35 116.810  -1.883   5.433
  326    HZ   PHE  35           HZ       PHE  35 116.239   0.256   6.542
  327    H    ASP  36           HN       ASP  36 114.280  -7.244   7.527
  328    HA   ASP  36           HA       ASP  36 115.831  -7.054   5.131
  329    HB2  ASP  36           HB2      ASP  36 115.039  -9.427   6.826
  330    HB3  ASP  36           HB1      ASP  36 116.134  -9.530   5.449
  331    H    PHE  37           HN       PHE  37 112.575  -8.030   5.805
  332    HA   PHE  37           HA       PHE  37 112.099  -9.655   3.535
  333    HB2  PHE  37           HB2      PHE  37 110.523  -8.405   5.654
  334    HB3  PHE  37           HB1      PHE  37 109.683  -8.427   4.109
  335    HD1  PHE  37           HD1      PHE  37 108.157 -10.193   4.128
  336    HD2  PHE  37           HD2      PHE  37 112.129 -10.826   5.638
  337    HE1  PHE  37           HE1      PHE  37 107.670 -12.608   4.396
  338    HE2  PHE  37           HE2      PHE  37 111.641 -13.243   5.907
  339    HZ   PHE  37           HZ       PHE  37 109.411 -14.134   5.286
  340    H    VAL  38           HN       VAL  38 111.117  -6.277   4.146
  341    HA   VAL  38           HA       VAL  38 110.366  -5.824   1.427
  342    HB   VAL  38           HB       VAL  38 110.595  -3.354   2.160
  343   HG11  VAL  38          HG11      VAL  38 108.750  -5.339   3.520
  344   HG12  VAL  38          HG12      VAL  38 108.443  -4.452   2.027
  345   HG13  VAL  38          HG13      VAL  38 108.515  -3.593   3.567
  346   HG21  VAL  38          HG21      VAL  38 111.990  -4.512   4.247
  347   HG22  VAL  38          HG22      VAL  38 110.394  -4.239   4.945
  348   HG23  VAL  38          HG23      VAL  38 111.300  -2.893   4.261
  349    H    LYS  39           HN       LYS  39 113.324  -5.172   3.255
  350    HA   LYS  39           HA       LYS  39 114.705  -3.627   1.370
  351    HB2  LYS  39           HB2      LYS  39 115.483  -4.086   3.685
  352    HB3  LYS  39           HB1      LYS  39 115.869  -5.737   3.201
  353    HG2  LYS  39           HG2      LYS  39 117.479  -4.923   1.554
  354    HG3  LYS  39           HG1      LYS  39 117.042  -3.253   1.915
  355    HD2  LYS  39           HD2      LYS  39 117.817  -3.561   4.233
  356    HD3  LYS  39           HD1      LYS  39 118.268  -5.223   3.864
  357    HE2  LYS  39           HE2      LYS  39 119.430  -2.704   2.647
  358    HE3  LYS  39           HE1      LYS  39 120.253  -3.871   3.679
  359    HZ1  LYS  39           HZ1      LYS  39 119.297  -4.248   0.909
  360    HZ2  LYS  39           HZ2      LYS  39 119.682  -5.561   1.917
  361    HZ3  LYS  39           HZ3      LYS  39 120.874  -4.422   1.510
  362    H    ASP  40           HN       ASP  40 114.067  -7.076   1.435
  363    HA   ASP  40           HA       ASP  40 115.983  -8.108  -0.236
  364    HB2  ASP  40           HB2      ASP  40 114.170  -9.437   0.767
  365    HB3  ASP  40           HB1      ASP  40 113.016  -8.690  -0.335
  366    H    THR  41           HN       THR  41 112.821  -6.911  -1.413
  367    HA   THR  41           HA       THR  41 114.133  -6.236  -3.977
  368    HB   THR  41           HB       THR  41 111.773  -6.446  -4.912
  369    HG1  THR  41           HG1      THR  41 111.459  -7.252  -2.274
  370   HG21  THR  41          HG21      THR  41 113.614  -8.576  -3.994
  371   HG22  THR  41          HG22      THR  41 113.017  -8.224  -5.616
  372   HG23  THR  41          HG23      THR  41 112.005  -9.112  -4.477
  373    H    CYS  42           HN       CYS  42 113.171  -4.795  -1.253
  374    HA   CYS  42           HA       CYS  42 112.098  -2.799  -0.693
  375    HB2  CYS  42           HB2      CYS  42 113.225  -0.915  -2.179
  376    HB3  CYS  42           HB1      CYS  42 114.163  -1.820  -0.994
  377    HG   CYS  42           HG       CYS  42 115.528  -2.744  -2.831
  378    HA   PRO  43           HA       PRO  43 109.141  -3.038  -4.320
  379    HB2  PRO  43           HB2      PRO  43 107.179  -3.432  -2.145
  380    HB3  PRO  43           HB1      PRO  43 107.409  -4.356  -3.641
  381    HG2  PRO  43           HG2      PRO  43 108.093  -5.350  -1.276
  382    HG3  PRO  43           HG1      PRO  43 109.045  -5.682  -2.729
  383    HD2  PRO  43           HD2      PRO  43 109.614  -3.748  -0.497
  384    HD3  PRO  43           HD1      PRO  43 110.723  -4.829  -1.367
  385    H    TRP  44           HN       TRP  44 109.375  -1.275  -1.359
  386    HA   TRP  44           HA       TRP  44 107.251   0.567  -1.779
  387    HB2  TRP  44           HB2      TRP  44 109.476   0.229   0.090
  388    HB3  TRP  44           HB1      TRP  44 109.114   1.921  -0.248
  389    HD1  TRP  44           HD1      TRP  44 107.207   2.918   1.097
  390    HE1  TRP  44           HE1      TRP  44 105.231   1.983   2.464
  391    HE3  TRP  44           HE3      TRP  44 107.723  -2.064   0.098
  392    HZ2  TRP  44           HZ2      TRP  44 104.029  -0.544   3.053
  393    HZ3  TRP  44           HZ3      TRP  44 106.152  -3.711   1.076
  394    HH2  TRP  44           HH2      TRP  44 104.306  -2.959   2.551
  395    H    PHE  45           HN       PHE  45 109.201   0.098  -4.059
  396    HA   PHE  45           HA       PHE  45 109.845   1.408  -5.829
  397    HB2  PHE  45           HB2      PHE  45 108.133   3.116  -4.531
  398    HB3  PHE  45           HB1      PHE  45 109.643   4.032  -4.518
  399    HD1  PHE  45           HD1      PHE  45 106.801   3.923  -6.252
  400    HD2  PHE  45           HD2      PHE  45 110.981   3.248  -6.979
  401    HE1  PHE  45           HE1      PHE  45 106.471   4.462  -8.648
  402    HE2  PHE  45           HE2      PHE  45 110.651   3.789  -9.376
  403    HZ   PHE  45           HZ       PHE  45 108.396   4.395 -10.211
  404    HA   PRO  46           HA       PRO  46 113.919   1.367  -3.672
  405    HB2  PRO  46           HB2      PRO  46 114.771   1.050  -6.505
  406    HB3  PRO  46           HB1      PRO  46 115.245   0.116  -5.073
  407    HG2  PRO  46           HG2      PRO  46 113.570  -0.868  -6.897
  408    HG3  PRO  46           HG1      PRO  46 113.394  -1.225  -5.176
  409    HD2  PRO  46           HD2      PRO  46 111.766   0.591  -6.883
  410    HD3  PRO  46           HD1      PRO  46 111.284  -0.377  -5.473
  411    H    GLN  47           HN       GLN  47 112.612   3.338  -6.215
  412    HA   GLN  47           HA       GLN  47 114.921   5.107  -6.356
  413    HB2  GLN  47           HB2      GLN  47 112.121   5.357  -7.466
  414    HB3  GLN  47           HB1      GLN  47 113.456   6.452  -7.826
  415    HG2  GLN  47           HG2      GLN  47 114.768   4.566  -8.732
  416    HG3  GLN  47           HG1      GLN  47 113.431   3.471  -8.387
  417   HE21  GLN  47          HE21      GLN  47 113.829   3.269 -10.934
  418   HE22  GLN  47          HE22      GLN  47 112.864   4.288 -11.889
  419    H    GLU  48           HN       GLU  48 111.502   5.602  -5.449
  420    HA   GLU  48           HA       GLU  48 112.299   7.949  -3.853
  421    HB2  GLU  48           HB2      GLU  48 110.442   8.337  -5.316
  422    HB3  GLU  48           HB1      GLU  48 109.594   6.914  -4.716
  423    HG2  GLU  48           HG2      GLU  48 108.729   9.045  -3.740
  424    HG3  GLU  48           HG1      GLU  48 109.337   7.946  -2.510
  425    H    GLY  49           HN       GLY  49 111.171   4.678  -3.459
  426    HA2  GLY  49           HA2      GLY  49 111.080   3.386  -1.520
  427    HA3  GLY  49           HA1      GLY  49 111.714   4.765  -0.629
  428    H    THR  50           HN       THR  50 108.816   4.896  -2.643
  429    HA   THR  50           HA       THR  50 107.233   5.698  -0.311
  430    HB   THR  50           HB       THR  50 107.164   7.118  -2.357
  431    HG1  THR  50           HG1      THR  50 105.387   7.150  -1.043
  432   HG21  THR  50          HG21      THR  50 106.035   6.245  -4.357
  433   HG22  THR  50          HG22      THR  50 105.826   4.673  -3.583
  434   HG23  THR  50          HG23      THR  50 107.447   5.260  -3.985
  435    H    ILE  51           HN       ILE  51 104.851   4.974  -0.444
  436    HA   ILE  51           HA       ILE  51 104.874   2.078  -0.400
  437    HB   ILE  51           HB       ILE  51 102.386   3.657  -0.014
  438   HG12  ILE  51          HG12      ILE  51 104.764   3.655   1.857
  439   HG13  ILE  51          HG11      ILE  51 103.940   5.053   1.159
  440   HG21  ILE  51          HG21      ILE  51 103.466   1.562   1.820
  441   HG22  ILE  51          HG22      ILE  51 102.836   1.071   0.247
  442   HG23  ILE  51          HG23      ILE  51 101.804   1.925   1.391
  443   HD11  ILE  51          HD11      ILE  51 102.851   3.135   3.217
  444   HD12  ILE  51          HD12      ILE  51 101.862   4.326   2.376
  445   HD13  ILE  51          HD13      ILE  51 103.185   4.852   3.415
  446    H    ASP  52           HN       ASP  52 103.834   0.724  -1.806
  447    HA   ASP  52           HA       ASP  52 102.197   1.929  -3.941
  448    HB2  ASP  52           HB2      ASP  52 104.564   0.078  -4.301
  449    HB3  ASP  52           HB1      ASP  52 103.329   0.300  -5.539
  450    H    ILE  53           HN       ILE  53 100.307   0.932  -4.030
  451    HA   ILE  53           HA       ILE  53  99.779  -1.480  -2.591
  452    HB   ILE  53           HB       ILE  53  98.020  -0.123  -4.649
  453   HG12  ILE  53          HG12      ILE  53  98.758   1.485  -2.946
  454   HG13  ILE  53          HG11      ILE  53  97.065   1.089  -2.665
  455   HG21  ILE  53          HG21      ILE  53  96.673  -1.323  -2.393
  456   HG22  ILE  53          HG22      ILE  53  97.744  -2.513  -3.127
  457   HG23  ILE  53          HG23      ILE  53  96.510  -1.718  -4.105
  458   HD11  ILE  53          HD11      ILE  53  99.505   0.334  -1.079
  459   HD12  ILE  53          HD12      ILE  53  98.147  -0.784  -1.072
  460   HD13  ILE  53          HD13      ILE  53  97.924   0.863  -0.497
  461    H    LYS  54           HN       LYS  54 100.128  -0.706  -6.030
  462    HA   LYS  54           HA       LYS  54  99.406  -3.254  -7.037
  463    HB2  LYS  54           HB2      LYS  54 101.306  -1.223  -8.238
  464    HB3  LYS  54           HB1      LYS  54 100.442  -2.488  -9.106
  465    HG2  LYS  54           HG2      LYS  54  99.043  -0.289  -7.554
  466    HG3  LYS  54           HG1      LYS  54  99.405  -0.173  -9.275
  467    HD2  LYS  54           HD2      LYS  54  98.133  -2.364  -9.561
  468    HD3  LYS  54           HD1      LYS  54  97.591  -2.166  -7.895
  469    HE2  LYS  54           HE2      LYS  54  96.725   0.112  -8.523
  470    HE3  LYS  54           HE1      LYS  54  97.092  -0.281 -10.204
  471    HZ1  LYS  54           HZ1      LYS  54  95.676  -2.250  -9.987
  472    HZ2  LYS  54           HZ2      LYS  54  94.811  -0.810  -9.726
  473    HZ3  LYS  54           HZ3      LYS  54  95.268  -1.783  -8.409
  474    H    ARG  55           HN       ARG  55 102.598  -1.802  -6.438
  475    HA   ARG  55           HA       ARG  55 104.071  -4.127  -7.096
  476    HB2  ARG  55           HB2      ARG  55 104.650  -1.473  -6.289
  477    HB3  ARG  55           HB1      ARG  55 105.459  -2.543  -5.142
  478    HG2  ARG  55           HG2      ARG  55 106.518  -3.763  -6.979
  479    HG3  ARG  55           HG1      ARG  55 105.656  -2.778  -8.161
  480    HD2  ARG  55           HD2      ARG  55 106.785  -0.762  -7.322
  481    HD3  ARG  55           HD1      ARG  55 107.623  -1.726  -6.113
  482    HE   ARG  55           HE       ARG  55 109.025  -2.564  -7.791
  483   HH11  ARG  55          HH11      ARG  55 109.919  -2.432  -9.872
  484   HH12  ARG  55          HH12      ARG  55 109.080  -1.567 -11.116
  485   HH21  ARG  55          HH21      ARG  55 106.421  -0.680  -9.075
  486   HH22  ARG  55          HH22      ARG  55 107.101  -0.575 -10.664
  487    H    TRP  56           HN       TRP  56 102.619  -2.944  -4.116
  488    HA   TRP  56           HA       TRP  56 103.865  -4.616  -2.290
  489    HB2  TRP  56           HB2      TRP  56 102.459  -2.913  -1.430
  490    HB3  TRP  56           HB1      TRP  56 101.073  -3.489  -2.355
  491    HD1  TRP  56           HD1      TRP  56  99.415  -4.717  -0.911
  492    HE1  TRP  56           HE1      TRP  56  99.524  -6.244   1.163
  493    HE3  TRP  56           HE3      TRP  56 104.463  -4.790  -0.126
  494    HZ2  TRP  56           HZ2      TRP  56 101.492  -7.351   2.920
  495    HZ3  TRP  56           HZ3      TRP  56 105.426  -6.087   1.745
  496    HH2  TRP  56           HH2      TRP  56 103.952  -7.370   3.266
  497    H    ARG  57           HN       ARG  57 101.143  -5.224  -4.428
  498    HA   ARG  57           HA       ARG  57 100.484  -7.791  -3.412
  499    HB2  ARG  57           HB2      ARG  57  99.999  -6.568  -6.145
  500    HB3  ARG  57           HB1      ARG  57  99.348  -8.119  -5.619
  501    HG2  ARG  57           HG2      ARG  57  98.246  -7.000  -3.703
  502    HG3  ARG  57           HG1      ARG  57  98.847  -5.447  -4.283
  503    HD2  ARG  57           HD2      ARG  57  97.068  -7.312  -5.873
  504    HD3  ARG  57           HD1      ARG  57  96.505  -5.890  -5.000
  505    HE   ARG  57           HE       ARG  57  98.538  -5.014  -6.684
  506   HH11  ARG  57          HH11      ARG  57  98.055  -4.142  -8.726
  507   HH12  ARG  57          HH12      ARG  57  96.554  -4.536  -9.497
  508   HH21  ARG  57          HH21      ARG  57  95.457  -6.573  -6.915
  509   HH22  ARG  57          HH22      ARG  57  95.084  -5.912  -8.471
  510    H    ARG  58           HN       ARG  58 102.723  -6.653  -5.897
  511    HA   ARG  58           HA       ARG  58 103.374  -9.136  -7.044
  512    HB2  ARG  58           HB2      ARG  58 104.073  -6.923  -7.946
  513    HB3  ARG  58           HB1      ARG  58 105.226  -6.782  -6.620
  514    HG2  ARG  58           HG2      ARG  58 106.365  -8.829  -7.367
  515    HG3  ARG  58           HG1      ARG  58 105.199  -9.010  -8.679
  516    HD2  ARG  58           HD2      ARG  58 105.905  -6.813  -9.585
  517    HD3  ARG  58           HD1      ARG  58 107.101  -6.681  -8.298
  518    HE   ARG  58           HE       ARG  58 107.260  -8.389 -10.646
  519   HH11  ARG  58          HH11      ARG  58 109.242  -9.464 -10.906
  520   HH12  ARG  58          HH12      ARG  58 110.375  -9.510  -9.597
  521   HH21  ARG  58          HH21      ARG  58 108.365  -7.679  -7.444
  522   HH22  ARG  58          HH22      ARG  58 109.879  -8.499  -7.637
  523    H    VAL  59           HN       VAL  59 104.972  -7.402  -4.359
  524    HA   VAL  59           HA       VAL  59 106.856  -9.484  -3.806
  525    HB   VAL  59           HB       VAL  59 107.327  -7.232  -3.061
  526   HG11  VAL  59          HG11      VAL  59 104.823  -7.526  -1.381
  527   HG12  VAL  59          HG12      VAL  59 105.005  -6.504  -2.806
  528   HG13  VAL  59          HG13      VAL  59 105.924  -6.151  -1.348
  529   HG21  VAL  59          HG21      VAL  59 107.745  -9.415  -1.549
  530   HG22  VAL  59          HG22      VAL  59 106.705  -8.515  -0.439
  531   HG23  VAL  59          HG23      VAL  59 108.215  -7.801  -1.014
  532    H    GLY  60           HN       GLY  60 103.609  -8.756  -2.674
  533    HA2  GLY  60           HA2      GLY  60 103.536 -10.510  -0.463
  534    HA3  GLY  60           HA1      GLY  60 102.134  -9.934  -1.359
  535    H    ASP  61           HN       ASP  61 102.431 -10.992  -3.828
  536    HA   ASP  61           HA       ASP  61 101.722 -13.727  -3.420
  537    HB2  ASP  61           HB2      ASP  61 101.600 -13.804  -5.910
  538    HB3  ASP  61           HB1      ASP  61 100.677 -12.477  -5.208
  539    H    CYS  62           HN       CYS  62 104.632 -12.080  -4.522
  540    HA   CYS  62           HA       CYS  62 105.991 -14.368  -5.500
  541    HB2  CYS  62           HB2      CYS  62 106.993 -11.721  -4.443
  542    HB3  CYS  62           HB1      CYS  62 108.047 -12.943  -5.151
  543    HG   CYS  62           HG       CYS  62 107.394 -12.018  -7.349
  544    H    PHE  63           HN       PHE  63 105.787 -12.871  -2.302
  545    HA   PHE  63           HA       PHE  63 107.728 -14.676  -1.147
  546    HB2  PHE  63           HB2      PHE  63 106.003 -12.443  -0.159
  547    HB3  PHE  63           HB1      PHE  63 106.636 -13.601   1.011
  548    HD1  PHE  63           HD1      PHE  63 108.598 -12.889   2.049
  549    HD2  PHE  63           HD2      PHE  63 107.952 -11.923  -2.087
  550    HE1  PHE  63           HE1      PHE  63 110.806 -11.767   1.966
  551    HE2  PHE  63           HE2      PHE  63 110.161 -10.800  -2.170
  552    HZ   PHE  63           HZ       PHE  63 111.589 -10.722  -0.143
  553    H    GLN  64           HN       GLN  64 104.220 -14.284  -1.154
  554    HA   GLN  64           HA       GLN  64 103.661 -16.394   0.649
  555    HB2  GLN  64           HB2      GLN  64 102.088 -14.520  -0.149
  556    HB3  GLN  64           HB1      GLN  64 101.796 -15.543  -1.555
  557    HG2  GLN  64           HG2      GLN  64 100.088 -16.085   0.037
  558    HG3  GLN  64           HG1      GLN  64 101.240 -17.418   0.079
  559   HE21  GLN  64          HE21      GLN  64 101.269 -18.061   2.258
  560   HE22  GLN  64          HE22      GLN  64 101.515 -17.006   3.563
  561    H    ASP  65           HN       ASP  65 104.078 -16.286  -2.838
  562    HA   ASP  65           HA       ASP  65 103.180 -18.915  -3.394
  563    HB2  ASP  65           HB2      ASP  65 103.438 -17.237  -5.142
  564    HB3  ASP  65           HB1      ASP  65 105.171 -17.160  -4.829
  565    H    TYR  66           HN       TYR  66 106.505 -17.614  -3.072
  566    HA   TYR  66           HA       TYR  66 107.776 -20.146  -3.182
  567    HB2  TYR  66           HB2      TYR  66 108.573 -17.385  -2.436
  568    HB3  TYR  66           HB1      TYR  66 109.582 -18.698  -1.829
  569    HD1  TYR  66           HD1      TYR  66 108.408 -16.919  -4.820
  570    HD2  TYR  66           HD2      TYR  66 110.741 -20.223  -3.370
  571    HE1  TYR  66           HE1      TYR  66 109.468 -17.149  -7.051
  572    HE2  TYR  66           HE2      TYR  66 111.802 -20.450  -5.601
  573    HH   TYR  66           HH       TYR  66 111.723 -19.800  -7.749
  574    H    TYR  67           HN       TYR  67 106.623 -18.164  -0.495
  575    HA   TYR  67           HA       TYR  67 107.702 -19.746   1.579
  576    HB2  TYR  67           HB2      TYR  67 106.847 -17.455   1.917
  577    HB3  TYR  67           HB1      TYR  67 105.212 -18.035   1.623
  578    HD1  TYR  67           HD1      TYR  67 103.929 -18.528   3.507
  579    HD2  TYR  67           HD2      TYR  67 108.198 -18.982   3.696
  580    HE1  TYR  67           HE1      TYR  67 103.757 -19.206   5.881
  581    HE2  TYR  67           HE2      TYR  67 108.021 -19.658   6.073
  582    HH   TYR  67           HH       TYR  67 105.744 -19.053   7.992
  583    H    ASN  68           HN       ASN  68 104.608 -19.856  -0.127
  584    HA   ASN  68           HA       ASN  68 103.342 -21.795   1.470
  585    HB2  ASN  68           HB2      ASN  68 103.024 -20.990  -1.415
  586    HB3  ASN  68           HB1      ASN  68 102.037 -22.257  -0.688
  587   HD21  ASN  68          HD21      ASN  68 102.748 -20.155   1.799
  588   HD22  ASN  68          HD22      ASN  68 101.384 -19.154   1.706
  589    H    THR  69           HN       THR  69 105.455 -22.129  -1.366
  590    HA   THR  69           HA       THR  69 105.165 -24.843  -1.888
  591    HB   THR  69           HB       THR  69 107.464 -24.766  -2.796
  592    HG1  THR  69           HG1      THR  69 108.613 -23.568  -1.404
  593   HG21  THR  69          HG21      THR  69 105.332 -22.883  -3.390
  594   HG22  THR  69          HG22      THR  69 106.383 -23.765  -4.499
  595   HG23  THR  69          HG23      THR  69 106.908 -22.223  -3.824
  596    H    PHE  70           HN       PHE  70 106.662 -23.306   0.833
  597    HA   PHE  70           HA       PHE  70 108.046 -25.723   1.634
  598    HB2  PHE  70           HB2      PHE  70 107.702 -23.002   2.891
  599    HB3  PHE  70           HB1      PHE  70 108.498 -24.331   3.733
  600    HD1  PHE  70           HD1      PHE  70 108.846 -21.743   1.240
  601    HD2  PHE  70           HD2      PHE  70 110.496 -25.458   2.622
  602    HE1  PHE  70           HE1      PHE  70 110.944 -21.267   0.008
  603    HE2  PHE  70           HE2      PHE  70 112.594 -24.985   1.387
  604    HZ   PHE  70           HZ       PHE  70 112.818 -22.889   0.080
  605    H    GLY  71           HN       GLY  71 104.961 -25.260   1.441
  606    HA2  GLY  71           HA2      GLY  71 103.063 -25.753   2.675
  607    HA3  GLY  71           HA1      GLY  71 104.016 -27.164   3.125
  608    HA   PRO  72           HA       PRO  72 104.814 -24.155   6.720
  609    HB2  PRO  72           HB2      PRO  72 103.941 -21.576   6.546
  610    HB3  PRO  72           HB1      PRO  72 105.506 -22.114   5.911
  611    HG2  PRO  72           HG2      PRO  72 103.004 -21.481   4.469
  612    HG3  PRO  72           HG1      PRO  72 104.689 -21.309   3.965
  613    HD2  PRO  72           HD2      PRO  72 102.982 -23.370   3.179
  614    HD3  PRO  72           HD1      PRO  72 104.749 -23.366   3.039
  615    H    GLU  73           HN       GLU  73 103.552 -24.566   8.456
  616    HA   GLU  73           HA       GLU  73 100.656 -24.558   8.155
  617    HB2  GLU  73           HB2      GLU  73 102.572 -25.588  10.218
  618    HB3  GLU  73           HB1      GLU  73 100.852 -25.454  10.568
  619    HG2  GLU  73           HG2      GLU  73 100.315 -26.867   8.642
  620    HG3  GLU  73           HG1      GLU  73 102.019 -26.941   8.195
  621    H    LYS  74           HN       LYS  74 103.177 -22.803   9.796
  622    HA   LYS  74           HA       LYS  74 101.602 -21.447  11.695
  623    HB2  LYS  74           HB2      LYS  74 104.028 -20.247  10.367
  624    HB3  LYS  74           HB1      LYS  74 103.450 -20.013  12.020
  625    HG2  LYS  74           HG2      LYS  74 104.631 -22.542  10.834
  626    HG3  LYS  74           HG1      LYS  74 105.334 -21.551  12.112
  627    HD2  LYS  74           HD2      LYS  74 103.141 -22.039  13.405
  628    HD3  LYS  74           HD1      LYS  74 102.904 -23.328  12.217
  629    HE2  LYS  74           HE2      LYS  74 105.121 -24.262  12.800
  630    HE3  LYS  74           HE1      LYS  74 105.325 -23.000  14.016
  631    HZ1  LYS  74           HZ1      LYS  74 103.151 -23.838  14.965
  632    HZ2  LYS  74           HZ2      LYS  74 104.506 -24.844  15.168
  633    HZ3  LYS  74           HZ3      LYS  74 103.349 -25.201  13.975
  634    H    VAL  75           HN       VAL  75 102.601 -20.491   8.388
  635    HA   VAL  75           HA       VAL  75 102.046 -18.498   7.256
  636    HB   VAL  75           HB       VAL  75  99.444 -19.974   7.646
  637   HG11  VAL  75          HG11      VAL  75  98.691 -18.023   6.680
  638   HG12  VAL  75          HG12      VAL  75  99.258 -18.835   5.220
  639   HG13  VAL  75          HG13      VAL  75 100.272 -17.626   6.006
  640   HG21  VAL  75          HG21      VAL  75 100.096 -21.266   5.793
  641   HG22  VAL  75          HG22      VAL  75 101.622 -21.064   6.655
  642   HG23  VAL  75          HG23      VAL  75 101.267 -20.059   5.252
  643    HA   PRO  76           HA       PRO  76 100.696 -16.131  11.021
  644    HB2  PRO  76           HB2      PRO  76 102.391 -14.108   9.627
  645    HB3  PRO  76           HB1      PRO  76 102.370 -14.570  11.341
  646    HG2  PRO  76           HG2      PRO  76 104.341 -15.346   9.745
  647    HG3  PRO  76           HG1      PRO  76 103.693 -16.429  10.991
  648    HD2  PRO  76           HD2      PRO  76 103.222 -16.453   8.037
  649    HD3  PRO  76           HD1      PRO  76 103.411 -17.823   9.158
  650    H    VAL  77           HN       VAL  77  98.788 -15.177  10.953
  651    HA   VAL  77           HA       VAL  77  97.705 -14.176   8.450
  652    HB   VAL  77           HB       VAL  77  96.505 -14.329  11.222
  653   HG11  VAL  77          HG11      VAL  77  94.391 -14.144   9.559
  654   HG12  VAL  77          HG12      VAL  77  95.551 -13.174   8.653
  655   HG13  VAL  77          HG13      VAL  77  95.136 -12.735  10.311
  656   HG21  VAL  77          HG21      VAL  77  95.373 -15.960   9.036
  657   HG22  VAL  77          HG22      VAL  77  95.810 -16.454  10.670
  658   HG23  VAL  77          HG23      VAL  77  97.045 -16.393   9.407
  659    H    THR  78           HN       THR  78  99.216 -12.876  11.257
  660    HA   THR  78           HA       THR  78  98.180 -10.351  11.525
  661    HB   THR  78           HB       THR  78 100.360  -9.662  12.332
  662    HG1  THR  78           HG1      THR  78 102.141 -10.534  11.601
  663   HG21  THR  78          HG21      THR  78 100.095 -11.005  14.119
  664   HG22  THR  78          HG22      THR  78 100.757 -12.371  13.222
  665   HG23  THR  78          HG23      THR  78  99.029 -12.029  13.157
  666    H    ALA  79           HN       ALA  79 100.024 -11.638   8.867
  667    HA   ALA  79           HA       ALA  79 100.955  -9.300   7.668
  668    HB1  ALA  79           HB1      ALA  79 100.443 -12.067   6.879
  669    HB2  ALA  79           HB2      ALA  79 101.778 -10.996   6.440
  670    HB3  ALA  79           HB3      ALA  79 100.257 -10.921   5.549
  671    H    PHE  80           HN       PHE  80  97.758 -10.589   7.901
  672    HA   PHE  80           HA       PHE  80  96.549  -9.279   5.701
  673    HB2  PHE  80           HB2      PHE  80  95.572 -11.197   7.064
  674    HB3  PHE  80           HB1      PHE  80  95.156  -9.996   8.287
  675    HD1  PHE  80           HD1      PHE  80  94.904 -10.510   4.581
  676    HD2  PHE  80           HD2      PHE  80  93.058  -8.961   8.138
  677    HE1  PHE  80           HE1      PHE  80  92.888  -9.904   3.271
  678    HE2  PHE  80           HE2      PHE  80  91.041  -8.357   6.827
  679    HZ   PHE  80           HZ       PHE  80  90.956  -8.828   4.394
  680    H    SER  81           HN       SER  81  97.121  -8.333   9.074
  681    HA   SER  81           HA       SER  81  95.581  -5.971   9.055
  682    HB2  SER  81           HB2      SER  81  98.004  -6.776  10.668
  683    HB3  SER  81           HB1      SER  81  97.070  -5.313  10.968
  684    HG   SER  81           HG       SER  81  95.900  -6.623  12.135
  685    H    TYR  82           HN       TYR  82  98.943  -6.639   8.158
  686    HA   TYR  82           HA       TYR  82  99.855  -4.007   7.885
  687    HB2  TYR  82           HB2      TYR  82 100.630  -6.645   6.791
  688    HB3  TYR  82           HB1      TYR  82 101.208  -5.238   5.907
  689    HD1  TYR  82           HD1      TYR  82 101.347  -7.074   9.096
  690    HD2  TYR  82           HD2      TYR  82 102.707  -3.619   6.934
  691    HE1  TYR  82           HE1      TYR  82 103.093  -6.690  10.815
  692    HE2  TYR  82           HE2      TYR  82 104.458  -3.237   8.654
  693    HH   TYR  82           HH       TYR  82 105.594  -4.269  10.383
  694    H    TRP  83           HN       TRP  83  98.404  -6.152   5.416
  695    HA   TRP  83           HA       TRP  83  98.461  -4.285   3.312
  696    HB2  TRP  83           HB2      TRP  83  98.014  -6.563   2.785
  697    HB3  TRP  83           HB1      TRP  83  96.632  -6.615   3.878
  698    HD1  TRP  83           HD1      TRP  83  97.713  -4.574   0.763
  699    HE1  TRP  83           HE1      TRP  83  95.621  -4.167  -0.687
  700    HE3  TRP  83           HE3      TRP  83  94.166  -6.805   3.683
  701    HZ2  TRP  83           HZ2      TRP  83  92.814  -4.715  -0.618
  702    HZ3  TRP  83           HZ3      TRP  83  91.794  -6.848   2.967
  703    HH2  TRP  83           HH2      TRP  83  91.114  -5.807   0.823
  704    H    ASN  84           HN       ASN  84  95.969  -4.926   5.759
  705    HA   ASN  84           HA       ASN  84  94.042  -3.133   4.728
  706    HB2  ASN  84           HB2      ASN  84  94.529  -4.268   7.483
  707    HB3  ASN  84           HB1      ASN  84  93.178  -3.194   7.133
  708   HD21  ASN  84          HD21      ASN  84  92.824  -5.943   7.945
  709   HD22  ASN  84          HD22      ASN  84  92.128  -6.782   6.643
  710    H    LEU  85           HN       LEU  85  96.605  -2.684   7.192
  711    HA   LEU  85           HA       LEU  85  95.875  -0.032   7.842
  712    HB2  LEU  85           HB2      LEU  85  97.254  -1.492   9.288
  713    HB3  LEU  85           HB1      LEU  85  98.547  -1.422   8.091
  714    HG   LEU  85           HG       LEU  85  98.616   1.047   8.331
  715   HD11  LEU  85          HD11      LEU  85  96.300   0.462  10.118
  716   HD12  LEU  85          HD12      LEU  85  96.601   1.860   9.086
  717   HD13  LEU  85          HD13      LEU  85  97.417   1.721  10.643
  718   HD21  LEU  85          HD21      LEU  85  99.931  -0.636   9.774
  719   HD22  LEU  85          HD22      LEU  85  98.823  -0.192  11.070
  720   HD23  LEU  85          HD23      LEU  85  99.854   1.034  10.336
  721    H    ILE  86           HN       ILE  86  98.533  -1.351   5.847
  722    HA   ILE  86           HA       ILE  86  99.496   1.099   4.910
  723    HB   ILE  86           HB       ILE  86  99.769  -1.722   4.089
  724   HG12  ILE  86          HG12      ILE  86 101.953   0.323   4.001
  725   HG13  ILE  86          HG11      ILE  86 101.286  -0.086   5.586
  726   HG21  ILE  86          HG21      ILE  86 101.103  -0.891   2.049
  727   HG22  ILE  86          HG22      ILE  86 100.168   0.591   2.201
  728   HG23  ILE  86          HG23      ILE  86  99.341  -0.933   1.900
  729   HD11  ILE  86          HD11      ILE  86 101.705  -2.465   5.157
  730   HD12  ILE  86          HD12      ILE  86 103.199  -1.542   4.988
  731   HD13  ILE  86          HD13      ILE  86 102.321  -2.077   3.551
  732    H    LYS  87           HN       LYS  87  96.944  -0.985   3.688
  733    HA   LYS  87           HA       LYS  87  96.469   0.188   1.229
  734    HB2  LYS  87           HB2      LYS  87  95.238  -1.752   1.780
  735    HB3  LYS  87           HB1      LYS  87  94.607  -1.029   3.259
  736    HG2  LYS  87           HG2      LYS  87  93.197   0.477   2.043
  737    HG3  LYS  87           HG1      LYS  87  93.986   0.078   0.508
  738    HD2  LYS  87           HD2      LYS  87  93.144  -2.242   0.697
  739    HD3  LYS  87           HD1      LYS  87  92.344  -1.819   2.212
  740    HE2  LYS  87           HE2      LYS  87  90.987  -0.134   1.044
  741    HE3  LYS  87           HE1      LYS  87  91.799  -0.519  -0.474
  742    HZ1  LYS  87           HZ1      LYS  87  90.586  -2.355  -0.743
  743    HZ2  LYS  87           HZ2      LYS  87  89.534  -1.683   0.410
  744    HZ3  LYS  87           HZ3      LYS  87  90.713  -2.811   0.886
  745    H    GLU  88           HN       GLU  88  95.087   1.162   4.398
  746    HA   GLU  88           HA       GLU  88  93.904   3.487   3.184
  747    HB2  GLU  88           HB2      GLU  88  92.676   3.620   5.096
  748    HB3  GLU  88           HB1      GLU  88  93.153   1.927   5.190
  749    HG2  GLU  88           HG2      GLU  88  93.654   2.713   7.334
  750    HG3  GLU  88           HG1      GLU  88  95.212   2.799   6.529
  751    H    LEU  89           HN       LEU  89  96.894   2.686   4.621
  752    HA   LEU  89           HA       LEU  89  97.528   5.024   5.996
  753    HB2  LEU  89           HB2      LEU  89  98.789   2.840   5.958
  754    HB3  LEU  89           HB1      LEU  89  99.472   3.343   4.424
  755    HG   LEU  89           HG       LEU  89 100.284   5.411   5.560
  756   HD11  LEU  89          HD11      LEU  89  99.173   5.809   7.518
  757   HD12  LEU  89          HD12      LEU  89 100.492   4.853   8.186
  758   HD13  LEU  89          HD13      LEU  89  98.934   4.097   7.857
  759   HD21  LEU  89          HD21      LEU  89 101.821   3.775   7.181
  760   HD22  LEU  89          HD22      LEU  89 102.149   4.154   5.494
  761   HD23  LEU  89          HD23      LEU  89 101.262   2.687   5.910
  762    H    ILE  90           HN       ILE  90  97.932   4.146   2.610
  763    HA   ILE  90           HA       ILE  90  99.409   6.404   1.836
  764    HB   ILE  90           HB       ILE  90  97.503   4.653   0.251
  765   HG12  ILE  90          HG12      ILE  90 100.513   4.825   0.534
  766   HG13  ILE  90          HG11      ILE  90  99.479   3.527   1.101
  767   HG21  ILE  90          HG21      ILE  90  99.371   6.878  -0.695
  768   HG22  ILE  90          HG22      ILE  90  97.618   6.838  -0.872
  769   HG23  ILE  90          HG23      ILE  90  98.606   5.708  -1.774
  770   HD11  ILE  90          HD11      ILE  90 100.018   4.305  -1.778
  771   HD12  ILE  90          HD12      ILE  90  98.758   3.168  -1.306
  772   HD13  ILE  90          HD13      ILE  90 100.451   2.792  -0.995
  773    H    ASP  91           HN       ASP  91  95.912   5.808   2.046
  774    HA   ASP  91           HA       ASP  91  94.784   7.910   0.762
  775    HB2  ASP  91           HB2      ASP  91  92.896   7.550   2.035
  776    HB3  ASP  91           HB1      ASP  91  93.790   6.085   2.438
  777    H    LYS  92           HN       LYS  92  96.797   8.082   3.584
  778    HA   LYS  92           HA       LYS  92  96.048  10.638   4.528
  779    HB2  LYS  92           HB2      LYS  92  98.625   9.078   4.722
  780    HB3  LYS  92           HB1      LYS  92  98.392  10.640   5.508
  781    HG2  LYS  92           HG2      LYS  92  96.417   9.726   6.699
  782    HG3  LYS  92           HG1      LYS  92  96.700   8.158   5.941
  783    HD2  LYS  92           HD2      LYS  92  98.931   8.054   6.989
  784    HD3  LYS  92           HD1      LYS  92  98.648   9.617   7.752
  785    HE2  LYS  92           HE2      LYS  92  96.689   8.677   8.939
  786    HE3  LYS  92           HE1      LYS  92  97.005   7.107   8.201
  787    HZ1  LYS  92           HZ1      LYS  92  98.293   8.369  10.427
  788    HZ2  LYS  92           HZ2      LYS  92  99.401   7.812   9.266
  789    HZ3  LYS  92           HZ3      LYS  92  98.286   6.737   9.965
  790    H    LYS  93           HN       LYS  93  96.556  12.647   3.892
  791    HA   LYS  93           HA       LYS  93  98.064  12.934   1.393
  792    HB2  LYS  93           HB2      LYS  93  96.291  14.854   2.921
  793    HB3  LYS  93           HB1      LYS  93  97.124  15.247   1.417
  794    HG2  LYS  93           HG2      LYS  93  95.940  13.432   0.262
  795    HG3  LYS  93           HG1      LYS  93  95.129  12.989   1.764
  796    HD2  LYS  93           HD2      LYS  93  94.076  15.219   1.857
  797    HD3  LYS  93           HD1      LYS  93  94.883  15.663   0.353
  798    HE2  LYS  93           HE2      LYS  93  93.720  13.829  -0.818
  799    HE3  LYS  93           HE1      LYS  93  92.913  13.381   0.684
  800    HZ1  LYS  93           HZ1      LYS  93  91.793  14.987  -1.043
  801    HZ2  LYS  93           HZ2      LYS  93  92.704  16.158  -0.213
  802    HZ3  LYS  93           HZ3      LYS  93  91.577  15.201   0.626
  803    H    GLU  94           HN       GLU  94  98.543  13.201   4.716
  804    HA   GLU  94           HA       GLU  94 100.457  15.392   4.598
  805    HB2  GLU  94           HB2      GLU  94  99.671  13.522   6.847
  806    HB3  GLU  94           HB1      GLU  94 100.765  14.895   7.012
  807    HG2  GLU  94           HG2      GLU  94  97.905  15.100   6.031
  808    HG3  GLU  94           HG1      GLU  94  98.413  15.429   7.686
  809    H    VAL  95           HN       VAL  95 100.733  12.640   3.230
  810    HA   VAL  95           HA       VAL  95 102.887  11.265   4.435
  811    HB   VAL  95           HB       VAL  95 102.181  11.390   1.488
  812   HG11  VAL  95          HG11      VAL  95 103.622   9.279   3.124
  813   HG12  VAL  95          HG12      VAL  95 104.407  10.406   2.017
  814   HG13  VAL  95          HG13      VAL  95 103.281   9.201   1.396
  815   HG21  VAL  95          HG21      VAL  95 101.334   9.151   3.272
  816   HG22  VAL  95          HG22      VAL  95 100.544   9.804   1.837
  817   HG23  VAL  95          HG23      VAL  95 100.421  10.654   3.375
  818    H    ASN  96           HN       ASN  96 105.063  11.457   4.245
  819    HA   ASN  96           HA       ASN  96 106.306  13.836   4.056
  820    HB2  ASN  96           HB2      ASN  96 107.161  11.078   3.861
  821    HB3  ASN  96           HB1      ASN  96 108.152  12.118   2.838
  822   HD21  ASN  96          HD21      ASN  96 106.645  12.436   6.112
  823   HD22  ASN  96          HD22      ASN  96 108.054  13.025   6.853
  824    HA   PRO  97           HA       PRO  97 106.476  15.657   0.054
  825    HB2  PRO  97           HB2      PRO  97 109.405  15.138  -0.037
  826    HB3  PRO  97           HB1      PRO  97 108.516  16.653  -0.280
  827    HG2  PRO  97           HG2      PRO  97 109.863  16.043   1.993
  828    HG3  PRO  97           HG1      PRO  97 108.467  17.129   1.931
  829    HD2  PRO  97           HD2      PRO  97 108.659  14.446   3.110
  830    HD3  PRO  97           HD1      PRO  97 107.406  15.687   3.326
  831    H    GLN  98           HN       GLN  98 107.883  12.511   0.592
  832    HA   GLN  98           HA       GLN  98 108.646  11.630  -1.871
  833    HB2  GLN  98           HB2      GLN  98 108.299   9.480  -1.082
  834    HB3  GLN  98           HB1      GLN  98 108.327  10.389   0.429
  835    HG2  GLN  98           HG2      GLN  98 105.774  10.639   0.080
  836    HG3  GLN  98           HG1      GLN  98 105.942   9.309  -1.065
  837   HE21  GLN  98          HE21      GLN  98 105.047   7.571   0.111
  838   HE22  GLN  98          HE22      GLN  98 105.607   7.076   1.634
  839    H    VAL  99           HN       VAL  99 105.562  12.825  -1.047
  840    HA   VAL  99           HA       VAL  99 103.912  11.359  -2.807
  841    HB   VAL  99           HB       VAL  99 103.711  14.232  -1.874
  842   HG11  VAL  99          HG11      VAL  99 101.840  12.424  -3.393
  843   HG12  VAL  99          HG12      VAL  99 102.262  14.104  -3.723
  844   HG13  VAL  99          HG13      VAL  99 101.211  13.710  -2.363
  845   HG21  VAL  99          HG21      VAL  99 102.618  13.439  -0.005
  846   HG22  VAL  99          HG22      VAL  99 103.683  12.063  -0.297
  847   HG23  VAL  99          HG23      VAL  99 102.006  12.011  -0.840
  848    H    MET 100           HN       MET 100 105.724  14.395  -3.281
  849    HA   MET 100           HA       MET 100 104.926  14.782  -5.985
  850    HB2  MET 100           HB2      MET 100 107.333  15.801  -4.457
  851    HB3  MET 100           HB1      MET 100 106.844  16.370  -6.053
  852    HG2  MET 100           HG2      MET 100 105.031  16.429  -3.627
  853    HG3  MET 100           HG1      MET 100 106.004  17.804  -4.146
  854    HE1  MET 100           HE1      MET 100 105.558  17.660  -7.639
  855    HE2  MET 100           HE2      MET 100 106.138  18.646  -6.300
  856    HE3  MET 100           HE3      MET 100 104.706  19.145  -7.194
  857    H    ALA 101           HN       ALA 101 107.700  13.212  -4.477
  858    HA   ALA 101           HA       ALA 101 109.004  12.620  -6.983
  859    HB1  ALA 101           HB1      ALA 101 109.487  11.720  -4.129
  860    HB2  ALA 101           HB2      ALA 101 110.438  12.868  -5.073
  861    HB3  ALA 101           HB3      ALA 101 110.458  11.152  -5.493
  862    H    ALA 102           HN       ALA 102 106.533  11.231  -5.134
  863    HA   ALA 102           HA       ALA 102 106.890   8.530  -6.180
  864    HB1  ALA 102           HB1      ALA 102 106.103   8.627  -3.921
  865    HB2  ALA 102           HB2      ALA 102 104.739   8.095  -4.917
  866    HB3  ALA 102           HB3      ALA 102 104.816   9.763  -4.356
  867    H    VAL 103           HN       VAL 103 104.637  11.243  -6.524
  868    HA   VAL 103           HA       VAL 103 102.669  10.250  -8.107
  869    HB   VAL 103           HB       VAL 103 104.158  12.863  -8.298
  870   HG11  VAL 103          HG11      VAL 103 102.053  13.518  -9.689
  871   HG12  VAL 103          HG12      VAL 103 101.923  11.790 -10.013
  872   HG13  VAL 103          HG13      VAL 103 103.368  12.674 -10.507
  873   HG21  VAL 103          HG21      VAL 103 102.514  13.654  -6.914
  874   HG22  VAL 103          HG22      VAL 103 102.365  11.954  -6.469
  875   HG23  VAL 103          HG23      VAL 103 101.266  12.654  -7.658
  876    H    ALA 104           HN       ALA 104 106.013  10.389  -8.887
  877    HA   ALA 104           HA       ALA 104 106.176  10.543 -11.608
  878    HB1  ALA 104           HB1      ALA 104 107.602   8.782  -9.631
  879    HB2  ALA 104           HB2      ALA 104 108.209  10.193 -10.497
  880    HB3  ALA 104           HB3      ALA 104 107.961   8.672 -11.354
  881    H    GLN 105           HN       GLN 105 104.447   8.217  -9.788
  882    HA   GLN 105           HA       GLN 105 104.465   5.974 -11.452
  883    HB2  GLN 105           HB2      GLN 105 102.266   7.105  -9.711
  884    HB3  GLN 105           HB1      GLN 105 102.177   5.529 -10.498
  885    HG2  GLN 105           HG2      GLN 105 104.194   4.794  -9.327
  886    HG3  GLN 105           HG1      GLN 105 104.370   6.385  -8.590
  887   HE21  GLN 105          HE21      GLN 105 104.217   4.558  -6.679
  888   HE22  GLN 105          HE22      GLN 105 102.663   4.415  -6.012
  889    H    THR 106           HN       THR 106 102.493   8.914 -11.607
  890    HA   THR 106           HA       THR 106 101.530   8.053 -14.273
  891    HB   THR 106           HB       THR 106 100.172   9.905 -12.298
  892    HG1  THR 106           HG1      THR 106  98.651   7.926 -12.706
  893   HG21  THR 106          HG21      THR 106  98.254   9.495 -13.976
  894   HG22  THR 106          HG22      THR 106  99.515   8.949 -15.082
  895   HG23  THR 106          HG23      THR 106  99.537  10.602 -14.467
  896    H    GLU 107           HN       GLU 107 102.095   9.281 -15.951
  897    HA   GLU 107           HA       GLU 107 102.878  12.083 -15.485
  898    HB2  GLU 107           HB2      GLU 107 104.493  10.007 -16.980
  899    HB3  GLU 107           HB1      GLU 107 104.791  11.744 -17.072
  900    HG2  GLU 107           HG2      GLU 107 105.163  11.847 -14.655
  901    HG3  GLU 107           HG1      GLU 107 104.793  10.130 -14.502
  902    H    GLU 108           HN       GLU 108 102.548  13.469 -17.243
  903    HA   GLU 108           HA       GLU 108 100.409  12.804 -18.971
  904    HB2  GLU 108           HB2      GLU 108 102.397  15.083 -19.000
  905    HB3  GLU 108           HB1      GLU 108 101.030  14.975 -20.107
  906    HG2  GLU 108           HG2      GLU 108  99.468  14.945 -18.229
  907    HG3  GLU 108           HG1      GLU 108 100.809  14.942 -17.084
  908    H    ILE 109           HN       ILE 109 100.426  11.672 -20.789
  909    HA   ILE 109           HA       ILE 109 102.806  10.599 -21.898
  910    HB   ILE 109           HB       ILE 109 101.295   9.759 -23.696
  911   HG12  ILE 109          HG12      ILE 109  99.128  11.308 -22.224
  912   HG13  ILE 109          HG11      ILE 109  99.842  11.835 -23.746
  913   HG21  ILE 109          HG21      ILE 109  99.658   8.578 -22.082
  914   HG22  ILE 109          HG22      ILE 109 100.426   9.515 -20.804
  915   HG23  ILE 109          HG23      ILE 109 101.376   8.371 -21.756
  916   HD11  ILE 109          HD11      ILE 109  98.549  10.416 -24.927
  917   HD12  ILE 109          HD12      ILE 109  97.660  10.102 -23.436
  918   HD13  ILE 109          HD13      ILE 109  99.004   9.058 -23.898
  919    H    LEU 110           HN       LEU 110 101.216  13.586 -22.349
  920    HA   LEU 110           HA       LEU 110 102.813  14.127 -24.782
  921    HB2  LEU 110           HB2      LEU 110 100.982  15.900 -25.194
  922    HB3  LEU 110           HB1      LEU 110 100.579  14.217 -25.507
  923    HG   LEU 110           HG       LEU 110  99.658  14.142 -23.099
  924   HD11  LEU 110          HD11      LEU 110 100.519  16.100 -22.086
  925   HD12  LEU 110          HD12      LEU 110  98.821  16.461 -22.372
  926   HD13  LEU 110          HD13      LEU 110 100.053  17.117 -23.449
  927   HD21  LEU 110          HD21      LEU 110  97.512  15.088 -23.794
  928   HD22  LEU 110          HD22      LEU 110  98.248  14.194 -25.122
  929   HD23  LEU 110          HD23      LEU 110  98.303  15.956 -25.111
  930    H    LYS 111           HN       LYS 111 103.897  14.437 -22.248
  931    HA   LYS 111           HA       LYS 111 103.591  17.027 -21.156
  932    HB2  LYS 111           HB2      LYS 111 105.876  16.520 -20.141
  933    HB3  LYS 111           HB1      LYS 111 104.581  15.386 -19.759
  934    HG2  LYS 111           HG2      LYS 111 105.362  13.863 -21.516
  935    HG3  LYS 111           HG1      LYS 111 106.633  14.998 -21.966
  936    HD2  LYS 111           HD2      LYS 111 107.579  14.799 -19.673
  937    HD3  LYS 111           HD1      LYS 111 106.325  13.621 -19.280
  938    HE2  LYS 111           HE2      LYS 111 107.134  12.142 -21.072
  939    HE3  LYS 111           HE1      LYS 111 108.381  13.318 -21.487
  940    HZ1  LYS 111           HZ1      LYS 111 108.569  12.879 -18.758
  941    HZ2  LYS 111           HZ2      LYS 111 109.661  12.387 -19.963
  942    HZ3  LYS 111           HZ3      LYS 111 108.412  11.347 -19.469
  943    H    SER 112           HN       SER 112 105.706  15.681 -23.630
  944    HA   SER 112           HA       SER 112 106.480  18.425 -24.352
  945    HB2  SER 112           HB2      SER 112 108.327  16.056 -24.062
  946    HB3  SER 112           HB1      SER 112 108.772  17.546 -24.889
  947    HG   SER 112           HG       SER 112 109.173  17.209 -22.466
  948    H    ASN 113           HN       ASN 113 107.481  18.489 -26.579
  949    HA   ASN 113           HA       ASN 113 105.693  17.356 -28.458
  950    HB2  ASN 113           HB2      ASN 113 106.857  19.437 -28.945
  951    HB3  ASN 113           HB1      ASN 113 108.416  18.615 -28.870
  952   HD21  ASN 113          HD21      ASN 113 106.254  19.786 -31.075
  953   HD22  ASN 113          HD22      ASN 113 106.546  18.717 -32.360
  954    H    SER 114           HN       SER 114 108.949  16.468 -27.425
  955    HA   SER 114           HA       SER 114 109.646  14.571 -29.296
  956    HB2  SER 114           HB2      SER 114 110.935  13.460 -27.496
  957    HB3  SER 114           HB1      SER 114 111.135  15.209 -27.454
  958    HG   SER 114           HG       SER 114 110.299  15.177 -25.535
  959    H    GLN 115           HN       GLN 115 107.296  14.322 -26.702
  960    HA   GLN 115           HA       GLN 115 106.894  11.585 -26.563
  961    HB2  GLN 115           HB2      GLN 115 104.855  13.822 -26.420
  962    HB3  GLN 115           HB1      GLN 115 104.551  12.155 -25.937
  963    HG2  GLN 115           HG2      GLN 115 106.784  13.845 -24.787
  964    HG3  GLN 115           HG1      GLN 115 105.198  13.689 -24.035
  965   HE21  GLN 115          HE21      GLN 115 108.202  12.537 -23.611
  966   HE22  GLN 115          HE22      GLN 115 107.863  10.950 -23.111
  967    H    THR 116           HN       THR 116 105.995  10.083 -27.850
  968    HA   THR 116           HA       THR 116 105.653  10.549 -30.612
  969    HB   THR 116           HB       THR 116 104.363   8.249 -29.126
  970    HG1  THR 116           HG1      THR 116 106.659   7.440 -29.800
  971   HG21  THR 116          HG21      THR 116 104.178   8.728 -31.688
  972   HG22  THR 116          HG22      THR 116 104.605   7.100 -31.159
  973   HG23  THR 116          HG23      THR 116 105.859   8.198 -31.735
  974    H    ASP 117           HN       ASP 117 103.279  10.240 -27.985
  975    HA   ASP 117           HA       ASP 117 100.933  10.335 -29.487
  976    HB2  ASP 117           HB2      ASP 117 101.528  11.434 -26.731
  977    HB3  ASP 117           HB1      ASP 117  99.908  11.331 -27.417
  978    H    LEU 118           HN       LEU 118  99.489  12.551 -28.644
  979    HA   LEU 118           HA       LEU 118 100.178  14.460 -30.616
  980    HB2  LEU 118           HB2      LEU 118  98.184  14.382 -28.370
  981    HB3  LEU 118           HB1      LEU 118  98.423  15.864 -29.297
  982    HG   LEU 118           HG       LEU 118  97.958  14.639 -31.386
  983   HD11  LEU 118          HD11      LEU 118  96.885  12.280 -30.935
  984   HD12  LEU 118          HD12      LEU 118  97.862  12.329 -29.468
  985   HD13  LEU 118          HD13      LEU 118  98.639  12.431 -31.048
  986   HD21  LEU 118          HD21      LEU 118  96.134  15.601 -29.757
  987   HD22  LEU 118          HD22      LEU 118  95.733  13.903 -29.501
  988   HD23  LEU 118          HD23      LEU 118  95.634  14.599 -31.119
  989    H    GLU 119           HN       GLU 119 101.083  16.517 -30.441
  990    HA   GLU 119           HA       GLU 119 103.116  16.891 -28.532
  991    HB2  GLU 119           HB2      GLU 119 101.745  18.878 -30.362
  992    HB3  GLU 119           HB1      GLU 119 103.227  19.203 -29.464
  993    HG2  GLU 119           HG2      GLU 119 104.357  17.355 -30.618
  994    HG3  GLU 119           HG1      GLU 119 102.871  16.971 -31.485
  995    H    HIS 120           HN       HIS 120 103.298  18.622 -26.952
  996    HA   HIS 120           HA       HIS 120 101.128  18.673 -25.134
  997    HB2  HIS 120           HB2      HIS 120 103.531  18.938 -24.504
  998    HB3  HIS 120           HB1      HIS 120 103.503  20.545 -25.229
  999    HD1  HIS 120           HD1      HIS 120 101.896  18.561 -22.426
 1000    HD2  HIS 120           HD2      HIS 120 102.345  22.528 -23.626
 1001    HE1  HIS 120           HE1      HIS 120 101.013  19.988 -20.529
 1002    HE2  HIS 120           HE2      HIS 120 101.282  22.409 -21.244
 1003    H    HIS 121           HN       HIS 121 102.364  21.048 -27.461
 1004    HA   HIS 121           HA       HIS 121 100.109  22.831 -26.836
 1005    HB2  HIS 121           HB2      HIS 121 102.635  23.254 -28.449
 1006    HB3  HIS 121           HB1      HIS 121 101.348  24.451 -28.303
 1007    HD1  HIS 121           HD1      HIS 121 104.271  23.063 -26.523
 1008    HD2  HIS 121           HD2      HIS 121 100.957  25.402 -25.561
 1009    HE1  HIS 121           HE1      HIS 121 104.760  24.106 -24.267
 1010    HE2  HIS 121           HE2      HIS 121 102.749  25.535 -23.667
 1011    H    HIS 122           HN       HIS 122  98.422  23.042 -28.165
 1012    HA   HIS 122           HA       HIS 122  98.646  22.336 -30.987
 1013    HB2  HIS 122           HB2      HIS 122  96.702  20.809 -30.873
 1014    HB3  HIS 122           HB1      HIS 122  98.080  20.197 -29.958
 1015    HD1  HIS 122           HD1      HIS 122  97.993  20.673 -27.295
 1016    HD2  HIS 122           HD2      HIS 122  94.397  21.160 -29.348
 1017    HE1  HIS 122           HE1      HIS 122  96.163  20.674 -25.544
 1018    HE2  HIS 122           HE2      HIS 122  93.964  20.970 -26.780
 1019    H    HIS 123           HN       HIS 123  96.634  22.869 -32.178
 1020    HA   HIS 123           HA       HIS 123  94.990  24.911 -30.825
 1021    HB2  HIS 123           HB2      HIS 123  96.468  25.179 -33.442
 1022    HB3  HIS 123           HB1      HIS 123  95.097  26.205 -33.022
 1023    HD1  HIS 123           HD1      HIS 123  95.428  27.958 -31.170
 1024    HD2  HIS 123           HD2      HIS 123  98.812  25.616 -31.836
 1025    HE1  HIS 123           HE1      HIS 123  97.326  29.066 -29.910
 1026    HE2  HIS 123           HE2      HIS 123  99.396  27.650 -30.306
 1027    H    HIS 124           HN       HIS 124  92.867  24.959 -31.408
 1028    HA   HIS 124           HA       HIS 124  91.971  23.360 -33.694
 1029    HB2  HIS 124           HB2      HIS 124  91.994  21.871 -31.663
 1030    HB3  HIS 124           HB1      HIS 124  90.808  22.952 -30.931
 1031    HD1  HIS 124           HD1      HIS 124  91.196  21.055 -34.230
 1032    HD2  HIS 124           HD2      HIS 124  88.227  22.200 -31.537
 1033    HE1  HIS 124           HE1      HIS 124  89.027  20.075 -35.096
 1034    HE2  HIS 124           HE2      HIS 124  87.207  20.765 -33.464
 1035    H    HIS 125           HN       HIS 125  90.104  24.105 -34.615
 1036    HA   HIS 125           HA       HIS 125  89.274  26.762 -33.946
 1037    HB2  HIS 125           HB2      HIS 125  89.295  25.899 -36.270
 1038    HB3  HIS 125           HB1      HIS 125  88.002  24.777 -35.846
 1039    HD1  HIS 125           HD1      HIS 125  88.686  28.515 -35.979
 1040    HD2  HIS 125           HD2      HIS 125  85.449  25.888 -35.939
 1041    HE1  HIS 125           HE1      HIS 125  86.617  29.922 -36.369
 1042    HE2  HIS 125           HE2      HIS 125  84.635  28.335 -36.348
  Start of MODEL    2
    1    H21  MYR   1          1H2       MYR   1 117.596   9.274   0.902
    2    H22  MYR   1          2H2       MYR   1 116.825   9.987   2.146
    3    H31  MYR   1          1H3       MYR   1 115.084  10.572   0.418
    4    H32  MYR   1          2H3       MYR   1 115.754   9.364  -0.444
    5    H41  MYR   1          1H4       MYR   1 114.918   7.796   0.861
    6    H42  MYR   1          2H4       MYR   1 115.118   8.675   2.216
    7    H51  MYR   1          1H5       MYR   1 113.190  10.017   1.434
    8    H52  MYR   1          2H5       MYR   1 112.902   8.800   0.392
    9    H61  MYR   1          1H6       MYR   1 112.618   7.288   2.155
   10    H62  MYR   1          2H6       MYR   1 113.043   8.422   3.246
   11    H71  MYR   1          1H7       MYR   1 111.054   9.630   2.734
   12    H72  MYR   1          2H7       MYR   1 110.616   8.448   1.701
   13    H81  MYR   1          1H8       MYR   1 110.892   7.108   3.935
   14    H82  MYR   1          2H8       MYR   1 110.324   8.532   4.483
   15    H91  MYR   1          1H9       MYR   1 108.316   8.259   3.486
   16    H92  MYR   1          2H9       MYR   1 108.892   7.201   2.391
   17   H101  MYR   1          1H10      MYR   1 109.017   6.259   5.036
   18   H102  MYR   1          2H10      MYR   1 107.498   6.482   4.494
   19   H111  MYR   1          1H11      MYR   1 108.538   5.122   2.500
   20   H112  MYR   1          2H11      MYR   1 109.329   4.466   3.760
   21   H121  MYR   1          1H12      MYR   1 107.350   3.776   4.751
   22   H122  MYR   1          2H12      MYR   1 106.451   4.653   3.717
   23   H131  MYR   1          1H13      MYR   1 107.143   3.223   1.925
   24   H132  MYR   1          2H13      MYR   1 107.989   2.319   2.980
   25   H141  MYR   1          1H14      MYR   1 106.099   1.123   2.872
   26   H142  MYR   1          2H14      MYR   1 105.750   2.088   4.143
   27   H143  MYR   1          3H14      MYR   1 105.161   2.444   2.662
   28    H    GLY   2           HN       GLY   2 119.264  10.362   0.998
   29    HA2  GLY   2           HA2      GLY   2 120.440  12.194   1.806
   30    HA3  GLY   2           HA1      GLY   2 119.067  13.216   1.392
   31    H    GLN   3           HN       GLN   3 119.083  14.324   3.360
   32    HA   GLN   3           HA       GLN   3 119.198  13.199   5.916
   33    HB2  GLN   3           HB2      GLN   3 117.712  15.675   5.003
   34    HB3  GLN   3           HB1      GLN   3 118.105  15.280   6.677
   35    HG2  GLN   3           HG2      GLN   3 120.140  15.633   4.458
   36    HG3  GLN   3           HG1      GLN   3 119.753  16.850   5.673
   37   HE21  GLN   3          HE21      GLN   3 122.151  14.782   5.037
   38   HE22  GLN   3          HE22      GLN   3 122.572  14.280   6.604
   39    H    GLU   4           HN       GLU   4 116.639  13.234   3.589
   40    HA   GLU   4           HA       GLU   4 114.354  12.992   5.128
   41    HB2  GLU   4           HB2      GLU   4 115.108  11.601   2.552
   42    HB3  GLU   4           HB1      GLU   4 113.491  11.543   3.252
   43    HG2  GLU   4           HG2      GLU   4 113.334  13.988   3.157
   44    HG3  GLU   4           HG1      GLU   4 114.975  14.083   2.520
   45    H    LEU   5           HN       LEU   5 117.008  10.808   4.840
   46    HA   LEU   5           HA       LEU   5 116.051   8.314   5.313
   47    HB2  LEU   5           HB2      LEU   5 118.470   8.986   5.257
   48    HB3  LEU   5           HB1      LEU   5 118.302   9.533   6.926
   49    HG   LEU   5           HG       LEU   5 117.496   7.227   7.527
   50   HD11  LEU   5          HD11      LEU   5 116.750   6.139   5.640
   51   HD12  LEU   5          HD12      LEU   5 118.413   5.552   5.636
   52   HD13  LEU   5          HD13      LEU   5 117.951   6.902   4.599
   53   HD21  LEU   5          HD21      LEU   5 119.697   7.355   8.150
   54   HD22  LEU   5          HD22      LEU   5 120.215   7.937   6.569
   55   HD23  LEU   5          HD23      LEU   5 119.916   6.217   6.820
   56    H    SER   6           HN       SER   6 116.300  10.925   7.700
   57    HA   SER   6           HA       SER   6 115.561   9.550  10.000
   58    HB2  SER   6           HB2      SER   6 114.767  11.716  10.846
   59    HB3  SER   6           HB1      SER   6 116.299  11.897   9.994
   60    HG   SER   6           HG       SER   6 114.488  13.406   9.481
   61    H    GLN   7           HN       GLN   7 113.577  10.733   7.348
   62    HA   GLN   7           HA       GLN   7 111.038  10.540   8.473
   63    HB2  GLN   7           HB2      GLN   7 111.510  11.459   6.220
   64    HB3  GLN   7           HB1      GLN   7 111.828   9.824   5.641
   65    HG2  GLN   7           HG2      GLN   7 109.558   9.141   6.137
   66    HG3  GLN   7           HG1      GLN   7 109.219  10.686   6.915
   67   HE21  GLN   7          HE21      GLN   7 107.842   9.531   4.534
   68   HE22  GLN   7          HE22      GLN   7 108.065  10.654   3.281
   69    H    HIS   8           HN       HIS   8 112.991   8.023   6.895
   70    HA   HIS   8           HA       HIS   8 111.128   5.930   7.064
   71    HB2  HIS   8           HB2      HIS   8 114.073   6.143   6.743
   72    HB3  HIS   8           HB1      HIS   8 113.443   4.584   7.276
   73    HD1  HIS   8           HD1      HIS   8 114.244   6.254   4.267
   74    HD2  HIS   8           HD2      HIS   8 110.991   3.936   5.461
   75    HE1  HIS   8           HE1      HIS   8 113.115   5.457   2.145
   76    HE2  HIS   8           HE2      HIS   8 111.130   4.043   2.856
   77    H    GLU   9           HN       GLU   9 113.751   6.835   9.304
   78    HA   GLU   9           HA       GLU   9 113.517   4.937  11.250
   79    HB2  GLU   9           HB2      GLU   9 115.108   6.846  11.308
   80    HB3  GLU   9           HB1      GLU   9 113.778   7.907  11.776
   81    HG2  GLU   9           HG2      GLU   9 113.387   6.552  13.791
   82    HG3  GLU   9           HG1      GLU   9 114.694   5.466  13.323
   83    H    ARG  10           HN       ARG  10 111.267   7.521  10.527
   84    HA   ARG  10           HA       ARG  10 109.665   7.069  12.898
   85    HB2  ARG  10           HB2      ARG  10 108.988   8.644  10.403
   86    HB3  ARG  10           HB1      ARG  10 108.175   8.740  11.967
   87    HG2  ARG  10           HG2      ARG  10 110.235   9.562  13.014
   88    HG3  ARG  10           HG1      ARG  10 111.092   9.416  11.479
   89    HD2  ARG  10           HD2      ARG  10 110.416  11.731  11.778
   90    HD3  ARG  10           HD1      ARG  10 109.470  11.026  10.472
   91    HE   ARG  10           HE       ARG  10 108.080  10.728  12.927
   92   HH11  ARG  10          HH11      ARG  10 106.329  12.117  13.336
   93   HH12  ARG  10          HH12      ARG  10 106.183  13.599  12.453
   94   HH21  ARG  10          HH21      ARG  10 109.064  13.086  10.593
   95   HH22  ARG  10          HH22      ARG  10 107.731  14.148  10.899
   96    H    TYR  11           HN       TYR  11 109.463   6.329   9.436
   97    HA   TYR  11           HA       TYR  11 106.931   5.175   9.348
   98    HB2  TYR  11           HB2      TYR  11 108.130   5.541   7.305
   99    HB3  TYR  11           HB1      TYR  11 109.451   4.496   7.825
  100    HD1  TYR  11           HD1      TYR  11 109.403   2.183   7.375
  101    HD2  TYR  11           HD2      TYR  11 105.790   4.487   7.067
  102    HE1  TYR  11           HE1      TYR  11 108.233   0.220   6.411
  103    HE2  TYR  11           HE2      TYR  11 104.620   2.524   6.104
  104    HH   TYR  11           HH       TYR  11 105.040  -0.139   6.293
  105    H    VAL  12           HN       VAL  12 110.058   3.621  10.055
  106    HA   VAL  12           HA       VAL  12 109.058   1.016  10.438
  107    HB   VAL  12           HB       VAL  12 111.511   2.430  11.481
  108   HG11  VAL  12          HG11      VAL  12 110.522  -0.384  11.954
  109   HG12  VAL  12          HG12      VAL  12 111.142   0.773  13.133
  110   HG13  VAL  12          HG13      VAL  12 112.242   0.003  11.989
  111   HG21  VAL  12          HG21      VAL  12 110.989   1.621   8.985
  112   HG22  VAL  12          HG22      VAL  12 111.506   0.069   9.645
  113   HG23  VAL  12          HG23      VAL  12 112.598   1.454   9.687
  114    H    GLU  13           HN       GLU  13 109.866   3.522  12.851
  115    HA   GLU  13           HA       GLU  13 108.917   2.062  15.083
  116    HB2  GLU  13           HB2      GLU  13 110.461   3.982  15.268
  117    HB3  GLU  13           HB1      GLU  13 109.166   5.061  14.747
  118    HG2  GLU  13           HG2      GLU  13 107.821   4.450  16.689
  119    HG3  GLU  13           HG1      GLU  13 109.032   3.272  17.191
  120    H    GLN  14           HN       GLN  14 107.389   4.424  12.935
  121    HA   GLN  14           HA       GLN  14 104.958   4.621  14.417
  122    HB2  GLN  14           HB2      GLN  14 105.740   6.330  12.779
  123    HB3  GLN  14           HB1      GLN  14 105.418   5.182  11.479
  124    HG2  GLN  14           HG2      GLN  14 103.507   6.687  11.741
  125    HG3  GLN  14           HG1      GLN  14 103.048   5.051  12.208
  126   HE21  GLN  14          HE21      GLN  14 101.539   5.408  13.875
  127   HE22  GLN  14          HE22      GLN  14 101.855   6.340  15.258
  128    H    LEU  15           HN       LEU  15 105.273   3.357  11.107
  129    HA   LEU  15           HA       LEU  15 103.013   1.960  10.799
  130    HB2  LEU  15           HB2      LEU  15 105.275   1.993   9.396
  131    HB3  LEU  15           HB1      LEU  15 105.478   0.412  10.151
  132    HG   LEU  15           HG       LEU  15 104.309   0.149   8.021
  133   HD11  LEU  15          HD11      LEU  15 102.188  -0.118  10.147
  134   HD12  LEU  15          HD12      LEU  15 103.631  -1.131  10.180
  135   HD13  LEU  15          HD13      LEU  15 102.538  -1.198   8.798
  136   HD21  LEU  15          HD21      LEU  15 103.226   2.619   8.594
  137   HD22  LEU  15          HD22      LEU  15 101.860   1.540   8.882
  138   HD23  LEU  15          HD23      LEU  15 102.663   1.548   7.311
  139    H    LYS  16           HN       LYS  16 105.831   0.726  12.591
  140    HA   LYS  16           HA       LYS  16 104.694  -1.750  13.329
  141    HB2  LYS  16           HB2      LYS  16 106.891  -0.055  14.508
  142    HB3  LYS  16           HB1      LYS  16 106.410  -1.588  15.236
  143    HG2  LYS  16           HG2      LYS  16 106.833  -2.742  13.097
  144    HG3  LYS  16           HG1      LYS  16 107.315  -1.211  12.365
  145    HD2  LYS  16           HD2      LYS  16 109.354  -2.259  13.007
  146    HD3  LYS  16           HD1      LYS  16 109.053  -1.040  14.245
  147    HE2  LYS  16           HE2      LYS  16 109.034  -2.631  15.831
  148    HE3  LYS  16           HE1      LYS  16 107.705  -3.448  15.007
  149    HZ1  LYS  16           HZ1      LYS  16 109.079  -5.003  14.265
  150    HZ2  LYS  16           HZ2      LYS  16 110.284  -4.356  15.272
  151    HZ3  LYS  16           HZ3      LYS  16 110.168  -3.858  13.651
  152    H    GLN  17           HN       GLN  17 104.712   1.418  14.923
  153    HA   GLN  17           HA       GLN  17 103.326   0.586  17.264
  154    HB2  GLN  17           HB2      GLN  17 103.864   3.231  15.949
  155    HB3  GLN  17           HB1      GLN  17 102.743   3.130  17.309
  156    HG2  GLN  17           HG2      GLN  17 104.457   2.144  18.718
  157    HG3  GLN  17           HG1      GLN  17 105.575   2.051  17.357
  158   HE21  GLN  17          HE21      GLN  17 106.730   3.436  19.279
  159   HE22  GLN  17          HE22      GLN  17 106.592   5.117  19.081
  160    H    ALA  18           HN       ALA  18 102.170   2.463  14.449
  161    HA   ALA  18           HA       ALA  18  99.463   2.459  15.003
  162    HB1  ALA  18           HB1      ALA  18 100.485   2.024  12.205
  163    HB2  ALA  18           HB2      ALA  18 100.751   3.552  13.046
  164    HB3  ALA  18           HB3      ALA  18  99.109   2.988  12.741
  165    H    LEU  19           HN       LEU  19 101.466  -0.207  14.281
  166    HA   LEU  19           HA       LEU  19  99.316  -1.908  13.309
  167    HB2  LEU  19           HB2      LEU  19 102.245  -2.092  13.580
  168    HB3  LEU  19           HB1      LEU  19 101.379  -3.600  13.879
  169    HG   LEU  19           HG       LEU  19 100.840  -1.869  11.457
  170   HD11  LEU  19          HD11      LEU  19 102.400  -3.108  10.203
  171   HD12  LEU  19          HD12      LEU  19 102.514  -4.376  11.423
  172   HD13  LEU  19          HD13      LEU  19 103.258  -2.803  11.714
  173   HD21  LEU  19          HD21      LEU  19  99.521  -4.070  12.595
  174   HD22  LEU  19          HD22      LEU  19 100.436  -4.744  11.246
  175   HD23  LEU  19          HD23      LEU  19  99.287  -3.434  10.966
  176    H    LYS  20           HN       LYS  20 101.404  -1.727  16.192
  177    HA   LYS  20           HA       LYS  20 100.486  -3.810  17.696
  178    HB2  LYS  20           HB2      LYS  20 102.221  -2.171  18.414
  179    HB3  LYS  20           HB1      LYS  20 100.937  -1.012  18.762
  180    HG2  LYS  20           HG2      LYS  20  99.966  -2.514  20.415
  181    HG3  LYS  20           HG1      LYS  20 101.136  -3.769  20.007
  182    HD2  LYS  20           HD2      LYS  20 102.973  -2.243  20.713
  183    HD3  LYS  20           HD1      LYS  20 101.764  -1.056  21.205
  184    HE2  LYS  20           HE2      LYS  20 101.911  -3.884  22.289
  185    HE3  LYS  20           HE1      LYS  20 102.589  -2.474  23.104
  186    HZ1  LYS  20           HZ1      LYS  20 100.138  -3.326  23.549
  187    HZ2  LYS  20           HZ2      LYS  20  99.810  -2.296  22.238
  188    HZ3  LYS  20           HZ3      LYS  20 100.554  -1.684  23.637
  189    H    THR  21           HN       THR  21  98.817  -0.795  17.001
  190    HA   THR  21           HA       THR  21  96.737  -1.007  18.888
  191    HB   THR  21           HB       THR  21  97.353   0.971  17.347
  192    HG1  THR  21           HG1      THR  21  95.397   1.758  17.755
  193   HG21  THR  21          HG21      THR  21  95.260  -0.148  15.523
  194   HG22  THR  21          HG22      THR  21  96.929  -0.681  15.319
  195   HG23  THR  21          HG23      THR  21  96.527   1.030  15.183
  196    H    ARG  22           HN       ARG  22  97.219  -2.484  15.742
  197    HA   ARG  22           HA       ARG  22  94.534  -3.483  15.501
  198    HB2  ARG  22           HB2      ARG  22  97.120  -4.070  14.061
  199    HB3  ARG  22           HB1      ARG  22  95.629  -4.945  13.707
  200    HG2  ARG  22           HG2      ARG  22  94.490  -2.792  13.246
  201    HG3  ARG  22           HG1      ARG  22  96.003  -1.940  13.552
  202    HD2  ARG  22           HD2      ARG  22  97.077  -3.186  11.712
  203    HD3  ARG  22           HD1      ARG  22  95.565  -4.033  11.404
  204    HE   ARG  22           HE       ARG  22  96.166  -1.251  10.747
  205   HH11  ARG  22          HH11      ARG  22  94.617  -0.254   9.417
  206   HH12  ARG  22          HH12      ARG  22  93.094  -1.030   9.139
  207   HH21  ARG  22          HH21      ARG  22  93.837  -3.786  11.109
  208   HH22  ARG  22          HH22      ARG  22  92.652  -3.029  10.096
  209    H    GLY  23           HN       GLY  23  97.146  -4.331  17.430
  210    HA2  GLY  23           HA2      GLY  23  96.852  -6.026  19.124
  211    HA3  GLY  23           HA1      GLY  23  95.956  -6.983  17.948
  212    H    VAL  24           HN       VAL  24  98.918  -5.312  17.131
  213    HA   VAL  24           HA       VAL  24 100.218  -7.931  16.731
  214    HB   VAL  24           HB       VAL  24 101.145  -5.321  15.550
  215   HG11  VAL  24          HG11      VAL  24 101.923  -6.971  13.770
  216   HG12  VAL  24          HG12      VAL  24 101.466  -8.257  14.888
  217   HG13  VAL  24          HG13      VAL  24 102.728  -7.107  15.333
  218   HG21  VAL  24          HG21      VAL  24  99.011  -5.307  14.643
  219   HG22  VAL  24          HG22      VAL  24  98.828  -7.056  14.786
  220   HG23  VAL  24          HG23      VAL  24  99.817  -6.375  13.494
  221    H    LYS  25           HN       LYS  25 102.653  -7.863  16.969
  222    HA   LYS  25           HA       LYS  25 103.358  -6.300  19.380
  223    HB2  LYS  25           HB2      LYS  25 104.311  -9.022  18.462
  224    HB3  LYS  25           HB1      LYS  25 105.005  -8.138  19.821
  225    HG2  LYS  25           HG2      LYS  25 102.801  -8.092  20.927
  226    HG3  LYS  25           HG1      LYS  25 102.100  -8.972  19.568
  227    HD2  LYS  25           HD2      LYS  25 103.640 -10.859  20.001
  228    HD3  LYS  25           HD1      LYS  25 104.317  -9.984  21.375
  229    HE2  LYS  25           HE2      LYS  25 102.078  -9.940  22.437
  230    HE3  LYS  25           HE1      LYS  25 101.426 -10.855  21.077
  231    HZ1  LYS  25           HZ1      LYS  25 103.270 -12.516  21.632
  232    HZ2  LYS  25           HZ2      LYS  25 101.908 -12.469  22.646
  233    HZ3  LYS  25           HZ3      LYS  25 103.357 -11.727  23.130
  234    H    VAL  26           HN       VAL  26 105.292  -5.210  19.438
  235    HA   VAL  26           HA       VAL  26 106.786  -5.102  16.886
  236    HB   VAL  26           HB       VAL  26 107.306  -2.774  17.419
  237   HG11  VAL  26          HG11      VAL  26 105.071  -1.845  17.130
  238   HG12  VAL  26          HG12      VAL  26 104.343  -3.326  17.754
  239   HG13  VAL  26          HG13      VAL  26 105.192  -3.344  16.208
  240   HG21  VAL  26          HG21      VAL  26 107.340  -2.298  19.640
  241   HG22  VAL  26          HG22      VAL  26 106.219  -3.605  20.024
  242   HG23  VAL  26          HG23      VAL  26 105.603  -2.050  19.464
  243    H    LYS  27           HN       LYS  27 108.297  -6.685  17.460
  244    HA   LYS  27           HA       LYS  27 110.021  -6.042  19.773
  245    HB2  LYS  27           HB2      LYS  27 108.807  -8.364  19.423
  246    HB3  LYS  27           HB1      LYS  27 110.166  -8.664  18.340
  247    HG2  LYS  27           HG2      LYS  27 111.605  -7.761  20.344
  248    HG3  LYS  27           HG1      LYS  27 110.184  -8.176  21.304
  249    HD2  LYS  27           HD2      LYS  27 111.681 -10.066  19.462
  250    HD3  LYS  27           HD1      LYS  27 111.769 -10.065  21.224
  251    HE2  LYS  27           HE2      LYS  27 109.255 -10.406  21.243
  252    HE3  LYS  27           HE1      LYS  27 109.353 -10.672  19.503
  253    HZ1  LYS  27           HZ1      LYS  27 109.452 -12.727  20.880
  254    HZ2  LYS  27           HZ2      LYS  27 110.948 -12.196  21.485
  255    HZ3  LYS  27           HZ3      LYS  27 110.767 -12.528  19.828
  256    H    TYR  28           HN       TYR  28 112.351  -6.564  19.465
  257    HA   TYR  28           HA       TYR  28 113.412  -5.189  17.231
  258    HB2  TYR  28           HB2      TYR  28 114.729  -7.026  19.242
  259    HB3  TYR  28           HB1      TYR  28 115.610  -6.060  18.058
  260    HD1  TYR  28           HD1      TYR  28 115.689  -3.622  18.218
  261    HD2  TYR  28           HD2      TYR  28 113.547  -5.973  21.106
  262    HE1  TYR  28           HE1      TYR  28 115.554  -1.654  19.721
  263    HE2  TYR  28           HE2      TYR  28 113.412  -4.004  22.609
  264    HH   TYR  28           HH       TYR  28 115.269  -1.466  22.481
  265    H    ALA  29           HN       ALA  29 112.918  -8.608  17.926
  266    HA   ALA  29           HA       ALA  29 114.412  -9.680  15.789
  267    HB1  ALA  29           HB1      ALA  29 113.471 -11.708  16.354
  268    HB2  ALA  29           HB2      ALA  29 111.883 -11.005  16.664
  269    HB3  ALA  29           HB3      ALA  29 113.179 -10.812  17.845
  270    H    ASP  30           HN       ASP  30 111.386  -8.029  15.880
  271    HA   ASP  30           HA       ASP  30 110.331  -9.084  13.425
  272    HB2  ASP  30           HB2      ASP  30 109.637  -6.533  14.900
  273    HB3  ASP  30           HB1      ASP  30 108.688  -7.277  13.615
  274    H    LEU  31           HN       LEU  31 112.217  -6.244  14.357
  275    HA   LEU  31           HA       LEU  31 112.131  -4.885  11.888
  276    HB2  LEU  31           HB2      LEU  31 114.052  -4.893  14.200
  277    HB3  LEU  31           HB1      LEU  31 114.410  -3.970  12.741
  278    HG   LEU  31           HG       LEU  31 111.791  -3.288  13.196
  279   HD11  LEU  31          HD11      LEU  31 111.432  -2.923  15.518
  280   HD12  LEU  31          HD12      LEU  31 113.118  -3.263  15.910
  281   HD13  LEU  31          HD13      LEU  31 112.048  -4.573  15.409
  282   HD21  LEU  31          HD21      LEU  31 114.288  -1.947  14.284
  283   HD22  LEU  31          HD22      LEU  31 112.732  -1.154  14.041
  284   HD23  LEU  31          HD23      LEU  31 113.642  -1.755  12.655
  285    H    LEU  32           HN       LEU  32 114.331  -7.366  13.139
  286    HA   LEU  32           HA       LEU  32 116.273  -7.321  11.149
  287    HB2  LEU  32           HB2      LEU  32 115.217  -9.821  12.485
  288    HB3  LEU  32           HB1      LEU  32 116.830  -9.561  11.821
  289    HG   LEU  32           HG       LEU  32 115.626  -8.037  14.151
  290   HD11  LEU  32          HD11      LEU  32 117.913 -10.025  14.130
  291   HD12  LEU  32          HD12      LEU  32 116.260 -10.450  14.576
  292   HD13  LEU  32          HD13      LEU  32 117.160  -9.278  15.539
  293   HD21  LEU  32          HD21      LEU  32 118.197  -7.831  12.604
  294   HD22  LEU  32          HD22      LEU  32 118.171  -7.401  14.314
  295   HD23  LEU  32          HD23      LEU  32 117.137  -6.541  13.172
  296    H    LYS  33           HN       LYS  33 113.363  -9.389  11.283
  297    HA   LYS  33           HA       LYS  33 113.773 -10.392   8.624
  298    HB2  LYS  33           HB2      LYS  33 112.616 -11.696  10.389
  299    HB3  LYS  33           HB1      LYS  33 111.299 -10.522  10.364
  300    HG2  LYS  33           HG2      LYS  33 110.816 -11.038   8.037
  301    HG3  LYS  33           HG1      LYS  33 112.217 -12.106   7.948
  302    HD2  LYS  33           HD2      LYS  33 111.219 -13.582   9.643
  303    HD3  LYS  33           HD1      LYS  33 109.826 -12.507   9.769
  304    HE2  LYS  33           HE2      LYS  33 109.280 -12.910   7.407
  305    HE3  LYS  33           HE1      LYS  33 110.691 -13.955   7.249
  306    HZ1  LYS  33           HZ1      LYS  33 108.539 -14.447   9.223
  307    HZ2  LYS  33           HZ2      LYS  33 109.774 -15.509   8.740
  308    HZ3  LYS  33           HZ3      LYS  33 108.522 -15.110   7.663
  309    H    PHE  34           HN       PHE  34 111.427  -8.149  10.099
  310    HA   PHE  34           HA       PHE  34 109.960  -7.594   7.774
  311    HB2  PHE  34           HB2      PHE  34 109.239  -6.979  10.067
  312    HB3  PHE  34           HB1      PHE  34 110.491  -5.737  10.107
  313    HD1  PHE  34           HD1      PHE  34 110.112  -3.608   9.162
  314    HD2  PHE  34           HD2      PHE  34 107.495  -6.872   8.184
  315    HE1  PHE  34           HE1      PHE  34 108.596  -2.040   7.982
  316    HE2  PHE  34           HE2      PHE  34 105.980  -5.303   7.003
  317    HZ   PHE  34           HZ       PHE  34 106.531  -2.887   6.902
  318    H    PHE  35           HN       PHE  35 112.864  -6.062   9.107
  319    HA   PHE  35           HA       PHE  35 112.918  -3.936   7.191
  320    HB2  PHE  35           HB2      PHE  35 114.034  -4.039   9.523
  321    HB3  PHE  35           HB1      PHE  35 115.322  -4.926   8.707
  322    HD1  PHE  35           HD1      PHE  35 116.324  -3.856   6.566
  323    HD2  PHE  35           HD2      PHE  35 113.989  -1.690   9.449
  324    HE1  PHE  35           HE1      PHE  35 117.262  -1.721   5.722
  325    HE2  PHE  35           HE2      PHE  35 114.927   0.445   8.605
  326    HZ   PHE  35           HZ       PHE  35 116.564   0.430   6.742
  327    H    ASP  36           HN       ASP  36 114.701  -6.995   7.540
  328    HA   ASP  36           HA       ASP  36 116.144  -6.628   5.073
  329    HB2  ASP  36           HB2      ASP  36 115.805  -9.010   6.904
  330    HB3  ASP  36           HB1      ASP  36 116.829  -9.013   5.470
  331    H    PHE  37           HN       PHE  37 113.065  -7.863   5.974
  332    HA   PHE  37           HA       PHE  37 112.631  -9.771   3.952
  333    HB2  PHE  37           HB2      PHE  37 110.989  -9.826   5.581
  334    HB3  PHE  37           HB1      PHE  37 110.865  -8.069   5.665
  335    HD1  PHE  37           HD1      PHE  37 110.675 -10.516   2.824
  336    HD2  PHE  37           HD2      PHE  37 108.726  -7.388   5.031
  337    HE1  PHE  37           HE1      PHE  37 108.779 -10.571   1.227
  338    HE2  PHE  37           HE2      PHE  37 106.829  -7.444   3.434
  339    HZ   PHE  37           HZ       PHE  37 106.856  -9.036   1.533
  340    H    VAL  38           HN       VAL  38 111.780  -6.306   4.050
  341    HA   VAL  38           HA       VAL  38 110.909  -6.293   1.307
  342    HB   VAL  38           HB       VAL  38 111.010  -3.732   1.741
  343   HG11  VAL  38          HG11      VAL  38 108.918  -3.900   3.122
  344   HG12  VAL  38          HG12      VAL  38 109.244  -5.621   3.325
  345   HG13  VAL  38          HG13      VAL  38 108.920  -4.967   1.719
  346   HG21  VAL  38          HG21      VAL  38 112.476  -4.494   3.911
  347   HG22  VAL  38          HG22      VAL  38 110.867  -4.397   4.625
  348   HG23  VAL  38          HG23      VAL  38 111.565  -2.986   3.830
  349    H    LYS  39           HN       LYS  39 113.844  -5.445   3.052
  350    HA   LYS  39           HA       LYS  39 115.155  -4.061   0.964
  351    HB2  LYS  39           HB2      LYS  39 115.785  -4.215   3.462
  352    HB3  LYS  39           HB1      LYS  39 116.585  -5.727   3.025
  353    HG2  LYS  39           HG2      LYS  39 117.945  -4.556   1.356
  354    HG3  LYS  39           HG1      LYS  39 117.117  -3.042   1.719
  355    HD2  LYS  39           HD2      LYS  39 117.940  -3.143   4.043
  356    HD3  LYS  39           HD1      LYS  39 118.772  -4.656   3.682
  357    HE2  LYS  39           HE2      LYS  39 120.114  -3.495   1.953
  358    HE3  LYS  39           HE1      LYS  39 119.303  -1.981   2.354
  359    HZ1  LYS  39           HZ1      LYS  39 121.574  -2.690   3.464
  360    HZ2  LYS  39           HZ2      LYS  39 120.524  -3.474   4.546
  361    HZ3  LYS  39           HZ3      LYS  39 120.405  -1.796   4.308
  362    H    ASP  40           HN       ASP  40 114.773  -7.464   1.696
  363    HA   ASP  40           HA       ASP  40 116.830  -8.601   0.225
  364    HB2  ASP  40           HB2      ASP  40 114.025  -9.490   0.834
  365    HB3  ASP  40           HB1      ASP  40 115.070 -10.470  -0.193
  366    H    THR  41           HN       THR  41 113.614  -7.580  -0.902
  367    HA   THR  41           HA       THR  41 114.597  -7.836  -3.680
  368    HB   THR  41           HB       THR  41 112.101  -7.858  -4.233
  369    HG1  THR  41           HG1      THR  41 110.860  -8.629  -2.397
  370   HG21  THR  41          HG21      THR  41 111.956 -10.302  -3.186
  371   HG22  THR  41          HG22      THR  41 113.662 -10.000  -2.857
  372   HG23  THR  41          HG23      THR  41 113.059  -9.939  -4.513
  373    H    CYS  42           HN       CYS  42 113.915  -5.635  -1.280
  374    HA   CYS  42           HA       CYS  42 113.234  -3.409  -1.258
  375    HB2  CYS  42           HB2      CYS  42 114.646  -2.063  -2.861
  376    HB3  CYS  42           HB1      CYS  42 115.550  -3.184  -1.841
  377    HG   CYS  42           HG       CYS  42 115.238  -3.396  -4.886
  378    HA   PRO  43           HA       PRO  43 110.388  -3.773  -4.949
  379    HB2  PRO  43           HB2      PRO  43 108.095  -4.488  -3.670
  380    HB3  PRO  43           HB1      PRO  43 109.288  -5.673  -4.237
  381    HG2  PRO  43           HG2      PRO  43 108.756  -4.690  -1.499
  382    HG3  PRO  43           HG1      PRO  43 109.318  -6.278  -2.045
  383    HD2  PRO  43           HD2      PRO  43 110.967  -4.260  -0.949
  384    HD3  PRO  43           HD1      PRO  43 111.515  -5.681  -1.865
  385    H    TRP  44           HN       TRP  44 109.703  -2.544  -1.689
  386    HA   TRP  44           HA       TRP  44 107.842  -0.546  -2.601
  387    HB2  TRP  44           HB2      TRP  44 108.878  -1.513  -0.047
  388    HB3  TRP  44           HB1      TRP  44 108.695   0.240  -0.085
  389    HD1  TRP  44           HD1      TRP  44 106.186   0.763  -1.657
  390    HE1  TRP  44           HE1      TRP  44 103.870  -0.097  -0.918
  391    HE3  TRP  44           HE3      TRP  44 107.602  -3.076   1.398
  392    HZ2  TRP  44           HZ2      TRP  44 102.765  -2.143   0.748
  393    HZ3  TRP  44           HZ3      TRP  44 105.900  -4.462   2.546
  394    HH2  TRP  44           HH2      TRP  44 103.485  -4.002   2.226
  395    H    PHE  45           HN       PHE  45 110.996  -0.779  -3.185
  396    HA   PHE  45           HA       PHE  45 112.691   0.691  -3.681
  397    HB2  PHE  45           HB2      PHE  45 110.498   2.768  -3.814
  398    HB3  PHE  45           HB1      PHE  45 112.045   2.779  -4.662
  399    HD1  PHE  45           HD1      PHE  45 108.660   2.189  -5.111
  400    HD2  PHE  45           HD2      PHE  45 112.472   0.412  -5.983
  401    HE1  PHE  45           HE1      PHE  45 107.641   0.925  -6.985
  402    HE2  PHE  45           HE2      PHE  45 111.454  -0.852  -7.857
  403    HZ   PHE  45           HZ       PHE  45 109.039  -0.596  -8.360
  404    HA   PRO  46           HA       PRO  46 112.179   2.138   0.869
  405    HB2  PRO  46           HB2      PRO  46 114.721   0.978   1.380
  406    HB3  PRO  46           HB1      PRO  46 113.140   0.359   1.893
  407    HG2  PRO  46           HG2      PRO  46 114.801  -0.397  -0.438
  408    HG3  PRO  46           HG1      PRO  46 113.707  -1.385   0.544
  409    HD2  PRO  46           HD2      PRO  46 113.055  -0.619  -1.937
  410    HD3  PRO  46           HD1      PRO  46 111.816  -0.689  -0.666
  411    H    GLN  47           HN       GLN  47 114.200   2.574  -1.820
  412    HA   GLN  47           HA       GLN  47 116.257   4.194  -0.764
  413    HB2  GLN  47           HB2      GLN  47 115.002   4.342  -3.515
  414    HB3  GLN  47           HB1      GLN  47 116.595   4.944  -3.053
  415    HG2  GLN  47           HG2      GLN  47 115.716   2.046  -2.902
  416    HG3  GLN  47           HG1      GLN  47 116.736   2.732  -4.165
  417   HE21  GLN  47          HE21      GLN  47 117.035   0.873  -1.502
  418   HE22  GLN  47          HE22      GLN  47 118.548   1.389  -0.932
  419    H    GLU  48           HN       GLU  48 113.266   5.171  -2.459
  420    HA   GLU  48           HA       GLU  48 113.526   7.862  -1.324
  421    HB2  GLU  48           HB2      GLU  48 112.990   7.484  -3.766
  422    HB3  GLU  48           HB1      GLU  48 111.427   6.852  -3.249
  423    HG2  GLU  48           HG2      GLU  48 111.119   9.188  -3.752
  424    HG3  GLU  48           HG1      GLU  48 111.062   9.015  -1.999
  425    H    GLY  49           HN       GLY  49 111.962   4.921  -0.691
  426    HA2  GLY  49           HA2      GLY  49 110.454   4.307   0.938
  427    HA3  GLY  49           HA1      GLY  49 110.626   5.926   1.607
  428    H    THR  50           HN       THR  50 108.803   3.887  -0.560
  429    HA   THR  50           HA       THR  50 106.629   5.869  -0.526
  430    HB   THR  50           HB       THR  50 107.885   6.063  -2.689
  431    HG1  THR  50           HG1      THR  50 105.220   5.367  -2.398
  432   HG21  THR  50          HG21      THR  50 107.742   4.228  -4.288
  433   HG22  THR  50          HG22      THR  50 106.839   3.252  -3.129
  434   HG23  THR  50          HG23      THR  50 108.527   3.656  -2.815
  435    H    ILE  51           HN       ILE  51 104.548   4.851  -1.323
  436    HA   ILE  51           HA       ILE  51 104.439   2.006  -0.518
  437    HB   ILE  51           HB       ILE  51 102.064   3.798  -0.219
  438   HG12  ILE  51          HG12      ILE  51 104.587   3.863   1.406
  439   HG13  ILE  51          HG11      ILE  51 103.513   5.190   0.960
  440   HG21  ILE  51          HG21      ILE  51 102.210   1.232   0.167
  441   HG22  ILE  51          HG22      ILE  51 101.427   2.212   1.406
  442   HG23  ILE  51          HG23      ILE  51 103.083   1.653   1.639
  443   HD11  ILE  51          HD11      ILE  51 103.072   4.855   3.258
  444   HD12  ILE  51          HD12      ILE  51 103.120   3.099   3.099
  445   HD13  ILE  51          HD13      ILE  51 101.757   4.007   2.446
  446    H    ASP  52           HN       ASP  52 103.304   0.622  -1.799
  447    HA   ASP  52           HA       ASP  52 101.661   1.704  -3.975
  448    HB2  ASP  52           HB2      ASP  52 104.007   1.426  -4.831
  449    HB3  ASP  52           HB1      ASP  52 103.869  -0.297  -4.486
  450    H    ILE  53           HN       ILE  53  99.797   0.638  -3.974
  451    HA   ILE  53           HA       ILE  53  99.412  -1.760  -2.462
  452    HB   ILE  53           HB       ILE  53  97.547  -0.526  -4.500
  453   HG12  ILE  53          HG12      ILE  53  98.202   1.183  -2.893
  454   HG13  ILE  53          HG11      ILE  53  96.573   0.634  -2.497
  455   HG21  ILE  53          HG21      ILE  53  96.040  -2.052  -3.793
  456   HG22  ILE  53          HG22      ILE  53  96.422  -1.742  -2.100
  457   HG23  ILE  53          HG23      ILE  53  97.386  -2.894  -3.026
  458   HD11  ILE  53          HD11      ILE  53  97.811  -1.076  -0.946
  459   HD12  ILE  53          HD12      ILE  53  97.617   0.592  -0.405
  460   HD13  ILE  53          HD13      ILE  53  99.158   0.055  -1.076
  461    H    LYS  54           HN       LYS  54  99.627  -1.009  -5.920
  462    HA   LYS  54           HA       LYS  54  98.974  -3.589  -6.874
  463    HB2  LYS  54           HB2      LYS  54  98.967  -1.573  -8.299
  464    HB3  LYS  54           HB1      LYS  54 100.723  -1.478  -8.161
  465    HG2  LYS  54           HG2      LYS  54 100.957  -3.670  -9.224
  466    HG3  LYS  54           HG1      LYS  54  99.204  -3.843  -9.299
  467    HD2  LYS  54           HD2      LYS  54  99.067  -1.847 -10.749
  468    HD3  LYS  54           HD1      LYS  54 100.823  -1.683 -10.683
  469    HE2  LYS  54           HE2      LYS  54 101.077  -3.907 -11.716
  470    HE3  LYS  54           HE1      LYS  54  99.323  -4.082 -11.776
  471    HZ1  LYS  54           HZ1      LYS  54 100.433  -3.270 -13.867
  472    HZ2  LYS  54           HZ2      LYS  54 100.741  -1.814 -13.046
  473    HZ3  LYS  54           HZ3      LYS  54  99.141  -2.326 -13.302
  474    H    ARG  55           HN       ARG  55 102.149  -2.024  -6.412
  475    HA   ARG  55           HA       ARG  55 103.693  -4.283  -7.110
  476    HB2  ARG  55           HB2      ARG  55 104.312  -1.722  -6.684
  477    HB3  ARG  55           HB1      ARG  55 104.747  -2.357  -5.097
  478    HG2  ARG  55           HG2      ARG  55 106.250  -3.978  -6.089
  479    HG3  ARG  55           HG1      ARG  55 105.716  -3.541  -7.713
  480    HD2  ARG  55           HD2      ARG  55 107.032  -1.600  -5.797
  481    HD3  ARG  55           HD1      ARG  55 107.907  -2.496  -7.035
  482    HE   ARG  55           HE       ARG  55 106.288  -0.172  -7.452
  483   HH11  ARG  55          HH11      ARG  55 105.996   0.499  -9.603
  484   HH12  ARG  55          HH12      ARG  55 106.332  -0.599 -10.899
  485   HH21  ARG  55          HH21      ARG  55 107.279  -3.198  -8.809
  486   HH22  ARG  55          HH22      ARG  55 107.059  -2.692 -10.450
  487    H    TRP  56           HN       TRP  56 102.368  -3.162  -4.033
  488    HA   TRP  56           HA       TRP  56 103.699  -4.874  -2.281
  489    HB2  TRP  56           HB2      TRP  56 102.369  -3.203  -1.290
  490    HB3  TRP  56           HB1      TRP  56 100.948  -3.650  -2.235
  491    HD1  TRP  56           HD1      TRP  56  99.230  -4.815  -0.787
  492    HE1  TRP  56           HE1      TRP  56  99.283  -6.490   1.171
  493    HE3  TRP  56           HE3      TRP  56 104.277  -5.330  -0.204
  494    HZ2  TRP  56           HZ2      TRP  56 101.211  -7.866   2.775
  495    HZ3  TRP  56           HZ3      TRP  56 105.194  -6.828   1.546
  496    HH2  TRP  56           HH2      TRP  56 103.669  -8.095   3.035
  497    H    ARG  57           HN       ARG  57 100.880  -5.450  -4.328
  498    HA   ARG  57           HA       ARG  57 100.201  -7.997  -3.284
  499    HB2  ARG  57           HB2      ARG  57  98.674  -6.658  -4.689
  500    HB3  ARG  57           HB1      ARG  57  99.745  -6.901  -6.070
  501    HG2  ARG  57           HG2      ARG  57  99.428  -9.341  -5.894
  502    HG3  ARG  57           HG1      ARG  57  98.359  -9.103  -4.510
  503    HD2  ARG  57           HD2      ARG  57  96.891  -7.685  -5.984
  504    HD3  ARG  57           HD1      ARG  57  97.902  -8.153  -7.349
  505    HE   ARG  57           HE       ARG  57  96.016  -9.863  -5.913
  506   HH11  ARG  57          HH11      ARG  57  95.605 -11.849  -6.935
  507   HH12  ARG  57          HH12      ARG  57  96.597 -12.356  -8.262
  508   HH21  ARG  57          HH21      ARG  57  98.602  -9.528  -8.188
  509   HH22  ARG  57          HH22      ARG  57  98.293 -11.042  -8.971
  510    H    ARG  58           HN       ARG  58 102.326  -6.968  -5.926
  511    HA   ARG  58           HA       ARG  58 102.917  -9.484  -7.002
  512    HB2  ARG  58           HB2      ARG  58 104.524  -6.933  -6.841
  513    HB3  ARG  58           HB1      ARG  58 105.098  -8.363  -7.699
  514    HG2  ARG  58           HG2      ARG  58 103.099  -8.345  -9.119
  515    HG3  ARG  58           HG1      ARG  58 102.467  -6.954  -8.237
  516    HD2  ARG  58           HD2      ARG  58 104.418  -5.618  -8.937
  517    HD3  ARG  58           HD1      ARG  58 105.057  -7.007  -9.812
  518    HE   ARG  58           HE       ARG  58 102.468  -6.547 -10.769
  519   HH11  ARG  58          HH11      ARG  58 102.164  -5.374 -12.689
  520   HH12  ARG  58          HH12      ARG  58 103.404  -4.300 -13.247
  521   HH21  ARG  58          HH21      ARG  58 105.542  -4.965 -10.600
  522   HH22  ARG  58          HH22      ARG  58 105.316  -4.068 -12.064
  523    H    VAL  59           HN       VAL  59 104.715  -7.627  -4.538
  524    HA   VAL  59           HA       VAL  59 106.626  -9.647  -4.014
  525    HB   VAL  59           HB       VAL  59 107.109  -7.392  -3.351
  526   HG11  VAL  59          HG11      VAL  59 104.725  -7.578  -1.484
  527   HG12  VAL  59          HG12      VAL  59 104.705  -6.737  -3.033
  528   HG13  VAL  59          HG13      VAL  59 105.761  -6.173  -1.738
  529   HG21  VAL  59          HG21      VAL  59 107.837  -7.747  -1.099
  530   HG22  VAL  59          HG22      VAL  59 107.848  -9.337  -1.861
  531   HG23  VAL  59          HG23      VAL  59 106.529  -8.885  -0.781
  532    H    GLY  60           HN       GLY  60 103.489  -8.880  -2.572
  533    HA2  GLY  60           HA2      GLY  60 103.607 -10.660  -0.389
  534    HA3  GLY  60           HA1      GLY  60 102.129 -10.063  -1.141
  535    H    ASP  61           HN       ASP  61 102.253 -11.084  -3.662
  536    HA   ASP  61           HA       ASP  61 101.478 -13.797  -3.252
  537    HB2  ASP  61           HB2      ASP  61 101.764 -11.995  -5.627
  538    HB3  ASP  61           HB1      ASP  61 101.566 -13.728  -5.881
  539    H    CYS  62           HN       CYS  62 104.387 -12.226  -4.461
  540    HA   CYS  62           HA       CYS  62 105.641 -14.523  -5.541
  541    HB2  CYS  62           HB2      CYS  62 106.750 -11.931  -4.453
  542    HB3  CYS  62           HB1      CYS  62 107.755 -13.172  -5.202
  543    HG   CYS  62           HG       CYS  62 105.543 -12.605  -7.103
  544    H    PHE  63           HN       PHE  63 105.565 -13.131  -2.300
  545    HA   PHE  63           HA       PHE  63 107.509 -15.014  -1.262
  546    HB2  PHE  63           HB2      PHE  63 105.957 -12.711  -0.203
  547    HB3  PHE  63           HB1      PHE  63 106.448 -13.944   0.958
  548    HD1  PHE  63           HD1      PHE  63 107.831 -11.929  -1.887
  549    HD2  PHE  63           HD2      PHE  63 108.594 -13.852   1.877
  550    HE1  PHE  63           HE1      PHE  63 110.137 -11.014  -1.888
  551    HE2  PHE  63           HE2      PHE  63 110.900 -12.938   1.877
  552    HZ   PHE  63           HZ       PHE  63 111.671 -11.520  -0.005
  553    H    GLN  64           HN       GLN  64 103.999 -14.526  -1.088
  554    HA   GLN  64           HA       GLN  64 103.457 -16.653   0.702
  555    HB2  GLN  64           HB2      GLN  64 101.831 -14.872   0.243
  556    HB3  GLN  64           HB1      GLN  64 101.686 -15.426  -1.425
  557    HG2  GLN  64           HG2      GLN  64 100.776 -17.547  -0.715
  558    HG3  GLN  64           HG1      GLN  64 101.103 -17.176   0.976
  559   HE21  GLN  64          HE21      GLN  64  98.453 -17.793   0.051
  560   HE22  GLN  64          HE22      GLN  64  97.502 -16.395   0.208
  561    H    ASP  65           HN       ASP  65 103.638 -16.471  -2.828
  562    HA   ASP  65           HA       ASP  65 102.690 -19.064  -3.395
  563    HB2  ASP  65           HB2      ASP  65 102.920 -17.361  -5.130
  564    HB3  ASP  65           HB1      ASP  65 104.670 -17.355  -4.919
  565    H    TYR  66           HN       TYR  66 106.043 -17.866  -3.115
  566    HA   TYR  66           HA       TYR  66 107.237 -20.434  -3.358
  567    HB2  TYR  66           HB2      TYR  66 108.131 -17.699  -2.655
  568    HB3  TYR  66           HB1      TYR  66 109.125 -19.020  -2.043
  569    HD1  TYR  66           HD1      TYR  66 109.867 -20.837  -3.708
  570    HD2  TYR  66           HD2      TYR  66 108.274 -17.035  -4.915
  571    HE1  TYR  66           HE1      TYR  66 110.858 -21.138  -5.962
  572    HE2  TYR  66           HE2      TYR  66 109.265 -17.336  -7.168
  573    HH   TYR  66           HH       TYR  66 111.254 -18.676  -8.136
  574    H    TYR  67           HN       TYR  67 106.218 -18.473  -0.600
  575    HA   TYR  67           HA       TYR  67 107.361 -20.124   1.412
  576    HB2  TYR  67           HB2      TYR  67 106.659 -17.791   1.819
  577    HB3  TYR  67           HB1      TYR  67 104.975 -18.267   1.592
  578    HD1  TYR  67           HD1      TYR  67 103.748 -18.717   3.513
  579    HD2  TYR  67           HD2      TYR  67 107.984 -19.434   3.520
  580    HE1  TYR  67           HE1      TYR  67 103.625 -19.423   5.887
  581    HE2  TYR  67           HE2      TYR  67 107.860 -20.140   5.894
  582    HH   TYR  67           HH       TYR  67 104.741 -20.246   7.620
  583    H    ASN  68           HN       ASN  68 104.202 -20.058  -0.179
  584    HA   ASN  68           HA       ASN  68 102.898 -21.914   1.497
  585    HB2  ASN  68           HB2      ASN  68 102.472 -21.043  -1.353
  586    HB3  ASN  68           HB1      ASN  68 101.467 -22.289  -0.616
  587   HD21  ASN  68          HD21      ASN  68 102.375 -20.308   1.899
  588   HD22  ASN  68          HD22      ASN  68 101.056 -19.240   1.898
  589    H    THR  69           HN       THR  69 104.867 -22.325  -1.413
  590    HA   THR  69           HA       THR  69 104.394 -24.986  -1.996
  591    HB   THR  69           HB       THR  69 106.658 -25.021  -2.969
  592    HG1  THR  69           HG1      THR  69 107.860 -23.942  -1.496
  593   HG21  THR  69          HG21      THR  69 106.274 -22.480  -3.987
  594   HG22  THR  69          HG22      THR  69 104.666 -22.917  -3.410
  595   HG23  THR  69          HG23      THR  69 105.492 -23.945  -4.580
  596    H    PHE  70           HN       PHE  70 105.978 -23.626   0.747
  597    HA   PHE  70           HA       PHE  70 107.304 -26.125   1.468
  598    HB2  PHE  70           HB2      PHE  70 107.186 -23.385   2.727
  599    HB3  PHE  70           HB1      PHE  70 107.928 -24.764   3.538
  600    HD1  PHE  70           HD1      PHE  70 108.341 -22.205   1.025
  601    HD2  PHE  70           HD2      PHE  70 109.797 -26.023   2.350
  602    HE1  PHE  70           HE1      PHE  70 110.411 -21.876  -0.301
  603    HE2  PHE  70           HE2      PHE  70 111.867 -25.694   1.024
  604    HZ   PHE  70           HZ       PHE  70 112.174 -23.620  -0.302
  605    H    GLY  71           HN       GLY  71 104.246 -25.500   1.389
  606    HA2  GLY  71           HA2      GLY  71 102.373 -25.896   2.699
  607    HA3  GLY  71           HA1      GLY  71 103.283 -27.339   3.133
  608    HA   PRO  72           HA       PRO  72 104.355 -24.328   6.647
  609    HB2  PRO  72           HB2      PRO  72 103.646 -21.702   6.457
  610    HB3  PRO  72           HB1      PRO  72 105.149 -22.348   5.771
  611    HG2  PRO  72           HG2      PRO  72 102.622 -21.602   4.422
  612    HG3  PRO  72           HG1      PRO  72 104.290 -21.512   3.836
  613    HD2  PRO  72           HD2      PRO  72 102.458 -23.513   3.133
  614    HD3  PRO  72           HD1      PRO  72 104.224 -23.608   2.953
  615    H    GLU  73           HN       GLU  73 103.134 -24.657   8.416
  616    HA   GLU  73           HA       GLU  73 100.231 -24.447   8.229
  617    HB2  GLU  73           HB2      GLU  73 102.135 -25.955   9.819
  618    HB3  GLU  73           HB1      GLU  73 100.911 -25.189  10.834
  619    HG2  GLU  73           HG2      GLU  73 100.271 -26.814   8.358
  620    HG3  GLU  73           HG1      GLU  73 100.256 -27.471   9.994
  621    H    LYS  74           HN       LYS  74 102.887 -22.623   9.399
  622    HA   LYS  74           HA       LYS  74 101.523 -21.228  11.499
  623    HB2  LYS  74           HB2      LYS  74 103.867 -20.072  10.031
  624    HB3  LYS  74           HB1      LYS  74 103.486 -20.010  11.752
  625    HG2  LYS  74           HG2      LYS  74 104.373 -22.468  10.213
  626    HG3  LYS  74           HG1      LYS  74 105.351 -21.556  11.362
  627    HD2  LYS  74           HD2      LYS  74 103.636 -22.052  13.126
  628    HD3  LYS  74           HD1      LYS  74 102.809 -23.092  11.966
  629    HE2  LYS  74           HE2      LYS  74 104.817 -24.486  11.753
  630    HE3  LYS  74           HE1      LYS  74 105.685 -23.431  12.867
  631    HZ1  LYS  74           HZ1      LYS  74 103.445 -25.266  13.421
  632    HZ2  LYS  74           HZ2      LYS  74 103.748 -23.944  14.446
  633    HZ3  LYS  74           HZ3      LYS  74 104.938 -25.135  14.216
  634    H    VAL  75           HN       VAL  75 102.380 -20.416   8.137
  635    HA   VAL  75           HA       VAL  75 101.814 -18.470   6.944
  636    HB   VAL  75           HB       VAL  75  99.192 -19.817   7.631
  637   HG11  VAL  75          HG11      VAL  75  98.750 -18.706   5.233
  638   HG12  VAL  75          HG12      VAL  75  99.907 -17.529   5.853
  639   HG13  VAL  75          HG13      VAL  75  98.412 -17.843   6.733
  640   HG21  VAL  75          HG21      VAL  75  99.570 -21.190   5.790
  641   HG22  VAL  75          HG22      VAL  75 101.216 -20.991   6.389
  642   HG23  VAL  75          HG23      VAL  75 100.655 -20.032   5.020
  643    HA   PRO  76           HA       PRO  76 100.964 -15.847  10.687
  644    HB2  PRO  76           HB2      PRO  76 102.620 -14.039   8.993
  645    HB3  PRO  76           HB1      PRO  76 102.748 -14.395  10.727
  646    HG2  PRO  76           HG2      PRO  76 104.490 -15.391   8.992
  647    HG3  PRO  76           HG1      PRO  76 103.928 -16.336  10.381
  648    HD2  PRO  76           HD2      PRO  76 103.148 -16.574   7.498
  649    HD3  PRO  76           HD1      PRO  76 103.338 -17.860   8.709
  650    H    VAL  77           HN       VAL  77  99.069 -14.789  10.728
  651    HA   VAL  77           HA       VAL  77  97.839 -13.849   8.282
  652    HB   VAL  77           HB       VAL  77  96.907 -13.703  11.159
  653   HG11  VAL  77          HG11      VAL  77  95.647 -12.974   8.520
  654   HG12  VAL  77          HG12      VAL  77  95.677 -12.048  10.021
  655   HG13  VAL  77          HG13      VAL  77  94.648 -13.475   9.885
  656   HG21  VAL  77          HG21      VAL  77  95.470 -15.466   9.345
  657   HG22  VAL  77          HG22      VAL  77  96.200 -15.833  10.908
  658   HG23  VAL  77          HG23      VAL  77  97.175 -15.904   9.440
  659    H    THR  78           HN       THR  78  99.814 -12.526  10.737
  660    HA   THR  78           HA       THR  78  99.023  -9.924  11.056
  661    HB   THR  78           HB       THR  78 101.414  -9.351  11.286
  662    HG1  THR  78           HG1      THR  78 102.134 -11.969  10.705
  663   HG21  THR  78          HG21      THR  78 100.554 -10.345  13.232
  664   HG22  THR  78          HG22      THR  78 101.970 -11.335  12.877
  665   HG23  THR  78          HG23      THR  78 100.359 -11.916  12.455
  666    H    ALA  79           HN       ALA  79 100.391 -11.413   8.196
  667    HA   ALA  79           HA       ALA  79 101.126  -9.144   6.739
  668    HB1  ALA  79           HB1      ALA  79 100.204 -11.895   5.991
  669    HB2  ALA  79           HB2      ALA  79 101.774 -11.133   5.733
  670    HB3  ALA  79           HB3      ALA  79 100.394 -10.674   4.733
  671    H    PHE  80           HN       PHE  80  97.978 -10.509   7.411
  672    HA   PHE  80           HA       PHE  80  96.536  -9.103   5.394
  673    HB2  PHE  80           HB2      PHE  80  95.753 -10.473   7.958
  674    HB3  PHE  80           HB1      PHE  80  94.570  -9.592   6.992
  675    HD1  PHE  80           HD1      PHE  80  93.551 -10.621   5.143
  676    HD2  PHE  80           HD2      PHE  80  97.201 -12.241   6.724
  677    HE1  PHE  80           HE1      PHE  80  93.353 -12.560   3.610
  678    HE2  PHE  80           HE2      PHE  80  97.004 -14.181   5.191
  679    HZ   PHE  80           HZ       PHE  80  95.080 -14.341   3.634
  680    H    SER  81           HN       SER  81  97.466  -8.371   8.710
  681    HA   SER  81           HA       SER  81  95.843  -6.085   9.074
  682    HB2  SER  81           HB2      SER  81  98.553  -6.661  10.292
  683    HB3  SER  81           HB1      SER  81  97.349  -5.532  10.906
  684    HG   SER  81           HG       SER  81  96.404  -7.156  11.826
  685    H    TYR  82           HN       TYR  82  99.099  -6.513   7.752
  686    HA   TYR  82           HA       TYR  82  99.807  -3.812   7.494
  687    HB2  TYR  82           HB2      TYR  82 100.623  -6.345   6.130
  688    HB3  TYR  82           HB1      TYR  82 101.137  -4.806   5.436
  689    HD1  TYR  82           HD1      TYR  82 101.192  -6.876   8.528
  690    HD2  TYR  82           HD2      TYR  82 102.836  -3.485   6.465
  691    HE1  TYR  82           HE1      TYR  82 102.972  -6.694  10.246
  692    HE2  TYR  82           HE2      TYR  82 104.616  -3.303   8.183
  693    HH   TYR  82           HH       TYR  82 105.265  -5.761  10.423
  694    H    TRP  83           HN       TRP  83  98.199  -5.985   5.171
  695    HA   TRP  83           HA       TRP  83  97.976  -4.205   3.036
  696    HB2  TRP  83           HB2      TRP  83  97.439  -6.510   2.687
  697    HB3  TRP  83           HB1      TRP  83  96.181  -6.469   3.922
  698    HD1  TRP  83           HD1      TRP  83  94.042  -4.812   3.372
  699    HE1  TRP  83           HE1      TRP  83  92.910  -4.331   1.106
  700    HE3  TRP  83           HE3      TRP  83  97.746  -6.323   0.197
  701    HZ2  TRP  83           HZ2      TRP  83  93.499  -4.556  -1.685
  702    HZ3  TRP  83           HZ3      TRP  83  97.435  -6.178  -2.258
  703    HH2  TRP  83           HH2      TRP  83  95.317  -5.298  -3.202
  704    H    ASN  84           HN       ASN  84  95.666  -4.821   5.681
  705    HA   ASN  84           HA       ASN  84  93.728  -2.951   4.810
  706    HB2  ASN  84           HB2      ASN  84  94.308  -4.270   7.453
  707    HB3  ASN  84           HB1      ASN  84  93.028  -3.068   7.293
  708   HD21  ASN  84          HD21      ASN  84  92.519  -5.864   7.898
  709   HD22  ASN  84          HD22      ASN  84  91.654  -6.516   6.592
  710    H    LEU  85           HN       LEU  85  96.434  -2.702   7.090
  711    HA   LEU  85           HA       LEU  85  95.838  -0.070   7.977
  712    HB2  LEU  85           HB2      LEU  85  97.296  -1.567   9.255
  713    HB3  LEU  85           HB1      LEU  85  98.475  -1.560   7.942
  714    HG   LEU  85           HG       LEU  85  98.725   0.892   8.196
  715   HD11  LEU  85          HD11      LEU  85  96.799   1.794   9.083
  716   HD12  LEU  85          HD12      LEU  85  97.730   1.636  10.572
  717   HD13  LEU  85          HD13      LEU  85  96.523   0.420  10.153
  718   HD21  LEU  85          HD21      LEU  85  99.052  -0.455  10.888
  719   HD22  LEU  85          HD22      LEU  85 100.056   0.812  10.183
  720   HD23  LEU  85          HD23      LEU  85 100.097  -0.820   9.516
  721    H    ILE  86           HN       ILE  86  98.599  -1.102   5.961
  722    HA   ILE  86           HA       ILE  86  99.374   1.386   5.054
  723    HB   ILE  86           HB       ILE  86  99.743  -1.385   4.181
  724   HG12  ILE  86          HG12      ILE  86 101.595   0.987   3.892
  725   HG13  ILE  86          HG11      ILE  86 101.326   0.204   5.450
  726   HG21  ILE  86          HG21      ILE  86 100.649  -0.616   1.929
  727   HG22  ILE  86          HG22      ILE  86  99.758   0.885   2.179
  728   HG23  ILE  86          HG23      ILE  86  98.890  -0.646   2.065
  729   HD11  ILE  86          HD11      ILE  86 102.039  -1.955   4.488
  730   HD12  ILE  86          HD12      ILE  86 103.308  -0.741   4.328
  731   HD13  ILE  86          HD13      ILE  86 102.316  -1.170   2.934
  732    H    LYS  87           HN       LYS  87  96.765  -0.668   3.890
  733    HA   LYS  87           HA       LYS  87  96.192   0.537   1.453
  734    HB2  LYS  87           HB2      LYS  87  94.908  -1.346   1.827
  735    HB3  LYS  87           HB1      LYS  87  94.556  -0.904   3.499
  736    HG2  LYS  87           HG2      LYS  87  92.976   0.761   2.824
  737    HG3  LYS  87           HG1      LYS  87  93.493   0.664   1.140
  738    HD2  LYS  87           HD2      LYS  87  92.652  -1.638   0.992
  739    HD3  LYS  87           HD1      LYS  87  92.171  -1.583   2.689
  740    HE2  LYS  87           HE2      LYS  87  90.614   0.258   2.203
  741    HE3  LYS  87           HE1      LYS  87  91.107   0.239   0.509
  742    HZ1  LYS  87           HZ1      LYS  87  90.366  -2.103   0.421
  743    HZ2  LYS  87           HZ2      LYS  87  89.103  -1.011   0.738
  744    HZ3  LYS  87           HZ3      LYS  87  89.757  -1.946   1.996
  745    H    GLU  88           HN       GLU  88  95.136   1.466   4.713
  746    HA   GLU  88           HA       GLU  88  93.601   3.711   3.699
  747    HB2  GLU  88           HB2      GLU  88  92.710   3.862   5.806
  748    HB3  GLU  88           HB1      GLU  88  93.255   2.186   5.872
  749    HG2  GLU  88           HG2      GLU  88  94.172   3.062   7.834
  750    HG3  GLU  88           HG1      GLU  88  95.511   3.231   6.700
  751    H    LEU  89           HN       LEU  89  96.816   3.101   4.710
  752    HA   LEU  89           HA       LEU  89  97.508   5.631   5.774
  753    HB2  LEU  89           HB2      LEU  89  98.800   3.296   5.652
  754    HB3  LEU  89           HB1      LEU  89  99.538   4.073   4.250
  755    HG   LEU  89           HG       LEU  89 100.881   4.584   6.211
  756   HD11  LEU  89          HD11      LEU  89  99.252   7.076   5.743
  757   HD12  LEU  89          HD12      LEU  89 100.237   6.391   4.449
  758   HD13  LEU  89          HD13      LEU  89 100.997   6.921   5.951
  759   HD21  LEU  89          HD21      LEU  89  99.975   4.928   8.253
  760   HD22  LEU  89          HD22      LEU  89  98.418   4.514   7.539
  761   HD23  LEU  89          HD23      LEU  89  98.921   6.201   7.638
  762    H    ILE  90           HN       ILE  90  97.581   4.315   2.484
  763    HA   ILE  90           HA       ILE  90  98.934   6.469   1.265
  764    HB   ILE  90           HB       ILE  90  96.985   4.437   0.169
  765   HG12  ILE  90          HG12      ILE  90  99.992   4.732   0.265
  766   HG13  ILE  90          HG11      ILE  90  99.009   3.380   0.830
  767   HG21  ILE  90          HG21      ILE  90  97.749   5.159  -2.062
  768   HG22  ILE  90          HG22      ILE  90  98.714   6.437  -1.322
  769   HG23  ILE  90          HG23      ILE  90  96.953   6.486  -1.214
  770   HD11  ILE  90          HD11      ILE  90  98.271   3.120  -1.626
  771   HD12  ILE  90          HD12      ILE  90  99.918   2.628  -1.227
  772   HD13  ILE  90          HD13      ILE  90  99.629   4.178  -2.015
  773    H    ASP  91           HN       ASP  91  95.471   5.812   1.714
  774    HA   ASP  91           HA       ASP  91  94.671   8.241   0.378
  775    HB2  ASP  91           HB2      ASP  91  92.422   7.601   0.970
  776    HB3  ASP  91           HB1      ASP  91  93.280   6.159   0.429
  777    H    LYS  92           HN       LYS  92  95.989   7.608   3.367
  778    HA   LYS  92           HA       LYS  92  94.476   9.245   5.101
  779    HB2  LYS  92           HB2      LYS  92  96.286   7.583   5.745
  780    HB3  LYS  92           HB1      LYS  92  97.460   8.806   5.261
  781    HG2  LYS  92           HG2      LYS  92  96.538  10.387   6.879
  782    HG3  LYS  92           HG1      LYS  92  95.276   9.236   7.319
  783    HD2  LYS  92           HD2      LYS  92  97.010   7.642   8.085
  784    HD3  LYS  92           HD1      LYS  92  98.258   8.821   7.682
  785    HE2  LYS  92           HE2      LYS  92  97.311  10.410   9.294
  786    HE3  LYS  92           HE1      LYS  92  96.011   9.278   9.669
  787    HZ1  LYS  92           HZ1      LYS  92  97.674   9.043  11.324
  788    HZ2  LYS  92           HZ2      LYS  92  98.913   8.918  10.168
  789    HZ3  LYS  92           HZ3      LYS  92  97.771   7.670  10.333
  790    H    LYS  93           HN       LYS  93  97.365   9.946   3.137
  791    HA   LYS  93           HA       LYS  93  96.678  12.815   3.330
  792    HB2  LYS  93           HB2      LYS  93  99.471  11.646   3.325
  793    HB3  LYS  93           HB1      LYS  93  99.055  13.359   3.407
  794    HG2  LYS  93           HG2      LYS  93  98.096  11.342   5.450
  795    HG3  LYS  93           HG1      LYS  93  99.588  12.263   5.642
  796    HD2  LYS  93           HD2      LYS  93  98.176  14.361   5.264
  797    HD3  LYS  93           HD1      LYS  93  96.764  13.326   5.469
  798    HE2  LYS  93           HE2      LYS  93  97.568  12.644   7.691
  799    HE3  LYS  93           HE1      LYS  93  99.002  13.650   7.489
  800    HZ1  LYS  93           HZ1      LYS  93  96.406  14.926   7.104
  801    HZ2  LYS  93           HZ2      LYS  93  97.834  15.547   7.786
  802    HZ3  LYS  93           HZ3      LYS  93  96.833  14.517   8.694
  803    H    GLU  94           HN       GLU  94  97.971  14.061   1.572
  804    HA   GLU  94           HA       GLU  94  97.285  12.846  -0.969
  805    HB2  GLU  94           HB2      GLU  94  98.441  15.551  -0.256
  806    HB3  GLU  94           HB1      GLU  94  98.011  15.054  -1.893
  807    HG2  GLU  94           HG2      GLU  94  96.069  16.152  -1.191
  808    HG3  GLU  94           HG1      GLU  94  95.694  14.468  -0.831
  809    H    VAL  95           HN       VAL  95  99.674  12.037   0.833
  810    HA   VAL  95           HA       VAL  95 101.959  11.626   0.606
  811    HB   VAL  95           HB       VAL  95 102.371  10.182  -1.367
  812   HG11  VAL  95          HG11      VAL  95 100.669   8.493  -0.816
  813   HG12  VAL  95          HG12      VAL  95  99.685   9.728  -0.030
  814   HG13  VAL  95          HG13      VAL  95 101.249   9.283   0.650
  815   HG21  VAL  95          HG21      VAL  95 100.662   9.860  -3.037
  816   HG22  VAL  95          HG22      VAL  95 100.931  11.597  -2.907
  817   HG23  VAL  95          HG23      VAL  95  99.521  10.864  -2.142
  818    H    ASN  96           HN       ASN  96 103.488  11.463  -1.774
  819    HA   ASN  96           HA       ASN  96 103.436  14.102  -3.003
  820    HB2  ASN  96           HB2      ASN  96 106.107  13.872  -2.217
  821    HB3  ASN  96           HB1      ASN  96 104.917  15.009  -1.584
  822   HD21  ASN  96          HD21      ASN  96 107.023  12.534  -0.656
  823   HD22  ASN  96          HD22      ASN  96 106.306  12.140   0.830
  824    HA   PRO  97           HA       PRO  97 105.129  12.261  -6.591
  825    HB2  PRO  97           HB2      PRO  97 107.542  13.731  -6.822
  826    HB3  PRO  97           HB1      PRO  97 105.977  14.128  -7.558
  827    HG2  PRO  97           HG2      PRO  97 107.206  15.143  -5.058
  828    HG3  PRO  97           HG1      PRO  97 106.170  15.973  -6.230
  829    HD2  PRO  97           HD2      PRO  97 105.226  15.210  -3.842
  830    HD3  PRO  97           HD1      PRO  97 104.194  15.075  -5.282
  831    H    GLN  98           HN       GLN  98 107.051  12.464  -3.711
  832    HA   GLN  98           HA       GLN  98 109.356  11.134  -4.132
  833    HB2  GLN  98           HB2      GLN  98 109.307  10.448  -1.912
  834    HB3  GLN  98           HB1      GLN  98 108.128  11.761  -1.902
  835    HG2  GLN  98           HG2      GLN  98 106.367   9.955  -2.405
  836    HG3  GLN  98           HG1      GLN  98 107.608   8.787  -1.955
  837   HE21  GLN  98          HE21      GLN  98 105.255   8.997  -0.390
  838   HE22  GLN  98          HE22      GLN  98 105.653   9.670   1.117
  839    H    VAL  99           HN       VAL  99 106.200   9.895  -4.735
  840    HA   VAL  99           HA       VAL  99 106.743   7.117  -4.651
  841    HB   VAL  99           HB       VAL  99 104.730   8.693  -6.273
  842   HG11  VAL  99          HG11      VAL  99 104.829   6.651  -7.408
  843   HG12  VAL  99          HG12      VAL  99 103.597   6.326  -6.188
  844   HG13  VAL  99          HG13      VAL  99 105.247   5.748  -5.952
  845   HG21  VAL  99          HG21      VAL  99 104.931   8.108  -3.511
  846   HG22  VAL  99          HG22      VAL  99 103.697   7.023  -4.152
  847   HG23  VAL  99          HG23      VAL  99 103.534   8.767  -4.364
  848    H    MET 100           HN       MET 100 106.953   9.518  -7.258
  849    HA   MET 100           HA       MET 100 107.733   7.640  -9.267
  850    HB2  MET 100           HB2      MET 100 107.999  10.651  -9.108
  851    HB3  MET 100           HB1      MET 100 108.389   9.696 -10.540
  852    HG2  MET 100           HG2      MET 100 106.093   8.853 -10.641
  853    HG3  MET 100           HG1      MET 100 105.688   9.727  -9.163
  854    HE1  MET 100           HE1      MET 100 103.855  10.019 -11.076
  855    HE2  MET 100           HE2      MET 100 103.706  11.606 -11.825
  856    HE3  MET 100           HE3      MET 100 103.750  11.468 -10.069
  857    H    ALA 101           HN       ALA 101 109.478   9.786  -7.063
  858    HA   ALA 101           HA       ALA 101 112.058   9.417  -8.160
  859    HB1  ALA 101           HB1      ALA 101 112.461   9.830  -5.452
  860    HB2  ALA 101           HB2      ALA 101 110.896  10.586  -5.748
  861    HB3  ALA 101           HB3      ALA 101 112.310  11.091  -6.675
  862    H    ALA 102           HN       ALA 102 110.046   7.386  -6.234
  863    HA   ALA 102           HA       ALA 102 112.051   5.791  -5.009
  864    HB1  ALA 102           HB1      ALA 102 110.202   5.042  -3.991
  865    HB2  ALA 102           HB2      ALA 102 109.786   4.177  -5.471
  866    HB3  ALA 102           HB3      ALA 102 109.177   5.811  -5.203
  867    H    VAL 103           HN       VAL 103 110.350   5.604  -8.101
  868    HA   VAL 103           HA       VAL 103 111.210   3.089  -8.959
  869    HB   VAL 103           HB       VAL 103 110.691   5.613 -10.545
  870   HG11  VAL 103          HG11      VAL 103 111.542   2.876 -11.336
  871   HG12  VAL 103          HG12      VAL 103 111.787   4.415 -12.164
  872   HG13  VAL 103          HG13      VAL 103 110.232   3.591 -12.278
  873   HG21  VAL 103          HG21      VAL 103 108.501   4.698 -10.883
  874   HG22  VAL 103          HG22      VAL 103 108.829   4.557  -9.155
  875   HG23  VAL 103          HG23      VAL 103 108.974   3.142 -10.198
  876    H    ALA 104           HN       ALA 104 112.811   6.246  -9.184
  877    HA   ALA 104           HA       ALA 104 115.010   5.551 -10.741
  878    HB1  ALA 104           HB1      ALA 104 114.749   7.508  -8.452
  879    HB2  ALA 104           HB2      ALA 104 114.668   7.850 -10.181
  880    HB3  ALA 104           HB3      ALA 104 116.200   7.378  -9.448
  881    H    GLN 105           HN       GLN 105 114.267   4.754  -7.437
  882    HA   GLN 105           HA       GLN 105 115.352   3.474  -5.866
  883    HB2  GLN 105           HB2      GLN 105 116.539   2.415  -8.430
  884    HB3  GLN 105           HB1      GLN 105 116.960   1.744  -6.853
  885    HG2  GLN 105           HG2      GLN 105 114.603   1.254  -6.402
  886    HG3  GLN 105           HG1      GLN 105 114.139   1.986  -7.937
  887   HE21  GLN 105          HE21      GLN 105 113.239  -0.420  -8.087
  888   HE22  GLN 105          HE22      GLN 105 114.287  -1.538  -8.819
  889    H    THR 106           HN       THR 106 118.062   3.728  -8.139
  890    HA   THR 106           HA       THR 106 119.501   5.359  -6.135
  891    HB   THR 106           HB       THR 106 121.533   4.123  -6.614
  892    HG1  THR 106           HG1      THR 106 120.543   3.629  -8.846
  893   HG21  THR 106          HG21      THR 106 119.209   2.242  -6.119
  894   HG22  THR 106          HG22      THR 106 120.013   3.217  -4.889
  895   HG23  THR 106          HG23      THR 106 120.895   1.928  -5.709
  896    H    GLU 107           HN       GLU 107 121.849   5.662  -7.628
  897    HA   GLU 107           HA       GLU 107 122.763   7.096  -9.174
  898    HB2  GLU 107           HB2      GLU 107 120.499   5.976 -10.845
  899    HB3  GLU 107           HB1      GLU 107 121.851   6.915 -11.481
  900    HG2  GLU 107           HG2      GLU 107 123.440   5.239 -10.702
  901    HG3  GLU 107           HG1      GLU 107 122.145   4.328  -9.928
  902    H    GLU 108           HN       GLU 108 122.319   9.054 -10.546
  903    HA   GLU 108           HA       GLU 108 120.353  10.726  -9.191
  904    HB2  GLU 108           HB2      GLU 108 122.505  11.340 -11.227
  905    HB3  GLU 108           HB1      GLU 108 121.420  12.552 -10.545
  906    HG2  GLU 108           HG2      GLU 108 122.231  12.101  -8.304
  907    HG3  GLU 108           HG1      GLU 108 123.200  10.748  -8.886
  908    H    ILE 109           HN       ILE 109 118.407  11.186  -9.987
  909    HA   ILE 109           HA       ILE 109 117.277  10.003 -12.218
  910    HB   ILE 109           HB       ILE 109 115.519  11.746 -12.049
  911   HG12  ILE 109          HG12      ILE 109 117.296  12.952  -9.908
  912   HG13  ILE 109          HG11      ILE 109 117.165  13.604 -11.542
  913   HG21  ILE 109          HG21      ILE 109 116.592  10.226  -9.727
  914   HG22  ILE 109          HG22      ILE 109 115.011  10.126 -10.504
  915   HG23  ILE 109          HG23      ILE 109 115.357  11.436  -9.374
  916   HD11  ILE 109          HD11      ILE 109 114.764  13.954 -11.250
  917   HD12  ILE 109          HD12      ILE 109 115.638  14.752  -9.941
  918   HD13  ILE 109          HD13      ILE 109 114.827  13.212  -9.651
  919    H    LEU 110           HN       LEU 110 119.355  12.762 -12.036
  920    HA   LEU 110           HA       LEU 110 118.662  14.037 -14.466
  921    HB2  LEU 110           HB2      LEU 110 121.281  13.952 -12.951
  922    HB3  LEU 110           HB1      LEU 110 120.954  15.022 -14.315
  923    HG   LEU 110           HG       LEU 110 119.262  14.935 -11.803
  924   HD11  LEU 110          HD11      LEU 110 120.420  16.906 -11.063
  925   HD12  LEU 110          HD12      LEU 110 121.306  17.030 -12.583
  926   HD13  LEU 110          HD13      LEU 110 121.659  15.715 -11.462
  927   HD21  LEU 110          HD21      LEU 110 119.177  16.367 -14.394
  928   HD22  LEU 110          HD22      LEU 110 118.917  17.377 -12.971
  929   HD23  LEU 110          HD23      LEU 110 117.868  15.991 -13.273
  930    H    LYS 111           HN       LYS 111 120.844  11.376 -13.691
  931    HA   LYS 111           HA       LYS 111 122.076  11.212 -16.253
  932    HB2  LYS 111           HB2      LYS 111 123.001  10.197 -14.165
  933    HB3  LYS 111           HB1      LYS 111 121.706   9.002 -14.219
  934    HG2  LYS 111           HG2      LYS 111 122.472   8.216 -16.403
  935    HG3  LYS 111           HG1      LYS 111 123.719   9.464 -16.439
  936    HD2  LYS 111           HD2      LYS 111 124.756   8.488 -14.422
  937    HD3  LYS 111           HD1      LYS 111 123.517   7.234 -14.394
  938    HE2  LYS 111           HE2      LYS 111 124.242   6.450 -16.612
  939    HE3  LYS 111           HE1      LYS 111 125.472   7.713 -16.661
  940    HZ1  LYS 111           HZ1      LYS 111 125.368   5.280 -15.031
  941    HZ2  LYS 111           HZ2      LYS 111 126.139   6.650 -14.387
  942    HZ3  LYS 111           HZ3      LYS 111 126.680   5.976 -15.849
  943    H    SER 112           HN       SER 112 119.130   9.903 -14.875
  944    HA   SER 112           HA       SER 112 118.576   7.884 -16.738
  945    HB2  SER 112           HB2      SER 112 116.643   9.687 -15.264
  946    HB3  SER 112           HB1      SER 112 116.216   8.184 -16.076
  947    HG   SER 112           HG       SER 112 116.770   7.268 -14.274
  948    H    ASN 113           HN       ASN 113 117.700  11.335 -16.773
  949    HA   ASN 113           HA       ASN 113 116.279  11.270 -19.219
  950    HB2  ASN 113           HB2      ASN 113 117.704  13.506 -17.768
  951    HB3  ASN 113           HB1      ASN 113 116.749  13.754 -19.229
  952   HD21  ASN 113          HD21      ASN 113 116.193  14.717 -16.423
  953   HD22  ASN 113          HD22      ASN 113 114.658  14.099 -16.040
  954    H    SER 114           HN       SER 114 119.665  12.055 -18.461
  955    HA   SER 114           HA       SER 114 120.515  11.145 -21.065
  956    HB2  SER 114           HB2      SER 114 121.477  13.257 -21.808
  957    HB3  SER 114           HB1      SER 114 119.742  13.448 -21.569
  958    HG   SER 114           HG       SER 114 120.906  15.151 -20.606
  959    H    GLN 115           HN       GLN 115 122.796  10.930 -21.220
  960    HA   GLN 115           HA       GLN 115 124.120  10.896 -18.593
  961    HB2  GLN 115           HB2      GLN 115 124.844   9.535 -21.200
  962    HB3  GLN 115           HB1      GLN 115 125.745   9.382 -19.691
  963    HG2  GLN 115           HG2      GLN 115 123.894   8.328 -18.590
  964    HG3  GLN 115           HG1      GLN 115 122.801   8.719 -19.917
  965   HE21  GLN 115          HE21      GLN 115 124.461   6.154 -18.639
  966   HE22  GLN 115          HE22      GLN 115 124.697   5.239 -20.048
  967    H    THR 116           HN       THR 116 123.761  13.138 -20.780
  968    HA   THR 116           HA       THR 116 126.346  13.825 -21.690
  969    HB   THR 116           HB       THR 116 124.184  15.825 -21.041
  970    HG1  THR 116           HG1      THR 116 123.010  14.551 -22.249
  971   HG21  THR 116          HG21      THR 116 125.116  17.009 -22.937
  972   HG22  THR 116          HG22      THR 116 126.171  15.647 -23.321
  973   HG23  THR 116          HG23      THR 116 126.437  16.583 -21.849
  974    H    ASP 117           HN       ASP 117 124.537  14.737 -18.776
  975    HA   ASP 117           HA       ASP 117 126.451  16.550 -17.750
  976    HB2  ASP 117           HB2      ASP 117 124.211  14.958 -16.532
  977    HB3  ASP 117           HB1      ASP 117 125.297  15.903 -15.515
  978    H    LEU 118           HN       LEU 118 125.925  13.079 -17.190
  979    HA   LEU 118           HA       LEU 118 128.639  12.955 -16.016
  980    HB2  LEU 118           HB2      LEU 118 126.272  11.199 -15.321
  981    HB3  LEU 118           HB1      LEU 118 127.876  11.134 -14.590
  982    HG   LEU 118           HG       LEU 118 126.032  13.540 -14.514
  983   HD11  LEU 118          HD11      LEU 118 126.338  12.762 -11.937
  984   HD12  LEU 118          HD12      LEU 118 126.411  11.192 -12.736
  985   HD13  LEU 118          HD13      LEU 118 124.998  12.225 -12.951
  986   HD21  LEU 118          HD21      LEU 118 128.095  14.512 -14.218
  987   HD22  LEU 118          HD22      LEU 118 128.844  13.005 -13.690
  988   HD23  LEU 118          HD23      LEU 118 127.856  13.941 -12.567
  989    H    GLU 119           HN       GLU 119 129.243  12.640 -18.321
  990    HA   GLU 119           HA       GLU 119 128.481  10.095 -19.518
  991    HB2  GLU 119           HB2      GLU 119 128.797  12.222 -20.850
  992    HB3  GLU 119           HB1      GLU 119 130.524  12.081 -20.524
  993    HG2  GLU 119           HG2      GLU 119 130.146  11.038 -22.650
  994    HG3  GLU 119           HG1      GLU 119 130.404   9.737 -21.488
  995    H    HIS 120           HN       HIS 120 129.759   8.311 -19.679
  996    HA   HIS 120           HA       HIS 120 131.839   7.942 -17.784
  997    HB2  HIS 120           HB2      HIS 120 130.597   6.332 -19.952
  998    HB3  HIS 120           HB1      HIS 120 132.205   5.847 -19.415
  999    HD1  HIS 120           HD1      HIS 120 132.441   5.507 -16.721
 1000    HD2  HIS 120           HD2      HIS 120 128.560   5.532 -18.245
 1001    HE1  HIS 120           HE1      HIS 120 130.964   4.481 -14.937
 1002    HE2  HIS 120           HE2      HIS 120 128.595   4.490 -15.850
 1003    H    HIS 121           HN       HIS 121 131.818   8.562 -21.266
 1004    HA   HIS 121           HA       HIS 121 134.761   8.841 -21.171
 1005    HB2  HIS 121           HB2      HIS 121 132.921   8.120 -23.460
 1006    HB3  HIS 121           HB1      HIS 121 134.629   8.511 -23.665
 1007    HD1  HIS 121           HD1      HIS 121 132.336   5.828 -22.496
 1008    HD2  HIS 121           HD2      HIS 121 136.433   6.592 -22.463
 1009    HE1  HIS 121           HE1      HIS 121 133.466   3.645 -21.888
 1010    HE2  HIS 121           HE2      HIS 121 135.966   4.095 -21.863
 1011    H    HIS 122           HN       HIS 122 135.601  10.801 -21.523
 1012    HA   HIS 122           HA       HIS 122 133.997  13.111 -21.709
 1013    HB2  HIS 122           HB2      HIS 122 136.333  13.019 -20.799
 1014    HB3  HIS 122           HB1      HIS 122 136.919  12.872 -22.456
 1015    HD1  HIS 122           HD1      HIS 122 134.296  15.158 -20.868
 1016    HD2  HIS 122           HD2      HIS 122 137.724  15.391 -23.230
 1017    HE1  HIS 122           HE1      HIS 122 134.606  17.605 -21.441
 1018    HE2  HIS 122           HE2      HIS 122 136.693  17.764 -22.880
 1019    H    HIS 123           HN       HIS 123 135.883  11.357 -24.155
 1020    HA   HIS 123           HA       HIS 123 134.713  13.068 -26.248
 1021    HB2  HIS 123           HB2      HIS 123 137.083  11.199 -26.209
 1022    HB3  HIS 123           HB1      HIS 123 136.423  11.859 -27.706
 1023    HD1  HIS 123           HD1      HIS 123 138.622  12.689 -24.887
 1024    HD2  HIS 123           HD2      HIS 123 136.483  14.814 -27.765
 1025    HE1  HIS 123           HE1      HIS 123 139.560  15.041 -24.884
 1026    HE2  HIS 123           HE2      HIS 123 138.265  16.350 -26.633
 1027    H    HIS 124           HN       HIS 124 133.128  12.328 -27.508
 1028    HA   HIS 124           HA       HIS 124 131.921   9.799 -27.081
 1029    HB2  HIS 124           HB2      HIS 124 131.597  11.800 -29.330
 1030    HB3  HIS 124           HB1      HIS 124 130.565  10.389 -29.097
 1031    HD1  HIS 124           HD1      HIS 124 129.471  10.277 -26.542
 1032    HD2  HIS 124           HD2      HIS 124 130.684  14.010 -27.948
 1033    HE1  HIS 124           HE1      HIS 124 128.297  12.001 -25.104
 1034    HE2  HIS 124           HE2      HIS 124 129.027  14.282 -25.949
 1035    H    HIS 125           HN       HIS 125 134.051  11.044 -29.632
 1036    HA   HIS 125           HA       HIS 125 134.639   8.259 -30.393
 1037    HB2  HIS 125           HB2      HIS 125 134.037  10.520 -32.315
 1038    HB3  HIS 125           HB1      HIS 125 134.640   8.928 -32.779
 1039    HD1  HIS 125           HD1      HIS 125 133.034   6.873 -31.747
 1040    HD2  HIS 125           HD2      HIS 125 131.282  10.610 -32.328
 1041    HE1  HIS 125           HE1      HIS 125 130.531   6.489 -31.805
 1042    HE2  HIS 125           HE2      HIS 125 129.449   8.759 -32.159
  Start of MODEL    3
    1    H21  MYR   1          1H2       MYR   1 115.515   8.886  -0.397
    2    H22  MYR   1          2H2       MYR   1 115.634   9.230   1.189
    3    H31  MYR   1          1H3       MYR   1 113.577   8.031   0.477
    4    H32  MYR   1          2H3       MYR   1 113.367   9.305   1.467
    5    H41  MYR   1          1H4       MYR   1 113.046  10.628  -0.616
    6    H42  MYR   1          2H4       MYR   1 112.822   9.192  -1.347
    7    H51  MYR   1          1H5       MYR   1 110.994  10.613   0.140
    8    H52  MYR   1          2H5       MYR   1 110.715   9.284  -0.767
    9    H61  MYR   1          1H6       MYR   1 111.546   7.954   1.096
   10    H62  MYR   1          2H6       MYR   1 111.570   9.315   1.994
   11    H71  MYR   1          1H7       MYR   1 109.281   9.473   1.987
   12    H72  MYR   1          2H7       MYR   1 109.138   8.337   0.827
   13    H81  MYR   1          1H8       MYR   1 110.230   6.934   2.724
   14    H82  MYR   1          2H8       MYR   1 109.355   7.987   3.607
   15    H91  MYR   1          1H9       MYR   1 107.425   7.059   3.042
   16    H92  MYR   1          2H9       MYR   1 107.928   6.678   1.541
   17   H101  MYR   1          1H10      MYR   1 108.073   4.610   2.212
   18   H102  MYR   1          2H10      MYR   1 109.363   5.055   3.100
   19   H111  MYR   1          1H11      MYR   1 108.260   4.880   5.007
   20   H112  MYR   1          2H11      MYR   1 106.901   5.531   4.393
   21   H121  MYR   1          1H12      MYR   1 106.304   3.372   4.858
   22   H122  MYR   1          2H12      MYR   1 106.552   3.364   3.250
   23   H131  MYR   1          1H13      MYR   1 108.613   2.334   3.487
   24   H132  MYR   1          2H13      MYR   1 108.618   2.567   5.097
   25   H141  MYR   1          1H14      MYR   1 106.566   0.935   3.938
   26   H142  MYR   1          2H14      MYR   1 108.035   0.286   4.252
   27   H143  MYR   1          3H14      MYR   1 107.139   0.901   5.470
   28    H    GLY   2           HN       GLY   2 117.086  10.296  -0.592
   29    HA2  GLY   2           HA2      GLY   2 118.261  12.131   0.157
   30    HA3  GLY   2           HA1      GLY   2 116.736  13.012   0.183
   31    H    GLN   3           HN       GLN   3 117.533  13.996   2.150
   32    HA   GLN   3           HA       GLN   3 118.248  12.678   4.496
   33    HB2  GLN   3           HB2      GLN   3 116.722  15.267   4.147
   34    HB3  GLN   3           HB1      GLN   3 117.421  14.719   5.670
   35    HG2  GLN   3           HG2      GLN   3 119.655  14.702   4.685
   36    HG3  GLN   3           HG1      GLN   3 118.991  15.140   3.112
   37   HE21  GLN   3          HE21      GLN   3 120.382  16.450   5.906
   38   HE22  GLN   3          HE22      GLN   3 119.865  18.055   5.709
   39    H    GLU   4           HN       GLU   4 115.179  12.916   2.954
   40    HA   GLU   4           HA       GLU   4 113.357  12.648   4.999
   41    HB2  GLU   4           HB2      GLU   4 112.913  12.759   2.479
   42    HB3  GLU   4           HB1      GLU   4 113.173  11.019   2.477
   43    HG2  GLU   4           HG2      GLU   4 110.807  11.379   2.722
   44    HG3  GLU   4           HG1      GLU   4 111.421  10.834   4.276
   45    H    LEU   5           HN       LEU   5 115.821  10.480   4.077
   46    HA   LEU   5           HA       LEU   5 114.934   7.966   4.649
   47    HB2  LEU   5           HB2      LEU   5 117.286   8.540   4.047
   48    HB3  LEU   5           HB1      LEU   5 117.532   9.134   5.688
   49    HG   LEU   5           HG       LEU   5 116.947   6.883   6.574
   50   HD11  LEU   5          HD11      LEU   5 116.419   6.424   3.676
   51   HD12  LEU   5          HD12      LEU   5 115.607   5.753   5.090
   52   HD13  LEU   5          HD13      LEU   5 117.161   5.100   4.574
   53   HD21  LEU   5          HD21      LEU   5 119.159   7.003   4.511
   54   HD22  LEU   5          HD22      LEU   5 118.993   5.718   5.709
   55   HD23  LEU   5          HD23      LEU   5 119.288   7.378   6.230
   56    H    SER   6           HN       SER   6 115.618  10.541   6.958
   57    HA   SER   6           HA       SER   6 115.507   9.109   9.355
   58    HB2  SER   6           HB2      SER   6 114.920  11.218  10.408
   59    HB3  SER   6           HB1      SER   6 116.099  11.526   9.135
   60    HG   SER   6           HG       SER   6 113.303  11.963   9.131
   61    H    GLN   7           HN       GLN   7 112.939  10.207   7.216
   62    HA   GLN   7           HA       GLN   7 110.716   9.892   8.883
   63    HB2  GLN   7           HB2      GLN   7 110.623  10.886   6.611
   64    HB3  GLN   7           HB1      GLN   7 110.896   9.285   5.922
   65    HG2  GLN   7           HG2      GLN   7 108.827   8.467   6.989
   66    HG3  GLN   7           HG1      GLN   7 108.556  10.063   7.685
   67   HE21  GLN   7          HE21      GLN   7 106.647   8.882   5.919
   68   HE22  GLN   7          HE22      GLN   7 106.627   9.779   4.478
   69    H    HIS   8           HN       HIS   8 112.475   7.507   6.898
   70    HA   HIS   8           HA       HIS   8 110.763   5.316   7.265
   71    HB2  HIS   8           HB2      HIS   8 112.646   5.327   5.673
   72    HB3  HIS   8           HB1      HIS   8 113.784   5.335   7.021
   73    HD1  HIS   8           HD1      HIS   8 111.062   3.165   5.508
   74    HD2  HIS   8           HD2      HIS   8 114.297   2.819   8.115
   75    HE1  HIS   8           HE1      HIS   8 111.333   0.694   5.988
   76    HE2  HIS   8           HE2      HIS   8 113.302   0.466   7.576
   77    H    GLU   9           HN       GLU   9 113.622   6.324   9.146
   78    HA   GLU   9           HA       GLU   9 113.637   4.331  11.089
   79    HB2  GLU   9           HB2      GLU   9 115.323   6.151  10.924
   80    HB3  GLU   9           HB1      GLU   9 114.132   7.282  11.568
   81    HG2  GLU   9           HG2      GLU   9 113.978   5.992  13.638
   82    HG3  GLU   9           HG1      GLU   9 115.089   4.786  12.994
   83    H    ARG  10           HN       ARG  10 111.481   7.077  10.753
   84    HA   ARG  10           HA       ARG  10 110.218   6.685  13.345
   85    HB2  ARG  10           HB2      ARG  10 109.290   8.354  10.994
   86    HB3  ARG  10           HB1      ARG  10 108.696   8.447  12.647
   87    HG2  ARG  10           HG2      ARG  10 110.888   9.131  13.467
   88    HG3  ARG  10           HG1      ARG  10 111.580   8.952  11.853
   89    HD2  ARG  10           HD2      ARG  10 110.044  10.696  11.013
   90    HD3  ARG  10           HD1      ARG  10 109.384  10.891  12.634
   91    HE   ARG  10           HE       ARG  10 112.238  11.222  12.577
   92   HH11  ARG  10          HH11      ARG  10 113.010  13.334  12.906
   93   HH12  ARG  10          HH12      ARG  10 111.934  14.680  12.736
   94   HH21  ARG  10          HH21      ARG  10 109.184  12.722  11.945
   95   HH22  ARG  10          HH22      ARG  10 109.767  14.333  12.193
   96    H    TYR  11           HN       TYR  11 109.287   6.219   9.943
   97    HA   TYR  11           HA       TYR  11 106.748   5.174  10.266
   98    HB2  TYR  11           HB2      TYR  11 107.813   5.632   8.065
   99    HB3  TYR  11           HB1      TYR  11 108.829   4.208   8.286
  100    HD1  TYR  11           HD1      TYR  11 107.982   1.998   7.906
  101    HD2  TYR  11           HD2      TYR  11 105.323   5.373   7.924
  102    HE1  TYR  11           HE1      TYR  11 106.162   0.568   7.023
  103    HE2  TYR  11           HE2      TYR  11 103.506   3.940   7.044
  104    HH   TYR  11           HH       TYR  11 103.888   1.200   5.540
  105    H    VAL  12           HN       VAL  12 109.878   3.503  10.500
  106    HA   VAL  12           HA       VAL  12 108.887   0.867  10.820
  107    HB   VAL  12           HB       VAL  12 111.404   2.270  11.704
  108   HG11  VAL  12          HG11      VAL  12 112.124  -0.209  12.188
  109   HG12  VAL  12          HG12      VAL  12 110.397  -0.468  12.436
  110   HG13  VAL  12          HG13      VAL  12 111.267   0.701  13.432
  111   HG21  VAL  12          HG21      VAL  12 110.997  -0.103   9.864
  112   HG22  VAL  12          HG22      VAL  12 112.411   0.947   9.985
  113   HG23  VAL  12          HG23      VAL  12 110.913   1.565   9.291
  114    H    GLU  13           HN       GLU  13 109.985   3.142  13.368
  115    HA   GLU  13           HA       GLU  13 109.035   1.546  15.515
  116    HB2  GLU  13           HB2      GLU  13 109.604   4.513  15.331
  117    HB3  GLU  13           HB1      GLU  13 109.248   3.667  16.837
  118    HG2  GLU  13           HG2      GLU  13 111.186   2.228  16.548
  119    HG3  GLU  13           HG1      GLU  13 111.507   2.923  14.960
  120    H    GLN  14           HN       GLN  14 107.566   4.217  13.728
  121    HA   GLN  14           HA       GLN  14 105.248   4.439  15.324
  122    HB2  GLN  14           HB2      GLN  14 106.085   6.193  13.730
  123    HB3  GLN  14           HB1      GLN  14 105.547   5.162  12.401
  124    HG2  GLN  14           HG2      GLN  14 103.808   6.814  12.890
  125    HG3  GLN  14           HG1      GLN  14 103.233   5.210  13.371
  126   HE21  GLN  14          HE21      GLN  14 101.883   5.793  15.145
  127   HE22  GLN  14          HE22      GLN  14 102.457   6.596  16.526
  128    H    LEU  15           HN       LEU  15 105.234   3.442  11.932
  129    HA   LEU  15           HA       LEU  15 102.867   2.222  11.711
  130    HB2  LEU  15           HB2      LEU  15 104.991   2.201  10.098
  131    HB3  LEU  15           HB1      LEU  15 105.188   0.579  10.758
  132    HG   LEU  15           HG       LEU  15 103.860   0.469   8.709
  133   HD11  LEU  15          HD11      LEU  15 103.259  -0.876  10.845
  134   HD12  LEU  15          HD12      LEU  15 102.091  -0.820   9.532
  135   HD13  LEU  15          HD13      LEU  15 101.875   0.211  10.941
  136   HD21  LEU  15          HD21      LEU  15 101.542   1.930   9.776
  137   HD22  LEU  15          HD22      LEU  15 102.265   2.008   8.174
  138   HD23  LEU  15          HD23      LEU  15 102.931   2.970   9.488
  139    H    LYS  16           HN       LYS  16 105.708   0.679  13.193
  140    HA   LYS  16           HA       LYS  16 104.448  -1.766  13.834
  141    HB2  LYS  16           HB2      LYS  16 106.826  -0.299  14.937
  142    HB3  LYS  16           HB1      LYS  16 106.257  -1.786  15.686
  143    HG2  LYS  16           HG2      LYS  16 106.403  -2.882  13.415
  144    HG3  LYS  16           HG1      LYS  16 107.141  -1.404  12.823
  145    HD2  LYS  16           HD2      LYS  16 109.108  -1.762  13.910
  146    HD3  LYS  16           HD1      LYS  16 108.356  -2.590  15.267
  147    HE2  LYS  16           HE2      LYS  16 108.829  -3.722  12.504
  148    HE3  LYS  16           HE1      LYS  16 109.642  -4.193  13.996
  149    HZ1  LYS  16           HZ1      LYS  16 106.889  -4.348  14.424
  150    HZ2  LYS  16           HZ2      LYS  16 108.019  -5.611  14.402
  151    HZ3  LYS  16           HZ3      LYS  16 107.224  -5.157  12.973
  152    H    GLN  17           HN       GLN  17 104.743   1.256  15.639
  153    HA   GLN  17           HA       GLN  17 103.456   0.347  18.015
  154    HB2  GLN  17           HB2      GLN  17 103.990   3.057  16.820
  155    HB3  GLN  17           HB1      GLN  17 103.008   2.893  18.273
  156    HG2  GLN  17           HG2      GLN  17 105.750   1.649  18.001
  157    HG3  GLN  17           HG1      GLN  17 105.495   3.261  18.671
  158   HE21  GLN  17          HE21      GLN  17 106.001   0.177  19.680
  159   HE22  GLN  17          HE22      GLN  17 105.105   0.185  21.120
  160    H    ALA  18           HN       ALA  18 102.233   2.439  15.379
  161    HA   ALA  18           HA       ALA  18  99.564   2.520  16.068
  162    HB1  ALA  18           HB1      ALA  18 100.923   3.549  14.027
  163    HB2  ALA  18           HB2      ALA  18  99.172   3.341  13.952
  164    HB3  ALA  18           HB3      ALA  18 100.235   2.163  13.184
  165    H    LEU  19           HN       LEU  19 101.403  -0.149  15.120
  166    HA   LEU  19           HA       LEU  19  99.126  -1.745  14.189
  167    HB2  LEU  19           HB2      LEU  19 102.018  -1.972  14.057
  168    HB3  LEU  19           HB1      LEU  19 101.261  -3.490  14.535
  169    HG   LEU  19           HG       LEU  19 100.365  -1.826  12.163
  170   HD11  LEU  19          HD11      LEU  19 102.717  -2.821  12.020
  171   HD12  LEU  19          HD12      LEU  19 101.591  -3.315  10.757
  172   HD13  LEU  19          HD13      LEU  19 101.943  -4.401  12.101
  173   HD21  LEU  19          HD21      LEU  19  98.617  -3.253  12.125
  174   HD22  LEU  19          HD22      LEU  19  99.211  -4.021  13.597
  175   HD23  LEU  19          HD23      LEU  19  99.728  -4.617  12.020
  176    H    LYS  20           HN       LYS  20 101.440  -1.776  16.890
  177    HA   LYS  20           HA       LYS  20 100.638  -3.924  18.328
  178    HB2  LYS  20           HB2      LYS  20 102.409  -2.318  19.023
  179    HB3  LYS  20           HB1      LYS  20 101.144  -1.201  19.533
  180    HG2  LYS  20           HG2      LYS  20 100.318  -2.792  21.165
  181    HG3  LYS  20           HG1      LYS  20 101.443  -4.024  20.594
  182    HD2  LYS  20           HD2      LYS  20 103.339  -2.534  21.239
  183    HD3  LYS  20           HD1      LYS  20 102.175  -1.386  21.900
  184    HE2  LYS  20           HE2      LYS  20 102.433  -4.272  22.790
  185    HE3  LYS  20           HE1      LYS  20 103.132  -2.896  23.644
  186    HZ1  LYS  20           HZ1      LYS  20 101.186  -2.846  24.705
  187    HZ2  LYS  20           HZ2      LYS  20 100.403  -3.807  23.544
  188    HZ3  LYS  20           HZ3      LYS  20 100.571  -2.135  23.293
  189    H    THR  21           HN       THR  21  98.920  -0.899  17.947
  190    HA   THR  21           HA       THR  21  96.961  -1.301  19.963
  191    HB   THR  21           HB       THR  21  97.460   0.843  18.677
  192    HG1  THR  21           HG1      THR  21  94.744   0.493  18.480
  193   HG21  THR  21          HG21      THR  21  96.694   1.140  16.527
  194   HG22  THR  21          HG22      THR  21  95.389  -0.028  16.721
  195   HG23  THR  21          HG23      THR  21  97.038  -0.585  16.474
  196    H    ARG  22           HN       ARG  22  97.222  -2.430  16.652
  197    HA   ARG  22           HA       ARG  22  94.542  -3.373  16.435
  198    HB2  ARG  22           HB2      ARG  22  97.039  -3.635  14.833
  199    HB3  ARG  22           HB1      ARG  22  95.785  -4.840  14.578
  200    HG2  ARG  22           HG2      ARG  22  95.003  -1.950  14.649
  201    HG3  ARG  22           HG1      ARG  22  95.780  -2.572  13.187
  202    HD2  ARG  22           HD2      ARG  22  93.392  -3.909  14.493
  203    HD3  ARG  22           HD1      ARG  22  93.242  -2.709  13.214
  204    HE   ARG  22           HE       ARG  22  94.102  -5.449  12.913
  205   HH11  ARG  22          HH11      ARG  22  94.564  -6.099  10.785
  206   HH12  ARG  22          HH12      ARG  22  94.780  -4.906   9.548
  207   HH21  ARG  22          HH21      ARG  22  94.249  -2.221  11.678
  208   HH22  ARG  22          HH22      ARG  22  94.602  -2.709  10.054
  209    H    GLY  23           HN       GLY  23  97.208  -4.448  18.173
  210    HA2  GLY  23           HA2      GLY  23  96.883  -6.268  19.772
  211    HA3  GLY  23           HA1      GLY  23  95.939  -7.099  18.540
  212    H    VAL  24           HN       VAL  24  98.871  -5.468  17.638
  213    HA   VAL  24           HA       VAL  24 100.097  -8.085  17.105
  214    HB   VAL  24           HB       VAL  24 100.899  -5.402  15.984
  215   HG11  VAL  24          HG11      VAL  24 102.690  -6.870  15.640
  216   HG12  VAL  24          HG12      VAL  24 101.762  -7.055  14.155
  217   HG13  VAL  24          HG13      VAL  24 101.639  -8.267  15.425
  218   HG21  VAL  24          HG21      VAL  24  99.687  -6.331  13.902
  219   HG22  VAL  24          HG22      VAL  24  98.658  -5.752  15.213
  220   HG23  VAL  24          HG23      VAL  24  98.929  -7.482  15.001
  221    H    LYS  25           HN       LYS  25 102.577  -8.038  17.199
  222    HA   LYS  25           HA       LYS  25 103.386  -6.648  19.666
  223    HB2  LYS  25           HB2      LYS  25 103.325  -9.208  19.638
  224    HB3  LYS  25           HB1      LYS  25 104.692  -9.115  18.528
  225    HG2  LYS  25           HG2      LYS  25 105.995  -7.862  20.174
  226    HG3  LYS  25           HG1      LYS  25 104.617  -7.842  21.277
  227    HD2  LYS  25           HD2      LYS  25 104.661 -10.309  21.381
  228    HD3  LYS  25           HD1      LYS  25 106.051 -10.326  20.296
  229    HE2  LYS  25           HE2      LYS  25 107.376  -9.066  21.921
  230    HE3  LYS  25           HE1      LYS  25 105.985  -8.956  23.000
  231    HZ1  LYS  25           HZ1      LYS  25 107.293 -10.747  23.759
  232    HZ2  LYS  25           HZ2      LYS  25 107.472 -11.391  22.196
  233    HZ3  LYS  25           HZ3      LYS  25 105.963 -11.447  22.974
  234    H    VAL  26           HN       VAL  26 105.550  -5.834  19.786
  235    HA   VAL  26           HA       VAL  26 106.880  -5.449  17.176
  236    HB   VAL  26           HB       VAL  26 107.285  -3.102  17.713
  237   HG11  VAL  26          HG11      VAL  26 105.215  -3.678  16.507
  238   HG12  VAL  26          HG12      VAL  26 104.959  -2.287  17.563
  239   HG13  VAL  26          HG13      VAL  26 104.369  -3.878  18.041
  240   HG21  VAL  26          HG21      VAL  26 105.565  -2.494  19.803
  241   HG22  VAL  26          HG22      VAL  26 107.316  -2.628  19.944
  242   HG23  VAL  26          HG23      VAL  26 106.292  -4.009  20.337
  243    H    LYS  27           HN       LYS  27 108.384  -7.040  17.817
  244    HA   LYS  27           HA       LYS  27 110.153  -6.299  20.062
  245    HB2  LYS  27           HB2      LYS  27 110.956  -8.672  19.882
  246    HB3  LYS  27           HB1      LYS  27 109.269  -8.503  20.369
  247    HG2  LYS  27           HG2      LYS  27 108.495  -9.007  18.151
  248    HG3  LYS  27           HG1      LYS  27 110.131  -8.927  17.498
  249    HD2  LYS  27           HD2      LYS  27 110.800 -10.892  18.720
  250    HD3  LYS  27           HD1      LYS  27 109.274 -10.921  19.615
  251    HE2  LYS  27           HE2      LYS  27 108.056 -11.292  17.477
  252    HE3  LYS  27           HE1      LYS  27 109.595 -11.319  16.622
  253    HZ1  LYS  27           HZ1      LYS  27 110.238 -13.158  18.194
  254    HZ2  LYS  27           HZ2      LYS  27 109.042 -13.546  17.050
  255    HZ3  LYS  27           HZ3      LYS  27 108.609 -13.224  18.661
  256    H    TYR  28           HN       TYR  28 112.487  -6.898  19.718
  257    HA   TYR  28           HA       TYR  28 113.535  -5.527  17.488
  258    HB2  TYR  28           HB2      TYR  28 114.802  -5.763  19.557
  259    HB3  TYR  28           HB1      TYR  28 114.864  -7.511  19.337
  260    HD1  TYR  28           HD1      TYR  28 115.836  -4.281  17.740
  261    HD2  TYR  28           HD2      TYR  28 116.553  -8.507  18.013
  262    HE1  TYR  28           HE1      TYR  28 117.859  -4.028  16.328
  263    HE2  TYR  28           HE2      TYR  28 118.576  -8.255  16.602
  264    HH   TYR  28           HH       TYR  28 119.201  -5.629  14.740
  265    H    ALA  29           HN       ALA  29 113.051  -8.965  18.144
  266    HA   ALA  29           HA       ALA  29 114.379 -10.038  15.936
  267    HB1  ALA  29           HB1      ALA  29 111.906 -11.423  16.699
  268    HB2  ALA  29           HB2      ALA  29 113.014 -11.098  18.029
  269    HB3  ALA  29           HB3      ALA  29 113.561 -12.018  16.631
  270    H    ASP  30           HN       ASP  30 111.417  -8.319  16.154
  271    HA   ASP  30           HA       ASP  30 110.239  -9.302  13.716
  272    HB2  ASP  30           HB2      ASP  30 109.654  -7.034  15.571
  273    HB3  ASP  30           HB1      ASP  30 108.896  -7.069  14.003
  274    H    LEU  31           HN       LEU  31 112.083  -6.405  14.593
  275    HA   LEU  31           HA       LEU  31 111.931  -5.101  12.085
  276    HB2  LEU  31           HB2      LEU  31 113.974  -5.124  14.324
  277    HB3  LEU  31           HB1      LEU  31 114.257  -4.190  12.856
  278    HG   LEU  31           HG       LEU  31 111.726  -3.393  13.417
  279   HD11  LEU  31          HD11      LEU  31 113.042  -3.780  16.110
  280   HD12  LEU  31          HD12      LEU  31 111.772  -4.833  15.494
  281   HD13  LEU  31          HD13      LEU  31 111.438  -3.131  15.802
  282   HD21  LEU  31          HD21      LEU  31 114.306  -2.300  14.556
  283   HD22  LEU  31          HD22      LEU  31 112.779  -1.418  14.517
  284   HD23  LEU  31          HD23      LEU  31 113.566  -1.884  13.009
  285    H    LEU  32           HN       LEU  32 114.226  -7.538  13.279
  286    HA   LEU  32           HA       LEU  32 116.049  -7.539  11.197
  287    HB2  LEU  32           HB2      LEU  32 114.912 -10.047  12.458
  288    HB3  LEU  32           HB1      LEU  32 116.520  -9.832  11.758
  289    HG   LEU  32           HG       LEU  32 115.461  -8.369  14.208
  290   HD11  LEU  32          HD11      LEU  32 116.998  -9.721  15.470
  291   HD12  LEU  32          HD12      LEU  32 117.706 -10.401  14.005
  292   HD13  LEU  32          HD13      LEU  32 116.058 -10.827  14.469
  293   HD21  LEU  32          HD21      LEU  32 116.977  -6.855  13.324
  294   HD22  LEU  32          HD22      LEU  32 117.914  -8.103  12.503
  295   HD23  LEU  32          HD23      LEU  32 118.079  -7.877  14.244
  296    H    LYS  33           HN       LYS  33 113.163  -9.620  11.351
  297    HA   LYS  33           HA       LYS  33 113.411 -10.507   8.671
  298    HB2  LYS  33           HB2      LYS  33 112.197 -11.749  10.468
  299    HB3  LYS  33           HB1      LYS  33 110.928 -10.527  10.397
  300    HG2  LYS  33           HG2      LYS  33 110.489 -11.059   8.052
  301    HG3  LYS  33           HG1      LYS  33 111.823 -12.212   8.039
  302    HD2  LYS  33           HD2      LYS  33 110.678 -13.559   9.766
  303    HD3  LYS  33           HD1      LYS  33 109.335 -12.414   9.767
  304    HE2  LYS  33           HE2      LYS  33 108.935 -12.895   7.371
  305    HE3  LYS  33           HE1      LYS  33 110.262 -14.057   7.390
  306    HZ1  LYS  33           HZ1      LYS  33 109.088 -15.522   8.671
  307    HZ2  LYS  33           HZ2      LYS  33 107.821 -14.831   7.773
  308    HZ3  LYS  33           HZ3      LYS  33 108.111 -14.323   9.369
  309    H    PHE  34           HN       PHE  34 111.058  -8.299  10.161
  310    HA   PHE  34           HA       PHE  34 109.717  -7.606   7.820
  311    HB2  PHE  34           HB2      PHE  34 109.874  -6.587  10.534
  312    HB3  PHE  34           HB1      PHE  34 109.645  -5.299   9.369
  313    HD1  PHE  34           HD1      PHE  34 108.040  -7.864  11.251
  314    HD2  PHE  34           HD2      PHE  34 107.823  -5.704   7.545
  315    HE1  PHE  34           HE1      PHE  34 105.650  -8.489  11.026
  316    HE2  PHE  34           HE2      PHE  34 105.436  -6.328   7.319
  317    HZ   PHE  34           HZ       PHE  34 104.350  -7.726   9.059
  318    H    PHE  35           HN       PHE  35 112.590  -6.157   9.246
  319    HA   PHE  35           HA       PHE  35 112.738  -3.971   7.400
  320    HB2  PHE  35           HB2      PHE  35 113.822  -4.165   9.719
  321    HB3  PHE  35           HB1      PHE  35 115.082  -5.118   8.924
  322    HD1  PHE  35           HD1      PHE  35 116.184  -4.032   6.830
  323    HD2  PHE  35           HD2      PHE  35 113.839  -1.851   9.703
  324    HE1  PHE  35           HE1      PHE  35 117.208  -1.911   6.052
  325    HE2  PHE  35           HE2      PHE  35 114.868   0.272   8.915
  326    HZ   PHE  35           HZ       PHE  35 116.549   0.240   7.093
  327    H    ASP  36           HN       ASP  36 114.458  -7.093   7.682
  328    HA   ASP  36           HA       ASP  36 115.926  -6.706   5.250
  329    HB2  ASP  36           HB2      ASP  36 115.500  -9.142   6.978
  330    HB3  ASP  36           HB1      ASP  36 116.549  -9.110   5.564
  331    H    PHE  37           HN       PHE  37 112.817  -7.837   6.045
  332    HA   PHE  37           HA       PHE  37 112.367  -9.656   3.929
  333    HB2  PHE  37           HB2      PHE  37 110.807  -9.758   5.689
  334    HB3  PHE  37           HB1      PHE  37 110.523  -8.015   5.650
  335    HD1  PHE  37           HD1      PHE  37 108.388  -7.494   4.873
  336    HD2  PHE  37           HD2      PHE  37 110.520 -10.775   3.096
  337    HE1  PHE  37           HE1      PHE  37 106.524  -7.848   3.283
  338    HE2  PHE  37           HE2      PHE  37 108.653 -11.127   1.506
  339    HZ   PHE  37           HZ       PHE  37 106.653  -9.664   1.598
  340    H    VAL  38           HN       VAL  38 111.336  -6.264   4.272
  341    HA   VAL  38           HA       VAL  38 110.499  -6.088   1.523
  342    HB   VAL  38           HB       VAL  38 110.518  -3.559   2.111
  343   HG11  VAL  38          HG11      VAL  38 108.454  -3.898   3.538
  344   HG12  VAL  38          HG12      VAL  38 108.830  -5.620   3.557
  345   HG13  VAL  38          HG13      VAL  38 108.457  -4.818   2.032
  346   HG21  VAL  38          HG21      VAL  38 110.382  -4.342   4.941
  347   HG22  VAL  38          HG22      VAL  38 111.121  -2.923   4.209
  348   HG23  VAL  38          HG23      VAL  38 112.002  -4.450   4.252
  349    H    LYS  39           HN       LYS  39 113.433  -5.359   3.289
  350    HA   LYS  39           HA       LYS  39 114.710  -3.712   1.382
  351    HB2  LYS  39           HB2      LYS  39 115.486  -4.149   3.741
  352    HB3  LYS  39           HB1      LYS  39 116.054  -5.723   3.190
  353    HG2  LYS  39           HG2      LYS  39 117.546  -4.683   1.580
  354    HG3  LYS  39           HG1      LYS  39 116.925  -3.085   1.993
  355    HD2  LYS  39           HD2      LYS  39 117.742  -3.370   4.307
  356    HD3  LYS  39           HD1      LYS  39 118.382  -4.958   3.885
  357    HE2  LYS  39           HE2      LYS  39 119.839  -3.904   2.178
  358    HE3  LYS  39           HE1      LYS  39 119.219  -2.320   2.643
  359    HZ1  LYS  39           HZ1      LYS  39 120.255  -4.003   4.781
  360    HZ2  LYS  39           HZ2      LYS  39 120.373  -2.322   4.565
  361    HZ3  LYS  39           HZ3      LYS  39 121.397  -3.366   3.701
  362    H    ASP  40           HN       ASP  40 114.296  -7.193   1.555
  363    HA   ASP  40           HA       ASP  40 116.229  -8.200  -0.078
  364    HB2  ASP  40           HB2      ASP  40 114.414  -9.552   0.910
  365    HB3  ASP  40           HB1      ASP  40 113.278  -8.864  -0.248
  366    H    THR  41           HN       THR  41 113.088  -7.015  -1.322
  367    HA   THR  41           HA       THR  41 114.440  -6.421  -3.886
  368    HB   THR  41           HB       THR  41 112.310  -6.795  -4.984
  369    HG1  THR  41           HG1      THR  41 111.255  -7.616  -2.509
  370   HG21  THR  41          HG21      THR  41 113.895  -8.725  -4.190
  371   HG22  THR  41          HG22      THR  41 112.299  -9.126  -4.826
  372   HG23  THR  41          HG23      THR  41 112.576  -9.108  -3.085
  373    H    CYS  42           HN       CYS  42 113.375  -4.950  -1.183
  374    HA   CYS  42           HA       CYS  42 112.406  -2.889  -0.686
  375    HB2  CYS  42           HB2      CYS  42 114.095  -1.985  -3.002
  376    HB3  CYS  42           HB1      CYS  42 113.691  -1.097  -1.533
  377    HG   CYS  42           HG       CYS  42 115.208  -3.676  -0.937
  378    HA   PRO  43           HA       PRO  43 109.452  -3.168  -4.350
  379    HB2  PRO  43           HB2      PRO  43 107.523  -3.500  -2.108
  380    HB3  PRO  43           HB1      PRO  43 107.652  -4.408  -3.626
  381    HG2  PRO  43           HG2      PRO  43 108.392  -5.477  -1.320
  382    HG3  PRO  43           HG1      PRO  43 109.288  -5.794  -2.811
  383    HD2  PRO  43           HD2      PRO  43 109.995  -3.962  -0.542
  384    HD3  PRO  43           HD1      PRO  43 111.027  -5.033  -1.507
  385    H    TRP  44           HN       TRP  44 109.663  -1.421  -1.355
  386    HA   TRP  44           HA       TRP  44 107.624   0.501  -1.805
  387    HB2  TRP  44           HB2      TRP  44 109.822   0.098   0.083
  388    HB3  TRP  44           HB1      TRP  44 109.526   1.797  -0.269
  389    HD1  TRP  44           HD1      TRP  44 107.631   2.894   1.006
  390    HE1  TRP  44           HE1      TRP  44 105.620   2.061   2.387
  391    HE3  TRP  44           HE3      TRP  44 108.012  -2.131   0.181
  392    HZ2  TRP  44           HZ2      TRP  44 104.342  -0.404   3.049
  393    HZ3  TRP  44           HZ3      TRP  44 106.385  -3.699   1.199
  394    HH2  TRP  44           HH2      TRP  44 104.550  -2.844   2.631
  395    H    PHE  45           HN       PHE  45 109.495  -0.021  -4.091
  396    HA   PHE  45           HA       PHE  45 110.378   1.151  -5.784
  397    HB2  PHE  45           HB2      PHE  45 108.530   2.958  -4.581
  398    HB3  PHE  45           HB1      PHE  45 109.916   3.838  -5.221
  399    HD1  PHE  45           HD1      PHE  45 110.788   2.733  -7.585
  400    HD2  PHE  45           HD2      PHE  45 106.769   2.655  -6.064
  401    HE1  PHE  45           HE1      PHE  45 109.921   2.417  -9.886
  402    HE2  PHE  45           HE2      PHE  45 105.905   2.340  -8.362
  403    HZ   PHE  45           HZ       PHE  45 107.481   2.219 -10.277
  404    HA   PRO  46           HA       PRO  46 114.098   2.073  -3.266
  405    HB2  PRO  46           HB2      PRO  46 115.903   1.257  -5.161
  406    HB3  PRO  46           HB1      PRO  46 115.096   0.163  -4.024
  407    HG2  PRO  46           HG2      PRO  46 114.512   0.693  -6.880
  408    HG3  PRO  46           HG1      PRO  46 114.413  -0.815  -5.958
  409    HD2  PRO  46           HD2      PRO  46 112.261   0.710  -6.636
  410    HD3  PRO  46           HD1      PRO  46 112.286  -0.374  -5.237
  411    H    GLN  47           HN       GLN  47 112.884   3.434  -6.108
  412    HA   GLN  47           HA       GLN  47 115.138   5.210  -6.611
  413    HB2  GLN  47           HB2      GLN  47 112.318   5.177  -7.730
  414    HB3  GLN  47           HB1      GLN  47 113.641   6.184  -8.319
  415    HG2  GLN  47           HG2      GLN  47 113.739   3.157  -8.218
  416    HG3  GLN  47           HG1      GLN  47 113.322   4.084  -9.659
  417   HE21  GLN  47          HE21      GLN  47 115.865   2.445  -8.466
  418   HE22  GLN  47          HE22      GLN  47 117.148   3.405  -9.029
  419    H    GLU  48           HN       GLU  48 111.701   5.734  -5.786
  420    HA   GLU  48           HA       GLU  48 112.429   8.329  -4.607
  421    HB2  GLU  48           HB2      GLU  48 110.563   8.446  -6.109
  422    HB3  GLU  48           HB1      GLU  48 109.756   7.095  -5.315
  423    HG2  GLU  48           HG2      GLU  48 108.844   9.341  -4.669
  424    HG3  GLU  48           HG1      GLU  48 109.411   8.399  -3.298
  425    H    GLY  49           HN       GLY  49 111.581   5.128  -3.691
  426    HA2  GLY  49           HA2      GLY  49 111.427   4.127  -1.603
  427    HA3  GLY  49           HA1      GLY  49 112.062   5.616  -0.919
  428    H    THR  50           HN       THR  50 109.070   4.452  -2.498
  429    HA   THR  50           HA       THR  50 107.516   5.779  -0.363
  430    HB   THR  50           HB       THR  50 107.508   7.097  -2.509
  431    HG1  THR  50           HG1      THR  50 104.923   6.221  -2.333
  432   HG21  THR  50          HG21      THR  50 107.601   5.054  -3.985
  433   HG22  THR  50          HG22      THR  50 106.335   6.200  -4.424
  434   HG23  THR  50          HG23      THR  50 105.918   4.726  -3.553
  435    H    ILE  51           HN       ILE  51 105.161   5.004  -0.455
  436    HA   ILE  51           HA       ILE  51 105.217   2.105  -0.383
  437    HB   ILE  51           HB       ILE  51 102.748   3.718   0.092
  438   HG12  ILE  51          HG12      ILE  51 105.237   3.677   1.774
  439   HG13  ILE  51          HG11      ILE  51 104.209   5.044   1.348
  440   HG21  ILE  51          HG21      ILE  51 102.145   1.931   1.444
  441   HG22  ILE  51          HG22      ILE  51 103.812   1.514   1.820
  442   HG23  ILE  51          HG23      ILE  51 103.136   1.104   0.247
  443   HD11  ILE  51          HD11      ILE  51 103.737   2.902   3.381
  444   HD12  ILE  51          HD12      ILE  51 102.383   3.780   2.671
  445   HD13  ILE  51          HD13      ILE  51 103.627   4.653   3.562
  446    H    ASP  52           HN       ASP  52 104.157   0.742  -1.761
  447    HA   ASP  52           HA       ASP  52 102.468   1.907  -3.871
  448    HB2  ASP  52           HB2      ASP  52 104.727   1.685  -4.819
  449    HB3  ASP  52           HB1      ASP  52 104.756  -0.005  -4.334
  450    H    ILE  53           HN       ILE  53 100.634   0.864  -3.964
  451    HA   ILE  53           HA       ILE  53 100.157  -1.578  -2.537
  452    HB   ILE  53           HB       ILE  53  98.337  -0.258  -4.557
  453   HG12  ILE  53          HG12      ILE  53  99.017   1.407  -2.909
  454   HG13  ILE  53          HG11      ILE  53  97.368   0.911  -2.536
  455   HG21  ILE  53          HG21      ILE  53  96.815  -1.805  -3.906
  456   HG22  ILE  53          HG22      ILE  53  97.140  -1.496  -2.201
  457   HG23  ILE  53          HG23      ILE  53  98.129  -2.649  -3.090
  458   HD11  ILE  53          HD11      ILE  53  99.936   0.232  -1.101
  459   HD12  ILE  53          HD12      ILE  53  98.562  -0.862  -0.969
  460   HD13  ILE  53          HD13      ILE  53  98.416   0.804  -0.426
  461    H    LYS  54           HN       LYS  54 100.527  -0.736  -5.931
  462    HA   LYS  54           HA       LYS  54  99.768  -3.231  -7.016
  463    HB2  LYS  54           HB2      LYS  54 100.022  -1.123  -8.335
  464    HB3  LYS  54           HB1      LYS  54 101.772  -1.262  -8.148
  465    HG2  LYS  54           HG2      LYS  54 101.711  -3.467  -9.274
  466    HG3  LYS  54           HG1      LYS  54  99.966  -3.308  -9.462
  467    HD2  LYS  54           HD2      LYS  54 100.278  -1.284 -10.821
  468    HD3  LYS  54           HD1      LYS  54 102.027  -1.410 -10.619
  469    HE2  LYS  54           HE2      LYS  54 102.010  -3.600 -11.743
  470    HE3  LYS  54           HE1      LYS  54 100.261  -3.495 -11.938
  471    HZ1  LYS  54           HZ1      LYS  54 102.380  -1.980 -13.286
  472    HZ2  LYS  54           HZ2      LYS  54 100.874  -1.233 -13.049
  473    HZ3  LYS  54           HZ3      LYS  54 100.977  -2.681 -13.933
  474    H    ARG  55           HN       ARG  55 103.038  -1.920  -6.431
  475    HA   ARG  55           HA       ARG  55 104.389  -4.326  -7.049
  476    HB2  ARG  55           HB2      ARG  55 105.214  -1.900  -5.473
  477    HB3  ARG  55           HB1      ARG  55 106.299  -3.248  -5.775
  478    HG2  ARG  55           HG2      ARG  55 105.966  -2.956  -8.205
  479    HG3  ARG  55           HG1      ARG  55 104.887  -1.598  -7.892
  480    HD2  ARG  55           HD2      ARG  55 106.722  -0.397  -6.762
  481    HD3  ARG  55           HD1      ARG  55 107.802  -1.752  -7.073
  482    HE   ARG  55           HE       ARG  55 106.874   0.214  -9.016
  483   HH11  ARG  55          HH11      ARG  55 107.902   0.093 -11.038
  484   HH12  ARG  55          HH12      ARG  55 108.880  -1.284 -11.426
  485   HH21  ARG  55          HH21      ARG  55 108.342  -2.856  -8.382
  486   HH22  ARG  55          HH22      ARG  55 109.128  -2.953  -9.922
  487    H    TRP  56           HN       TRP  56 102.995  -3.062  -4.087
  488    HA   TRP  56           HA       TRP  56 104.212  -4.731  -2.240
  489    HB2  TRP  56           HB2      TRP  56 102.916  -2.946  -1.396
  490    HB3  TRP  56           HB1      TRP  56 101.493  -3.464  -2.298
  491    HD1  TRP  56           HD1      TRP  56  99.779  -4.534  -0.781
  492    HE1  TRP  56           HE1      TRP  56  99.835  -6.040   1.311
  493    HE3  TRP  56           HE3      TRP  56 104.831  -4.939  -0.106
  494    HZ2  TRP  56           HZ2      TRP  56 101.765  -7.258   3.035
  495    HZ3  TRP  56           HZ3      TRP  56 105.745  -6.279   1.749
  496    HH2  TRP  56           HH2      TRP  56 104.227  -7.442   3.319
  497    H    ARG  57           HN       ARG  57 101.411  -5.252  -4.280
  498    HA   ARG  57           HA       ARG  57 100.641  -7.767  -3.188
  499    HB2  ARG  57           HB2      ARG  57 100.121  -6.511  -5.901
  500    HB3  ARG  57           HB1      ARG  57  99.433  -8.048  -5.387
  501    HG2  ARG  57           HG2      ARG  57  98.364  -6.980  -3.466
  502    HG3  ARG  57           HG1      ARG  57  99.097  -5.434  -3.892
  503    HD2  ARG  57           HD2      ARG  57  97.900  -5.473  -6.056
  504    HD3  ARG  57           HD1      ARG  57  97.148  -7.000  -5.604
  505    HE   ARG  57           HE       ARG  57  96.485  -4.359  -4.564
  506   HH11  ARG  57          HH11      ARG  57  94.624  -4.302  -3.262
  507   HH12  ARG  57          HH12      ARG  57  93.921  -5.781  -2.700
  508   HH21  ARG  57          HH21      ARG  57  96.273  -7.799  -4.254
  509   HH22  ARG  57          HH22      ARG  57  94.855  -7.761  -3.262
  510    H    ARG  58           HN       ARG  58 102.841  -6.799  -5.780
  511    HA   ARG  58           HA       ARG  58 103.311  -9.352  -6.882
  512    HB2  ARG  58           HB2      ARG  58 104.039  -7.223  -7.921
  513    HB3  ARG  58           HB1      ARG  58 105.255  -7.042  -6.657
  514    HG2  ARG  58           HG2      ARG  58 106.329  -9.132  -7.347
  515    HG3  ARG  58           HG1      ARG  58 105.081  -9.392  -8.566
  516    HD2  ARG  58           HD2      ARG  58 105.753  -7.227  -9.631
  517    HD3  ARG  58           HD1      ARG  58 107.076  -7.113  -8.473
  518    HE   ARG  58           HE       ARG  58 108.210  -8.752  -9.679
  519   HH11  ARG  58          HH11      ARG  58 108.452 -10.144 -11.458
  520   HH12  ARG  58          HH12      ARG  58 107.081 -10.523 -12.446
  521   HH21  ARG  58          HH21      ARG  58 104.881  -8.574 -10.606
  522   HH22  ARG  58          HH22      ARG  58 105.059  -9.635 -11.963
  523    H    VAL  59           HN       VAL  59 105.120  -7.592  -4.370
  524    HA   VAL  59           HA       VAL  59 106.985  -9.688  -3.859
  525    HB   VAL  59           HB       VAL  59 107.528  -7.450  -3.154
  526   HG11  VAL  59          HG11      VAL  59 105.220  -6.664  -2.860
  527   HG12  VAL  59          HG12      VAL  59 106.207  -6.264  -1.461
  528   HG13  VAL  59          HG13      VAL  59 105.075  -7.607  -1.384
  529   HG21  VAL  59          HG21      VAL  59 107.871  -9.625  -1.581
  530   HG22  VAL  59          HG22      VAL  59 106.946  -8.601  -0.474
  531   HG23  VAL  59          HG23      VAL  59 108.475  -8.024  -1.148
  532    H    GLY  60           HN       GLY  60 103.881  -8.816  -2.381
  533    HA2  GLY  60           HA2      GLY  60 103.944 -10.682  -0.268
  534    HA3  GLY  60           HA1      GLY  60 102.492  -9.964  -0.958
  535    H    ASP  61           HN       ASP  61 102.487 -10.878  -3.512
  536    HA   ASP  61           HA       ASP  61 101.558 -13.549  -3.208
  537    HB2  ASP  61           HB2      ASP  61 101.944 -11.673  -5.521
  538    HB3  ASP  61           HB1      ASP  61 101.621 -13.375  -5.833
  539    H    CYS  62           HN       CYS  62 104.514 -12.132  -4.467
  540    HA   CYS  62           HA       CYS  62 105.615 -14.477  -5.602
  541    HB2  CYS  62           HB2      CYS  62 106.877 -11.962  -4.514
  542    HB3  CYS  62           HB1      CYS  62 107.826 -13.261  -5.238
  543    HG   CYS  62           HG       CYS  62 106.390 -12.901  -7.461
  544    H    PHE  63           HN       PHE  63 105.722 -13.146  -2.332
  545    HA   PHE  63           HA       PHE  63 107.527 -15.204  -1.389
  546    HB2  PHE  63           HB2      PHE  63 106.224 -12.791  -0.252
  547    HB3  PHE  63           HB1      PHE  63 106.632 -14.082   0.877
  548    HD1  PHE  63           HD1      PHE  63 108.824 -14.280   1.682
  549    HD2  PHE  63           HD2      PHE  63 108.093 -12.072  -1.930
  550    HE1  PHE  63           HE1      PHE  63 111.203 -13.579   1.627
  551    HE2  PHE  63           HE2      PHE  63 110.471 -11.372  -1.984
  552    HZ   PHE  63           HZ       PHE  63 112.026 -12.125  -0.205
  553    H    GLN  64           HN       GLN  64 104.085 -14.438  -1.130
  554    HA   GLN  64           HA       GLN  64 103.427 -16.525   0.659
  555    HB2  GLN  64           HB2      GLN  64 101.996 -14.515   0.148
  556    HB3  GLN  64           HB1      GLN  64 101.604 -15.270  -1.397
  557    HG2  GLN  64           HG2      GLN  64  99.842 -15.861   0.125
  558    HG3  GLN  64           HG1      GLN  64 100.831 -17.303  -0.086
  559   HE21  GLN  64          HE21      GLN  64 100.538 -18.255   1.990
  560   HE22  GLN  64          HE22      GLN  64 101.014 -17.499   3.433
  561    H    ASP  65           HN       ASP  65 103.558 -16.324  -2.850
  562    HA   ASP  65           HA       ASP  65 102.368 -18.845  -3.379
  563    HB2  ASP  65           HB2      ASP  65 102.508 -17.244  -5.151
  564    HB3  ASP  65           HB1      ASP  65 104.257 -17.122  -4.974
  565    H    TYR  66           HN       TYR  66 105.786 -17.827  -3.239
  566    HA   TYR  66           HA       TYR  66 106.837 -20.435  -3.632
  567    HB2  TYR  66           HB2      TYR  66 108.196 -18.464  -4.051
  568    HB3  TYR  66           HB1      TYR  66 108.072 -17.987  -2.359
  569    HD1  TYR  66           HD1      TYR  66 109.878 -18.528  -0.987
  570    HD2  TYR  66           HD2      TYR  66 108.976 -21.045  -4.351
  571    HE1  TYR  66           HE1      TYR  66 111.833 -19.951  -0.447
  572    HE2  TYR  66           HE2      TYR  66 110.932 -22.467  -3.809
  573    HH   TYR  66           HH       TYR  66 112.739 -22.056  -0.845
  574    H    TYR  67           HN       TYR  67 106.008 -18.574  -0.760
  575    HA   TYR  67           HA       TYR  67 107.117 -20.374   1.127
  576    HB2  TYR  67           HB2      TYR  67 106.581 -18.063   1.730
  577    HB3  TYR  67           HB1      TYR  67 104.874 -18.368   1.444
  578    HD1  TYR  67           HD1      TYR  67 103.581 -18.792   3.333
  579    HD2  TYR  67           HD2      TYR  67 107.719 -19.952   3.325
  580    HE1  TYR  67           HE1      TYR  67 103.350 -19.638   5.650
  581    HE2  TYR  67           HE2      TYR  67 107.486 -20.799   5.641
  582    HH   TYR  67           HH       TYR  67 104.805 -21.582   7.049
  583    H    ASN  68           HN       ASN  68 103.956 -20.098  -0.399
  584    HA   ASN  68           HA       ASN  68 102.565 -21.922   1.206
  585    HB2  ASN  68           HB2      ASN  68 102.207 -21.035  -1.648
  586    HB3  ASN  68           HB1      ASN  68 101.123 -22.204  -0.897
  587   HD21  ASN  68          HD21      ASN  68 100.050 -19.738  -1.696
  588   HD22  ASN  68          HD22      ASN  68  99.693 -18.802  -0.326
  589    H    THR  69           HN       THR  69 104.503 -22.396  -1.711
  590    HA   THR  69           HA       THR  69 103.939 -25.022  -2.336
  591    HB   THR  69           HB       THR  69 106.230 -25.177  -3.235
  592    HG1  THR  69           HG1      THR  69 107.454 -24.252  -1.688
  593   HG21  THR  69          HG21      THR  69 104.533 -22.765  -3.612
  594   HG22  THR  69          HG22      THR  69 105.047 -23.973  -4.783
  595   HG23  THR  69          HG23      THR  69 106.159 -22.698  -4.287
  596    H    PHE  70           HN       PHE  70 105.460 -23.843   0.505
  597    HA   PHE  70           HA       PHE  70 106.557 -26.448   1.197
  598    HB2  PHE  70           HB2      PHE  70 106.542 -23.803   2.670
  599    HB3  PHE  70           HB1      PHE  70 107.311 -25.270   3.275
  600    HD1  PHE  70           HD1      PHE  70 109.332 -26.155   2.248
  601    HD2  PHE  70           HD2      PHE  70 107.415 -22.639   0.697
  602    HE1  PHE  70           HE1      PHE  70 111.343 -25.663   0.882
  603    HE2  PHE  70           HE2      PHE  70 109.424 -22.149  -0.675
  604    HZ   PHE  70           HZ       PHE  70 111.387 -23.662  -0.579
  605    H    GLY  71           HN       GLY  71 103.574 -25.629   0.998
  606    HA2  GLY  71           HA2      GLY  71 101.614 -25.877   2.216
  607    HA3  GLY  71           HA1      GLY  71 102.370 -27.408   2.644
  608    HA   PRO  72           HA       PRO  72 103.540 -24.615   6.300
  609    HB2  PRO  72           HB2      PRO  72 103.137 -21.930   6.163
  610    HB3  PRO  72           HB1      PRO  72 104.581 -22.724   5.504
  611    HG2  PRO  72           HG2      PRO  72 102.210 -21.648   4.095
  612    HG3  PRO  72           HG1      PRO  72 103.896 -21.739   3.577
  613    HD2  PRO  72           HD2      PRO  72 101.866 -23.491   2.777
  614    HD3  PRO  72           HD1      PRO  72 103.610 -23.758   2.612
  615    H    GLU  73           HN       GLU  73 102.217 -24.821   8.019
  616    HA   GLU  73           HA       GLU  73  99.366 -24.311   7.704
  617    HB2  GLU  73           HB2      GLU  73 100.129 -26.406   8.763
  618    HB3  GLU  73           HB1      GLU  73 100.902 -25.468  10.042
  619    HG2  GLU  73           HG2      GLU  73  98.770 -24.563  10.749
  620    HG3  GLU  73           HG1      GLU  73  97.948 -25.318   9.384
  621    H    LYS  74           HN       LYS  74 102.153 -22.885   9.169
  622    HA   LYS  74           HA       LYS  74 100.865 -21.341  11.166
  623    HB2  LYS  74           HB2      LYS  74 103.350 -20.424   9.740
  624    HB3  LYS  74           HB1      LYS  74 102.917 -20.252  11.444
  625    HG2  LYS  74           HG2      LYS  74 103.655 -22.833  10.021
  626    HG3  LYS  74           HG1      LYS  74 104.632 -21.996  11.224
  627    HD2  LYS  74           HD2      LYS  74 102.676 -22.279  12.831
  628    HD3  LYS  74           HD1      LYS  74 101.961 -23.359  11.629
  629    HE2  LYS  74           HE2      LYS  74 103.947 -24.801  11.713
  630    HE3  LYS  74           HE1      LYS  74 104.695 -23.715  12.884
  631    HZ1  LYS  74           HZ1      LYS  74 102.033 -24.819  13.446
  632    HZ2  LYS  74           HZ2      LYS  74 103.246 -24.326  14.528
  633    HZ3  LYS  74           HZ3      LYS  74 103.399 -25.796  13.688
  634    H    VAL  75           HN       VAL  75 101.858 -20.575   7.830
  635    HA   VAL  75           HA       VAL  75 101.492 -18.578   6.646
  636    HB   VAL  75           HB       VAL  75  98.778 -19.732   7.220
  637   HG11  VAL  75          HG11      VAL  75  98.061 -17.781   6.306
  638   HG12  VAL  75          HG12      VAL  75  98.622 -18.488   4.791
  639   HG13  VAL  75          HG13      VAL  75  99.657 -17.372   5.680
  640   HG21  VAL  75          HG21      VAL  75  99.179 -21.118   5.406
  641   HG22  VAL  75          HG22      VAL  75 100.845 -20.915   5.955
  642   HG23  VAL  75          HG23      VAL  75 100.234 -19.944   4.614
  643    HA   PRO  76           HA       PRO  76 100.726 -15.916  10.403
  644    HB2  PRO  76           HB2      PRO  76 102.479 -14.178   8.716
  645    HB3  PRO  76           HB1      PRO  76 102.573 -14.516  10.456
  646    HG2  PRO  76           HG2      PRO  76 104.290 -15.616   8.758
  647    HG3  PRO  76           HG1      PRO  76 103.651 -16.535  10.134
  648    HD2  PRO  76           HD2      PRO  76 102.927 -16.708   7.242
  649    HD3  PRO  76           HD1      PRO  76 103.034 -18.007   8.458
  650    H    VAL  77           HN       VAL  77  98.903 -14.774  10.439
  651    HA   VAL  77           HA       VAL  77  97.700 -13.761   7.991
  652    HB   VAL  77           HB       VAL  77  96.767 -13.535  10.854
  653   HG11  VAL  77          HG11      VAL  77  95.636 -11.892   9.567
  654   HG12  VAL  77          HG12      VAL  77  94.525 -13.259   9.653
  655   HG13  VAL  77          HG13      VAL  77  95.467 -12.978   8.189
  656   HG21  VAL  77          HG21      VAL  77  95.224 -15.347   9.224
  657   HG22  VAL  77          HG22      VAL  77  96.145 -15.737  10.675
  658   HG23  VAL  77          HG23      VAL  77  96.920 -15.819   9.088
  659    H    THR  78           HN       THR  78  99.654 -12.525  10.526
  660    HA   THR  78           HA       THR  78  98.959  -9.890  10.778
  661    HB   THR  78           HB       THR  78 101.310  -9.417  11.214
  662    HG1  THR  78           HG1      THR  78 102.680 -10.394   9.983
  663   HG21  THR  78          HG21      THR  78 100.830 -10.503  13.134
  664   HG22  THR  78          HG22      THR  78 101.654 -11.895  12.436
  665   HG23  THR  78          HG23      THR  78  99.906 -11.744  12.291
  666    H    ALA  79           HN       ALA  79 100.366 -11.480   7.999
  667    HA   ALA  79           HA       ALA  79 101.267  -9.258   6.562
  668    HB1  ALA  79           HB1      ALA  79 100.350 -12.007   5.861
  669    HB2  ALA  79           HB2      ALA  79 101.909 -11.227   5.567
  670    HB3  ALA  79           HB3      ALA  79 100.518 -10.827   4.558
  671    H    PHE  80           HN       PHE  80  98.049 -10.579   6.998
  672    HA   PHE  80           HA       PHE  80  96.801  -9.031   4.939
  673    HB2  PHE  80           HB2      PHE  80  95.795 -10.684   7.239
  674    HB3  PHE  80           HB1      PHE  80  94.688  -9.691   6.302
  675    HD1  PHE  80           HD1      PHE  80  94.067 -10.277   4.059
  676    HD2  PHE  80           HD2      PHE  80  97.127 -12.480   6.117
  677    HE1  PHE  80           HE1      PHE  80  94.011 -12.009   2.285
  678    HE2  PHE  80           HE2      PHE  80  97.072 -14.213   4.343
  679    HZ   PHE  80           HZ       PHE  80  95.514 -13.977   2.427
  680    H    SER  81           HN       SER  81  97.399  -8.596   8.376
  681    HA   SER  81           HA       SER  81  95.683  -6.347   8.720
  682    HB2  SER  81           HB2      SER  81  96.978  -5.997  10.808
  683    HB3  SER  81           HB1      SER  81  96.413  -7.657  10.633
  684    HG   SER  81           HG       SER  81  99.000  -6.620  10.083
  685    H    TYR  82           HN       TYR  82  99.102  -6.729   7.907
  686    HA   TYR  82           HA       TYR  82  99.844  -4.017   8.065
  687    HB2  TYR  82           HB2      TYR  82 100.945  -6.468   6.875
  688    HB3  TYR  82           HB1      TYR  82 101.448  -4.983   6.079
  689    HD1  TYR  82           HD1      TYR  82 102.694  -3.258   7.299
  690    HD2  TYR  82           HD2      TYR  82 101.573  -6.955   9.177
  691    HE1  TYR  82           HE1      TYR  82 104.284  -2.802   9.149
  692    HE2  TYR  82           HE2      TYR  82 103.161  -6.498  11.027
  693    HH   TYR  82           HH       TYR  82 105.589  -4.606  10.938
  694    H    TRP  83           HN       TRP  83  98.657  -5.957   5.327
  695    HA   TRP  83           HA       TRP  83  98.826  -3.972   3.361
  696    HB2  TRP  83           HB2      TRP  83  98.399  -6.200   2.658
  697    HB3  TRP  83           HB1      TRP  83  96.973  -6.329   3.687
  698    HD1  TRP  83           HD1      TRP  83  98.146  -3.991   0.823
  699    HE1  TRP  83           HE1      TRP  83  96.120  -3.521  -0.700
  700    HE3  TRP  83           HE3      TRP  83  94.549  -6.642   3.296
  701    HZ2  TRP  83           HZ2      TRP  83  93.341  -4.181  -0.850
  702    HZ3  TRP  83           HZ3      TRP  83  92.224  -6.703   2.443
  703    HH2  TRP  83           HH2      TRP  83  91.615  -5.478   0.374
  704    H    ASN  84           HN       ASN  84  96.165  -4.756   5.576
  705    HA   ASN  84           HA       ASN  84  94.318  -2.899   4.539
  706    HB2  ASN  84           HB2      ASN  84  94.635  -4.214   7.239
  707    HB3  ASN  84           HB1      ASN  84  93.334  -3.072   6.914
  708   HD21  ASN  84          HD21      ASN  84  92.811  -5.836   7.500
  709   HD22  ASN  84          HD22      ASN  84  92.170  -6.557   6.102
  710    H    LEU  85           HN       LEU  85  96.696  -2.593   7.191
  711    HA   LEU  85           HA       LEU  85  95.943   0.028   7.890
  712    HB2  LEU  85           HB2      LEU  85  97.148  -1.397   9.444
  713    HB3  LEU  85           HB1      LEU  85  98.527  -1.469   8.348
  714    HG   LEU  85           HG       LEU  85  98.829   0.968   8.544
  715   HD11  LEU  85          HD11      LEU  85  97.435   1.941  10.593
  716   HD12  LEU  85          HD12      LEU  85  96.286   0.694  10.108
  717   HD13  LEU  85          HD13      LEU  85  96.765   1.943   8.960
  718   HD21  LEU  85          HD21      LEU  85  99.871  -0.648  10.190
  719   HD22  LEU  85          HD22      LEU  85  98.549  -0.293  11.296
  720   HD23  LEU  85          HD23      LEU  85  99.669   0.985  10.820
  721    H    ILE  86           HN       ILE  86  98.601  -1.264   5.920
  722    HA   ILE  86           HA       ILE  86  99.752   1.201   5.247
  723    HB   ILE  86           HB       ILE  86  99.991  -1.571   4.334
  724   HG12  ILE  86          HG12      ILE  86 102.127   0.562   4.327
  725   HG13  ILE  86          HG11      ILE  86 101.523  -0.076   5.865
  726   HG21  ILE  86          HG21      ILE  86 101.271  -0.808   2.278
  727   HG22  ILE  86          HG22      ILE  86 100.461   0.737   2.453
  728   HG23  ILE  86          HG23      ILE  86  99.516  -0.720   2.158
  729   HD11  ILE  86          HD11      ILE  86 102.584  -1.795   3.613
  730   HD12  ILE  86          HD12      ILE  86 102.101  -2.336   5.221
  731   HD13  ILE  86          HD13      ILE  86 103.518  -1.303   5.027
  732    H    LYS  87           HN       LYS  87  97.189  -0.699   3.765
  733    HA   LYS  87           HA       LYS  87  96.927   0.609   1.340
  734    HB2  LYS  87           HB2      LYS  87  95.517  -1.204   1.461
  735    HB3  LYS  87           HB1      LYS  87  95.065  -0.875   3.135
  736    HG2  LYS  87           HG2      LYS  87  93.562   0.874   2.493
  737    HG3  LYS  87           HG1      LYS  87  94.201   0.910   0.842
  738    HD2  LYS  87           HD2      LYS  87  93.306  -1.331   0.442
  739    HD3  LYS  87           HD1      LYS  87  92.725  -1.418   2.106
  740    HE2  LYS  87           HE2      LYS  87  91.287   0.567   1.681
  741    HE3  LYS  87           HE1      LYS  87  91.838   0.586   0.006
  742    HZ1  LYS  87           HZ1      LYS  87  90.467  -1.700   1.309
  743    HZ2  LYS  87           HZ2      LYS  87  90.916  -1.591  -0.326
  744    HZ3  LYS  87           HZ3      LYS  87  89.709  -0.570   0.297
  745    H    GLU  88           HN       GLU  88  95.456   1.471   4.497
  746    HA   GLU  88           HA       GLU  88  94.213   3.795   3.365
  747    HB2  GLU  88           HB2      GLU  88  93.117   3.943   5.381
  748    HB3  GLU  88           HB1      GLU  88  93.609   2.257   5.461
  749    HG2  GLU  88           HG2      GLU  88  94.309   3.042   7.532
  750    HG3  GLU  88           HG1      GLU  88  95.770   3.200   6.584
  751    H    LEU  89           HN       LEU  89  97.295   3.037   4.698
  752    HA   LEU  89           HA       LEU  89  97.952   5.468   5.882
  753    HB2  LEU  89           HB2      LEU  89  99.188   3.153   5.733
  754    HB3  LEU  89           HB1      LEU  89 100.027   3.911   4.394
  755    HG   LEU  89           HG       LEU  89 101.309   4.298   6.410
  756   HD11  LEU  89          HD11      LEU  89 100.849   6.190   4.708
  757   HD12  LEU  89          HD12      LEU  89 101.561   6.618   6.258
  758   HD13  LEU  89          HD13      LEU  89  99.842   6.873   5.983
  759   HD21  LEU  89          HD21      LEU  89 100.377   4.706   8.449
  760   HD22  LEU  89          HD22      LEU  89  98.854   4.234   7.697
  761   HD23  LEU  89          HD23      LEU  89  99.299   5.933   7.789
  762    H    ILE  90           HN       ILE  90  98.291   4.334   2.551
  763    HA   ILE  90           HA       ILE  90  99.706   6.551   1.569
  764    HB   ILE  90           HB       ILE  90  97.794   4.636   0.186
  765   HG12  ILE  90          HG12      ILE  90 100.805   4.861   0.433
  766   HG13  ILE  90          HG11      ILE  90  99.788   3.573   1.047
  767   HG21  ILE  90          HG21      ILE  90  99.693   6.678  -1.047
  768   HG22  ILE  90          HG22      ILE  90  97.937   6.789  -1.080
  769   HG23  ILE  90          HG23      ILE  90  98.742   5.499  -1.938
  770   HD11  ILE  90          HD11      ILE  90 100.705   2.709  -0.992
  771   HD12  ILE  90          HD12      ILE  90 100.408   4.221  -1.842
  772   HD13  ILE  90          HD13      ILE  90  99.056   3.188  -1.387
  773    H    ASP  91           HN       ASP  91  96.216   5.905   1.812
  774    HA   ASP  91           HA       ASP  91  95.336   8.237   0.477
  775    HB2  ASP  91           HB2      ASP  91  94.014   6.453   2.528
  776    HB3  ASP  91           HB1      ASP  91  93.183   7.793   1.739
  777    H    LYS  92           HN       LYS  92  96.905   7.868   3.427
  778    HA   LYS  92           HA       LYS  92  95.635   9.895   4.963
  779    HB2  LYS  92           HB2      LYS  92  97.341   8.033   5.674
  780    HB3  LYS  92           HB1      LYS  92  98.552   9.246   5.256
  781    HG2  LYS  92           HG2      LYS  92  97.543  10.838   6.811
  782    HG3  LYS  92           HG1      LYS  92  96.250   9.698   7.182
  783    HD2  LYS  92           HD2      LYS  92  97.931   8.090   8.042
  784    HD3  LYS  92           HD1      LYS  92  99.198   9.276   7.730
  785    HE2  LYS  92           HE2      LYS  92  98.118  10.860   9.270
  786    HE3  LYS  92           HE1      LYS  92  96.828   9.697   9.573
  787    HZ1  LYS  92           HZ1      LYS  92  99.387   8.519   9.943
  788    HZ2  LYS  92           HZ2      LYS  92  98.086   8.627  11.029
  789    HZ3  LYS  92           HZ3      LYS  92  99.213   9.893  10.921
  790    H    LYS  93           HN       LYS  93  95.885  12.051   4.979
  791    HA   LYS  93           HA       LYS  93  97.085  13.378   2.795
  792    HB2  LYS  93           HB2      LYS  93  95.185  14.189   4.344
  793    HB3  LYS  93           HB1      LYS  93  96.478  14.711   5.425
  794    HG2  LYS  93           HG2      LYS  93  97.430  16.127   3.694
  795    HG3  LYS  93           HG1      LYS  93  96.271  15.524   2.509
  796    HD2  LYS  93           HD2      LYS  93  94.418  16.434   3.897
  797    HD3  LYS  93           HD1      LYS  93  95.612  17.113   5.003
  798    HE2  LYS  93           HE2      LYS  93  95.536  17.742   2.041
  799    HE3  LYS  93           HE1      LYS  93  94.755  18.740   3.267
  800    HZ1  LYS  93           HZ1      LYS  93  97.573  18.416   2.659
  801    HZ2  LYS  93           HZ2      LYS  93  97.186  18.477   4.312
  802    HZ3  LYS  93           HZ3      LYS  93  96.743  19.756   3.287
  803    H    GLU  94           HN       GLU  94  98.249  12.487   5.954
  804    HA   GLU  94           HA       GLU  94 100.494  14.224   6.041
  805    HB2  GLU  94           HB2      GLU  94  99.909  11.607   7.429
  806    HB3  GLU  94           HB1      GLU  94 101.349  12.575   7.750
  807    HG2  GLU  94           HG2      GLU  94  99.919  14.498   8.353
  808    HG3  GLU  94           HG1      GLU  94  98.483  13.523   8.045
  809    H    VAL  95           HN       VAL  95 100.664  13.496   3.517
  810    HA   VAL  95           HA       VAL  95 102.719  11.382   3.374
  811    HB   VAL  95           HB       VAL  95 102.160  11.496   0.871
  812   HG11  VAL  95          HG11      VAL  95 100.467  10.410   3.080
  813   HG12  VAL  95          HG12      VAL  95 101.404   9.552   1.858
  814   HG13  VAL  95          HG13      VAL  95  99.859  10.285   1.428
  815   HG21  VAL  95          HG21      VAL  95 100.895  13.701   1.178
  816   HG22  VAL  95          HG22      VAL  95  99.617  12.752   1.930
  817   HG23  VAL  95          HG23      VAL  95 100.055  12.462   0.249
  818    H    ASN  96           HN       ASN  96 104.741  11.939   2.880
  819    HA   ASN  96           HA       ASN  96 105.476  14.666   2.658
  820    HB2  ASN  96           HB2      ASN  96 106.818  12.099   2.891
  821    HB3  ASN  96           HB1      ASN  96 107.668  13.174   1.787
  822   HD21  ASN  96          HD21      ASN  96 109.148  14.511   2.841
  823   HD22  ASN  96          HD22      ASN  96 109.005  15.046   4.446
  824    HA   PRO  97           HA       PRO  97 105.542  15.816  -1.591
  825    HB2  PRO  97           HB2      PRO  97 108.520  15.642  -1.535
  826    HB3  PRO  97           HB1      PRO  97 107.477  16.965  -2.087
  827    HG2  PRO  97           HG2      PRO  97 108.764  16.997   0.287
  828    HG3  PRO  97           HG1      PRO  97 107.225  17.821   0.000
  829    HD2  PRO  97           HD2      PRO  97 107.771  15.460   1.642
  830    HD3  PRO  97           HD1      PRO  97 106.345  16.514   1.623
  831    H    GLN  98           HN       GLN  98 107.390  13.058  -0.531
  832    HA   GLN  98           HA       GLN  98 108.268  11.852  -2.818
  833    HB2  GLN  98           HB2      GLN  98 108.272   9.858  -1.644
  834    HB3  GLN  98           HB1      GLN  98 108.129  11.009  -0.315
  835    HG2  GLN  98           HG2      GLN  98 105.574  10.767  -0.668
  836    HG3  GLN  98           HG1      GLN  98 105.984   9.302  -1.562
  837   HE21  GLN  98          HE21      GLN  98 105.851   7.496  -0.240
  838   HE22  GLN  98          HE22      GLN  98 106.261   7.459   1.407
  839    H    VAL  99           HN       VAL  99 105.045  12.694  -2.102
  840    HA   VAL  99           HA       VAL  99 103.619  10.732  -3.547
  841    HB   VAL  99           HB       VAL  99 102.975  13.653  -3.065
  842   HG11  VAL  99          HG11      VAL  99 101.384  11.347  -4.185
  843   HG12  VAL  99          HG12      VAL  99 101.564  12.975  -4.837
  844   HG13  VAL  99          HG13      VAL  99 100.590  12.707  -3.392
  845   HG21  VAL  99          HG21      VAL  99 101.478  11.612  -1.610
  846   HG22  VAL  99          HG22      VAL  99 102.321  13.033  -0.993
  847   HG23  VAL  99          HG23      VAL  99 103.207  11.534  -1.271
  848    H    MET 100           HN       MET 100 104.951  13.883  -4.541
  849    HA   MET 100           HA       MET 100 104.066  13.738  -7.236
  850    HB2  MET 100           HB2      MET 100 104.746  15.848  -6.149
  851    HB3  MET 100           HB1      MET 100 106.409  15.265  -6.088
  852    HG2  MET 100           HG2      MET 100 106.541  15.174  -8.500
  853    HG3  MET 100           HG1      MET 100 104.818  15.524  -8.654
  854    HE1  MET 100           HE1      MET 100 108.315  16.757  -8.437
  855    HE2  MET 100           HE2      MET 100 107.965  16.889  -6.716
  856    HE3  MET 100           HE3      MET 100 108.265  18.344  -7.661
  857    H    ALA 101           HN       ALA 101 106.967  12.651  -5.580
  858    HA   ALA 101           HA       ALA 101 108.248  11.847  -8.053
  859    HB1  ALA 101           HB1      ALA 101 109.852  10.741  -6.261
  860    HB2  ALA 101           HB2      ALA 101 108.979  11.790  -5.136
  861    HB3  ALA 101           HB3      ALA 101 109.870  12.494  -6.488
  862    H    ALA 102           HN       ALA 102 106.097  10.513  -5.794
  863    HA   ALA 102           HA       ALA 102 106.754   7.744  -6.112
  864    HB1  ALA 102           HB1      ALA 102 105.495   8.367  -4.172
  865    HB2  ALA 102           HB2      ALA 102 104.432   7.377  -5.185
  866    HB3  ALA 102           HB3      ALA 102 104.248   9.132  -5.162
  867    H    VAL 103           HN       VAL 103 104.228   9.812  -7.522
  868    HA   VAL 103           HA       VAL 103 103.139   7.878  -9.255
  869    HB   VAL 103           HB       VAL 103 103.220  10.894  -9.330
  870   HG11  VAL 103          HG11      VAL 103 103.009  10.405 -11.628
  871   HG12  VAL 103          HG12      VAL 103 101.328  10.480 -11.101
  872   HG13  VAL 103          HG13      VAL 103 102.112   8.917 -11.330
  873   HG21  VAL 103          HG21      VAL 103 101.732   9.105  -7.840
  874   HG22  VAL 103          HG22      VAL 103 100.668   9.402  -9.210
  875   HG23  VAL 103          HG23      VAL 103 101.226  10.749  -8.218
  876    H    ALA 104           HN       ALA 104 105.714  10.272  -9.715
  877    HA   ALA 104           HA       ALA 104 106.267  10.166 -12.362
  878    HB1  ALA 104           HB1      ALA 104 108.286   9.953 -10.114
  879    HB2  ALA 104           HB2      ALA 104 107.657  11.440 -10.832
  880    HB3  ALA 104           HB3      ALA 104 108.681  10.366 -11.785
  881    H    GLN 105           HN       GLN 105 107.229   7.690  -9.997
  882    HA   GLN 105           HA       GLN 105 107.958   5.910 -12.239
  883    HB2  GLN 105           HB2      GLN 105 108.671   5.749  -9.301
  884    HB3  GLN 105           HB1      GLN 105 109.178   4.604 -10.542
  885    HG2  GLN 105           HG2      GLN 105 109.784   7.569 -10.624
  886    HG3  GLN 105           HG1      GLN 105 110.908   6.345 -10.034
  887   HE21  GLN 105          HE21      GLN 105 110.184   8.110 -12.767
  888   HE22  GLN 105          HE22      GLN 105 110.791   7.049 -13.946
  889    H    THR 106           HN       THR 106 105.785   5.323 -12.719
  890    HA   THR 106           HA       THR 106 104.511   3.599 -10.676
  891    HB   THR 106           HB       THR 106 102.431   4.024 -12.161
  892    HG1  THR 106           HG1      THR 106 103.053   5.134 -13.850
  893   HG21  THR 106          HG21      THR 106 102.452   6.510 -11.041
  894   HG22  THR 106          HG22      THR 106 103.727   5.719 -10.116
  895   HG23  THR 106          HG23      THR 106 102.104   5.030 -10.148
  896    H    GLU 107           HN       GLU 107 106.084   3.672 -13.667
  897    HA   GLU 107           HA       GLU 107 104.746   1.446 -14.903
  898    HB2  GLU 107           HB2      GLU 107 107.458   2.700 -15.445
  899    HB3  GLU 107           HB1      GLU 107 106.678   1.488 -16.461
  900    HG2  GLU 107           HG2      GLU 107 104.803   2.954 -16.912
  901    HG3  GLU 107           HG1      GLU 107 105.411   4.154 -15.772
  902    H    GLU 108           HN       GLU 108 106.388  -0.412 -15.645
  903    HA   GLU 108           HA       GLU 108 107.558  -1.498 -13.153
  904    HB2  GLU 108           HB2      GLU 108 106.319  -2.884 -15.536
  905    HB3  GLU 108           HB1      GLU 108 107.206  -3.730 -14.268
  906    HG2  GLU 108           HG2      GLU 108 104.824  -1.933 -13.740
  907    HG3  GLU 108           HG1      GLU 108 104.704  -3.682 -13.923
  908    H    ILE 109           HN       ILE 109 109.693  -1.660 -13.105
  909    HA   ILE 109           HA       ILE 109 111.403  -0.892 -15.141
  910    HB   ILE 109           HB       ILE 109 113.177  -2.124 -13.849
  911   HG12  ILE 109          HG12      ILE 109 110.863  -2.960 -12.074
  912   HG13  ILE 109          HG11      ILE 109 111.647  -4.034 -13.224
  913   HG21  ILE 109          HG21      ILE 109 112.592  -0.929 -11.604
  914   HG22  ILE 109          HG22      ILE 109 111.166  -0.350 -12.458
  915   HG23  ILE 109          HG23      ILE 109 112.778   0.063 -13.048
  916   HD11  ILE 109          HD11      ILE 109 112.576  -4.301 -10.947
  917   HD12  ILE 109          HD12      ILE 109 113.059  -2.605 -10.967
  918   HD13  ILE 109          HD13      ILE 109 113.792  -3.743 -12.098
  919    H    LEU 110           HN       LEU 110 109.918  -3.996 -14.559
  920    HA   LEU 110           HA       LEU 110 111.562  -5.566 -16.240
  921    HB2  LEU 110           HB2      LEU 110 108.656  -5.996 -15.619
  922    HB3  LEU 110           HB1      LEU 110 109.811  -7.214 -16.145
  923    HG   LEU 110           HG       LEU 110 109.977  -5.634 -13.563
  924   HD11  LEU 110          HD11      LEU 110 108.780  -7.266 -12.591
  925   HD12  LEU 110          HD12      LEU 110 109.802  -8.511 -13.311
  926   HD13  LEU 110          HD13      LEU 110 108.417  -7.881 -14.203
  927   HD21  LEU 110          HD21      LEU 110 111.726  -7.585 -13.185
  928   HD22  LEU 110          HD22      LEU 110 112.205  -6.135 -14.065
  929   HD23  LEU 110          HD23      LEU 110 111.780  -7.601 -14.947
  930    H    LYS 111           HN       LYS 111 108.768  -3.532 -16.834
  931    HA   LYS 111           HA       LYS 111 107.738  -4.214 -19.191
  932    HB2  LYS 111           HB2      LYS 111 107.150  -2.123 -18.040
  933    HB3  LYS 111           HB1      LYS 111 108.693  -1.425 -18.522
  934    HG2  LYS 111           HG2      LYS 111 108.106  -1.598 -20.874
  935    HG3  LYS 111           HG1      LYS 111 106.616  -2.453 -20.472
  936    HD2  LYS 111           HD2      LYS 111 105.817  -0.462 -19.245
  937    HD3  LYS 111           HD1      LYS 111 107.302   0.391 -19.668
  938    HE2  LYS 111           HE2      LYS 111 106.766   0.181 -22.052
  939    HE3  LYS 111           HE1      LYS 111 105.301  -0.722 -21.658
  940    HZ1  LYS 111           HZ1      LYS 111 104.245   1.132 -20.965
  941    HZ2  LYS 111           HZ2      LYS 111 105.325   1.885 -22.038
  942    HZ3  LYS 111           HZ3      LYS 111 105.653   1.866 -20.371
  943    H    SER 112           HN       SER 112 109.087  -5.406 -20.514
  944    HA   SER 112           HA       SER 112 111.595  -4.411 -21.421
  945    HB2  SER 112           HB2      SER 112 111.527  -6.345 -22.981
  946    HB3  SER 112           HB1      SER 112 111.209  -6.812 -21.313
  947    HG   SER 112           HG       SER 112 109.492  -7.670 -22.204
  948    H    ASN 113           HN       ASN 113 108.438  -3.702 -22.217
  949    HA   ASN 113           HA       ASN 113 108.559  -3.316 -25.010
  950    HB2  ASN 113           HB2      ASN 113 106.893  -1.941 -22.892
  951    HB3  ASN 113           HB1      ASN 113 106.680  -1.684 -24.618
  952   HD21  ASN 113          HD21      ASN 113 104.951  -3.106 -22.471
  953   HD22  ASN 113          HD22      ASN 113 104.602  -4.607 -23.179
  954    H    SER 114           HN       SER 114 109.354  -1.183 -22.303
  955    HA   SER 114           HA       SER 114 111.343   0.227 -23.664
  956    HB2  SER 114           HB2      SER 114 109.766   1.246 -25.095
  957    HB3  SER 114           HB1      SER 114 108.607   1.470 -23.789
  958    HG   SER 114           HG       SER 114 110.497   2.781 -22.879
  959    H    GLN 115           HN       GLN 115 112.334  -0.058 -21.643
  960    HA   GLN 115           HA       GLN 115 112.060   2.099 -19.842
  961    HB2  GLN 115           HB2      GLN 115 110.080   0.379 -19.379
  962    HB3  GLN 115           HB1      GLN 115 111.323  -0.390 -18.400
  963    HG2  GLN 115           HG2      GLN 115 111.734   1.765 -17.238
  964    HG3  GLN 115           HG1      GLN 115 110.469   2.519 -18.202
  965   HE21  GLN 115          HE21      GLN 115 110.594   2.042 -15.208
  966   HE22  GLN 115          HE22      GLN 115 109.180   1.174 -14.853
  967    H    THR 116           HN       THR 116 112.856   0.471 -17.513
  968    HA   THR 116           HA       THR 116 115.649   0.553 -17.848
  969    HB   THR 116           HB       THR 116 114.207  -1.164 -15.811
  970    HG1  THR 116           HG1      THR 116 114.913   1.539 -15.449
  971   HG21  THR 116          HG21      THR 116 116.845   0.325 -15.844
  972   HG22  THR 116          HG22      THR 116 116.620  -1.424 -15.853
  973   HG23  THR 116          HG23      THR 116 116.169  -0.484 -14.431
  974    H    ASP 117           HN       ASP 117 113.383  -2.179 -17.975
  975    HA   ASP 117           HA       ASP 117 115.271  -4.232 -18.279
  976    HB2  ASP 117           HB2      ASP 117 112.906  -4.672 -17.815
  977    HB3  ASP 117           HB1      ASP 117 112.471  -4.038 -19.390
  978    H    LEU 118           HN       LEU 118 113.600  -2.254 -20.720
  979    HA   LEU 118           HA       LEU 118 115.811  -2.394 -22.510
  980    HB2  LEU 118           HB2      LEU 118 114.879  -4.665 -22.864
  981    HB3  LEU 118           HB1      LEU 118 113.333  -3.945 -23.304
  982    HG   LEU 118           HG       LEU 118 114.456  -2.722 -25.167
  983   HD11  LEU 118          HD11      LEU 118 116.689  -2.439 -24.695
  984   HD12  LEU 118          HD12      LEU 118 116.807  -3.899 -25.675
  985   HD13  LEU 118          HD13      LEU 118 116.838  -4.014 -23.917
  986   HD21  LEU 118          HD21      LEU 118 114.105  -5.599 -24.932
  987   HD22  LEU 118          HD22      LEU 118 115.329  -5.187 -26.132
  988   HD23  LEU 118          HD23      LEU 118 113.700  -4.526 -26.273
  989    H    GLU 119           HN       GLU 119 115.510  -0.128 -22.459
  990    HA   GLU 119           HA       GLU 119 113.221   1.338 -22.795
  991    HB2  GLU 119           HB2      GLU 119 115.950   1.877 -24.022
  992    HB3  GLU 119           HB1      GLU 119 114.666   3.073 -23.846
  993    HG2  GLU 119           HG2      GLU 119 115.841   1.525 -21.527
  994    HG3  GLU 119           HG1      GLU 119 116.390   3.127 -22.005
  995    H    HIS 120           HN       HIS 120 114.819  -0.669 -25.134
  996    HA   HIS 120           HA       HIS 120 114.330  -1.210 -27.313
  997    HB2  HIS 120           HB2      HIS 120 112.120  -1.697 -26.214
  998    HB3  HIS 120           HB1      HIS 120 111.595  -0.080 -26.687
  999    HD1  HIS 120           HD1      HIS 120 111.144   0.353 -29.194
 1000    HD2  HIS 120           HD2      HIS 120 112.422  -3.533 -28.390
 1001    HE1  HIS 120           HE1      HIS 120 110.756  -0.981 -31.312
 1002    HE2  HIS 120           HE2      HIS 120 111.531  -3.353 -30.838
 1003    H    HIS 121           HN       HIS 121 114.645   1.842 -26.281
 1004    HA   HIS 121           HA       HIS 121 114.116   3.030 -28.937
 1005    HB2  HIS 121           HB2      HIS 121 114.234   4.327 -26.208
 1006    HB3  HIS 121           HB1      HIS 121 114.096   5.213 -27.726
 1007    HD1  HIS 121           HD1      HIS 121 112.010   3.981 -29.304
 1008    HD2  HIS 121           HD2      HIS 121 111.718   3.985 -25.146
 1009    HE1  HIS 121           HE1      HIS 121 109.563   3.624 -28.757
 1010    HE2  HIS 121           HE2      HIS 121 109.369   3.624 -26.225
 1011    H    HIS 122           HN       HIS 122 115.828   3.586 -30.105
 1012    HA   HIS 122           HA       HIS 122 118.431   3.906 -28.730
 1013    HB2  HIS 122           HB2      HIS 122 117.802   2.841 -31.487
 1014    HB3  HIS 122           HB1      HIS 122 119.430   3.216 -30.924
 1015    HD1  HIS 122           HD1      HIS 122 116.562   0.844 -30.322
 1016    HD2  HIS 122           HD2      HIS 122 120.510   1.360 -29.082
 1017    HE1  HIS 122           HE1      HIS 122 117.199  -1.260 -29.061
 1018    HE2  HIS 122           HE2      HIS 122 119.603  -0.960 -28.299
 1019    H    HIS 123           HN       HIS 123 119.480   5.783 -28.971
 1020    HA   HIS 123           HA       HIS 123 118.220   8.022 -30.164
 1021    HB2  HIS 123           HB2      HIS 123 121.019   7.544 -29.144
 1022    HB3  HIS 123           HB1      HIS 123 120.504   9.097 -29.801
 1023    HD1  HIS 123           HD1      HIS 123 119.345   6.611 -27.146
 1024    HD2  HIS 123           HD2      HIS 123 119.282  10.707 -27.918
 1025    HE1  HIS 123           HE1      HIS 123 118.308   7.707 -25.111
 1026    HE2  HIS 123           HE2      HIS 123 118.261  10.205 -25.567
 1027    H    HIS 124           HN       HIS 124 120.893   5.939 -31.212
 1028    HA   HIS 124           HA       HIS 124 121.479   7.385 -33.589
 1029    HB2  HIS 124           HB2      HIS 124 122.065   4.566 -32.695
 1030    HB3  HIS 124           HB1      HIS 124 122.577   5.181 -34.265
 1031    HD1  HIS 124           HD1      HIS 124 123.053   5.802 -30.561
 1032    HD2  HIS 124           HD2      HIS 124 124.785   6.913 -34.187
 1033    HE1  HIS 124           HE1      HIS 124 125.192   7.031 -29.986
 1034    HE2  HIS 124           HE2      HIS 124 126.260   7.714 -32.185
 1035    H    HIS 125           HN       HIS 125 119.317   4.701 -32.838
 1036    HA   HIS 125           HA       HIS 125 117.604   3.738 -34.023
 1037    HB2  HIS 125           HB2      HIS 125 116.962   6.179 -34.238
 1038    HB3  HIS 125           HB1      HIS 125 117.746   6.166 -35.817
 1039    HD1  HIS 125           HD1      HIS 125 116.661   4.705 -37.689
 1040    HD2  HIS 125           HD2      HIS 125 114.496   4.786 -34.128
 1041    HE1  HIS 125           HE1      HIS 125 114.380   3.738 -38.216
 1042    HE2  HIS 125           HE2      HIS 125 113.048   3.780 -36.054
  Start of MODEL    4
    1    H21  MYR   1          1H2       MYR   1 115.676   8.247  -1.498
    2    H22  MYR   1          2H2       MYR   1 116.176   8.516   0.028
    3    H31  MYR   1          1H3       MYR   1 114.033   7.584   0.153
    4    H32  MYR   1          2H3       MYR   1 113.910   9.140   0.615
    5    H41  MYR   1          1H4       MYR   1 113.343   9.551  -1.801
    6    H42  MYR   1          2H4       MYR   1 112.985   7.963  -1.823
    7    H51  MYR   1          1H5       MYR   1 111.564  10.054  -0.555
    8    H52  MYR   1          2H5       MYR   1 110.973   8.710  -1.257
    9    H61  MYR   1          1H6       MYR   1 112.126   7.609   0.761
   10    H62  MYR   1          2H6       MYR   1 111.817   9.063   1.427
   11    H71  MYR   1          1H7       MYR   1 109.472   8.688   0.789
   12    H72  MYR   1          2H7       MYR   1 109.895   7.138   0.523
   13    H81  MYR   1          1H8       MYR   1 110.519   8.118   3.088
   14    H82  MYR   1          2H8       MYR   1 108.928   7.954   2.779
   15    H91  MYR   1          1H9       MYR   1 110.087   5.614   2.048
   16    H92  MYR   1          2H9       MYR   1 110.694   5.986   3.513
   17   H101  MYR   1          1H10      MYR   1 108.316   6.298   4.199
   18   H102  MYR   1          2H10      MYR   1 107.949   5.461   2.852
   19   H111  MYR   1          1H11      MYR   1 109.548   3.742   3.828
   20   H112  MYR   1          2H11      MYR   1 109.200   4.483   5.234
   21   H121  MYR   1          1H12      MYR   1 107.444   3.184   5.360
   22   H122  MYR   1          2H12      MYR   1 106.793   4.077   4.163
   23   H131  MYR   1          1H13      MYR   1 107.287   2.551   2.578
   24   H132  MYR   1          2H13      MYR   1 108.512   1.908   3.435
   25   H141  MYR   1          1H14      MYR   1 105.788   1.217   3.510
   26   H142  MYR   1          2H14      MYR   1 107.086   0.284   3.844
   27   H143  MYR   1          3H14      MYR   1 106.499   1.302   4.979
   28    H    GLY   2           HN       GLY   2 117.595   9.600  -1.385
   29    HA2  GLY   2           HA2      GLY   2 118.701  11.477  -0.612
   30    HA3  GLY   2           HA1      GLY   2 117.160  12.328  -0.611
   31    H    GLN   3           HN       GLN   3 118.391  13.117   1.435
   32    HA   GLN   3           HA       GLN   3 118.753  11.647   3.731
   33    HB2  GLN   3           HB2      GLN   3 119.190  14.123   3.392
   34    HB3  GLN   3           HB1      GLN   3 117.476  14.384   3.716
   35    HG2  GLN   3           HG2      GLN   3 117.694  13.328   5.910
   36    HG3  GLN   3           HG1      GLN   3 119.388  12.961   5.588
   37   HE21  GLN   3          HE21      GLN   3 120.502  14.344   7.008
   38   HE22  GLN   3          HE22      GLN   3 120.264  16.023   7.081
   39    H    GLU   4           HN       GLU   4 115.784  12.431   2.143
   40    HA   GLU   4           HA       GLU   4 113.863  12.379   4.082
   41    HB2  GLU   4           HB2      GLU   4 113.484  12.516   1.597
   42    HB3  GLU   4           HB1      GLU   4 113.680  10.764   1.532
   43    HG2  GLU   4           HG2      GLU   4 111.809  10.469   3.085
   44    HG3  GLU   4           HG1      GLU   4 111.634  12.217   3.235
   45    H    LEU   5           HN       LEU   5 116.074   9.871   3.306
   46    HA   LEU   5           HA       LEU   5 114.847   7.518   3.943
   47    HB2  LEU   5           HB2      LEU   5 117.244   7.730   3.364
   48    HB3  LEU   5           HB1      LEU   5 117.558   8.396   4.967
   49    HG   LEU   5           HG       LEU   5 116.675   6.315   5.988
   50   HD11  LEU   5          HD11      LEU   5 116.123   5.730   3.113
   51   HD12  LEU   5          HD12      LEU   5 115.185   5.305   4.546
   52   HD13  LEU   5          HD13      LEU   5 116.630   4.382   4.131
   53   HD21  LEU   5          HD21      LEU   5 119.068   6.551   4.334
   54   HD22  LEU   5          HD22      LEU   5 118.550   4.873   4.500
   55   HD23  LEU   5          HD23      LEU   5 118.885   5.839   5.937
   56    H    SER   6           HN       SER   6 115.709  10.124   6.131
   57    HA   SER   6           HA       SER   6 115.479   8.894   8.602
   58    HB2  SER   6           HB2      SER   6 114.875  11.083   9.482
   59    HB3  SER   6           HB1      SER   6 116.122  11.266   8.251
   60    HG   SER   6           HG       SER   6 113.978  12.576   8.264
   61    H    GLN   7           HN       GLN   7 112.956   9.872   6.358
   62    HA   GLN   7           HA       GLN   7 110.707   9.726   7.987
   63    HB2  GLN   7           HB2      GLN   7 111.036   8.910   5.090
   64    HB3  GLN   7           HB1      GLN   7 109.480   9.101   5.901
   65    HG2  GLN   7           HG2      GLN   7 111.580  11.277   5.671
   66    HG3  GLN   7           HG1      GLN   7 110.160  11.141   4.635
   67   HE21  GLN   7          HE21      GLN   7 111.204  12.873   7.212
   68   HE22  GLN   7          HE22      GLN   7 109.738  13.108   8.032
   69    H    HIS   8           HN       HIS   8 112.338   7.111   6.207
   70    HA   HIS   8           HA       HIS   8 110.636   5.007   6.862
   71    HB2  HIS   8           HB2      HIS   8 112.492   4.805   5.256
   72    HB3  HIS   8           HB1      HIS   8 113.651   4.930   6.581
   73    HD1  HIS   8           HD1      HIS   8 110.674   2.736   5.620
   74    HD2  HIS   8           HD2      HIS   8 114.302   2.473   7.657
   75    HE1  HIS   8           HE1      HIS   8 110.946   0.308   6.289
   76    HE2  HIS   8           HE2      HIS   8 113.154   0.132   7.532
   77    H    GLU   9           HN       GLU   9 113.513   6.160   8.626
   78    HA   GLU   9           HA       GLU   9 113.559   4.409  10.744
   79    HB2  GLU   9           HB2      GLU   9 115.196   6.233  10.399
   80    HB3  GLU   9           HB1      GLU   9 113.980   7.402  10.916
   81    HG2  GLU   9           HG2      GLU   9 113.821   6.284  13.104
   82    HG3  GLU   9           HG1      GLU   9 115.023   5.101  12.592
   83    H    ARG  10           HN       ARG  10 111.358   7.099  10.192
   84    HA   ARG  10           HA       ARG  10 110.100   6.845  12.789
   85    HB2  ARG  10           HB2      ARG  10 109.072   8.348  10.376
   86    HB3  ARG  10           HB1      ARG  10 108.658   8.616  12.070
   87    HG2  ARG  10           HG2      ARG  10 111.166   9.070  12.433
   88    HG3  ARG  10           HG1      ARG  10 111.274   9.189  10.676
   89    HD2  ARG  10           HD2      ARG  10 109.423  10.828  12.428
   90    HD3  ARG  10           HD1      ARG  10 110.923  11.408  11.714
   91    HE   ARG  10           HE       ARG  10 109.535  10.522   9.555
   92   HH11  ARG  10          HH11      ARG  10 108.053  11.790   8.389
   93   HH12  ARG  10          HH12      ARG  10 107.237  13.101   9.175
   94   HH21  ARG  10          HH21      ARG  10 108.778  12.575  12.236
   95   HH22  ARG  10          HH22      ARG  10 107.648  13.544  11.353
   96    H    TYR  11           HN       TYR  11 109.255   6.085   9.419
   97    HA   TYR  11           HA       TYR  11 106.693   5.087   9.785
   98    HB2  TYR  11           HB2      TYR  11 107.725   5.381   7.574
   99    HB3  TYR  11           HB1      TYR  11 108.826   4.044   7.906
  100    HD1  TYR  11           HD1      TYR  11 105.249   4.950   7.458
  101    HD2  TYR  11           HD2      TYR  11 108.125   1.769   7.696
  102    HE1  TYR  11           HE1      TYR  11 103.531   3.339   6.679
  103    HE2  TYR  11           HE2      TYR  11 106.408   0.158   6.917
  104    HH   TYR  11           HH       TYR  11 104.314   0.164   5.673
  105    H    VAL  12           HN       VAL  12 109.805   3.418  10.161
  106    HA   VAL  12           HA       VAL  12 108.798   0.842  10.657
  107    HB   VAL  12           HB       VAL  12 111.348   2.253  11.403
  108   HG11  VAL  12          HG11      VAL  12 112.018  -0.218  12.043
  109   HG12  VAL  12          HG12      VAL  12 110.294  -0.386  12.374
  110   HG13  VAL  12          HG13      VAL  12 111.245   0.821  13.240
  111   HG21  VAL  12          HG21      VAL  12 112.259   1.031   9.655
  112   HG22  VAL  12          HG22      VAL  12 110.604   1.205   9.070
  113   HG23  VAL  12          HG23      VAL  12 111.113  -0.295   9.847
  114    H    GLU  13           HN       GLU  13 109.855   3.329  12.995
  115    HA   GLU  13           HA       GLU  13 108.969   1.918  15.288
  116    HB2  GLU  13           HB2      GLU  13 109.528   4.851  14.811
  117    HB3  GLU  13           HB1      GLU  13 109.130   4.182  16.394
  118    HG2  GLU  13           HG2      GLU  13 111.058   2.661  16.250
  119    HG3  GLU  13           HG1      GLU  13 111.453   3.299  14.655
  120    H    GLN  14           HN       GLN  14 107.423   4.252  13.146
  121    HA   GLN  14           HA       GLN  14 105.099   4.626  14.780
  122    HB2  GLN  14           HB2      GLN  14 105.873   6.259  13.056
  123    HB3  GLN  14           HB1      GLN  14 105.408   5.104  11.807
  124    HG2  GLN  14           HG2      GLN  14 103.592   6.697  12.134
  125    HG3  GLN  14           HG1      GLN  14 103.085   5.112  12.717
  126   HE21  GLN  14          HE21      GLN  14 101.641   5.801  14.378
  127   HE22  GLN  14          HE22      GLN  14 102.142   6.708  15.722
  128    H    LEU  15           HN       LEU  15 105.196   3.262  11.492
  129    HA   LEU  15           HA       LEU  15 102.855   1.975  11.328
  130    HB2  LEU  15           HB2      LEU  15 105.051   1.859   9.823
  131    HB3  LEU  15           HB1      LEU  15 105.205   0.287  10.610
  132    HG   LEU  15           HG       LEU  15 103.928   0.030   8.546
  133   HD11  LEU  15          HD11      LEU  15 102.109  -1.182   9.437
  134   HD12  LEU  15          HD12      LEU  15 101.898  -0.053  10.776
  135   HD13  LEU  15          HD13      LEU  15 103.275  -1.155  10.760
  136   HD21  LEU  15          HD21      LEU  15 101.594   1.573   9.450
  137   HD22  LEU  15          HD22      LEU  15 102.349   1.511   7.858
  138   HD23  LEU  15          HD23      LEU  15 103.004   2.574   9.104
  139    H    LYS  16           HN       LYS  16 105.690   0.658  13.029
  140    HA   LYS  16           HA       LYS  16 104.476  -1.745  13.881
  141    HB2  LYS  16           HB2      LYS  16 106.792  -0.126  14.933
  142    HB3  LYS  16           HB1      LYS  16 106.281  -1.631  15.698
  143    HG2  LYS  16           HG2      LYS  16 106.544  -2.805  13.528
  144    HG3  LYS  16           HG1      LYS  16 107.113  -1.303  12.800
  145    HD2  LYS  16           HD2      LYS  16 109.063  -1.257  14.181
  146    HD3  LYS  16           HD1      LYS  16 108.433  -2.530  15.228
  147    HE2  LYS  16           HE2      LYS  16 109.996  -3.628  13.816
  148    HE3  LYS  16           HE1      LYS  16 108.418  -4.018  13.131
  149    HZ1  LYS  16           HZ1      LYS  16 109.516  -3.322  11.277
  150    HZ2  LYS  16           HZ2      LYS  16 110.494  -2.216  12.119
  151    HZ3  LYS  16           HZ3      LYS  16 108.871  -1.839  11.787
  152    H    GLN  17           HN       GLN  17 104.726   1.452  15.401
  153    HA   GLN  17           HA       GLN  17 103.412   0.763  17.819
  154    HB2  GLN  17           HB2      GLN  17 103.984   3.330  16.376
  155    HB3  GLN  17           HB1      GLN  17 102.899   3.332  17.767
  156    HG2  GLN  17           HG2      GLN  17 104.626   2.305  19.158
  157    HG3  GLN  17           HG1      GLN  17 105.708   2.191  17.771
  158   HE21  GLN  17          HE21      GLN  17 106.957   3.584  19.601
  159   HE22  GLN  17          HE22      GLN  17 106.811   5.264  19.410
  160    H    ALA  18           HN       ALA  18 102.180   2.542  14.973
  161    HA   ALA  18           HA       ALA  18  99.496   2.625  15.671
  162    HB1  ALA  18           HB1      ALA  18  99.027   2.965  13.334
  163    HB2  ALA  18           HB2      ALA  18 100.547   2.202  12.867
  164    HB3  ALA  18           HB3      ALA  18 100.559   3.759  13.697
  165    H    LEU  19           HN       LEU  19 101.413  -0.089  14.907
  166    HA   LEU  19           HA       LEU  19  99.181  -1.761  14.068
  167    HB2  LEU  19           HB2      LEU  19 102.116  -1.991  14.163
  168    HB3  LEU  19           HB1      LEU  19 101.252  -3.480  14.543
  169    HG   LEU  19           HG       LEU  19 100.625  -1.779  12.120
  170   HD11  LEU  19          HD11      LEU  19 103.000  -2.846  12.273
  171   HD12  LEU  19          HD12      LEU  19 102.047  -3.117  10.814
  172   HD13  LEU  19          HD13      LEU  19 102.150  -4.375  12.046
  173   HD21  LEU  19          HD21      LEU  19 100.048  -4.612  11.962
  174   HD22  LEU  19          HD22      LEU  19  98.942  -3.247  11.801
  175   HD23  LEU  19          HD23      LEU  19  99.292  -3.917  13.396
  176    H    LYS  20           HN       LYS  20 101.435  -1.585  16.823
  177    HA   LYS  20           HA       LYS  20 100.561  -3.637  18.399
  178    HB2  LYS  20           HB2      LYS  20 102.380  -2.009  18.970
  179    HB3  LYS  20           HB1      LYS  20 101.131  -0.853  19.438
  180    HG2  LYS  20           HG2      LYS  20 100.278  -2.409  21.124
  181    HG3  LYS  20           HG1      LYS  20 101.457  -3.624  20.627
  182    HD2  LYS  20           HD2      LYS  20 103.294  -2.086  21.254
  183    HD3  LYS  20           HD1      LYS  20 102.104  -0.895  21.783
  184    HE2  LYS  20           HE2      LYS  20 102.481  -3.678  22.928
  185    HE3  LYS  20           HE1      LYS  20 102.909  -2.159  23.715
  186    HZ1  LYS  20           HZ1      LYS  20 100.515  -1.532  23.488
  187    HZ2  LYS  20           HZ2      LYS  20 100.818  -2.816  24.560
  188    HZ3  LYS  20           HZ3      LYS  20 100.199  -3.128  23.009
  189    H    THR  21           HN       THR  21  98.945  -0.571  17.800
  190    HA   THR  21           HA       THR  21  96.978  -0.759  19.822
  191    HB   THR  21           HB       THR  21  97.571   1.276  18.396
  192    HG1  THR  21           HG1      THR  21  95.837   1.521  19.662
  193   HG21  THR  21          HG21      THR  21  97.051  -0.314  16.288
  194   HG22  THR  21          HG22      THR  21  96.863   1.438  16.221
  195   HG23  THR  21          HG23      THR  21  95.456   0.410  16.493
  196    H    ARG  22           HN       ARG  22  97.272  -2.201  16.656
  197    HA   ARG  22           HA       ARG  22  94.514  -3.017  16.474
  198    HB2  ARG  22           HB2      ARG  22  96.998  -3.436  14.880
  199    HB3  ARG  22           HB1      ARG  22  95.691  -4.606  14.684
  200    HG2  ARG  22           HG2      ARG  22  95.022  -1.685  14.636
  201    HG3  ARG  22           HG1      ARG  22  95.753  -2.411  13.204
  202    HD2  ARG  22           HD2      ARG  22  93.977  -4.181  13.270
  203    HD3  ARG  22           HD1      ARG  22  93.207  -3.299  14.586
  204    HE   ARG  22           HE       ARG  22  93.303  -2.498  11.775
  205   HH11  ARG  22          HH11      ARG  22  91.923  -0.770  11.258
  206   HH12  ARG  22          HH12      ARG  22  91.164   0.134  12.527
  207   HH21  ARG  22          HH21      ARG  22  92.601  -1.728  15.075
  208   HH22  ARG  22          HH22      ARG  22  91.547  -0.408  14.687
  209    H    GLY  23           HN       GLY  23  97.121  -4.059  18.300
  210    HA2  GLY  23           HA2      GLY  23  96.756  -5.780  19.960
  211    HA3  GLY  23           HA1      GLY  23  95.810  -6.665  18.766
  212    H    VAL  24           HN       VAL  24  98.754  -5.131  17.775
  213    HA   VAL  24           HA       VAL  24  99.965  -7.789  17.385
  214    HB   VAL  24           HB       VAL  24 100.881  -5.183  16.166
  215   HG11  VAL  24          HG11      VAL  24 102.522  -6.889  15.930
  216   HG12  VAL  24          HG12      VAL  24 101.650  -6.882  14.397
  217   HG13  VAL  24          HG13      VAL  24 101.305  -8.122  15.602
  218   HG21  VAL  24          HG21      VAL  24  98.722  -7.111  15.293
  219   HG22  VAL  24          HG22      VAL  24  99.568  -6.080  14.138
  220   HG23  VAL  24          HG23      VAL  24  98.622  -5.357  15.440
  221    H    LYS  25           HN       LYS  25 102.422  -7.780  17.515
  222    HA   LYS  25           HA       LYS  25 103.263  -6.256  19.908
  223    HB2  LYS  25           HB2      LYS  25 104.115  -8.990  18.930
  224    HB3  LYS  25           HB1      LYS  25 104.884  -8.133  20.265
  225    HG2  LYS  25           HG2      LYS  25 102.707  -8.032  21.443
  226    HG3  LYS  25           HG1      LYS  25 101.964  -8.934  20.122
  227    HD2  LYS  25           HD2      LYS  25 103.454 -10.834  20.544
  228    HD3  LYS  25           HD1      LYS  25 104.265  -9.932  21.826
  229    HE2  LYS  25           HE2      LYS  25 102.695 -11.308  22.959
  230    HE3  LYS  25           HE1      LYS  25 101.940  -9.714  22.908
  231    HZ1  LYS  25           HZ1      LYS  25 100.346 -11.347  22.248
  232    HZ2  LYS  25           HZ2      LYS  25 101.404 -11.997  21.088
  233    HZ3  LYS  25           HZ3      LYS  25 100.764 -10.437  20.879
  234    H    VAL  26           HN       VAL  26 105.255  -5.251  19.908
  235    HA   VAL  26           HA       VAL  26 106.629  -5.140  17.289
  236    HB   VAL  26           HB       VAL  26 107.207  -2.827  17.790
  237   HG11  VAL  26          HG11      VAL  26 104.969  -1.852  17.665
  238   HG12  VAL  26          HG12      VAL  26 104.260  -3.334  18.307
  239   HG13  VAL  26          HG13      VAL  26 105.013  -3.336  16.711
  240   HG21  VAL  26          HG21      VAL  26 107.392  -2.355  20.004
  241   HG22  VAL  26          HG22      VAL  26 106.276  -3.643  20.460
  242   HG23  VAL  26          HG23      VAL  26 105.651  -2.077  19.945
  243    H    LYS  27           HN       LYS  27 108.086  -6.804  17.847
  244    HA   LYS  27           HA       LYS  27 109.959  -6.159  20.041
  245    HB2  LYS  27           HB2      LYS  27 108.651  -8.435  19.857
  246    HB3  LYS  27           HB1      LYS  27 109.902  -8.824  18.676
  247    HG2  LYS  27           HG2      LYS  27 111.491  -7.854  20.592
  248    HG3  LYS  27           HG1      LYS  27 110.149  -8.363  21.618
  249    HD2  LYS  27           HD2      LYS  27 111.580 -10.126  19.605
  250    HD3  LYS  27           HD1      LYS  27 111.818 -10.173  21.352
  251    HE2  LYS  27           HE2      LYS  27 109.292 -10.578  21.531
  252    HE3  LYS  27           HE1      LYS  27 109.328 -10.887  19.794
  253    HZ1  LYS  27           HZ1      LYS  27 110.680 -12.729  20.067
  254    HZ2  LYS  27           HZ2      LYS  27 109.620 -12.850  21.390
  255    HZ3  LYS  27           HZ3      LYS  27 111.198 -12.264  21.613
  256    H    TYR  28           HN       TYR  28 112.248  -6.792  19.620
  257    HA   TYR  28           HA       TYR  28 113.303  -5.470  17.394
  258    HB2  TYR  28           HB2      TYR  28 114.567  -7.638  19.089
  259    HB3  TYR  28           HB1      TYR  28 115.438  -6.568  17.992
  260    HD1  TYR  28           HD1      TYR  28 115.795  -4.228  18.521
  261    HD2  TYR  28           HD2      TYR  28 113.503  -6.753  21.132
  262    HE1  TYR  28           HE1      TYR  28 115.902  -2.495  20.292
  263    HE2  TYR  28           HE2      TYR  28 113.610  -5.021  22.903
  264    HH   TYR  28           HH       TYR  28 115.613  -2.156  22.551
  265    H    ALA  29           HN       ALA  29 112.645  -8.914  17.915
  266    HA   ALA  29           HA       ALA  29 113.801  -9.977  15.620
  267    HB1  ALA  29           HB1      ALA  29 112.601 -11.894  16.073
  268    HB2  ALA  29           HB2      ALA  29 111.136 -11.006  16.495
  269    HB3  ALA  29           HB3      ALA  29 112.480 -11.084  17.635
  270    H    ASP  30           HN       ASP  30 111.066  -7.914  15.937
  271    HA   ASP  30           HA       ASP  30 109.750  -8.631  13.495
  272    HB2  ASP  30           HB2      ASP  30 109.601  -6.110  15.163
  273    HB3  ASP  30           HB1      ASP  30 108.522  -6.503  13.826
  274    H    LEU  31           HN       LEU  31 112.096  -6.146  14.434
  275    HA   LEU  31           HA       LEU  31 112.140  -4.759  11.969
  276    HB2  LEU  31           HB2      LEU  31 114.070  -5.008  14.263
  277    HB3  LEU  31           HB1      LEU  31 114.508  -4.114  12.807
  278    HG   LEU  31           HG       LEU  31 112.072  -3.057  13.220
  279   HD11  LEU  31          HD11      LEU  31 111.777  -4.495  15.269
  280   HD12  LEU  31          HD12      LEU  31 111.632  -2.766  15.584
  281   HD13  LEU  31          HD13      LEU  31 113.115  -3.618  16.011
  282   HD21  LEU  31          HD21      LEU  31 114.606  -2.231  14.676
  283   HD22  LEU  31          HD22      LEU  31 113.229  -1.180  14.342
  284   HD23  LEU  31          HD23      LEU  31 114.197  -1.814  13.011
  285    H    LEU  32           HN       LEU  32 114.017  -7.500  13.199
  286    HA   LEU  32           HA       LEU  32 115.938  -7.668  11.182
  287    HB2  LEU  32           HB2      LEU  32 114.653 -10.034  12.558
  288    HB3  LEU  32           HB1      LEU  32 116.281  -9.936  11.884
  289    HG   LEU  32           HG       LEU  32 115.239  -8.291  14.209
  290   HD11  LEU  32          HD11      LEU  32 117.410 -10.386  14.274
  291   HD12  LEU  32          HD12      LEU  32 115.717 -10.813  14.527
  292   HD13  LEU  32          HD13      LEU  32 116.517  -9.689  15.626
  293   HD21  LEU  32          HD21      LEU  32 117.795  -8.319  12.629
  294   HD22  LEU  32          HD22      LEU  32 117.845  -7.910  14.343
  295   HD23  LEU  32          HD23      LEU  32 116.877  -6.940  13.234
  296    H    LYS  33           HN       LYS  33 112.796  -9.351  11.388
  297    HA   LYS  33           HA       LYS  33 113.080 -10.462   8.744
  298    HB2  LYS  33           HB2      LYS  33 111.846 -11.603  10.594
  299    HB3  LYS  33           HB1      LYS  33 110.614 -10.344  10.493
  300    HG2  LYS  33           HG2      LYS  33 110.146 -10.934   8.171
  301    HG3  LYS  33           HG1      LYS  33 111.443 -12.128   8.187
  302    HD2  LYS  33           HD2      LYS  33 110.266 -13.371   9.976
  303    HD3  LYS  33           HD1      LYS  33 108.955 -12.193   9.919
  304    HE2  LYS  33           HE2      LYS  33 108.505 -12.771   7.578
  305    HE3  LYS  33           HE1      LYS  33 109.851 -13.911   7.586
  306    HZ1  LYS  33           HZ1      LYS  33 108.754 -15.258   9.171
  307    HZ2  LYS  33           HZ2      LYS  33 107.613 -14.912   7.961
  308    HZ3  LYS  33           HZ3      LYS  33 107.553 -14.094   9.450
  309    H    PHE  34           HN       PHE  34 110.994  -7.985  10.232
  310    HA   PHE  34           HA       PHE  34 109.518  -7.353   7.925
  311    HB2  PHE  34           HB2      PHE  34 108.954  -6.663  10.273
  312    HB3  PHE  34           HB1      PHE  34 110.236  -5.457  10.170
  313    HD1  PHE  34           HD1      PHE  34 109.718  -3.325   9.371
  314    HD2  PHE  34           HD2      PHE  34 107.234  -6.649   8.261
  315    HE1  PHE  34           HE1      PHE  34 108.172  -1.779   8.202
  316    HE2  PHE  34           HE2      PHE  34 105.687  -5.102   7.091
  317    HZ   PHE  34           HZ       PHE  34 106.157  -2.667   7.061
  318    H    PHE  35           HN       PHE  35 112.583  -6.094   9.160
  319    HA   PHE  35           HA       PHE  35 112.772  -3.992   7.216
  320    HB2  PHE  35           HB2      PHE  35 113.906  -4.116   9.525
  321    HB3  PHE  35           HB1      PHE  35 115.093  -5.159   8.741
  322    HD1  PHE  35           HD1      PHE  35 116.218  -4.283   6.590
  323    HD2  PHE  35           HD2      PHE  35 114.061  -1.773   9.328
  324    HE1  PHE  35           HE1      PHE  35 117.361  -2.286   5.661
  325    HE2  PHE  35           HE2      PHE  35 115.203   0.223   8.400
  326    HZ   PHE  35           HZ       PHE  35 116.854  -0.034   6.567
  327    H    ASP  36           HN       ASP  36 114.326  -7.171   7.610
  328    HA   ASP  36           HA       ASP  36 115.761  -6.974   5.124
  329    HB2  ASP  36           HB2      ASP  36 115.221  -9.302   6.979
  330    HB3  ASP  36           HB1      ASP  36 116.253  -9.395   5.552
  331    H    PHE  37           HN       PHE  37 112.588  -7.900   6.053
  332    HA   PHE  37           HA       PHE  37 111.966  -9.802   4.075
  333    HB2  PHE  37           HB2      PHE  37 110.329  -9.651   5.707
  334    HB3  PHE  37           HB1      PHE  37 110.375  -7.888   5.737
  335    HD1  PHE  37           HD1      PHE  37 109.838 -10.514   3.101
  336    HD2  PHE  37           HD2      PHE  37 108.425  -6.902   4.947
  337    HE1  PHE  37           HE1      PHE  37 107.944 -10.437   1.501
  338    HE2  PHE  37           HE2      PHE  37 106.531  -6.825   3.347
  339    HZ   PHE  37           HZ       PHE  37 106.291  -8.591   1.625
  340    H    VAL  38           HN       VAL  38 111.452  -6.270   4.086
  341    HA   VAL  38           HA       VAL  38 110.636  -6.248   1.320
  342    HB   VAL  38           HB       VAL  38 111.036  -3.671   1.770
  343   HG11  VAL  38          HG11      VAL  38 108.773  -3.561   2.698
  344   HG12  VAL  38          HG12      VAL  38 108.868  -5.254   3.183
  345   HG13  VAL  38          HG13      VAL  38 108.849  -4.827   1.472
  346   HG21  VAL  38          HG21      VAL  38 110.514  -4.510   4.595
  347   HG22  VAL  38          HG22      VAL  38 111.251  -3.028   3.984
  348   HG23  VAL  38          HG23      VAL  38 112.183  -4.525   4.024
  349    H    LYS  39           HN       LYS  39 113.584  -5.598   3.129
  350    HA   LYS  39           HA       LYS  39 115.107  -4.303   1.196
  351    HB2  LYS  39           HB2      LYS  39 115.677  -4.916   3.657
  352    HB3  LYS  39           HB1      LYS  39 116.303  -6.414   2.968
  353    HG2  LYS  39           HG2      LYS  39 117.803  -5.160   1.505
  354    HG3  LYS  39           HG1      LYS  39 117.131  -3.635   2.083
  355    HD2  LYS  39           HD2      LYS  39 117.897  -4.182   4.377
  356    HD3  LYS  39           HD1      LYS  39 118.611  -5.676   3.768
  357    HE2  LYS  39           HE2      LYS  39 120.112  -4.416   2.316
  358    HE3  LYS  39           HE1      LYS  39 119.348  -2.900   2.795
  359    HZ1  LYS  39           HZ1      LYS  39 120.084  -3.240   5.041
  360    HZ2  LYS  39           HZ2      LYS  39 121.423  -3.352   4.002
  361    HZ3  LYS  39           HZ3      LYS  39 120.729  -4.760   4.654
  362    H    ASP  40           HN       ASP  40 114.370  -7.729   1.576
  363    HA   ASP  40           HA       ASP  40 116.153  -9.019   0.003
  364    HB2  ASP  40           HB2      ASP  40 114.162 -10.070   1.060
  365    HB3  ASP  40           HB1      ASP  40 113.159  -9.394  -0.222
  366    H    THR  41           HN       THR  41 113.173  -7.567  -1.336
  367    HA   THR  41           HA       THR  41 114.570  -7.338  -3.932
  368    HB   THR  41           HB       THR  41 112.104  -7.093  -4.752
  369    HG1  THR  41           HG1      THR  41 111.683  -7.267  -2.227
  370   HG21  THR  41          HG21      THR  41 113.595  -9.001  -5.249
  371   HG22  THR  41          HG22      THR  41 111.940  -9.538  -4.961
  372   HG23  THR  41          HG23      THR  41 113.162  -9.734  -3.704
  373    H    CYS  42           HN       CYS  42 113.560  -5.564  -1.303
  374    HA   CYS  42           HA       CYS  42 112.876  -3.361  -0.989
  375    HB2  CYS  42           HB2      CYS  42 114.565  -1.836  -1.711
  376    HB3  CYS  42           HB1      CYS  42 115.379  -3.370  -1.406
  377    HG   CYS  42           HG       CYS  42 115.672  -3.740  -3.908
  378    HA   PRO  43           HA       PRO  43 110.628  -3.020  -5.069
  379    HB2  PRO  43           HB2      PRO  43 108.148  -3.811  -4.244
  380    HB3  PRO  43           HB1      PRO  43 109.380  -4.942  -4.833
  381    HG2  PRO  43           HG2      PRO  43 108.478  -4.406  -2.075
  382    HG3  PRO  43           HG1      PRO  43 109.128  -5.891  -2.789
  383    HD2  PRO  43           HD2      PRO  43 110.545  -4.091  -1.150
  384    HD3  PRO  43           HD1      PRO  43 111.248  -5.384  -2.146
  385    H    TRP  44           HN       TRP  44 110.402  -1.752  -1.943
  386    HA   TRP  44           HA       TRP  44 108.179   0.016  -2.284
  387    HB2  TRP  44           HB2      TRP  44 110.050  -0.646  -0.213
  388    HB3  TRP  44           HB1      TRP  44 109.988   1.106  -0.397
  389    HD1  TRP  44           HD1      TRP  44 107.817   2.341   0.315
  390    HE1  TRP  44           HE1      TRP  44 105.634   1.592   1.463
  391    HE3  TRP  44           HE3      TRP  44 108.337  -2.728  -0.022
  392    HZ2  TRP  44           HZ2      TRP  44 104.286  -0.837   2.147
  393    HZ3  TRP  44           HZ3      TRP  44 106.591  -4.234   0.883
  394    HH2  TRP  44           HH2      TRP  44 104.567  -3.296   1.968
  395    H    PHE  45           HN       PHE  45 110.480  -0.041  -4.300
  396    HA   PHE  45           HA       PHE  45 111.583   1.461  -5.644
  397    HB2  PHE  45           HB2      PHE  45 109.228   2.941  -4.600
  398    HB3  PHE  45           HB1      PHE  45 110.495   3.898  -5.366
  399    HD1  PHE  45           HD1      PHE  45 109.572   0.384  -6.166
  400    HD2  PHE  45           HD2      PHE  45 109.447   4.488  -7.426
  401    HE1  PHE  45           HE1      PHE  45 108.762  -0.327  -8.400
  402    HE2  PHE  45           HE2      PHE  45 108.637   3.778  -9.659
  403    HZ   PHE  45           HZ       PHE  45 108.294   1.371 -10.146
  404    HA   PRO  46           HA       PRO  46 114.254   2.559  -2.020
  405    HB2  PRO  46           HB2      PRO  46 116.212   2.356  -4.264
  406    HB3  PRO  46           HB1      PRO  46 116.305   1.692  -2.622
  407    HG2  PRO  46           HG2      PRO  46 115.760   0.152  -4.732
  408    HG3  PRO  46           HG1      PRO  46 115.033  -0.139  -3.143
  409    HD2  PRO  46           HD2      PRO  46 113.787   0.965  -5.596
  410    HD3  PRO  46           HD1      PRO  46 113.039   0.058  -4.264
  411    H    GLN  47           HN       GLN  47 113.828   3.943  -5.192
  412    HA   GLN  47           HA       GLN  47 115.385   6.325  -4.612
  413    HB2  GLN  47           HB2      GLN  47 113.592   5.635  -6.952
  414    HB3  GLN  47           HB1      GLN  47 114.628   7.059  -6.848
  415    HG2  GLN  47           HG2      GLN  47 116.605   5.578  -6.596
  416    HG3  GLN  47           HG1      GLN  47 115.555   4.173  -6.775
  417   HE21  GLN  47          HE21      GLN  47 115.915   3.361  -8.850
  418   HE22  GLN  47          HE22      GLN  47 115.971   4.305 -10.260
  419    H    GLU  48           HN       GLU  48 111.956   5.572  -5.241
  420    HA   GLU  48           HA       GLU  48 111.172   8.240  -4.362
  421    HB2  GLU  48           HB2      GLU  48 110.021   6.152  -6.000
  422    HB3  GLU  48           HB1      GLU  48 108.876   6.679  -4.767
  423    HG2  GLU  48           HG2      GLU  48 108.683   8.052  -6.815
  424    HG3  GLU  48           HG1      GLU  48 109.207   9.020  -5.438
  425    H    GLY  49           HN       GLY  49 111.707   5.213  -2.970
  426    HA2  GLY  49           HA2      GLY  49 110.952   4.166  -1.038
  427    HA3  GLY  49           HA1      GLY  49 111.227   5.771  -0.368
  428    H    THR  50           HN       THR  50 108.807   5.177  -2.819
  429    HA   THR  50           HA       THR  50 106.741   6.093  -0.962
  430    HB   THR  50           HB       THR  50 106.896   7.115  -3.206
  431    HG1  THR  50           HG1      THR  50 104.618   6.371  -3.801
  432   HG21  THR  50          HG21      THR  50 106.736   5.905  -5.179
  433   HG22  THR  50          HG22      THR  50 105.871   4.574  -4.413
  434   HG23  THR  50          HG23      THR  50 107.607   4.755  -4.164
  435    H    ILE  51           HN       ILE  51 104.550   5.004  -1.186
  436    HA   ILE  51           HA       ILE  51 104.928   2.088  -1.025
  437    HB   ILE  51           HB       ILE  51 102.410   3.488  -0.196
  438   HG12  ILE  51          HG12      ILE  51 105.105   3.602   1.138
  439   HG13  ILE  51          HG11      ILE  51 103.892   4.873   0.974
  440   HG21  ILE  51          HG21      ILE  51 102.852   0.935  -0.226
  441   HG22  ILE  51          HG22      ILE  51 102.181   1.631   1.249
  442   HG23  ILE  51          HG23      ILE  51 103.899   1.240   1.160
  443   HD11  ILE  51          HD11      ILE  51 103.934   2.541   2.877
  444   HD12  ILE  51          HD12      ILE  51 102.406   3.312   2.445
  445   HD13  ILE  51          HD13      ILE  51 103.679   4.251   3.228
  446    H    ASP  52           HN       ASP  52 103.762   0.678  -2.272
  447    HA   ASP  52           HA       ASP  52 101.877   1.817  -4.233
  448    HB2  ASP  52           HB2      ASP  52 104.056   1.583  -5.347
  449    HB3  ASP  52           HB1      ASP  52 104.119  -0.114  -4.871
  450    H    ILE  53           HN       ILE  53 100.011   0.751  -4.207
  451    HA   ILE  53           HA       ILE  53  99.665  -1.628  -2.656
  452    HB   ILE  53           HB       ILE  53  97.724  -0.414  -4.631
  453   HG12  ILE  53          HG12      ILE  53  98.471   1.332  -3.103
  454   HG13  ILE  53          HG11      ILE  53  96.856   0.812  -2.620
  455   HG21  ILE  53          HG21      ILE  53  97.143  -2.658  -3.792
  456   HG22  ILE  53          HG22      ILE  53  96.054  -1.442  -3.124
  457   HG23  ILE  53          HG23      ILE  53  97.357  -2.098  -2.133
  458   HD11  ILE  53          HD11      ILE  53  99.499   0.183  -1.317
  459   HD12  ILE  53          HD12      ILE  53  98.094  -0.850  -1.054
  460   HD13  ILE  53          HD13      ILE  53  98.040   0.850  -0.584
  461    H    LYS  54           HN       LYS  54  99.802  -0.909  -6.119
  462    HA   LYS  54           HA       LYS  54  99.030  -3.450  -7.064
  463    HB2  LYS  54           HB2      LYS  54 100.823  -1.355  -8.313
  464    HB3  LYS  54           HB1      LYS  54 100.186  -2.762  -9.165
  465    HG2  LYS  54           HG2      LYS  54  97.885  -2.021  -8.686
  466    HG3  LYS  54           HG1      LYS  54  98.513  -0.616  -7.824
  467    HD2  LYS  54           HD2      LYS  54  99.615   0.167  -9.884
  468    HD3  LYS  54           HD1      LYS  54  99.000  -1.241 -10.752
  469    HE2  LYS  54           HE2      LYS  54  96.694  -0.526 -10.331
  470    HE3  LYS  54           HE1      LYS  54  97.274   0.849  -9.391
  471    HZ1  LYS  54           HZ1      LYS  54  97.540   0.363 -12.293
  472    HZ2  LYS  54           HZ2      LYS  54  98.549   1.464 -11.483
  473    HZ3  LYS  54           HZ3      LYS  54  96.868   1.705 -11.504
  474    H    ARG  55           HN       ARG  55 102.321  -2.070  -6.840
  475    HA   ARG  55           HA       ARG  55 103.656  -4.484  -7.436
  476    HB2  ARG  55           HB2      ARG  55 104.556  -1.984  -5.995
  477    HB3  ARG  55           HB1      ARG  55 105.642  -3.320  -6.382
  478    HG2  ARG  55           HG2      ARG  55 105.156  -3.077  -8.761
  479    HG3  ARG  55           HG1      ARG  55 103.970  -1.818  -8.418
  480    HD2  ARG  55           HD2      ARG  55 105.767  -0.425  -7.421
  481    HD3  ARG  55           HD1      ARG  55 106.941  -1.670  -7.837
  482    HE   ARG  55           HE       ARG  55 105.660   0.192  -9.672
  483   HH11  ARG  55          HH11      ARG  55 106.482   0.146 -11.789
  484   HH12  ARG  55          HH12      ARG  55 107.521  -1.148 -12.282
  485   HH21  ARG  55          HH21      ARG  55 107.426  -2.748  -9.206
  486   HH22  ARG  55          HH22      ARG  55 108.056  -2.787 -10.819
  487    H    TRP  56           HN       TRP  56 102.423  -3.139  -4.448
  488    HA   TRP  56           HA       TRP  56 103.849  -4.682  -2.591
  489    HB2  TRP  56           HB2      TRP  56 102.569  -2.919  -1.700
  490    HB3  TRP  56           HB1      TRP  56 101.111  -3.430  -2.550
  491    HD1  TRP  56           HD1      TRP  56  99.439  -4.464  -0.959
  492    HE1  TRP  56           HE1      TRP  56  99.551  -5.959   1.139
  493    HE3  TRP  56           HE3      TRP  56 104.501  -4.943  -0.487
  494    HZ2  TRP  56           HZ2      TRP  56 101.527  -7.194   2.797
  495    HZ3  TRP  56           HZ3      TRP  56 105.470  -6.282   1.360
  496    HH2  TRP  56           HH2      TRP  56 103.990  -7.408   3.000
  497    H    ARG  57           HN       ARG  57 100.878  -5.383  -4.392
  498    HA   ARG  57           HA       ARG  57 100.323  -7.868  -3.133
  499    HB2  ARG  57           HB2      ARG  57  99.545  -6.771  -5.844
  500    HB3  ARG  57           HB1      ARG  57  98.917  -8.277  -5.173
  501    HG2  ARG  57           HG2      ARG  57  98.018  -7.064  -3.236
  502    HG3  ARG  57           HG1      ARG  57  98.681  -5.554  -3.860
  503    HD2  ARG  57           HD2      ARG  57  96.693  -7.266  -5.371
  504    HD3  ARG  57           HD1      ARG  57  96.237  -5.892  -4.369
  505    HE   ARG  57           HE       ARG  57  98.194  -5.008  -6.170
  506   HH11  ARG  57          HH11      ARG  57  97.568  -3.915  -8.061
  507   HH12  ARG  57          HH12      ARG  57  95.960  -4.113  -8.676
  508   HH21  ARG  57          HH21      ARG  57  94.977  -6.285  -6.159
  509   HH22  ARG  57          HH22      ARG  57  94.494  -5.454  -7.600
  510    H    ARG  58           HN       ARG  58 102.337  -6.923  -5.854
  511    HA   ARG  58           HA       ARG  58 102.803  -9.485  -6.942
  512    HB2  ARG  58           HB2      ARG  58 103.397  -7.362  -8.078
  513    HB3  ARG  58           HB1      ARG  58 104.678  -7.107  -6.892
  514    HG2  ARG  58           HG2      ARG  58 105.751  -9.213  -7.577
  515    HG3  ARG  58           HG1      ARG  58 104.463  -9.497  -8.748
  516    HD2  ARG  58           HD2      ARG  58 105.064  -7.340  -9.861
  517    HD3  ARG  58           HD1      ARG  58 106.423  -7.186  -8.752
  518    HE   ARG  58           HE       ARG  58 106.190  -9.081 -10.968
  519   HH11  ARG  58          HH11      ARG  58 108.128 -10.153 -11.474
  520   HH12  ARG  58          HH12      ARG  58 109.482 -10.036 -10.400
  521   HH21  ARG  58          HH21      ARG  58 107.837  -8.003  -8.122
  522   HH22  ARG  58          HH22      ARG  58 109.317  -8.818  -8.502
  523    H    VAL  59           HN       VAL  59 104.763  -7.579  -4.645
  524    HA   VAL  59           HA       VAL  59 106.665  -9.617  -4.150
  525    HB   VAL  59           HB       VAL  59 107.233  -7.362  -3.587
  526   HG11  VAL  59          HG11      VAL  59 104.915  -7.410  -1.632
  527   HG12  VAL  59          HG12      VAL  59 104.871  -6.617  -3.207
  528   HG13  VAL  59          HG13      VAL  59 105.983  -6.047  -1.964
  529   HG21  VAL  59          HG21      VAL  59 106.791  -8.377  -0.825
  530   HG22  VAL  59          HG22      VAL  59 108.277  -7.819  -1.594
  531   HG23  VAL  59          HG23      VAL  59 107.674  -9.443  -1.918
  532    H    GLY  60           HN       GLY  60 103.643  -8.717  -2.539
  533    HA2  GLY  60           HA2      GLY  60 103.838 -10.432  -0.318
  534    HA3  GLY  60           HA1      GLY  60 102.334  -9.831  -1.008
  535    H    ASP  61           HN       ASP  61 102.302 -10.942  -3.496
  536    HA   ASP  61           HA       ASP  61 101.512 -13.629  -2.929
  537    HB2  ASP  61           HB2      ASP  61 101.620 -11.903  -5.374
  538    HB3  ASP  61           HB1      ASP  61 101.383 -13.640  -5.557
  539    H    CYS  62           HN       CYS  62 104.286 -12.145  -4.539
  540    HA   CYS  62           HA       CYS  62 105.410 -14.511  -5.597
  541    HB2  CYS  62           HB2      CYS  62 106.656 -11.876  -4.797
  542    HB3  CYS  62           HB1      CYS  62 107.546 -13.166  -5.606
  543    HG   CYS  62           HG       CYS  62 106.516 -12.478  -7.746
  544    H    PHE  63           HN       PHE  63 105.716 -12.919  -2.463
  545    HA   PHE  63           HA       PHE  63 107.762 -14.756  -1.545
  546    HB2  PHE  63           HB2      PHE  63 106.298 -12.419  -0.382
  547    HB3  PHE  63           HB1      PHE  63 107.104 -13.549   0.706
  548    HD1  PHE  63           HD1      PHE  63 107.859 -11.971  -2.622
  549    HD2  PHE  63           HD2      PHE  63 109.250 -12.920   1.330
  550    HE1  PHE  63           HE1      PHE  63 110.043 -10.915  -3.137
  551    HE2  PHE  63           HE2      PHE  63 111.434 -11.864   0.814
  552    HZ   PHE  63           HZ       PHE  63 111.831 -10.861  -1.419
  553    H    GLN  64           HN       GLN  64 104.305 -14.203  -0.977
  554    HA   GLN  64           HA       GLN  64 103.980 -16.198   1.011
  555    HB2  GLN  64           HB2      GLN  64 102.329 -14.418   0.659
  556    HB3  GLN  64           HB1      GLN  64 101.958 -15.068  -0.939
  557    HG2  GLN  64           HG2      GLN  64 101.182 -17.160   0.051
  558    HG3  GLN  64           HG1      GLN  64 101.640 -16.598   1.658
  559   HE21  GLN  64          HE21      GLN  64  98.916 -17.331   0.886
  560   HE22  GLN  64          HE22      GLN  64  97.968 -15.929   1.021
  561    H    ASP  65           HN       ASP  65 103.810 -16.253  -2.512
  562    HA   ASP  65           HA       ASP  65 102.704 -18.844  -2.787
  563    HB2  ASP  65           HB2      ASP  65 102.696 -17.351  -4.673
  564    HB3  ASP  65           HB1      ASP  65 104.451 -17.201  -4.627
  565    H    TYR  66           HN       TYR  66 106.090 -17.735  -3.038
  566    HA   TYR  66           HA       TYR  66 107.165 -20.368  -3.217
  567    HB2  TYR  66           HB2      TYR  66 108.326 -17.643  -2.709
  568    HB3  TYR  66           HB1      TYR  66 109.325 -19.088  -2.545
  569    HD1  TYR  66           HD1      TYR  66 110.371 -19.970  -4.439
  570    HD2  TYR  66           HD2      TYR  66 106.890 -17.500  -4.915
  571    HE1  TYR  66           HE1      TYR  66 110.641 -20.064  -6.903
  572    HE2  TYR  66           HE2      TYR  66 107.159 -17.594  -7.378
  573    HH   TYR  66           HH       TYR  66 109.752 -19.530  -8.870
  574    H    TYR  67           HN       TYR  67 106.727 -18.070  -0.555
  575    HA   TYR  67           HA       TYR  67 108.110 -19.525   1.424
  576    HB2  TYR  67           HB2      TYR  67 107.494 -17.198   1.767
  577    HB3  TYR  67           HB1      TYR  67 105.781 -17.609   1.682
  578    HD1  TYR  67           HD1      TYR  67 108.841 -18.829   3.494
  579    HD2  TYR  67           HD2      TYR  67 104.679 -17.792   3.719
  580    HE1  TYR  67           HE1      TYR  67 108.844 -19.347   5.920
  581    HE2  TYR  67           HE2      TYR  67 104.681 -18.309   6.144
  582    HH   TYR  67           HH       TYR  67 106.291 -18.447   7.992
  583    H    ASN  68           HN       ASN  68 104.670 -19.499   0.515
  584    HA   ASN  68           HA       ASN  68 103.819 -21.359   2.471
  585    HB2  ASN  68           HB2      ASN  68 102.292 -19.862   1.207
  586    HB3  ASN  68           HB1      ASN  68 102.601 -20.812  -0.245
  587   HD21  ASN  68          HD21      ASN  68  99.964 -20.627   0.807
  588   HD22  ASN  68          HD22      ASN  68  99.517 -22.145   1.420
  589    H    THR  69           HN       THR  69 105.007 -21.732  -0.837
  590    HA   THR  69           HA       THR  69 104.426 -24.483  -1.129
  591    HB   THR  69           HB       THR  69 106.192 -24.407  -2.907
  592    HG1  THR  69           HG1      THR  69 107.643 -22.941  -2.541
  593   HG21  THR  69          HG21      THR  69 104.253 -23.812  -3.936
  594   HG22  THR  69          HG22      THR  69 104.976 -22.203  -3.960
  595   HG23  THR  69          HG23      THR  69 103.837 -22.639  -2.686
  596    H    PHE  70           HN       PHE  70 107.105 -22.758   0.345
  597    HA   PHE  70           HA       PHE  70 108.363 -25.346   1.021
  598    HB2  PHE  70           HB2      PHE  70 109.589 -22.577   1.000
  599    HB3  PHE  70           HB1      PHE  70 110.433 -24.081   1.367
  600    HD1  PHE  70           HD1      PHE  70 109.920 -21.762  -1.150
  601    HD2  PHE  70           HD2      PHE  70 109.878 -26.009  -0.511
  602    HE1  PHE  70           HE1      PHE  70 110.321 -22.130  -3.570
  603    HE2  PHE  70           HE2      PHE  70 110.278 -26.377  -2.930
  604    HZ   PHE  70           HZ       PHE  70 110.500 -24.438  -4.460
  605    H    GLY  71           HN       GLY  71 106.168 -23.474   2.305
  606    HA2  GLY  71           HA2      GLY  71 107.248 -23.746   5.046
  607    HA3  GLY  71           HA1      GLY  71 106.377 -22.298   4.552
  608    HA   PRO  72           HA       PRO  72 103.203 -25.163   6.222
  609    HB2  PRO  72           HB2      PRO  72 101.989 -23.349   7.855
  610    HB3  PRO  72           HB1      PRO  72 103.420 -24.277   8.341
  611    HG2  PRO  72           HG2      PRO  72 103.197 -21.450   7.508
  612    HG3  PRO  72           HG1      PRO  72 104.325 -22.214   8.638
  613    HD2  PRO  72           HD2      PRO  72 104.902 -21.480   5.989
  614    HD3  PRO  72           HD1      PRO  72 105.884 -22.571   6.990
  615    H    GLU  73           HN       GLU  73 100.878 -25.143   5.934
  616    HA   GLU  73           HA       GLU  73 100.058 -23.610   3.619
  617    HB2  GLU  73           HB2      GLU  73  99.423 -25.986   3.887
  618    HB3  GLU  73           HB1      GLU  73  98.486 -25.561   5.320
  619    HG2  GLU  73           HG2      GLU  73  97.018 -24.143   4.014
  620    HG3  GLU  73           HG1      GLU  73  98.019 -24.358   2.580
  621    H    LYS  74           HN       LYS  74  99.629 -23.480   7.066
  622    HA   LYS  74           HA       LYS  74  97.285 -21.915   7.195
  623    HB2  LYS  74           HB2      LYS  74  99.659 -22.056   9.068
  624    HB3  LYS  74           HB1      LYS  74  98.135 -21.251   9.445
  625    HG2  LYS  74           HG2      LYS  74  97.081 -23.210   9.864
  626    HG3  LYS  74           HG1      LYS  74  97.765 -23.976   8.429
  627    HD2  LYS  74           HD2      LYS  74  98.636 -25.152  10.344
  628    HD3  LYS  74           HD1      LYS  74  99.951 -24.171   9.692
  629    HE2  LYS  74           HE2      LYS  74  99.583 -22.462  11.380
  630    HE3  LYS  74           HE1      LYS  74  98.152 -23.303  11.974
  631    HZ1  LYS  74           HZ1      LYS  74 100.160 -23.717  13.315
  632    HZ2  LYS  74           HZ2      LYS  74 100.890 -24.451  11.967
  633    HZ3  LYS  74           HZ3      LYS  74  99.499 -25.137  12.664
  634    H    VAL  75           HN       VAL  75 100.719 -20.985   7.097
  635    HA   VAL  75           HA       VAL  75 101.746 -19.003   6.555
  636    HB   VAL  75           HB       VAL  75  99.145 -18.393   5.132
  637   HG11  VAL  75          HG11      VAL  75 100.810 -16.522   5.458
  638   HG12  VAL  75          HG12      VAL  75 100.495 -16.924   3.769
  639   HG13  VAL  75          HG13      VAL  75 101.976 -17.482   4.547
  640   HG21  VAL  75          HG21      VAL  75 100.129 -19.478   3.194
  641   HG22  VAL  75          HG22      VAL  75 100.159 -20.621   4.538
  642   HG23  VAL  75          HG23      VAL  75 101.631 -19.770   4.070
  643    HA   PRO  76           HA       PRO  76 100.615 -16.357   9.928
  644    HB2  PRO  76           HB2      PRO  76 102.154 -14.362   8.330
  645    HB3  PRO  76           HB1      PRO  76 102.345 -14.839  10.029
  646    HG2  PRO  76           HG2      PRO  76 104.037 -15.660   8.130
  647    HG3  PRO  76           HG1      PRO  76 103.604 -16.679   9.512
  648    HD2  PRO  76           HD2      PRO  76 102.769 -16.907   6.666
  649    HD3  PRO  76           HD1      PRO  76 102.947 -18.168   7.905
  650    H    VAL  77           HN       VAL  77  98.689 -15.375  10.138
  651    HA   VAL  77           HA       VAL  77  97.349 -14.239   7.830
  652    HB   VAL  77           HB       VAL  77  96.478 -14.455  10.723
  653   HG11  VAL  77          HG11      VAL  77  94.917 -12.959  10.026
  654   HG12  VAL  77          HG12      VAL  77  94.227 -14.324   9.149
  655   HG13  VAL  77          HG13      VAL  77  95.310 -13.204   8.324
  656   HG21  VAL  77          HG21      VAL  77  96.776 -16.421   8.700
  657   HG22  VAL  77          HG22      VAL  77  95.046 -16.098   8.832
  658   HG23  VAL  77          HG23      VAL  77  95.961 -16.599  10.255
  659    H    THR  78           HN       THR  78  99.139 -13.120  10.583
  660    HA   THR  78           HA       THR  78  98.213 -10.566  11.008
  661    HB   THR  78           HB       THR  78 100.368 -10.025  11.851
  662    HG1  THR  78           HG1      THR  78 102.202 -11.022  11.131
  663   HG21  THR  78          HG21      THR  78 100.657 -11.757  13.352
  664   HG22  THR  78          HG22      THR  78 100.533 -12.998  12.105
  665   HG23  THR  78          HG23      THR  78  99.079 -12.195  12.699
  666    H    ALA  79           HN       ALA  79  99.895 -11.816   8.229
  667    HA   ALA  79           HA       ALA  79 100.845  -9.437   7.088
  668    HB1  ALA  79           HB1      ALA  79 100.227 -12.162   6.147
  669    HB2  ALA  79           HB2      ALA  79 101.636 -11.149   5.831
  670    HB3  ALA  79           HB3      ALA  79 100.154 -10.913   4.904
  671    H    PHE  80           HN       PHE  80  97.633 -10.665   7.430
  672    HA   PHE  80           HA       PHE  80  96.426  -9.223   5.279
  673    HB2  PHE  80           HB2      PHE  80  95.485 -11.241   6.568
  674    HB3  PHE  80           HB1      PHE  80  95.009 -10.071   7.799
  675    HD1  PHE  80           HD1      PHE  80  92.993  -8.895   7.574
  676    HD2  PHE  80           HD2      PHE  80  94.781 -10.703   4.113
  677    HE1  PHE  80           HE1      PHE  80  91.001  -8.287   6.228
  678    HE2  PHE  80           HE2      PHE  80  92.789 -10.095   2.767
  679    HZ   PHE  80           HZ       PHE  80  90.899  -8.887   3.825
  680    H    SER  81           HN       SER  81  97.119  -8.514   8.654
  681    HA   SER  81           HA       SER  81  95.523  -6.153   8.814
  682    HB2  SER  81           HB2      SER  81  97.930  -6.957  10.463
  683    HB3  SER  81           HB1      SER  81  96.754  -5.714  10.883
  684    HG   SER  81           HG       SER  81  95.915  -8.330  10.277
  685    H    TYR  82           HN       TYR  82  98.923  -6.787   8.057
  686    HA   TYR  82           HA       TYR  82  99.847  -4.142   8.016
  687    HB2  TYR  82           HB2      TYR  82 100.742  -6.738   6.946
  688    HB3  TYR  82           HB1      TYR  82 101.331  -5.332   6.058
  689    HD1  TYR  82           HD1      TYR  82 101.357  -7.108   9.277
  690    HD2  TYR  82           HD2      TYR  82 102.747  -3.650   7.142
  691    HE1  TYR  82           HE1      TYR  82 103.013  -6.666  11.071
  692    HE2  TYR  82           HE2      TYR  82 104.403  -3.208   8.935
  693    HH   TYR  82           HH       TYR  82 105.517  -5.190  10.935
  694    H    TRP  83           HN       TRP  83  98.566  -6.140   5.356
  695    HA   TRP  83           HA       TRP  83  98.790  -4.212   3.328
  696    HB2  TRP  83           HB2      TRP  83  98.362  -6.404   2.601
  697    HB3  TRP  83           HB1      TRP  83  97.008  -6.606   3.711
  698    HD1  TRP  83           HD1      TRP  83  97.911  -4.255   0.765
  699    HE1  TRP  83           HE1      TRP  83  95.773  -3.856  -0.620
  700    HE3  TRP  83           HE3      TRP  83  94.564  -6.961   3.512
  701    HZ2  TRP  83           HZ2      TRP  83  93.009  -4.588  -0.569
  702    HZ3  TRP  83           HZ3      TRP  83  92.188  -7.094   2.822
  703    HH2  TRP  83           HH2      TRP  83  91.406  -5.912   0.788
  704    H    ASN  84           HN       ASN  84  96.169  -4.892   5.615
  705    HA   ASN  84           HA       ASN  84  94.290  -3.085   4.501
  706    HB2  ASN  84           HB2      ASN  84  94.595  -4.340   7.224
  707    HB3  ASN  84           HB1      ASN  84  93.293  -3.209   6.865
  708   HD21  ASN  84          HD21      ASN  84  93.150  -6.185   7.410
  709   HD22  ASN  84          HD22      ASN  84  92.361  -6.838   6.057
  710    H    LEU  85           HN       LEU  85  96.725  -2.755   7.058
  711    HA   LEU  85           HA       LEU  85  95.947  -0.107   7.805
  712    HB2  LEU  85           HB2      LEU  85  97.153  -1.525   9.371
  713    HB3  LEU  85           HB1      LEU  85  98.525  -1.627   8.266
  714    HG   LEU  85           HG       LEU  85  98.864   0.802   8.438
  715   HD11  LEU  85          HD11      LEU  85  96.324   0.585  10.013
  716   HD12  LEU  85          HD12      LEU  85  96.799   1.795   8.822
  717   HD13  LEU  85          HD13      LEU  85  97.485   1.840  10.447
  718   HD21  LEU  85          HD21      LEU  85  99.849  -0.847  10.124
  719   HD22  LEU  85          HD22      LEU  85  98.568  -0.342  11.225
  720   HD23  LEU  85          HD23      LEU  85  99.757   0.830  10.660
  721    H    ILE  86           HN       ILE  86  98.470  -1.445   5.698
  722    HA   ILE  86           HA       ILE  86  99.629   1.074   5.026
  723    HB   ILE  86           HB       ILE  86  99.961  -1.724   4.256
  724   HG12  ILE  86          HG12      ILE  86 101.959   0.502   3.921
  725   HG13  ILE  86          HG11      ILE  86 101.484  -0.015   5.540
  726   HG21  ILE  86          HG21      ILE  86 100.263   0.462   2.177
  727   HG22  ILE  86          HG22      ILE  86  99.238  -0.969   2.068
  728   HG23  ILE  86          HG23      ILE  86 100.994  -1.137   2.037
  729   HD11  ILE  86          HD11      ILE  86 102.297  -2.063   3.493
  730   HD12  ILE  86          HD12      ILE  86 102.360  -2.167   5.253
  731   HD13  ILE  86          HD13      ILE  86 103.531  -1.173   4.385
  732    H    LYS  87           HN       LYS  87  97.037  -0.885   3.675
  733    HA   LYS  87           HA       LYS  87  96.711   0.400   1.209
  734    HB2  LYS  87           HB2      LYS  87  95.403  -1.491   1.360
  735    HB3  LYS  87           HB1      LYS  87  94.930  -1.161   3.027
  736    HG2  LYS  87           HG2      LYS  87  93.384   0.533   2.354
  737    HG3  LYS  87           HG1      LYS  87  94.024   0.559   0.710
  738    HD2  LYS  87           HD2      LYS  87  93.243  -1.767   0.376
  739    HD3  LYS  87           HD1      LYS  87  92.574  -1.767   2.009
  740    HE2  LYS  87           HE2      LYS  87  91.085   0.098   1.413
  741    HE3  LYS  87           HE1      LYS  87  91.765   0.133  -0.213
  742    HZ1  LYS  87           HZ1      LYS  87  89.632  -1.357   0.613
  743    HZ2  LYS  87           HZ2      LYS  87  90.904  -2.483   0.540
  744    HZ3  LYS  87           HZ3      LYS  87  90.498  -1.565  -0.831
  745    H    GLU  88           HN       GLU  88  95.553   1.254   4.432
  746    HA   GLU  88           HA       GLU  88  94.024   3.513   3.411
  747    HB2  GLU  88           HB2      GLU  88  93.495   3.892   5.814
  748    HB3  GLU  88           HB1      GLU  88  93.086   2.264   5.273
  749    HG2  GLU  88           HG2      GLU  88  95.120   1.369   6.246
  750    HG3  GLU  88           HG1      GLU  88  95.682   2.989   6.658
  751    H    LEU  89           HN       LEU  89  97.162   2.851   4.685
  752    HA   LEU  89           HA       LEU  89  97.823   5.319   5.843
  753    HB2  LEU  89           HB2      LEU  89  99.132   3.013   5.651
  754    HB3  LEU  89           HB1      LEU  89  99.893   3.836   4.289
  755    HG   LEU  89           HG       LEU  89 101.204   4.278   6.286
  756   HD11  LEU  89          HD11      LEU  89 101.332   6.617   6.101
  757   HD12  LEU  89          HD12      LEU  89  99.590   6.790   5.891
  758   HD13  LEU  89          HD13      LEU  89 100.577   6.147   4.577
  759   HD21  LEU  89          HD21      LEU  89  98.745   4.133   7.587
  760   HD22  LEU  89          HD22      LEU  89  99.186   5.836   7.720
  761   HD23  LEU  89          HD23      LEU  89 100.278   4.592   8.329
  762    H    ILE  90           HN       ILE  90  98.153   4.187   2.489
  763    HA   ILE  90           HA       ILE  90  99.423   6.491   1.473
  764    HB   ILE  90           HB       ILE  90  97.643   4.454   0.116
  765   HG12  ILE  90          HG12      ILE  90 100.632   4.780   0.479
  766   HG13  ILE  90          HG11      ILE  90  99.626   3.408   0.950
  767   HG21  ILE  90          HG21      ILE  90  99.548   6.435  -1.160
  768   HG22  ILE  90          HG22      ILE  90  97.804   6.681  -1.073
  769   HG23  ILE  90          HG23      ILE  90  98.458   5.320  -1.983
  770   HD11  ILE  90          HD11      ILE  90 100.447   2.557  -1.022
  771   HD12  ILE  90          HD12      ILE  90 100.677   4.153  -1.737
  772   HD13  ILE  90          HD13      ILE  90  99.066   3.437  -1.676
  773    H    ASP  91           HN       ASP  91  95.995   5.607   1.727
  774    HA   ASP  91           HA       ASP  91  94.930   7.822   0.359
  775    HB2  ASP  91           HB2      ASP  91  93.868   5.941   2.442
  776    HB3  ASP  91           HB1      ASP  91  92.912   7.335   1.945
  777    H    LYS  92           HN       LYS  92  95.976   7.403   3.694
  778    HA   LYS  92           HA       LYS  92  94.858   9.807   4.716
  779    HB2  LYS  92           HB2      LYS  92  97.109   8.019   5.630
  780    HB3  LYS  92           HB1      LYS  92  96.658   9.480   6.509
  781    HG2  LYS  92           HG2      LYS  92  94.367   8.652   6.769
  782    HG3  LYS  92           HG1      LYS  92  94.762   7.213   5.827
  783    HD2  LYS  92           HD2      LYS  92  96.474   6.600   7.523
  784    HD3  LYS  92           HD1      LYS  92  95.999   8.003   8.481
  785    HE2  LYS  92           HE2      LYS  92  93.706   7.112   8.661
  786    HE3  LYS  92           HE1      LYS  92  94.175   5.710   7.699
  787    HZ1  LYS  92           HZ1      LYS  92  95.778   5.111   9.384
  788    HZ2  LYS  92           HZ2      LYS  92  94.234   5.251  10.082
  789    HZ3  LYS  92           HZ3      LYS  92  95.383   6.483  10.300
  790    H    LYS  93           HN       LYS  93  95.766  11.829   5.026
  791    HA   LYS  93           HA       LYS  93  97.613  12.709   3.037
  792    HB2  LYS  93           HB2      LYS  93  96.472  14.085   5.479
  793    HB3  LYS  93           HB1      LYS  93  97.474  14.890   4.270
  794    HG2  LYS  93           HG2      LYS  93  95.848  14.303   2.516
  795    HG3  LYS  93           HG1      LYS  93  94.848  13.479   3.713
  796    HD2  LYS  93           HD2      LYS  93  94.539  15.587   4.935
  797    HD3  LYS  93           HD1      LYS  93  95.575  16.423   3.777
  798    HE2  LYS  93           HE2      LYS  93  94.004  15.906   1.964
  799    HE3  LYS  93           HE1      LYS  93  92.980  15.010   3.088
  800    HZ1  LYS  93           HZ1      LYS  93  91.955  17.000   3.221
  801    HZ2  LYS  93           HZ2      LYS  93  93.338  17.884   2.783
  802    HZ3  LYS  93           HZ3      LYS  93  93.162  17.309   4.372
  803    H    GLU  94           HN       GLU  94  98.145  11.008   5.803
  804    HA   GLU  94           HA       GLU  94 100.471  12.378   6.807
  805    HB2  GLU  94           HB2      GLU  94  98.956  10.813   8.131
  806    HB3  GLU  94           HB1      GLU  94  99.743   9.486   7.276
  807    HG2  GLU  94           HG2      GLU  94 101.920  10.166   8.123
  808    HG3  GLU  94           HG1      GLU  94 101.217  11.596   8.874
  809    H    VAL  95           HN       VAL  95 101.018  12.316   4.237
  810    HA   VAL  95           HA       VAL  95 102.872  10.041   3.855
  811    HB   VAL  95           HB       VAL  95 102.685  10.678   1.392
  812   HG11  VAL  95          HG11      VAL  95 100.089   9.799   1.555
  813   HG12  VAL  95          HG12      VAL  95 100.722   9.329   3.132
  814   HG13  VAL  95          HG13      VAL  95 101.504   8.752   1.660
  815   HG21  VAL  95          HG21      VAL  95 100.217  12.120   2.411
  816   HG22  VAL  95          HG22      VAL  95 100.738  11.978   0.732
  817   HG23  VAL  95          HG23      VAL  95 101.685  12.936   1.871
  818    H    ASN  96           HN       ASN  96 104.987  10.468   3.562
  819    HA   ASN  96           HA       ASN  96 106.007  13.050   4.170
  820    HB2  ASN  96           HB2      ASN  96 107.996  11.481   2.860
  821    HB3  ASN  96           HB1      ASN  96 107.829  11.820   4.582
  822   HD21  ASN  96          HD21      ASN  96 106.899   9.506   2.030
  823   HD22  ASN  96          HD22      ASN  96 106.508   8.244   3.095
  824    HA   PRO  97           HA       PRO  97 106.539  15.382   0.505
  825    HB2  PRO  97           HB2      PRO  97 109.450  14.685   0.494
  826    HB3  PRO  97           HB1      PRO  97 108.671  16.273   0.364
  827    HG2  PRO  97           HG2      PRO  97 109.810  15.390   2.639
  828    HG3  PRO  97           HG1      PRO  97 108.418  16.484   2.618
  829    HD2  PRO  97           HD2      PRO  97 108.534  13.648   3.431
  830    HD3  PRO  97           HD1      PRO  97 107.292  14.865   3.793
  831    H    GLN  98           HN       GLN  98 107.628  12.117   0.666
  832    HA   GLN  98           HA       GLN  98 108.531  11.493  -1.846
  833    HB2  GLN  98           HB2      GLN  98 107.977   9.291  -1.386
  834    HB3  GLN  98           HB1      GLN  98 107.966   9.982   0.237
  835    HG2  GLN  98           HG2      GLN  98 105.453  10.474  -0.241
  836    HG3  GLN  98           HG1      GLN  98 105.628   9.276  -1.523
  837   HE21  GLN  98          HE21      GLN  98 103.936   8.802   0.744
  838   HE22  GLN  98          HE22      GLN  98 104.614   7.540   1.656
  839    H    VAL  99           HN       VAL  99 105.529  12.860  -1.061
  840    HA   VAL  99           HA       VAL  99 103.823  11.779  -3.011
  841    HB   VAL  99           HB       VAL  99 103.897  14.566  -1.830
  842   HG11  VAL  99          HG11      VAL  99 102.545  14.800  -3.732
  843   HG12  VAL  99          HG12      VAL  99 101.376  14.356  -2.488
  844   HG13  VAL  99          HG13      VAL  99 101.950  13.142  -3.631
  845   HG21  VAL  99          HG21      VAL  99 102.065  13.638  -0.406
  846   HG22  VAL  99          HG22      VAL  99 103.602  12.811  -0.153
  847   HG23  VAL  99          HG23      VAL  99 102.344  12.053  -1.129
  848    H    MET 100           HN       MET 100 105.940  14.643  -3.152
  849    HA   MET 100           HA       MET 100 105.341  15.308  -5.842
  850    HB2  MET 100           HB2      MET 100 107.666  15.957  -4.031
  851    HB3  MET 100           HB1      MET 100 107.560  16.561  -5.685
  852    HG2  MET 100           HG2      MET 100 105.396  17.611  -5.180
  853    HG3  MET 100           HG1      MET 100 105.465  16.984  -3.534
  854    HE1  MET 100           HE1      MET 100 106.058  20.602  -2.657
  855    HE2  MET 100           HE2      MET 100 105.510  19.050  -2.028
  856    HE3  MET 100           HE3      MET 100 104.831  19.673  -3.530
  857    H    ALA 101           HN       ALA 101 107.944  13.395  -4.365
  858    HA   ALA 101           HA       ALA 101 109.216  12.814  -6.875
  859    HB1  ALA 101           HB1      ALA 101 110.385  11.034  -5.413
  860    HB2  ALA 101           HB2      ALA 101 109.525  11.780  -4.065
  861    HB3  ALA 101           HB3      ALA 101 110.661  12.732  -5.021
  862    H    ALA 102           HN       ALA 102 106.520  11.561  -5.185
  863    HA   ALA 102           HA       ALA 102 106.661   8.861  -6.145
  864    HB1  ALA 102           HB1      ALA 102 105.373   9.144  -4.193
  865    HB2  ALA 102           HB2      ALA 102 104.174   8.903  -5.465
  866    HB3  ALA 102           HB3      ALA 102 104.505  10.527  -4.861
  867    H    VAL 103           HN       VAL 103 104.988  11.808  -7.175
  868    HA   VAL 103           HA       VAL 103 103.293  10.887  -9.117
  869    HB   VAL 103           HB       VAL 103 105.049  13.338  -9.062
  870   HG11  VAL 103          HG11      VAL 103 104.738  13.115 -11.374
  871   HG12  VAL 103          HG12      VAL 103 103.340  14.082 -10.901
  872   HG13  VAL 103          HG13      VAL 103 103.159  12.351 -11.185
  873   HG21  VAL 103          HG21      VAL 103 102.876  12.750  -7.592
  874   HG22  VAL 103          HG22      VAL 103 102.066  13.363  -9.035
  875   HG23  VAL 103          HG23      VAL 103 103.206  14.387  -8.161
  876    H    ALA 104           HN       ALA 104 106.799  11.134  -9.272
  877    HA   ALA 104           HA       ALA 104 107.208  10.771 -12.008
  878    HB1  ALA 104           HB1      ALA 104 108.873   9.672  -9.729
  879    HB2  ALA 104           HB2      ALA 104 109.012  11.295 -10.406
  880    HB3  ALA 104           HB3      ALA 104 109.411   9.890 -11.395
  881    H    GLN 105           HN       GLN 105 106.390   8.454  -9.497
  882    HA   GLN 105           HA       GLN 105 106.955   6.085 -10.929
  883    HB2  GLN 105           HB2      GLN 105 106.528   6.181  -8.481
  884    HB3  GLN 105           HB1      GLN 105 104.829   6.519  -8.818
  885    HG2  GLN 105           HG2      GLN 105 104.596   4.393  -9.989
  886    HG3  GLN 105           HG1      GLN 105 106.315   4.060  -9.785
  887   HE21  GLN 105          HE21      GLN 105 104.384   2.251  -8.746
  888   HE22  GLN 105          HE22      GLN 105 104.432   2.318  -7.050
  889    H    THR 106           HN       THR 106 103.989   8.021 -10.630
  890    HA   THR 106           HA       THR 106 102.370   6.329 -12.240
  891    HB   THR 106           HB       THR 106 100.900   8.360 -12.412
  892    HG1  THR 106           HG1      THR 106 102.195  10.066 -12.312
  893   HG21  THR 106          HG21      THR 106 100.525   6.899 -10.559
  894   HG22  THR 106          HG22      THR 106 100.570   8.530  -9.889
  895   HG23  THR 106          HG23      THR 106 101.971   7.472  -9.729
  896    H    GLU 107           HN       GLU 107 104.596   8.941 -12.948
  897    HA   GLU 107           HA       GLU 107 103.770   9.098 -15.736
  898    HB2  GLU 107           HB2      GLU 107 106.040  10.445 -14.250
  899    HB3  GLU 107           HB1      GLU 107 105.563  10.790 -15.913
  900    HG2  GLU 107           HG2      GLU 107 103.354  11.511 -15.175
  901    HG3  GLU 107           HG1      GLU 107 103.734  11.067 -13.512
  902    H    GLU 108           HN       GLU 108 105.146   8.607 -17.502
  903    HA   GLU 108           HA       GLU 108 106.651   6.197 -17.175
  904    HB2  GLU 108           HB2      GLU 108 106.303   8.061 -19.533
  905    HB3  GLU 108           HB1      GLU 108 107.166   6.524 -19.610
  906    HG2  GLU 108           HG2      GLU 108 105.163   5.312 -18.949
  907    HG3  GLU 108           HG1      GLU 108 104.289   6.823 -18.704
  908    H    ILE 109           HN       ILE 109 108.726   5.982 -16.653
  909    HA   ILE 109           HA       ILE 109 110.405   8.074 -15.926
  910    HB   ILE 109           HB       ILE 109 112.234   6.416 -16.023
  911   HG12  ILE 109          HG12      ILE 109 110.163   4.552 -17.218
  912   HG13  ILE 109          HG11      ILE 109 111.394   5.371 -18.179
  913   HG21  ILE 109          HG21      ILE 109 109.552   5.668 -14.880
  914   HG22  ILE 109          HG22      ILE 109 110.995   6.231 -14.038
  915   HG23  ILE 109          HG23      ILE 109 110.932   4.589 -14.679
  916   HD11  ILE 109          HD11      ILE 109 112.258   3.841 -15.754
  917   HD12  ILE 109          HD12      ILE 109 113.132   4.143 -17.255
  918   HD13  ILE 109          HD13      ILE 109 111.839   2.943 -17.213
  919    H    LEU 110           HN       LEU 110 109.683   6.816 -19.064
  920    HA   LEU 110           HA       LEU 110 111.998   7.675 -20.454
  921    HB2  LEU 110           HB2      LEU 110 109.151   7.298 -21.413
  922    HB3  LEU 110           HB1      LEU 110 110.542   7.549 -22.469
  923    HG   LEU 110           HG       LEU 110 110.317   5.292 -20.458
  924   HD11  LEU 110          HD11      LEU 110 108.658   4.986 -22.218
  925   HD12  LEU 110          HD12      LEU 110 109.995   3.868 -22.489
  926   HD13  LEU 110          HD13      LEU 110 109.864   5.337 -23.457
  927   HD21  LEU 110          HD21      LEU 110 112.163   4.503 -22.246
  928   HD22  LEU 110          HD22      LEU 110 112.586   5.456 -20.823
  929   HD23  LEU 110          HD23      LEU 110 112.383   6.247 -22.386
  930    H    LYS 111           HN       LYS 111 108.910   9.256 -19.726
  931    HA   LYS 111           HA       LYS 111 109.429  11.618 -21.227
  932    HB2  LYS 111           HB2      LYS 111 107.160  10.903 -20.502
  933    HB3  LYS 111           HB1      LYS 111 107.606  11.269 -18.835
  934    HG2  LYS 111           HG2      LYS 111 108.032  13.613 -19.447
  935    HG3  LYS 111           HG1      LYS 111 107.623  13.257 -21.126
  936    HD2  LYS 111           HD2      LYS 111 105.346  12.585 -20.421
  937    HD3  LYS 111           HD1      LYS 111 105.756  12.981 -18.751
  938    HE2  LYS 111           HE2      LYS 111 106.259  15.323 -19.486
  939    HE3  LYS 111           HE1      LYS 111 105.683  14.899 -21.099
  940    HZ1  LYS 111           HZ1      LYS 111 104.144  15.825 -19.071
  941    HZ2  LYS 111           HZ2      LYS 111 103.863  14.150 -19.010
  942    HZ3  LYS 111           HZ3      LYS 111 103.572  15.012 -20.446
  943    H    SER 112           HN       SER 112 110.012  10.671 -17.873
  944    HA   SER 112           HA       SER 112 110.677  13.143 -16.778
  945    HB2  SER 112           HB2      SER 112 111.894  11.906 -15.089
  946    HB3  SER 112           HB1      SER 112 110.440  11.003 -15.510
  947    HG   SER 112           HG       SER 112 112.130  10.114 -17.184
  948    H    ASN 113           HN       ASN 113 112.799  10.782 -18.394
  949    HA   ASN 113           HA       ASN 113 115.186  12.258 -18.172
  950    HB2  ASN 113           HB2      ASN 113 114.319  10.257 -20.271
  951    HB3  ASN 113           HB1      ASN 113 115.967  10.854 -20.075
  952   HD21  ASN 113          HD21      ASN 113 115.029   8.053 -19.701
  953   HD22  ASN 113          HD22      ASN 113 115.392   7.652 -18.092
  954    H    SER 114           HN       SER 114 112.729  12.162 -20.738
  955    HA   SER 114           HA       SER 114 113.303  14.877 -21.495
  956    HB2  SER 114           HB2      SER 114 113.903  14.303 -23.859
  957    HB3  SER 114           HB1      SER 114 115.138  13.857 -22.685
  958    HG   SER 114           HG       SER 114 114.931  11.959 -23.577
  959    H    GLN 115           HN       GLN 115 111.795  15.694 -23.062
  960    HA   GLN 115           HA       GLN 115 109.305  14.129 -23.104
  961    HB2  GLN 115           HB2      GLN 115 109.852  17.071 -23.555
  962    HB3  GLN 115           HB1      GLN 115 108.263  16.324 -23.722
  963    HG2  GLN 115           HG2      GLN 115 108.308  15.608 -21.391
  964    HG3  GLN 115           HG1      GLN 115 109.950  16.224 -21.204
  965   HE21  GLN 115          HE21      GLN 115 108.467  17.411 -19.399
  966   HE22  GLN 115          HE22      GLN 115 107.900  18.941 -19.871
  967    H    THR 116           HN       THR 116 111.852  14.246 -24.998
  968    HA   THR 116           HA       THR 116 111.009  15.087 -27.535
  969    HB   THR 116           HB       THR 116 112.746  13.496 -28.388
  970    HG1  THR 116           HG1      THR 116 112.306  11.992 -26.597
  971   HG21  THR 116          HG21      THR 116 113.122  15.614 -26.375
  972   HG22  THR 116          HG22      THR 116 113.878  15.415 -27.956
  973   HG23  THR 116          HG23      THR 116 114.507  14.537 -26.563
  974    H    ASP 117           HN       ASP 117 110.712  11.928 -25.938
  975    HA   ASP 117           HA       ASP 117 109.578  10.518 -28.087
  976    HB2  ASP 117           HB2      ASP 117 109.497  10.194 -25.104
  977    HB3  ASP 117           HB1      ASP 117 108.514   9.156 -26.135
  978    H    LEU 118           HN       LEU 118 108.021  12.286 -25.415
  979    HA   LEU 118           HA       LEU 118 105.574  12.436 -27.066
  980    HB2  LEU 118           HB2      LEU 118 105.764  11.938 -24.087
  981    HB3  LEU 118           HB1      LEU 118 104.266  12.297 -24.945
  982    HG   LEU 118           HG       LEU 118 106.089   9.990 -25.668
  983   HD11  LEU 118          HD11      LEU 118 103.886   8.817 -24.628
  984   HD12  LEU 118          HD12      LEU 118 103.949  10.265 -23.624
  985   HD13  LEU 118          HD13      LEU 118 105.326   9.164 -23.671
  986   HD21  LEU 118          HD21      LEU 118 103.625  11.176 -26.752
  987   HD22  LEU 118          HD22      LEU 118 103.510   9.437 -26.485
  988   HD23  LEU 118          HD23      LEU 118 104.779  10.087 -27.522
  989    H    GLU 119           HN       GLU 119 106.620  14.510 -27.678
  990    HA   GLU 119           HA       GLU 119 106.747  16.578 -25.644
  991    HB2  GLU 119           HB2      GLU 119 108.355  16.529 -27.529
  992    HB3  GLU 119           HB1      GLU 119 107.020  16.792 -28.652
  993    HG2  GLU 119           HG2      GLU 119 106.499  18.930 -27.591
  994    HG3  GLU 119           HG1      GLU 119 107.752  18.662 -26.381
  995    H    HIS 120           HN       HIS 120 104.638  16.796 -24.881
  996    HA   HIS 120           HA       HIS 120 102.340  17.048 -26.507
  997    HB2  HIS 120           HB2      HIS 120 102.973  17.891 -23.683
  998    HB3  HIS 120           HB1      HIS 120 101.403  18.212 -24.418
  999    HD1  HIS 120           HD1      HIS 120 103.660  15.353 -23.409
 1000    HD2  HIS 120           HD2      HIS 120  99.736  15.959 -24.679
 1001    HE1  HIS 120           HE1      HIS 120 102.460  13.143 -23.108
 1002    HE2  HIS 120           HE2      HIS 120 100.067  13.496 -23.878
 1003    H    HIS 121           HN       HIS 121 104.480  19.484 -25.044
 1004    HA   HIS 121           HA       HIS 121 103.120  21.571 -26.616
 1005    HB2  HIS 121           HB2      HIS 121 105.019  21.747 -24.267
 1006    HB3  HIS 121           HB1      HIS 121 104.387  23.144 -25.140
 1007    HD1  HIS 121           HD1      HIS 121 101.790  23.577 -24.982
 1008    HD2  HIS 121           HD2      HIS 121 103.189  20.535 -22.497
 1009    HE1  HIS 121           HE1      HIS 121  99.936  23.095 -23.324
 1010    HE2  HIS 121           HE2      HIS 121 100.774  21.244 -21.802
 1011    H    HIS 122           HN       HIS 122 104.024  22.195 -28.460
 1012    HA   HIS 122           HA       HIS 122 106.495  21.282 -29.426
 1013    HB2  HIS 122           HB2      HIS 122 104.723  23.589 -30.220
 1014    HB3  HIS 122           HB1      HIS 122 106.225  23.229 -31.071
 1015    HD1  HIS 122           HD1      HIS 122 103.029  21.424 -30.028
 1016    HD2  HIS 122           HD2      HIS 122 105.935  21.283 -33.014
 1017    HE1  HIS 122           HE1      HIS 122 102.275  19.657 -31.678
 1018    HE2  HIS 122           HE2      HIS 122 104.036  19.558 -33.505
 1019    H    HIS 123           HN       HIS 123 105.610  24.403 -27.964
 1020    HA   HIS 123           HA       HIS 123 108.496  24.931 -27.573
 1021    HB2  HIS 123           HB2      HIS 123 106.243  26.918 -27.952
 1022    HB3  HIS 123           HB1      HIS 123 107.924  27.335 -27.618
 1023    HD1  HIS 123           HD1      HIS 123 109.561  27.276 -29.560
 1024    HD2  HIS 123           HD2      HIS 123 105.847  25.666 -30.556
 1025    HE1  HIS 123           HE1      HIS 123 109.592  26.898 -32.064
 1026    HE2  HIS 123           HE2      HIS 123 107.334  25.917 -32.687
 1027    H    HIS 124           HN       HIS 124 109.182  25.580 -25.567
 1028    HA   HIS 124           HA       HIS 124 107.629  24.806 -23.322
 1029    HB2  HIS 124           HB2      HIS 124 110.211  26.338 -23.615
 1030    HB3  HIS 124           HB1      HIS 124 109.492  26.003 -22.039
 1031    HD1  HIS 124           HD1      HIS 124 110.878  24.217 -25.081
 1032    HD2  HIS 124           HD2      HIS 124 109.825  23.370 -21.137
 1033    HE1  HIS 124           HE1      HIS 124 111.677  21.859 -24.617
 1034    HE2  HIS 124           HE2      HIS 124 111.043  21.327 -22.216
 1035    H    HIS 125           HN       HIS 125 108.468  27.973 -24.691
 1036    HA   HIS 125           HA       HIS 125 106.113  29.128 -23.410
 1037    HB2  HIS 125           HB2      HIS 125 108.069  29.369 -21.807
 1038    HB3  HIS 125           HB1      HIS 125 108.813  30.422 -23.011
 1039    HD1  HIS 125           HD1      HIS 125 108.009  32.811 -23.111
 1040    HD2  HIS 125           HD2      HIS 125 105.491  30.401 -20.826
 1041    HE1  HIS 125           HE1      HIS 125 106.328  34.361 -22.023
 1042    HE2  HIS 125           HE2      HIS 125 104.785  32.907 -20.626
  Start of MODEL    5
    1    H21  MYR   1          1H2       MYR   1 118.251   8.473   0.995
    2    H22  MYR   1          2H2       MYR   1 117.697   9.009   2.428
    3    H31  MYR   1          1H3       MYR   1 115.839   9.879   0.747
    4    H32  MYR   1          2H3       MYR   1 116.220   8.428   0.118
    5    H41  MYR   1          1H4       MYR   1 115.649   7.338   2.081
    6    H42  MYR   1          2H4       MYR   1 115.505   8.743   2.890
    7    H51  MYR   1          1H5       MYR   1 113.534   9.262   1.856
    8    H52  MYR   1          2H5       MYR   1 113.766   8.167   0.675
    9    H61  MYR   1          1H6       MYR   1 112.639   6.701   1.804
   10    H62  MYR   1          2H6       MYR   1 113.738   6.779   3.004
   11    H71  MYR   1          1H7       MYR   1 112.400   8.741   3.785
   12    H72  MYR   1          2H7       MYR   1 111.221   8.117   2.850
   13    H81  MYR   1          1H8       MYR   1 112.346   6.936   5.207
   14    H82  MYR   1          2H8       MYR   1 110.796   7.383   4.981
   15    H91  MYR   1          1H9       MYR   1 111.559   5.394   3.185
   16    H92  MYR   1          2H9       MYR   1 111.710   4.900   4.729
   17   H101  MYR   1          1H10      MYR   1 109.404   5.507   5.097
   18   H102  MYR   1          2H10      MYR   1 109.269   5.838   3.508
   19   H111  MYR   1          1H11      MYR   1 109.648   3.569   2.966
   20   H112  MYR   1          2H11      MYR   1 109.895   3.204   4.532
   21   H121  MYR   1          1H12      MYR   1 107.728   3.177   5.002
   22   H122  MYR   1          2H12      MYR   1 107.387   4.395   3.977
   23   H131  MYR   1          1H13      MYR   1 107.333   2.971   2.157
   24   H132  MYR   1          2H13      MYR   1 107.995   1.749   3.004
   25   H141  MYR   1          1H14      MYR   1 105.831   1.135   2.989
   26   H142  MYR   1          2H14      MYR   1 105.918   1.928   4.414
   27   H143  MYR   1          3H14      MYR   1 105.296   2.675   3.102
   28    H    GLY   2           HN       GLY   2 119.966   9.566   1.244
   29    HA2  GLY   2           HA2      GLY   2 121.157  11.280   2.235
   30    HA3  GLY   2           HA1      GLY   2 119.853  12.376   1.789
   31    H    GLN   3           HN       GLN   3 119.477  13.442   3.666
   32    HA   GLN   3           HA       GLN   3 119.564  12.267   6.247
   33    HB2  GLN   3           HB2      GLN   3 118.308  14.817   5.220
   34    HB3  GLN   3           HB1      GLN   3 118.333  14.370   6.925
   35    HG2  GLN   3           HG2      GLN   3 120.772  14.286   6.909
   36    HG3  GLN   3           HG1      GLN   3 120.797  14.620   5.178
   37   HE21  GLN   3          HE21      GLN   3 122.208  16.506   6.248
   38   HE22  GLN   3          HE22      GLN   3 121.348  17.927   6.597
   39    H    GLU   4           HN       GLU   4 116.998  12.731   3.889
   40    HA   GLU   4           HA       GLU   4 114.696  12.412   5.299
   41    HB2  GLU   4           HB2      GLU   4 115.491  11.112   2.689
   42    HB3  GLU   4           HB1      GLU   4 113.848  11.067   3.332
   43    HG2  GLU   4           HG2      GLU   4 113.789  13.531   3.374
   44    HG3  GLU   4           HG1      GLU   4 115.433  13.583   2.738
   45    H    LEU   5           HN       LEU   5 117.256  10.119   5.001
   46    HA   LEU   5           HA       LEU   5 116.088   7.669   5.388
   47    HB2  LEU   5           HB2      LEU   5 118.552   8.137   5.224
   48    HB3  LEU   5           HB1      LEU   5 118.513   8.633   6.916
   49    HG   LEU   5           HG       LEU   5 117.534   6.381   7.476
   50   HD11  LEU   5          HD11      LEU   5 116.617   5.446   5.578
   51   HD12  LEU   5          HD12      LEU   5 118.214   4.702   5.500
   52   HD13  LEU   5          HD13      LEU   5 117.854   6.123   4.520
   53   HD21  LEU   5          HD21      LEU   5 120.262   6.739   6.260
   54   HD22  LEU   5          HD22      LEU   5 119.768   5.148   6.840
   55   HD23  LEU   5          HD23      LEU   5 119.822   6.515   7.953
   56    H    SER   6           HN       SER   6 116.448  10.279   7.715
   57    HA   SER   6           HA       SER   6 115.870   8.920  10.084
   58    HB2  SER   6           HB2      SER   6 115.100  11.106  10.934
   59    HB3  SER   6           HB1      SER   6 116.612  11.253  10.041
   60    HG   SER   6           HG       SER   6 115.409  11.938   8.246
   61    H    GLN   7           HN       GLN   7 113.741  10.091   7.540
   62    HA   GLN   7           HA       GLN   7 111.273   9.869   8.839
   63    HB2  GLN   7           HB2      GLN   7 112.015   9.425   5.941
   64    HB3  GLN   7           HB1      GLN   7 110.353   9.499   6.529
   65    HG2  GLN   7           HG2      GLN   7 110.771  11.760   7.426
   66    HG3  GLN   7           HG1      GLN   7 112.429  11.689   6.830
   67   HE21  GLN   7          HE21      GLN   7 112.463  13.119   5.071
   68   HE22  GLN   7          HE22      GLN   7 111.352  13.084   3.788
   69    H    HIS   8           HN       HIS   8 113.194   7.428   7.129
   70    HA   HIS   8           HA       HIS   8 111.348   5.315   7.235
   71    HB2  HIS   8           HB2      HIS   8 113.444   5.299   5.896
   72    HB3  HIS   8           HB1      HIS   8 114.365   5.126   7.391
   73    HD1  HIS   8           HD1      HIS   8 111.555   3.326   5.539
   74    HD2  HIS   8           HD2      HIS   8 114.664   2.495   8.190
   75    HE1  HIS   8           HE1      HIS   8 111.590   0.811   5.838
   76    HE2  HIS   8           HE2      HIS   8 113.480   0.288   7.450
   77    H    GLU   9           HN       GLU   9 113.990   6.145   9.484
   78    HA   GLU   9           HA       GLU   9 113.687   4.138  11.350
   79    HB2  GLU   9           HB2      GLU   9 114.348   7.058  11.780
   80    HB3  GLU   9           HB1      GLU   9 114.518   5.818  13.022
   81    HG2  GLU   9           HG2      GLU   9 116.091   4.579  11.625
   82    HG3  GLU   9           HG1      GLU   9 115.870   5.734  10.311
   83    H    ARG  10           HN       ARG  10 111.726   7.023  10.888
   84    HA   ARG  10           HA       ARG  10 110.177   6.639  13.287
   85    HB2  ARG  10           HB2      ARG  10 109.616   8.344  10.849
   86    HB3  ARG  10           HB1      ARG  10 108.771   8.441  12.393
   87    HG2  ARG  10           HG2      ARG  10 110.862   9.045  13.526
   88    HG3  ARG  10           HG1      ARG  10 111.743   8.899  12.005
   89    HD2  ARG  10           HD2      ARG  10 110.390  10.704  11.032
   90    HD3  ARG  10           HD1      ARG  10 109.470  10.836  12.528
   91    HE   ARG  10           HE       ARG  10 112.141  11.161  13.228
   92   HH11  ARG  10          HH11      ARG  10 113.045  13.236  13.426
   93   HH12  ARG  10          HH12      ARG  10 112.320  14.573  12.599
   94   HH21  ARG  10          HH21      ARG  10 109.796  12.667  11.177
   95   HH22  ARG  10          HH22      ARG  10 110.481  14.251  11.325
   96    H    TYR  11           HN       TYR  11 109.505   6.267   9.802
   97    HA   TYR  11           HA       TYR  11 106.932   5.279   9.920
   98    HB2  TYR  11           HB2      TYR  11 108.211   5.780   7.830
   99    HB3  TYR  11           HB1      TYR  11 109.095   4.271   8.058
  100    HD1  TYR  11           HD1      TYR  11 108.141   2.178   7.458
  101    HD2  TYR  11           HD2      TYR  11 105.689   5.704   7.582
  102    HE1  TYR  11           HE1      TYR  11 106.288   0.928   6.384
  103    HE2  TYR  11           HE2      TYR  11 103.836   4.452   6.508
  104    HH   TYR  11           HH       TYR  11 103.329   2.549   5.357
  105    H    VAL  12           HN       VAL  12 109.977   3.494  10.298
  106    HA   VAL  12           HA       VAL  12 108.892   0.907  10.435
  107    HB   VAL  12           HB       VAL  12 111.416   2.178  11.436
  108   HG11  VAL  12          HG11      VAL  12 112.046  -0.265  12.058
  109   HG12  VAL  12          HG12      VAL  12 110.304  -0.528  12.161
  110   HG13  VAL  12          HG13      VAL  12 111.080   0.660  13.208
  111   HG21  VAL  12          HG21      VAL  12 110.885   1.356   9.021
  112   HG22  VAL  12          HG22      VAL  12 111.073  -0.262   9.697
  113   HG23  VAL  12          HG23      VAL  12 112.419   0.877   9.746
  114    H    GLU  13           HN       GLU  13 109.896   3.027  13.131
  115    HA   GLU  13           HA       GLU  13 108.774   1.374  15.150
  116    HB2  GLU  13           HB2      GLU  13 109.557   4.296  15.151
  117    HB3  GLU  13           HB1      GLU  13 109.053   3.412  16.592
  118    HG2  GLU  13           HG2      GLU  13 110.890   1.818  16.288
  119    HG3  GLU  13           HG1      GLU  13 111.379   2.639  14.806
  120    H    GLN  14           HN       GLN  14 107.600   4.277  13.477
  121    HA   GLN  14           HA       GLN  14 105.220   4.586  14.972
  122    HB2  GLN  14           HB2      GLN  14 106.171   6.349  13.517
  123    HB3  GLN  14           HB1      GLN  14 105.755   5.384  12.100
  124    HG2  GLN  14           HG2      GLN  14 104.011   7.055  12.503
  125    HG3  GLN  14           HG1      GLN  14 103.370   5.439  12.790
  126   HE21  GLN  14          HE21      GLN  14 101.793   6.021  14.385
  127   HE22  GLN  14          HE22      GLN  14 102.215   6.664  15.898
  128    H    LEU  15           HN       LEU  15 105.200   3.744  11.528
  129    HA   LEU  15           HA       LEU  15 102.795   2.648  11.197
  130    HB2  LEU  15           HB2      LEU  15 104.997   2.591   9.683
  131    HB3  LEU  15           HB1      LEU  15 104.999   0.907  10.208
  132    HG   LEU  15           HG       LEU  15 103.724   1.079   8.143
  133   HD11  LEU  15          HD11      LEU  15 101.641   0.899  10.313
  134   HD12  LEU  15          HD12      LEU  15 102.910  -0.320  10.182
  135   HD13  LEU  15          HD13      LEU  15 101.790  -0.065   8.844
  136   HD21  LEU  15          HD21      LEU  15 103.036   3.597   9.111
  137   HD22  LEU  15          HD22      LEU  15 101.526   2.690   9.207
  138   HD23  LEU  15          HD23      LEU  15 102.373   2.832   7.667
  139    H    LYS  16           HN       LYS  16 105.500   0.962  12.760
  140    HA   LYS  16           HA       LYS  16 104.162  -1.488  13.209
  141    HB2  LYS  16           HB2      LYS  16 106.535  -0.132  14.453
  142    HB3  LYS  16           HB1      LYS  16 105.900  -1.625  15.146
  143    HG2  LYS  16           HG2      LYS  16 106.128  -2.743  12.959
  144    HG3  LYS  16           HG1      LYS  16 106.764  -1.252  12.263
  145    HD2  LYS  16           HD2      LYS  16 108.686  -1.316  13.751
  146    HD3  LYS  16           HD1      LYS  16 108.026  -2.714  14.599
  147    HE2  LYS  16           HE2      LYS  16 108.004  -3.794  12.196
  148    HE3  LYS  16           HE1      LYS  16 109.214  -2.559  11.848
  149    HZ1  LYS  16           HZ1      LYS  16 109.355  -4.835  13.687
  150    HZ2  LYS  16           HZ2      LYS  16 110.210  -3.423  14.088
  151    HZ3  LYS  16           HZ3      LYS  16 110.531  -4.228  12.627
  152    H    GLN  17           HN       GLN  17 104.503   1.434  15.198
  153    HA   GLN  17           HA       GLN  17 103.161   0.505  17.486
  154    HB2  GLN  17           HB2      GLN  17 103.631   3.226  16.305
  155    HB3  GLN  17           HB1      GLN  17 102.604   3.040  17.727
  156    HG2  GLN  17           HG2      GLN  17 104.397   1.987  18.964
  157    HG3  GLN  17           HG1      GLN  17 105.419   1.938  17.528
  158   HE21  GLN  17          HE21      GLN  17 106.760   3.219  19.374
  159   HE22  GLN  17          HE22      GLN  17 106.625   4.908  19.281
  160    H    ALA  18           HN       ALA  18 101.866   2.555  14.858
  161    HA   ALA  18           HA       ALA  18  99.188   2.500  15.579
  162    HB1  ALA  18           HB1      ALA  18  99.341   3.896  13.809
  163    HB2  ALA  18           HB2      ALA  18  99.067   2.449  12.838
  164    HB3  ALA  18           HB3      ALA  18 100.710   3.022  13.123
  165    H    LEU  19           HN       LEU  19 101.155  -0.065  14.470
  166    HA   LEU  19           HA       LEU  19  98.904  -1.687  13.554
  167    HB2  LEU  19           HB2      LEU  19 101.838  -1.813  13.367
  168    HB3  LEU  19           HB1      LEU  19 101.056  -3.372  13.627
  169    HG   LEU  19           HG       LEU  19 100.217  -1.397  11.488
  170   HD11  LEU  19          HD11      LEU  19 101.752  -3.978  11.107
  171   HD12  LEU  19          HD12      LEU  19 102.547  -2.407  11.223
  172   HD13  LEU  19          HD13      LEU  19 101.420  -2.730   9.905
  173   HD21  LEU  19          HD21      LEU  19  99.057  -3.792  12.600
  174   HD22  LEU  19          HD22      LEU  19  99.493  -4.080  10.914
  175   HD23  LEU  19          HD23      LEU  19  98.418  -2.746  11.332
  176    H    LYS  20           HN       LYS  20 101.395  -1.801  16.101
  177    HA   LYS  20           HA       LYS  20 100.827  -4.054  17.466
  178    HB2  LYS  20           HB2      LYS  20 102.476  -2.385  18.221
  179    HB3  LYS  20           HB1      LYS  20 101.163  -1.332  18.750
  180    HG2  LYS  20           HG2      LYS  20 100.410  -3.001  20.356
  181    HG3  LYS  20           HG1      LYS  20 101.615  -4.150  19.774
  182    HD2  LYS  20           HD2      LYS  20 103.414  -2.578  20.458
  183    HD3  LYS  20           HD1      LYS  20 102.189  -1.484  21.101
  184    HE2  LYS  20           HE2      LYS  20 102.670  -4.335  22.017
  185    HE3  LYS  20           HE1      LYS  20 103.123  -2.877  22.900
  186    HZ1  LYS  20           HZ1      LYS  20 101.098  -2.815  23.754
  187    HZ2  LYS  20           HZ2      LYS  20 100.655  -4.204  22.882
  188    HZ3  LYS  20           HZ3      LYS  20 100.428  -2.664  22.203
  189    H    THR  21           HN       THR  21  98.905  -1.073  17.590
  190    HA   THR  21           HA       THR  21  97.067  -1.807  19.555
  191    HB   THR  21           HB       THR  21  96.851   0.407  18.918
  192    HG1  THR  21           HG1      THR  21  94.897   0.143  17.234
  193   HG21  THR  21          HG21      THR  21  97.380  -0.687  16.198
  194   HG22  THR  21          HG22      THR  21  98.077   0.722  16.998
  195   HG23  THR  21          HG23      THR  21  96.459   0.814  16.300
  196    H    ARG  22           HN       ARG  22  97.153  -2.576  16.109
  197    HA   ARG  22           HA       ARG  22  94.581  -3.799  15.999
  198    HB2  ARG  22           HB2      ARG  22  97.027  -4.084  14.242
  199    HB3  ARG  22           HB1      ARG  22  95.463  -4.814  13.878
  200    HG2  ARG  22           HG2      ARG  22  95.582  -1.885  14.508
  201    HG3  ARG  22           HG1      ARG  22  96.067  -2.435  12.904
  202    HD2  ARG  22           HD2      ARG  22  93.893  -3.626  12.689
  203    HD3  ARG  22           HD1      ARG  22  93.409  -2.983  14.254
  204    HE   ARG  22           HE       ARG  22  93.578  -1.509  11.747
  205   HH11  ARG  22          HH11      ARG  22  92.733   0.598  11.836
  206   HH12  ARG  22          HH12      ARG  22  92.367   1.315  13.370
  207   HH21  ARG  22          HH21      ARG  22  93.373  -1.453  15.201
  208   HH22  ARG  22          HH22      ARG  22  92.729   0.154  15.275
  209    H    GLY  23           HN       GLY  23  97.444  -4.734  17.493
  210    HA2  GLY  23           HA2      GLY  23  97.384  -6.682  18.938
  211    HA3  GLY  23           HA1      GLY  23  96.473  -7.519  17.685
  212    H    VAL  24           HN       VAL  24  99.228  -5.496  16.946
  213    HA   VAL  24           HA       VAL  24 100.681  -7.897  16.040
  214    HB   VAL  24           HB       VAL  24 101.315  -5.050  15.281
  215   HG11  VAL  24          HG11      VAL  24 102.117  -6.323  13.208
  216   HG12  VAL  24          HG12      VAL  24 101.891  -7.795  14.151
  217   HG13  VAL  24          HG13      VAL  24 103.048  -6.576  14.683
  218   HG21  VAL  24          HG21      VAL  24  99.974  -5.860  13.137
  219   HG22  VAL  24          HG22      VAL  24  99.127  -5.124  14.499
  220   HG23  VAL  24          HG23      VAL  24  99.144  -6.878  14.314
  221    H    LYS  25           HN       LYS  25 103.129  -7.638  16.127
  222    HA   LYS  25           HA       LYS  25 103.876  -6.520  18.760
  223    HB2  LYS  25           HB2      LYS  25 105.122  -8.811  17.220
  224    HB3  LYS  25           HB1      LYS  25 105.670  -8.210  18.786
  225    HG2  LYS  25           HG2      LYS  25 102.799  -9.025  18.436
  226    HG3  LYS  25           HG1      LYS  25 104.031 -10.262  18.694
  227    HD2  LYS  25           HD2      LYS  25 104.778  -9.037  20.736
  228    HD3  LYS  25           HD1      LYS  25 103.452  -7.896  20.501
  229    HE2  LYS  25           HE2      LYS  25 101.824  -9.735  20.679
  230    HE3  LYS  25           HE1      LYS  25 103.141 -10.888  20.892
  231    HZ1  LYS  25           HZ1      LYS  25 101.875  -9.653  22.902
  232    HZ2  LYS  25           HZ2      LYS  25 103.206  -8.619  22.683
  233    HZ3  LYS  25           HZ3      LYS  25 103.451 -10.270  23.007
  234    H    VAL  26           HN       VAL  26 105.826  -5.392  18.960
  235    HA   VAL  26           HA       VAL  26 107.025  -4.514  16.402
  236    HB   VAL  26           HB       VAL  26 107.211  -2.311  17.219
  237   HG11  VAL  26          HG11      VAL  26 104.941  -1.696  17.761
  238   HG12  VAL  26          HG12      VAL  26 104.601  -3.306  18.397
  239   HG13  VAL  26          HG13      VAL  26 104.864  -3.078  16.668
  240   HG21  VAL  26          HG21      VAL  26 106.491  -1.873  19.679
  241   HG22  VAL  26          HG22      VAL  26 108.084  -2.575  19.399
  242   HG23  VAL  26          HG23      VAL  26 106.744  -3.603  19.906
  243    H    LYS  27           HN       LYS  27 107.698  -6.601  18.586
  244    HA   LYS  27           HA       LYS  27 109.966  -5.891  20.017
  245    HB2  LYS  27           HB2      LYS  27 110.617  -8.341  19.716
  246    HB3  LYS  27           HB1      LYS  27 109.027  -8.037  20.415
  247    HG2  LYS  27           HG2      LYS  27 107.940  -8.433  18.295
  248    HG3  LYS  27           HG1      LYS  27 109.493  -8.519  17.461
  249    HD2  LYS  27           HD2      LYS  27 110.077 -10.562  18.571
  250    HD3  LYS  27           HD1      LYS  27 108.726 -10.410  19.696
  251    HE2  LYS  27           HE2      LYS  27 108.113 -12.030  17.999
  252    HE3  LYS  27           HE1      LYS  27 107.161 -10.569  17.736
  253    HZ1  LYS  27           HZ1      LYS  27 109.278 -10.012  16.255
  254    HZ2  LYS  27           HZ2      LYS  27 107.925 -10.841  15.647
  255    HZ3  LYS  27           HZ3      LYS  27 109.307 -11.704  16.129
  256    H    TYR  28           HN       TYR  28 112.240  -6.535  19.566
  257    HA   TYR  28           HA       TYR  28 113.232  -5.259  17.263
  258    HB2  TYR  28           HB2      TYR  28 114.534  -7.226  19.157
  259    HB3  TYR  28           HB1      TYR  28 115.406  -6.349  17.900
  260    HD1  TYR  28           HD1      TYR  28 113.796  -6.128  21.168
  261    HD2  TYR  28           HD2      TYR  28 115.548  -3.862  17.967
  262    HE1  TYR  28           HE1      TYR  28 113.970  -4.155  22.661
  263    HE2  TYR  28           HE2      TYR  28 115.724  -1.889  19.459
  264    HH   TYR  28           HH       TYR  28 115.694  -1.940  22.582
  265    H    ALA  29           HN       ALA  29 112.462  -8.626  17.934
  266    HA   ALA  29           HA       ALA  29 113.753  -9.836  15.758
  267    HB1  ALA  29           HB1      ALA  29 112.671 -11.724  16.416
  268    HB2  ALA  29           HB2      ALA  29 111.103 -10.921  16.495
  269    HB3  ALA  29           HB3      ALA  29 112.250 -10.749  17.824
  270    H    ASP  30           HN       ASP  30 110.961  -7.815  15.890
  271    HA   ASP  30           HA       ASP  30 109.725  -8.699  13.465
  272    HB2  ASP  30           HB2      ASP  30 109.482  -6.114  15.018
  273    HB3  ASP  30           HB1      ASP  30 108.474  -6.542  13.636
  274    H    LEU  31           HN       LEU  31 111.962  -6.075  14.305
  275    HA   LEU  31           HA       LEU  31 112.019  -4.816  11.786
  276    HB2  LEU  31           HB2      LEU  31 113.947  -4.936  14.092
  277    HB3  LEU  31           HB1      LEU  31 114.365  -4.085  12.604
  278    HG   LEU  31           HG       LEU  31 111.931  -3.045  12.957
  279   HD11  LEU  31          HD11      LEU  31 111.619  -4.483  15.025
  280   HD12  LEU  31          HD12      LEU  31 111.371  -2.754  15.279
  281   HD13  LEU  31          HD13      LEU  31 112.876  -3.514  15.796
  282   HD21  LEU  31          HD21      LEU  31 114.395  -2.170  14.500
  283   HD22  LEU  31          HD22      LEU  31 113.028  -1.140  14.080
  284   HD23  LEU  31          HD23      LEU  31 114.062  -1.793  12.809
  285    H    LEU  32           HN       LEU  32 114.001  -7.425  13.151
  286    HA   LEU  32           HA       LEU  32 115.946  -7.683  11.220
  287    HB2  LEU  32           HB2      LEU  32 114.507 -10.009  12.513
  288    HB3  LEU  32           HB1      LEU  32 116.156  -9.991  11.889
  289    HG   LEU  32           HG       LEU  32 115.135  -8.294  14.185
  290   HD11  LEU  32          HD11      LEU  32 117.210 -10.465  14.374
  291   HD12  LEU  32          HD12      LEU  32 115.496 -10.874  14.455
  292   HD13  LEU  32          HD13      LEU  32 116.200  -9.783  15.649
  293   HD21  LEU  32          HD21      LEU  32 116.885  -7.023  13.378
  294   HD22  LEU  32          HD22      LEU  32 117.678  -8.406  12.622
  295   HD23  LEU  32          HD23      LEU  32 117.807  -8.160  14.364
  296    H    LYS  33           HN       LYS  33 112.988  -9.687  11.250
  297    HA   LYS  33           HA       LYS  33 113.361 -10.536   8.553
  298    HB2  LYS  33           HB2      LYS  33 112.138 -11.861  10.267
  299    HB3  LYS  33           HB1      LYS  33 110.850 -10.655  10.241
  300    HG2  LYS  33           HG2      LYS  33 110.419 -11.095   7.887
  301    HG3  LYS  33           HG1      LYS  33 111.793 -12.198   7.808
  302    HD2  LYS  33           HD2      LYS  33 110.702 -13.668   9.473
  303    HD3  LYS  33           HD1      LYS  33 109.318 -12.575   9.520
  304    HE2  LYS  33           HE2      LYS  33 108.888 -12.973   7.142
  305    HE3  LYS  33           HE1      LYS  33 110.311 -14.010   7.040
  306    HZ1  LYS  33           HZ1      LYS  33 107.747 -14.505   8.394
  307    HZ2  LYS  33           HZ2      LYS  33 109.155 -15.275   8.954
  308    HZ3  LYS  33           HZ3      LYS  33 108.627 -15.520   7.358
  309    H    PHE  34           HN       PHE  34 111.107  -8.246  10.091
  310    HA   PHE  34           HA       PHE  34 109.621  -7.601   7.808
  311    HB2  PHE  34           HB2      PHE  34 109.034  -6.984  10.167
  312    HB3  PHE  34           HB1      PHE  34 110.278  -5.736  10.097
  313    HD1  PHE  34           HD1      PHE  34 109.696  -3.602   9.349
  314    HD2  PHE  34           HD2      PHE  34 107.310  -6.970   8.161
  315    HE1  PHE  34           HE1      PHE  34 108.102  -2.075   8.220
  316    HE2  PHE  34           HE2      PHE  34 105.716  -5.442   7.032
  317    HZ   PHE  34           HZ       PHE  34 106.111  -2.995   7.062
  318    H    PHE  35           HN       PHE  35 112.599  -6.173   9.098
  319    HA   PHE  35           HA       PHE  35 112.701  -4.045   7.193
  320    HB2  PHE  35           HB2      PHE  35 113.857  -4.127   9.464
  321    HB3  PHE  35           HB1      PHE  35 115.048  -5.186   8.709
  322    HD1  PHE  35           HD1      PHE  35 114.005  -1.787   9.214
  323    HD2  PHE  35           HD2      PHE  35 116.213  -4.352   6.568
  324    HE1  PHE  35           HE1      PHE  35 115.163   0.190   8.264
  325    HE2  PHE  35           HE2      PHE  35 117.371  -2.375   5.618
  326    HZ   PHE  35           HZ       PHE  35 116.846  -0.105   6.465
  327    H    ASP  36           HN       ASP  36 114.387  -7.169   7.475
  328    HA   ASP  36           HA       ASP  36 115.773  -6.833   4.972
  329    HB2  ASP  36           HB2      ASP  36 115.413  -9.188   6.831
  330    HB3  ASP  36           HB1      ASP  36 116.351  -9.270   5.341
  331    H    PHE  37           HN       PHE  37 112.673  -7.947   5.936
  332    HA   PHE  37           HA       PHE  37 112.143  -9.838   3.905
  333    HB2  PHE  37           HB2      PHE  37 110.576  -9.885   5.619
  334    HB3  PHE  37           HB1      PHE  37 110.451  -8.127   5.691
  335    HD1  PHE  37           HD1      PHE  37 110.094 -10.709   2.983
  336    HD2  PHE  37           HD2      PHE  37 108.367  -7.345   5.021
  337    HE1  PHE  37           HE1      PHE  37 108.143 -10.782   1.452
  338    HE2  PHE  37           HE2      PHE  37 106.417  -7.418   3.491
  339    HZ   PHE  37           HZ       PHE  37 106.305  -9.137   1.707
  340    H    VAL  38           HN       VAL  38 111.355  -6.363   4.103
  341    HA   VAL  38           HA       VAL  38 110.354  -6.273   1.410
  342    HB   VAL  38           HB       VAL  38 110.528  -3.737   1.855
  343   HG11  VAL  38          HG11      VAL  38 108.531  -3.807   3.276
  344   HG12  VAL  38          HG12      VAL  38 108.894  -5.472   3.732
  345   HG13  VAL  38          HG13      VAL  38 108.455  -5.090   2.067
  346   HG21  VAL  38          HG21      VAL  38 110.584  -4.268   4.738
  347   HG22  VAL  38          HG22      VAL  38 111.409  -3.012   3.815
  348   HG23  VAL  38          HG23      VAL  38 112.121  -4.619   3.949
  349    H    LYS  39           HN       LYS  39 113.395  -5.469   3.010
  350    HA   LYS  39           HA       LYS  39 114.633  -4.093   0.896
  351    HB2  LYS  39           HB2      LYS  39 115.492  -4.197   3.235
  352    HB3  LYS  39           HB1      LYS  39 115.970  -5.871   2.948
  353    HG2  LYS  39           HG2      LYS  39 117.440  -5.157   1.114
  354    HG3  LYS  39           HG1      LYS  39 116.939  -3.482   1.349
  355    HD2  LYS  39           HD2      LYS  39 117.862  -3.504   3.624
  356    HD3  LYS  39           HD1      LYS  39 118.328  -5.194   3.432
  357    HE2  LYS  39           HE2      LYS  39 120.315  -4.033   2.936
  358    HE3  LYS  39           HE1      LYS  39 119.635  -4.365   1.343
  359    HZ1  LYS  39           HZ1      LYS  39 119.509  -1.831   2.873
  360    HZ2  LYS  39           HZ2      LYS  39 118.555  -2.130   1.499
  361    HZ3  LYS  39           HZ3      LYS  39 120.249  -2.101   1.372
  362    H    ASP  40           HN       ASP  40 114.410  -7.544   1.630
  363    HA   ASP  40           HA       ASP  40 116.227  -8.722   0.014
  364    HB2  ASP  40           HB2      ASP  40 113.317  -9.437   0.384
  365    HB3  ASP  40           HB1      ASP  40 114.450 -10.470  -0.486
  366    H    THR  41           HN       THR  41 113.047  -7.560  -1.113
  367    HA   THR  41           HA       THR  41 114.130  -7.552  -3.866
  368    HB   THR  41           HB       THR  41 111.667  -7.588  -4.520
  369    HG1  THR  41           HG1      THR  41 110.453  -7.261  -2.833
  370   HG21  THR  41          HG21      THR  41 111.486 -10.036  -4.108
  371   HG22  THR  41          HG22      THR  41 112.844  -9.924  -2.989
  372   HG23  THR  41          HG23      THR  41 113.080  -9.573  -4.701
  373    H    CYS  42           HN       CYS  42 113.378  -5.576  -1.318
  374    HA   CYS  42           HA       CYS  42 112.625  -3.377  -1.123
  375    HB2  CYS  42           HB2      CYS  42 114.056  -1.877  -2.586
  376    HB3  CYS  42           HB1      CYS  42 114.942  -3.035  -1.594
  377    HG   CYS  42           HG       CYS  42 114.615  -4.495  -4.061
  378    HA   PRO  43           HA       PRO  43 109.890  -3.518  -4.913
  379    HB2  PRO  43           HB2      PRO  43 107.553  -4.231  -3.707
  380    HB3  PRO  43           HB1      PRO  43 108.735  -5.416  -4.296
  381    HG2  PRO  43           HG2      PRO  43 108.180  -4.512  -1.530
  382    HG3  PRO  43           HG1      PRO  43 108.695  -6.100  -2.123
  383    HD2  PRO  43           HD2      PRO  43 110.388  -4.209  -0.928
  384    HD3  PRO  43           HD1      PRO  43 110.914  -5.579  -1.928
  385    H    TRP  44           HN       TRP  44 109.247  -2.333  -1.639
  386    HA   TRP  44           HA       TRP  44 107.390  -0.304  -2.502
  387    HB2  TRP  44           HB2      TRP  44 108.505  -1.270   0.047
  388    HB3  TRP  44           HB1      TRP  44 108.179   0.463   0.002
  389    HD1  TRP  44           HD1      TRP  44 105.625   0.819  -1.498
  390    HE1  TRP  44           HE1      TRP  44 103.392  -0.241  -0.766
  391    HE3  TRP  44           HE3      TRP  44 107.372  -2.990   1.421
  392    HZ2  TRP  44           HZ2      TRP  44 102.468  -2.418   0.845
  393    HZ3  TRP  44           HZ3      TRP  44 105.795  -4.541   2.541
  394    HH2  TRP  44           HH2      TRP  44 103.349  -4.259   2.257
  395    H    PHE  45           HN       PHE  45 110.572  -0.580  -3.039
  396    HA   PHE  45           HA       PHE  45 112.291   0.875  -3.494
  397    HB2  PHE  45           HB2      PHE  45 109.962   2.786  -3.788
  398    HB3  PHE  45           HB1      PHE  45 111.611   3.118  -4.319
  399    HD1  PHE  45           HD1      PHE  45 108.495   1.985  -5.405
  400    HD2  PHE  45           HD2      PHE  45 112.679   1.068  -5.740
  401    HE1  PHE  45           HE1      PHE  45 108.059   0.773  -7.523
  402    HE2  PHE  45           HE2      PHE  45 112.242  -0.144  -7.859
  403    HZ   PHE  45           HZ       PHE  45 109.933  -0.292  -8.751
  404    HA   PRO  46           HA       PRO  46 111.640   2.418   1.021
  405    HB2  PRO  46           HB2      PRO  46 114.057   1.104   1.696
  406    HB3  PRO  46           HB1      PRO  46 112.413   0.591   2.120
  407    HG2  PRO  46           HG2      PRO  46 114.156  -0.295  -0.110
  408    HG3  PRO  46           HG1      PRO  46 112.976  -1.212   0.840
  409    HD2  PRO  46           HD2      PRO  46 112.438  -0.467  -1.683
  410    HD3  PRO  46           HD1      PRO  46 111.163  -0.426  -0.445
  411    H    GLN  47           HN       GLN  47 113.727   2.703  -1.606
  412    HA   GLN  47           HA       GLN  47 115.900   4.147  -0.526
  413    HB2  GLN  47           HB2      GLN  47 114.647   4.282  -3.278
  414    HB3  GLN  47           HB1      GLN  47 116.206   4.981  -2.844
  415    HG2  GLN  47           HG2      GLN  47 115.515   2.049  -2.518
  416    HG3  GLN  47           HG1      GLN  47 116.386   2.709  -3.901
  417   HE21  GLN  47          HE21      GLN  47 117.001   1.078  -1.133
  418   HE22  GLN  47          HE22      GLN  47 118.519   1.721  -0.732
  419    H    GLU  48           HN       GLU  48 112.977   5.355  -2.191
  420    HA   GLU  48           HA       GLU  48 113.479   8.031  -1.114
  421    HB2  GLU  48           HB2      GLU  48 112.848   7.776  -3.496
  422    HB3  GLU  48           HB1      GLU  48 111.313   7.065  -2.996
  423    HG2  GLU  48           HG2      GLU  48 110.994   9.442  -3.461
  424    HG3  GLU  48           HG1      GLU  48 110.791   9.145  -1.734
  425    H    GLY  49           HN       GLY  49 111.309   5.314  -0.744
  426    HA2  GLY  49           HA2      GLY  49 110.035   4.855   1.181
  427    HA3  GLY  49           HA1      GLY  49 110.204   6.538   1.671
  428    H    THR  50           HN       THR  50 108.453   4.308  -0.399
  429    HA   THR  50           HA       THR  50 106.204   6.193  -0.452
  430    HB   THR  50           HB       THR  50 107.532   6.441  -2.581
  431    HG1  THR  50           HG1      THR  50 105.520   7.006  -2.941
  432   HG21  THR  50          HG21      THR  50 107.435   4.615  -4.204
  433   HG22  THR  50          HG22      THR  50 106.551   3.613  -3.053
  434   HG23  THR  50          HG23      THR  50 108.227   4.060  -2.729
  435    H    ILE  51           HN       ILE  51 104.187   5.100  -1.246
  436    HA   ILE  51           HA       ILE  51 104.193   2.249  -0.451
  437    HB   ILE  51           HB       ILE  51 101.697   3.867  -0.286
  438   HG12  ILE  51          HG12      ILE  51 104.150   4.247   1.405
  439   HG13  ILE  51          HG11      ILE  51 102.991   5.450   0.839
  440   HG21  ILE  51          HG21      ILE  51 101.173   2.332   1.438
  441   HG22  ILE  51          HG22      ILE  51 102.867   1.915   1.697
  442   HG23  ILE  51          HG23      ILE  51 102.035   1.358   0.245
  443   HD11  ILE  51          HD11      ILE  51 102.680   3.463   3.090
  444   HD12  ILE  51          HD12      ILE  51 101.278   4.225   2.337
  445   HD13  ILE  51          HD13      ILE  51 102.495   5.216   3.141
  446    H    ASP  52           HN       ASP  52 103.252   0.796  -1.792
  447    HA   ASP  52           HA       ASP  52 101.679   1.781  -4.075
  448    HB2  ASP  52           HB2      ASP  52 104.178   0.096  -4.220
  449    HB3  ASP  52           HB1      ASP  52 102.984   0.122  -5.517
  450    H    ILE  53           HN       ILE  53  99.843   0.673  -4.188
  451    HA   ILE  53           HA       ILE  53  99.434  -1.712  -2.635
  452    HB   ILE  53           HB       ILE  53  97.597  -0.513  -4.715
  453   HG12  ILE  53          HG12      ILE  53  98.209   1.236  -3.140
  454   HG13  ILE  53          HG11      ILE  53  96.583   0.674  -2.744
  455   HG21  ILE  53          HG21      ILE  53  95.855  -1.620  -3.426
  456   HG22  ILE  53          HG22      ILE  53  97.033  -2.147  -2.224
  457   HG23  ILE  53          HG23      ILE  53  97.083  -2.810  -3.858
  458   HD11  ILE  53          HD11      ILE  53  99.168   0.133  -1.300
  459   HD12  ILE  53          HD12      ILE  53  97.808  -0.979  -1.137
  460   HD13  ILE  53          HD13      ILE  53  97.633   0.706  -0.646
  461    H    LYS  54           HN       LYS  54  99.796  -0.951  -6.070
  462    HA   LYS  54           HA       LYS  54  99.146  -3.519  -7.067
  463    HB2  LYS  54           HB2      LYS  54  99.223  -1.473  -8.465
  464    HB3  LYS  54           HB1      LYS  54 100.977  -1.437  -8.284
  465    HG2  LYS  54           HG2      LYS  54 101.158  -3.637  -9.351
  466    HG3  LYS  54           HG1      LYS  54  99.402  -3.733  -9.486
  467    HD2  LYS  54           HD2      LYS  54  99.400  -1.723 -10.919
  468    HD3  LYS  54           HD1      LYS  54 101.157  -1.634 -10.794
  469    HE2  LYS  54           HE2      LYS  54 101.344  -3.868 -11.832
  470    HE3  LYS  54           HE1      LYS  54  99.587  -3.949 -11.968
  471    HZ1  LYS  54           HZ1      LYS  54 101.282  -1.849 -13.206
  472    HZ2  LYS  54           HZ2      LYS  54  99.605  -2.043 -13.402
  473    HZ3  LYS  54           HZ3      LYS  54 100.676  -3.205 -14.025
  474    H    ARG  55           HN       ARG  55 102.319  -1.984  -6.496
  475    HA   ARG  55           HA       ARG  55 103.853  -4.275  -7.127
  476    HB2  ARG  55           HB2      ARG  55 104.453  -1.823  -5.464
  477    HB3  ARG  55           HB1      ARG  55 105.652  -3.073  -5.801
  478    HG2  ARG  55           HG2      ARG  55 105.371  -2.729  -8.212
  479    HG3  ARG  55           HG1      ARG  55 104.118  -1.523  -7.910
  480    HD2  ARG  55           HD2      ARG  55 106.228  -0.385  -8.338
  481    HD3  ARG  55           HD1      ARG  55 105.783  -0.163  -6.649
  482    HE   ARG  55           HE       ARG  55 107.615  -1.479  -6.034
  483   HH11  ARG  55          HH11      ARG  55 109.565  -2.541  -6.516
  484   HH12  ARG  55          HH12      ARG  55 109.940  -2.951  -8.156
  485   HH21  ARG  55          HH21      ARG  55 107.005  -1.620  -9.438
  486   HH22  ARG  55          HH22      ARG  55 108.490  -2.429  -9.810
  487    H    TRP  56           HN       TRP  56 102.348  -3.148  -4.157
  488    HA   TRP  56           HA       TRP  56 103.652  -4.803  -2.309
  489    HB2  TRP  56           HB2      TRP  56 102.303  -3.170  -1.336
  490    HB3  TRP  56           HB1      TRP  56 100.942  -3.516  -2.403
  491    HD1  TRP  56           HD1      TRP  56  99.061  -4.595  -1.099
  492    HE1  TRP  56           HE1      TRP  56  98.875  -6.344   0.786
  493    HE3  TRP  56           HE3      TRP  56 104.013  -5.479  -0.226
  494    HZ2  TRP  56           HZ2      TRP  56 100.600  -7.910   2.446
  495    HZ3  TRP  56           HZ3      TRP  56 104.714  -7.103   1.510
  496    HH2  TRP  56           HH2      TRP  56 103.015  -8.318   2.847
  497    H    ARG  57           HN       ARG  57 100.922  -5.427  -4.458
  498    HA   ARG  57           HA       ARG  57 100.226  -7.966  -3.389
  499    HB2  ARG  57           HB2      ARG  57  98.721  -6.646  -4.840
  500    HB3  ARG  57           HB1      ARG  57  99.819  -6.906  -6.196
  501    HG2  ARG  57           HG2      ARG  57  99.473  -9.306  -6.089
  502    HG3  ARG  57           HG1      ARG  57  98.510  -9.140  -4.620
  503    HD2  ARG  57           HD2      ARG  57  97.036  -9.404  -6.559
  504    HD3  ARG  57           HD1      ARG  57  96.853  -7.792  -5.876
  505    HE   ARG  57           HE       ARG  57  97.813  -6.903  -7.812
  506   HH11  ARG  57          HH11      ARG  57  98.527  -7.097  -9.959
  507   HH12  ARG  57          HH12      ARG  57  98.902  -8.661 -10.603
  508   HH21  ARG  57          HH21      ARG  57  98.139 -10.344  -7.669
  509   HH22  ARG  57          HH22      ARG  57  98.683 -10.499  -9.306
  510    H    ARG  58           HN       ARG  58 102.432  -6.931  -5.953
  511    HA   ARG  58           HA       ARG  58 103.054  -9.433  -7.041
  512    HB2  ARG  58           HB2      ARG  58 104.662  -6.894  -6.771
  513    HB3  ARG  58           HB1      ARG  58 105.278  -8.316  -7.614
  514    HG2  ARG  58           HG2      ARG  58 103.333  -8.283  -9.121
  515    HG3  ARG  58           HG1      ARG  58 102.689  -6.878  -8.270
  516    HD2  ARG  58           HD2      ARG  58 104.683  -5.575  -8.888
  517    HD3  ARG  58           HD1      ARG  58 105.350  -6.978  -9.719
  518    HE   ARG  58           HE       ARG  58 103.209  -5.255 -10.669
  519   HH11  ARG  58          HH11      ARG  58 102.522  -5.678 -12.792
  520   HH12  ARG  58          HH12      ARG  58 103.010  -7.142 -13.579
  521   HH21  ARG  58          HH21      ARG  58 104.849  -8.294 -10.875
  522   HH22  ARG  58          HH22      ARG  58 104.328  -8.622 -12.493
  523    H    VAL  59           HN       VAL  59 104.743  -7.636  -4.459
  524    HA   VAL  59           HA       VAL  59 106.598  -9.704  -3.878
  525    HB   VAL  59           HB       VAL  59 107.118  -7.469  -3.185
  526   HG11  VAL  59          HG11      VAL  59 104.725  -6.738  -2.983
  527   HG12  VAL  59          HG12      VAL  59 105.732  -6.209  -1.636
  528   HG13  VAL  59          HG13      VAL  59 104.642  -7.581  -1.436
  529   HG21  VAL  59          HG21      VAL  59 106.379  -8.815  -0.592
  530   HG22  VAL  59          HG22      VAL  59 107.829  -7.889  -0.982
  531   HG23  VAL  59          HG23      VAL  59 107.616  -9.513  -1.637
  532    H    GLY  60           HN       GLY  60 103.359  -8.973  -2.741
  533    HA2  GLY  60           HA2      GLY  60 103.345 -10.683  -0.477
  534    HA3  GLY  60           HA1      GLY  60 101.923 -10.096  -1.334
  535    H    ASP  61           HN       ASP  61 102.298 -11.164  -3.847
  536    HA   ASP  61           HA       ASP  61 101.501 -13.892  -3.400
  537    HB2  ASP  61           HB2      ASP  61 101.937 -12.276  -5.918
  538    HB3  ASP  61           HB1      ASP  61 101.353 -13.939  -5.913
  539    H    CYS  62           HN       CYS  62 104.380 -12.246  -4.571
  540    HA   CYS  62           HA       CYS  62 105.701 -14.514  -5.642
  541    HB2  CYS  62           HB2      CYS  62 106.731 -11.885  -4.568
  542    HB3  CYS  62           HB1      CYS  62 107.774 -13.101  -5.306
  543    HG   CYS  62           HG       CYS  62 107.027 -12.306  -7.521
  544    H    PHE  63           HN       PHE  63 105.618 -13.070  -2.416
  545    HA   PHE  63           HA       PHE  63 107.567 -14.936  -1.359
  546    HB2  PHE  63           HB2      PHE  63 106.022 -12.615  -0.327
  547    HB3  PHE  63           HB1      PHE  63 106.528 -13.828   0.849
  548    HD1  PHE  63           HD1      PHE  63 108.708 -13.778   1.706
  549    HD2  PHE  63           HD2      PHE  63 107.852 -11.793  -2.007
  550    HE1  PHE  63           HE1      PHE  63 111.010 -12.857   1.667
  551    HE2  PHE  63           HE2      PHE  63 110.154 -10.873  -2.045
  552    HZ   PHE  63           HZ       PHE  63 111.733 -11.405  -0.208
  553    H    GLN  64           HN       GLN  64 104.060 -14.465  -1.230
  554    HA   GLN  64           HA       GLN  64 103.522 -16.538   0.633
  555    HB2  GLN  64           HB2      GLN  64 101.915 -14.733   0.073
  556    HB3  GLN  64           HB1      GLN  64 101.718 -15.433  -1.534
  557    HG2  GLN  64           HG2      GLN  64 100.849 -17.493  -0.591
  558    HG3  GLN  64           HG1      GLN  64 101.188 -16.932   1.045
  559   HE21  GLN  64          HE21      GLN  64  98.531 -17.667   0.189
  560   HE22  GLN  64          HE22      GLN  64  97.575 -16.265   0.209
  561    H    ASP  65           HN       ASP  65 103.839 -16.459  -2.876
  562    HA   ASP  65           HA       ASP  65 102.854 -19.075  -3.375
  563    HB2  ASP  65           HB2      ASP  65 102.972 -17.594  -5.227
  564    HB3  ASP  65           HB1      ASP  65 104.669 -17.229  -4.923
  565    H    TYR  66           HN       TYR  66 106.187 -17.819  -3.139
  566    HA   TYR  66           HA       TYR  66 107.415 -20.379  -3.326
  567    HB2  TYR  66           HB2      TYR  66 108.290 -17.616  -2.652
  568    HB3  TYR  66           HB1      TYR  66 109.320 -18.942  -2.114
  569    HD1  TYR  66           HD1      TYR  66 109.689 -20.852  -3.952
  570    HD2  TYR  66           HD2      TYR  66 108.639 -16.773  -4.796
  571    HE1  TYR  66           HE1      TYR  66 110.580 -21.099  -6.254
  572    HE2  TYR  66           HE2      TYR  66 109.529 -17.020  -7.098
  573    HH   TYR  66           HH       TYR  66 111.468 -18.788  -8.137
  574    H    TYR  67           HN       TYR  67 106.379 -18.358  -0.622
  575    HA   TYR  67           HA       TYR  67 107.568 -19.951   1.422
  576    HB2  TYR  67           HB2      TYR  67 106.876 -17.590   1.748
  577    HB3  TYR  67           HB1      TYR  67 105.189 -18.089   1.614
  578    HD1  TYR  67           HD1      TYR  67 104.048 -18.510   3.595
  579    HD2  TYR  67           HD2      TYR  67 108.298 -19.120   3.457
  580    HE1  TYR  67           HE1      TYR  67 104.038 -19.126   5.998
  581    HE2  TYR  67           HE2      TYR  67 108.288 -19.736   5.860
  582    HH   TYR  67           HH       TYR  67 106.573 -19.101   7.911
  583    H    ASN  68           HN       ASN  68 104.361 -19.874  -0.080
  584    HA   ASN  68           HA       ASN  68 103.100 -21.699   1.665
  585    HB2  ASN  68           HB2      ASN  68 101.805 -20.297   0.161
  586    HB3  ASN  68           HB1      ASN  68 102.544 -21.065  -1.242
  587   HD21  ASN  68          HD21      ASN  68  99.909 -21.329  -1.390
  588   HD22  ASN  68          HD22      ASN  68  99.358 -22.840  -0.851
  589    H    THR  69           HN       THR  69 104.930 -22.158  -1.332
  590    HA   THR  69           HA       THR  69 104.421 -24.814  -1.876
  591    HB   THR  69           HB       THR  69 106.680 -24.885  -2.887
  592    HG1  THR  69           HG1      THR  69 107.853 -23.739  -1.398
  593   HG21  THR  69          HG21      THR  69 105.647 -23.800  -4.560
  594   HG22  THR  69          HG22      THR  69 106.149 -22.271  -3.836
  595   HG23  THR  69          HG23      THR  69 104.590 -22.977  -3.413
  596    H    PHE  70           HN       PHE  70 106.034 -23.475   0.844
  597    HA   PHE  70           HA       PHE  70 107.331 -26.007   1.542
  598    HB2  PHE  70           HB2      PHE  70 107.379 -23.245   2.760
  599    HB3  PHE  70           HB1      PHE  70 108.107 -24.644   3.551
  600    HD1  PHE  70           HD1      PHE  70 108.542 -22.086   1.066
  601    HD2  PHE  70           HD2      PHE  70 109.819 -26.025   2.211
  602    HE1  PHE  70           HE1      PHE  70 110.556 -21.849  -0.361
  603    HE2  PHE  70           HE2      PHE  70 111.833 -25.787   0.783
  604    HZ   PHE  70           HZ       PHE  70 112.201 -23.698  -0.502
  605    H    GLY  71           HN       GLY  71 104.304 -25.267   1.561
  606    HA2  GLY  71           HA2      GLY  71 102.470 -25.529   2.964
  607    HA3  GLY  71           HA1      GLY  71 103.319 -27.018   3.371
  608    HA   PRO  72           HA       PRO  72 104.653 -24.036   6.816
  609    HB2  PRO  72           HB2      PRO  72 104.057 -21.384   6.640
  610    HB3  PRO  72           HB1      PRO  72 105.495 -22.101   5.887
  611    HG2  PRO  72           HG2      PRO  72 102.957 -21.222   4.655
  612    HG3  PRO  72           HG1      PRO  72 104.596 -21.256   3.981
  613    HD2  PRO  72           HD2      PRO  72 102.571 -23.144   3.440
  614    HD3  PRO  72           HD1      PRO  72 104.303 -23.335   3.090
  615    H    GLU  73           HN       GLU  73 103.541 -24.143   8.692
  616    HA   GLU  73           HA       GLU  73 100.630 -23.921   8.620
  617    HB2  GLU  73           HB2      GLU  73 102.593 -24.918  10.685
  618    HB3  GLU  73           HB1      GLU  73 100.871 -24.740  11.023
  619    HG2  GLU  73           HG2      GLU  73 100.349 -26.224   9.114
  620    HG3  GLU  73           HG1      GLU  73 102.073 -26.419   8.803
  621    H    LYS  74           HN       LYS  74 103.425 -22.268   9.939
  622    HA   LYS  74           HA       LYS  74 102.128 -20.680  11.871
  623    HB2  LYS  74           HB2      LYS  74 104.470 -19.667  10.290
  624    HB3  LYS  74           HB1      LYS  74 104.120 -19.477  12.008
  625    HG2  LYS  74           HG2      LYS  74 104.948 -22.037  10.609
  626    HG3  LYS  74           HG1      LYS  74 105.920 -21.099  11.745
  627    HD2  LYS  74           HD2      LYS  74 104.129 -21.480  13.476
  628    HD3  LYS  74           HD1      LYS  74 103.343 -22.579  12.341
  629    HE2  LYS  74           HE2      LYS  74 105.298 -24.021  12.299
  630    HE3  LYS  74           HE1      LYS  74 106.205 -22.881  13.293
  631    HZ1  LYS  74           HZ1      LYS  74 104.564 -23.214  15.060
  632    HZ2  LYS  74           HZ2      LYS  74 105.351 -24.661  14.647
  633    HZ3  LYS  74           HZ3      LYS  74 103.767 -24.368  14.106
  634    H    VAL  75           HN       VAL  75 102.936 -19.998   8.468
  635    HA   VAL  75           HA       VAL  75 102.373 -18.097   7.209
  636    HB   VAL  75           HB       VAL  75  99.730 -19.325   8.029
  637   HG11  VAL  75          HG11      VAL  75 100.495 -17.298   5.930
  638   HG12  VAL  75          HG12      VAL  75  99.166 -17.235   7.086
  639   HG13  VAL  75          HG13      VAL  75  99.090 -18.342   5.715
  640   HG21  VAL  75          HG21      VAL  75 101.169 -19.733   5.419
  641   HG22  VAL  75          HG22      VAL  75  99.998 -20.783   6.218
  642   HG23  VAL  75          HG23      VAL  75 101.647 -20.671   6.834
  643    HA   PRO  76           HA       PRO  76 101.762 -15.213  10.765
  644    HB2  PRO  76           HB2      PRO  76 103.198 -13.508   8.787
  645    HB3  PRO  76           HB1      PRO  76 103.503 -13.728  10.521
  646    HG2  PRO  76           HG2      PRO  76 105.102 -14.819   8.718
  647    HG3  PRO  76           HG1      PRO  76 104.678 -15.683  10.204
  648    HD2  PRO  76           HD2      PRO  76 103.627 -16.115   7.424
  649    HD3  PRO  76           HD1      PRO  76 103.977 -17.320   8.682
  650    H    VAL  77           HN       VAL  77  99.878 -14.146  10.929
  651    HA   VAL  77           HA       VAL  77  98.374 -13.440   8.554
  652    HB   VAL  77           HB       VAL  77  97.726 -13.072  11.489
  653   HG11  VAL  77          HG11      VAL  77  95.343 -13.094  10.325
  654   HG12  VAL  77          HG12      VAL  77  96.261 -12.513   8.935
  655   HG13  VAL  77          HG13      VAL  77  96.270 -11.598  10.443
  656   HG21  VAL  77          HG21      VAL  77  97.048 -15.230  11.498
  657   HG22  VAL  77          HG22      VAL  77  97.921 -15.416   9.977
  658   HG23  VAL  77          HG23      VAL  77  96.199 -15.035   9.964
  659    H    THR  78           HN       THR  78 100.427 -11.863  10.845
  660    HA   THR  78           HA       THR  78  99.601  -9.260  10.918
  661    HB   THR  78           HB       THR  78 101.879  -8.627  11.252
  662    HG1  THR  78           HG1      THR  78 102.481 -11.030   9.874
  663   HG21  THR  78          HG21      THR  78 102.489 -10.104  12.964
  664   HG22  THR  78          HG22      THR  78 101.922 -11.518  12.076
  665   HG23  THR  78          HG23      THR  78 100.759 -10.407  12.799
  666    H    ALA  79           HN       ALA  79 100.959 -10.989   8.187
  667    HA   ALA  79           HA       ALA  79 101.590  -8.854   6.496
  668    HB1  ALA  79           HB1      ALA  79 100.806 -10.625   4.685
  669    HB2  ALA  79           HB2      ALA  79 100.793 -11.702   6.082
  670    HB3  ALA  79           HB3      ALA  79 102.280 -10.873   5.622
  671    H    PHE  80           HN       PHE  80  98.494 -10.345   7.255
  672    HA   PHE  80           HA       PHE  80  97.032  -9.005   5.183
  673    HB2  PHE  80           HB2      PHE  80  96.271 -10.567   7.638
  674    HB3  PHE  80           HB1      PHE  80  95.051  -9.705   6.701
  675    HD1  PHE  80           HD1      PHE  80  94.204 -10.611   4.691
  676    HD2  PHE  80           HD2      PHE  80  97.799 -12.216   6.406
  677    HE1  PHE  80           HE1      PHE  80  94.170 -12.455   3.033
  678    HE2  PHE  80           HE2      PHE  80  97.767 -14.060   4.748
  679    HZ   PHE  80           HZ       PHE  80  95.952 -14.180   3.062
  680    H    SER  81           HN       SER  81  97.791  -8.346   8.554
  681    HA   SER  81           HA       SER  81  95.961  -6.187   8.886
  682    HB2  SER  81           HB2      SER  81  97.321  -5.653  10.882
  683    HB3  SER  81           HB1      SER  81  96.904  -7.363  10.809
  684    HG   SER  81           HG       SER  81  99.298  -6.294  10.967
  685    H    TYR  82           HN       TYR  82  99.319  -6.422   7.822
  686    HA   TYR  82           HA       TYR  82  99.935  -3.671   7.834
  687    HB2  TYR  82           HB2      TYR  82 101.060  -6.120   6.629
  688    HB3  TYR  82           HB1      TYR  82 101.435  -4.625   5.773
  689    HD1  TYR  82           HD1      TYR  82 102.057  -6.624   8.737
  690    HD2  TYR  82           HD2      TYR  82 102.489  -2.707   7.027
  691    HE1  TYR  82           HE1      TYR  82 103.745  -6.057  10.462
  692    HE2  TYR  82           HE2      TYR  82 104.178  -2.141   8.753
  693    HH   TYR  82           HH       TYR  82 104.800  -4.242  11.474
  694    H    TRP  83           HN       TRP  83  98.704  -5.768   5.228
  695    HA   TRP  83           HA       TRP  83  98.597  -3.798   3.224
  696    HB2  TRP  83           HB2      TRP  83  98.398  -6.071   2.554
  697    HB3  TRP  83           HB1      TRP  83  97.040  -6.350   3.645
  698    HD1  TRP  83           HD1      TRP  83  97.824  -3.928   0.718
  699    HE1  TRP  83           HE1      TRP  83  95.695  -3.701  -0.717
  700    HE3  TRP  83           HE3      TRP  83  94.650  -6.929   3.365
  701    HZ2  TRP  83           HZ2      TRP  83  93.001  -4.665  -0.740
  702    HZ3  TRP  83           HZ3      TRP  83  92.311  -7.256   2.616
  703    HH2  TRP  83           HH2      TRP  83  91.484  -6.129   0.568
  704    H    ASN  84           HN       ASN  84  96.283  -4.730   5.722
  705    HA   ASN  84           HA       ASN  84  94.070  -3.268   4.751
  706    HB2  ASN  84           HB2      ASN  84  94.860  -4.321   7.453
  707    HB3  ASN  84           HB1      ASN  84  93.425  -3.314   7.268
  708   HD21  ASN  84          HD21      ASN  84  93.265  -6.090   8.033
  709   HD22  ASN  84          HD22      ASN  84  92.493  -6.932   6.778
  710    H    LEU  85           HN       LEU  85  96.503  -2.435   7.224
  711    HA   LEU  85           HA       LEU  85  95.515   0.175   7.711
  712    HB2  LEU  85           HB2      LEU  85  96.973  -0.925   9.314
  713    HB3  LEU  85           HB1      LEU  85  98.276  -0.995   8.126
  714    HG   LEU  85           HG       LEU  85  98.310   1.476   8.024
  715   HD11  LEU  85          HD11      LEU  85  95.955   1.100   9.826
  716   HD12  LEU  85          HD12      LEU  85  96.215   2.294   8.554
  717   HD13  LEU  85          HD13      LEU  85  97.001   2.490  10.120
  718   HD21  LEU  85          HD21      LEU  85  99.588   0.045   9.781
  719   HD22  LEU  85          HD22      LEU  85  98.420   0.687  10.935
  720   HD23  LEU  85          HD23      LEU  85  99.481   1.785  10.051
  721    H    ILE  86           HN       ILE  86  98.231  -0.987   5.714
  722    HA   ILE  86           HA       ILE  86  99.019   1.535   4.737
  723    HB   ILE  86           HB       ILE  86  99.564  -1.276   4.111
  724   HG12  ILE  86          HG12      ILE  86 101.372   1.079   3.628
  725   HG13  ILE  86          HG11      ILE  86 100.972   0.612   5.281
  726   HG21  ILE  86          HG21      ILE  86 100.545  -0.614   1.846
  727   HG22  ILE  86          HG22      ILE  86  99.539   0.831   1.941
  728   HG23  ILE  86          HG23      ILE  86  98.789  -0.764   1.909
  729   HD11  ILE  86          HD11      ILE  86 101.977  -1.398   3.262
  730   HD12  ILE  86          HD12      ILE  86 101.926  -1.547   5.018
  731   HD13  ILE  86          HD13      ILE  86 103.080  -0.450   4.260
  732    H    LYS  87           HN       LYS  87  96.682  -0.834   3.531
  733    HA   LYS  87           HA       LYS  87  96.107   0.211   1.038
  734    HB2  LYS  87           HB2      LYS  87  94.994  -1.775   1.497
  735    HB3  LYS  87           HB1      LYS  87  94.461  -1.230   3.087
  736    HG2  LYS  87           HG2      LYS  87  92.817   0.229   2.137
  737    HG3  LYS  87           HG1      LYS  87  93.482   0.027   0.515
  738    HD2  LYS  87           HD2      LYS  87  92.867  -2.371   0.570
  739    HD3  LYS  87           HD1      LYS  87  92.174  -2.148   2.177
  740    HE2  LYS  87           HE2      LYS  87  90.547  -0.552   1.294
  741    HE3  LYS  87           HE1      LYS  87  91.274  -0.663  -0.310
  742    HZ1  LYS  87           HZ1      LYS  87  89.841  -2.305  -0.668
  743    HZ2  LYS  87           HZ2      LYS  87  89.420  -2.424   0.974
  744    HZ3  LYS  87           HZ3      LYS  87  90.780  -3.252   0.379
  745    H    GLU  88           HN       GLU  88  94.662   1.127   4.163
  746    HA   GLU  88           HA       GLU  88  93.160   3.287   2.930
  747    HB2  GLU  88           HB2      GLU  88  91.987   3.398   4.893
  748    HB3  GLU  88           HB1      GLU  88  92.602   1.751   5.051
  749    HG2  GLU  88           HG2      GLU  88  93.201   2.679   7.108
  750    HG3  GLU  88           HG1      GLU  88  94.670   2.916   6.162
  751    H    LEU  89           HN       LEU  89  96.248   2.838   4.318
  752    HA   LEU  89           HA       LEU  89  96.700   5.333   5.536
  753    HB2  LEU  89           HB2      LEU  89  98.181   3.314   5.719
  754    HB3  LEU  89           HB1      LEU  89  98.747   3.646   4.083
  755    HG   LEU  89           HG       LEU  89  99.455   5.917   4.822
  756   HD11  LEU  89          HD11      LEU  89  98.302   6.599   6.676
  757   HD12  LEU  89          HD12      LEU  89  99.648   5.844   7.526
  758   HD13  LEU  89          HD13      LEU  89  98.139   4.960   7.305
  759   HD21  LEU  89          HD21      LEU  89 100.564   3.583   6.417
  760   HD22  LEU  89          HD22      LEU  89 101.375   5.137   6.218
  761   HD23  LEU  89          HD23      LEU  89 101.097   4.102   4.817
  762    H    ILE  90           HN       ILE  90  97.176   4.243   2.191
  763    HA   ILE  90           HA       ILE  90  98.387   6.589   1.211
  764    HB   ILE  90           HB       ILE  90  96.693   4.500  -0.173
  765   HG12  ILE  90          HG12      ILE  90  99.681   4.982   0.057
  766   HG13  ILE  90          HG11      ILE  90  98.777   3.630   0.738
  767   HG21  ILE  90          HG21      ILE  90  97.665   5.417  -2.266
  768   HG22  ILE  90          HG22      ILE  90  98.401   6.723  -1.336
  769   HG23  ILE  90          HG23      ILE  90  96.644   6.599  -1.447
  770   HD11  ILE  90          HD11      ILE  90  99.800   2.839  -1.293
  771   HD12  ILE  90          HD12      ILE  90  99.229   4.244  -2.193
  772   HD13  ILE  90          HD13      ILE  90  98.079   3.034  -1.623
  773    H    ASP  91           HN       ASP  91  94.977   5.593   1.338
  774    HA   ASP  91           HA       ASP  91  93.920   7.859   0.022
  775    HB2  ASP  91           HB2      ASP  91  92.709   5.944   2.022
  776    HB3  ASP  91           HB1      ASP  91  91.786   7.206   1.206
  777    H    LYS  92           HN       LYS  92  95.408   7.562   3.039
  778    HA   LYS  92           HA       LYS  92  93.954   9.405   4.605
  779    HB2  LYS  92           HB2      LYS  92  95.838   7.796   5.316
  780    HB3  LYS  92           HB1      LYS  92  96.941   9.062   4.773
  781    HG2  LYS  92           HG2      LYS  92  95.919  10.665   6.304
  782    HG3  LYS  92           HG1      LYS  92  94.718   9.469   6.794
  783    HD2  LYS  92           HD2      LYS  92  96.532   8.015   7.652
  784    HD3  LYS  92           HD1      LYS  92  97.715   9.243   7.200
  785    HE2  LYS  92           HE2      LYS  92  96.681  10.849   8.728
  786    HE3  LYS  92           HE1      LYS  92  95.420   9.685   9.133
  787    HZ1  LYS  92           HZ1      LYS  92  96.813   9.172  10.797
  788    HZ2  LYS  92           HZ2      LYS  92  98.178   9.813  10.014
  789    HZ3  LYS  92           HZ3      LYS  92  97.620   8.257   9.618
  790    H    LYS  93           HN       LYS  93  96.655   9.832   2.346
  791    HA   LYS  93           HA       LYS  93  95.939  12.662   2.094
  792    HB2  LYS  93           HB2      LYS  93  98.662  11.642   2.911
  793    HB3  LYS  93           HB1      LYS  93  98.409  13.244   2.219
  794    HG2  LYS  93           HG2      LYS  93  96.801  13.767   4.024
  795    HG3  LYS  93           HG1      LYS  93  97.080  12.173   4.725
  796    HD2  LYS  93           HD2      LYS  93  99.482  12.726   4.997
  797    HD3  LYS  93           HD1      LYS  93  99.172  14.335   4.345
  798    HE2  LYS  93           HE2      LYS  93  97.630  14.816   6.186
  799    HE3  LYS  93           HE1      LYS  93  97.855  13.187   6.824
  800    HZ1  LYS  93           HZ1      LYS  93  99.668  13.855   7.874
  801    HZ2  LYS  93           HZ2      LYS  93  99.393  15.443   7.338
  802    HZ3  LYS  93           HZ3      LYS  93 100.367  14.391   6.425
  803    H    GLU  94           HN       GLU  94  96.734  13.640   0.160
  804    HA   GLU  94           HA       GLU  94  96.794  11.870  -2.077
  805    HB2  GLU  94           HB2      GLU  94  97.343  14.836  -1.837
  806    HB3  GLU  94           HB1      GLU  94  97.263  13.969  -3.371
  807    HG2  GLU  94           HG2      GLU  94  95.027  13.980  -1.327
  808    HG3  GLU  94           HG1      GLU  94  95.099  15.076  -2.706
  809    H    VAL  95           HN       VAL  95  98.941  11.480  -0.103
  810    HA   VAL  95           HA       VAL  95 101.270  11.410   0.051
  811    HB   VAL  95           HB       VAL  95 102.191  10.036  -1.769
  812   HG11  VAL  95          HG11      VAL  95  99.493   8.859  -1.544
  813   HG12  VAL  95          HG12      VAL  95 100.210   9.343  -0.007
  814   HG13  VAL  95          HG13      VAL  95 101.053   8.199  -1.052
  815   HG21  VAL  95          HG21      VAL  95 100.923  11.321  -3.570
  816   HG22  VAL  95          HG22      VAL  95  99.502  10.376  -3.124
  817   HG23  VAL  95          HG23      VAL  95 100.935   9.567  -3.761
  818    H    ASN  96           HN       ASN  96 103.097  11.459  -2.186
  819    HA   ASN  96           HA       ASN  96 102.895  14.118  -3.345
  820    HB2  ASN  96           HB2      ASN  96 104.451  15.194  -2.099
  821    HB3  ASN  96           HB1      ASN  96 104.039  13.993  -0.876
  822   HD21  ASN  96          HD21      ASN  96 106.708  15.358  -1.573
  823   HD22  ASN  96          HD22      ASN  96 107.788  14.063  -1.773
  824    HA   PRO  97           HA       PRO  97 105.388  12.769  -6.641
  825    HB2  PRO  97           HB2      PRO  97 107.706  14.446  -5.785
  826    HB3  PRO  97           HB1      PRO  97 106.856  14.405  -7.341
  827    HG2  PRO  97           HG2      PRO  97 106.486  16.404  -5.647
  828    HG3  PRO  97           HG1      PRO  97 105.141  15.748  -6.595
  829    HD2  PRO  97           HD2      PRO  97 105.779  15.334  -3.692
  830    HD3  PRO  97           HD1      PRO  97 104.182  15.452  -4.460
  831    H    GLN  98           HN       GLN  98 107.125  12.866  -3.571
  832    HA   GLN  98           HA       GLN  98 109.379  11.436  -3.930
  833    HB2  GLN  98           HB2      GLN  98 109.296  10.865  -1.695
  834    HB3  GLN  98           HB1      GLN  98 108.091  12.152  -1.733
  835    HG2  GLN  98           HG2      GLN  98 106.425  10.203  -2.292
  836    HG3  GLN  98           HG1      GLN  98 107.677   9.180  -1.588
  837   HE21  GLN  98          HE21      GLN  98 106.685   8.679   0.424
  838   HE22  GLN  98          HE22      GLN  98 106.252   9.857   1.567
  839    H    VAL  99           HN       VAL  99 106.185  10.310  -4.550
  840    HA   VAL  99           HA       VAL  99 106.574   7.522  -4.385
  841    HB   VAL  99           HB       VAL  99 104.749   9.133  -6.183
  842   HG11  VAL  99          HG11      VAL  99 105.093   6.193  -5.699
  843   HG12  VAL  99          HG12      VAL  99 104.735   7.041  -7.203
  844   HG13  VAL  99          HG13      VAL  99 103.474   6.827  -5.988
  845   HG21  VAL  99          HG21      VAL  99 104.744   8.907  -3.435
  846   HG22  VAL  99          HG22      VAL  99 103.664   7.600  -3.917
  847   HG23  VAL  99          HG23      VAL  99 103.322   9.256  -4.418
  848    H    MET 100           HN       MET 100 107.031   9.809  -7.065
  849    HA   MET 100           HA       MET 100 107.801   7.813  -8.959
  850    HB2  MET 100           HB2      MET 100 108.159  10.815  -8.906
  851    HB3  MET 100           HB1      MET 100 108.627   9.800 -10.271
  852    HG2  MET 100           HG2      MET 100 106.303   8.967 -10.441
  853    HG3  MET 100           HG1      MET 100 105.839  10.008  -9.096
  854    HE1  MET 100           HE1      MET 100 105.909  12.287  -8.942
  855    HE2  MET 100           HE2      MET 100 105.867  13.481 -10.237
  856    HE3  MET 100           HE3      MET 100 107.414  12.850  -9.679
  857    H    ALA 101           HN       ALA 101 109.563  10.001  -6.805
  858    HA   ALA 101           HA       ALA 101 112.156   9.529  -7.774
  859    HB1  ALA 101           HB1      ALA 101 112.487   9.918  -5.056
  860    HB2  ALA 101           HB2      ALA 101 110.944  10.705  -5.389
  861    HB3  ALA 101           HB3      ALA 101 112.390  11.192  -6.273
  862    H    ALA 102           HN       ALA 102 110.039   7.571  -5.858
  863    HA   ALA 102           HA       ALA 102 112.017   5.887  -4.678
  864    HB1  ALA 102           HB1      ALA 102 110.229   5.065  -3.605
  865    HB2  ALA 102           HB2      ALA 102 109.514   4.523  -5.124
  866    HB3  ALA 102           HB3      ALA 102 109.218   6.163  -4.545
  867    H    VAL 103           HN       VAL 103 110.093   5.725  -7.648
  868    HA   VAL 103           HA       VAL 103 110.769   3.168  -8.515
  869    HB   VAL 103           HB       VAL 103 110.229   5.709 -10.057
  870   HG11  VAL 103          HG11      VAL 103 111.355   4.529 -11.700
  871   HG12  VAL 103          HG12      VAL 103 109.746   3.830 -11.882
  872   HG13  VAL 103          HG13      VAL 103 110.986   2.964 -10.975
  873   HG21  VAL 103          HG21      VAL 103 108.048   4.679 -10.415
  874   HG22  VAL 103          HG22      VAL 103 108.394   4.692  -8.686
  875   HG23  VAL 103          HG23      VAL 103 108.578   3.202  -9.610
  876    H    ALA 104           HN       ALA 104 112.548   6.211  -8.840
  877    HA   ALA 104           HA       ALA 104 114.589   5.423 -10.545
  878    HB1  ALA 104           HB1      ALA 104 114.568   7.324  -8.204
  879    HB2  ALA 104           HB2      ALA 104 114.501   7.709  -9.924
  880    HB3  ALA 104           HB3      ALA 104 115.995   7.096  -9.215
  881    H    GLN 105           HN       GLN 105 113.799   4.095  -7.566
  882    HA   GLN 105           HA       GLN 105 114.847   2.634  -6.135
  883    HB2  GLN 105           HB2      GLN 105 116.306   2.168  -8.729
  884    HB3  GLN 105           HB1      GLN 105 116.718   1.266  -7.270
  885    HG2  GLN 105           HG2      GLN 105 114.495   0.373  -7.093
  886    HG3  GLN 105           HG1      GLN 105 113.898   1.454  -8.351
  887   HE21  GLN 105          HE21      GLN 105 113.265  -0.920  -9.156
  888   HE22  GLN 105          HE22      GLN 105 114.396  -1.647 -10.193
  889    H    THR 106           HN       THR 106 117.934   2.608  -7.488
  890    HA   THR 106           HA       THR 106 118.898   4.670  -5.601
  891    HB   THR 106           HB       THR 106 120.153   1.960  -6.103
  892    HG1  THR 106           HG1      THR 106 118.177   2.580  -4.575
  893   HG21  THR 106          HG21      THR 106 121.953   3.374  -5.644
  894   HG22  THR 106          HG22      THR 106 121.503   2.826  -4.030
  895   HG23  THR 106          HG23      THR 106 120.994   4.418  -4.594
  896    H    GLU 107           HN       GLU 107 120.142   6.157  -6.536
  897    HA   GLU 107           HA       GLU 107 121.673   5.429  -8.948
  898    HB2  GLU 107           HB2      GLU 107 119.902   7.861  -8.617
  899    HB3  GLU 107           HB1      GLU 107 121.053   7.638  -9.935
  900    HG2  GLU 107           HG2      GLU 107 119.891   5.567 -10.605
  901    HG3  GLU 107           HG1      GLU 107 118.740   5.786  -9.289
  902    H    GLU 108           HN       GLU 108 123.608   6.539  -9.222
  903    HA   GLU 108           HA       GLU 108 124.721   7.691  -6.806
  904    HB2  GLU 108           HB2      GLU 108 125.900   7.156  -9.542
  905    HB3  GLU 108           HB1      GLU 108 126.812   7.815  -8.183
  906    HG2  GLU 108           HG2      GLU 108 126.344   5.827  -6.851
  907    HG3  GLU 108           HG1      GLU 108 125.315   5.180  -8.127
  908    H    ILE 109           HN       ILE 109 124.620   9.781  -6.330
  909    HA   ILE 109           HA       ILE 109 123.451  11.773  -7.829
  910    HB   ILE 109           HB       ILE 109 124.664  13.376  -6.382
  911   HG12  ILE 109          HG12      ILE 109 126.084  10.939  -5.276
  912   HG13  ILE 109          HG11      ILE 109 126.823  12.028  -6.449
  913   HG21  ILE 109          HG21      ILE 109 122.808  12.607  -5.240
  914   HG22  ILE 109          HG22      ILE 109 124.072  12.017  -4.161
  915   HG23  ILE 109          HG23      ILE 109 123.324  10.923  -5.324
  916   HD11  ILE 109          HD11      ILE 109 126.396  13.930  -4.877
  917   HD12  ILE 109          HD12      ILE 109 127.494  12.719  -4.215
  918   HD13  ILE 109          HD13      ILE 109 125.812  12.765  -3.687
  919    H    LEU 110           HN       LEU 110 126.611  10.409  -8.170
  920    HA   LEU 110           HA       LEU 110 127.868  12.550  -9.553
  921    HB2  LEU 110           HB2      LEU 110 128.396   9.570  -9.684
  922    HB3  LEU 110           HB1      LEU 110 129.471  10.826 -10.303
  923    HG   LEU 110           HG       LEU 110 128.580  10.565  -7.415
  924   HD11  LEU 110          HD11      LEU 110 130.651   9.591  -6.936
  925   HD12  LEU 110          HD12      LEU 110 131.390  10.198  -8.419
  926   HD13  LEU 110          HD13      LEU 110 130.255   8.849  -8.486
  927   HD21  LEU 110          HD21      LEU 110 129.079  12.810  -7.577
  928   HD22  LEU 110          HD22      LEU 110 130.133  12.583  -8.973
  929   HD23  LEU 110          HD23      LEU 110 130.716  12.192  -7.355
  930    H    LYS 111           HN       LYS 111 125.896   9.810 -10.594
  931    HA   LYS 111           HA       LYS 111 126.308  10.103 -13.378
  932    HB2  LYS 111           HB2      LYS 111 125.319   8.089 -12.272
  933    HB3  LYS 111           HB1      LYS 111 123.847   9.021 -11.988
  934    HG2  LYS 111           HG2      LYS 111 123.572   9.375 -14.396
  935    HG3  LYS 111           HG1      LYS 111 125.082   8.518 -14.713
  936    HD2  LYS 111           HD2      LYS 111 124.127   6.473 -13.698
  937    HD3  LYS 111           HD1      LYS 111 122.610   7.330 -13.417
  938    HE2  LYS 111           HE2      LYS 111 122.314   7.674 -15.816
  939    HE3  LYS 111           HE1      LYS 111 123.879   6.928 -16.141
  940    HZ1  LYS 111           HZ1      LYS 111 121.981   5.406 -16.448
  941    HZ2  LYS 111           HZ2      LYS 111 121.615   5.558 -14.795
  942    HZ3  LYS 111           HZ3      LYS 111 123.085   4.858 -15.283
  943    H    SER 112           HN       SER 112 124.161  11.678 -11.102
  944    HA   SER 112           HA       SER 112 122.321  12.802 -12.908
  945    HB2  SER 112           HB2      SER 112 121.947  12.822 -10.493
  946    HB3  SER 112           HB1      SER 112 123.334  13.885 -10.268
  947    HG   SER 112           HG       SER 112 120.805  14.505 -10.911
  948    H    ASN 113           HN       ASN 113 125.382  14.083 -11.621
  949    HA   ASN 113           HA       ASN 113 125.267  16.540 -13.050
  950    HB2  ASN 113           HB2      ASN 113 126.677  16.266 -11.069
  951    HB3  ASN 113           HB1      ASN 113 127.644  15.055 -11.908
  952   HD21  ASN 113          HD21      ASN 113 129.608  16.337 -11.869
  953   HD22  ASN 113          HD22      ASN 113 129.769  17.753 -12.790
  954    H    SER 114           HN       SER 114 126.850  13.427 -13.692
  955    HA   SER 114           HA       SER 114 126.695  13.817 -16.527
  956    HB2  SER 114           HB2      SER 114 129.144  13.791 -16.940
  957    HB3  SER 114           HB1      SER 114 128.616  15.259 -16.121
  958    HG   SER 114           HG       SER 114 129.659  12.943 -14.844
  959    H    GLN 115           HN       GLN 115 127.382  11.949 -17.712
  960    HA   GLN 115           HA       GLN 115 127.398   9.524 -16.048
  961    HB2  GLN 115           HB2      GLN 115 126.995   9.743 -19.037
  962    HB3  GLN 115           HB1      GLN 115 126.660   8.346 -18.013
  963    HG2  GLN 115           HG2      GLN 115 124.956   9.665 -16.790
  964    HG3  GLN 115           HG1      GLN 115 125.271  11.038 -17.850
  965   HE21  GLN 115          HE21      GLN 115 122.741  10.439 -18.120
  966   HE22  GLN 115          HE22      GLN 115 122.405   9.430 -19.443
  967    H    THR 116           HN       THR 116 129.792  11.080 -16.250
  968    HA   THR 116           HA       THR 116 131.589  10.114 -18.201
  969    HB   THR 116           HB       THR 116 132.333  10.974 -15.403
  970    HG1  THR 116           HG1      THR 116 131.485  12.438 -17.654
  971   HG21  THR 116          HG21      THR 116 133.704  11.018 -18.100
  972   HG22  THR 116          HG22      THR 116 134.207  10.144 -16.653
  973   HG23  THR 116          HG23      THR 116 134.305  11.905 -16.699
  974    H    ASP 117           HN       ASP 117 130.850   9.000 -14.910
  975    HA   ASP 117           HA       ASP 117 132.799   6.981 -14.750
  976    HB2  ASP 117           HB2      ASP 117 131.498   7.803 -12.813
  977    HB3  ASP 117           HB1      ASP 117 130.056   7.033 -13.473
  978    H    LEU 118           HN       LEU 118 129.407   6.845 -15.821
  979    HA   LEU 118           HA       LEU 118 129.790   4.082 -16.720
  980    HB2  LEU 118           HB2      LEU 118 127.313   5.824 -16.694
  981    HB3  LEU 118           HB1      LEU 118 127.362   4.114 -17.124
  982    HG   LEU 118           HG       LEU 118 128.208   5.249 -14.442
  983   HD11  LEU 118          HD11      LEU 118 125.687   5.237 -15.144
  984   HD12  LEU 118          HD12      LEU 118 126.138   4.567 -13.576
  985   HD13  LEU 118          HD13      LEU 118 125.815   3.491 -14.935
  986   HD21  LEU 118          HD21      LEU 118 128.271   2.550 -15.719
  987   HD22  LEU 118          HD22      LEU 118 127.839   2.629 -14.011
  988   HD23  LEU 118          HD23      LEU 118 129.388   3.268 -14.559
  989    H    GLU 119           HN       GLU 119 130.473   7.012 -17.944
  990    HA   GLU 119           HA       GLU 119 130.523   7.961 -20.058
  991    HB2  GLU 119           HB2      GLU 119 131.201   5.062 -20.602
  992    HB3  GLU 119           HB1      GLU 119 131.452   6.372 -21.755
  993    HG2  GLU 119           HG2      GLU 119 132.947   7.510 -20.194
  994    HG3  GLU 119           HG1      GLU 119 132.642   6.279 -18.969
  995    H    HIS 120           HN       HIS 120 129.970   6.900 -22.571
  996    HA   HIS 120           HA       HIS 120 127.170   7.290 -22.750
  997    HB2  HIS 120           HB2      HIS 120 129.271   6.345 -24.688
  998    HB3  HIS 120           HB1      HIS 120 127.566   6.389 -25.138
  999    HD1  HIS 120           HD1      HIS 120 126.400   8.746 -25.177
 1000    HD2  HIS 120           HD2      HIS 120 130.510   8.874 -24.493
 1001    HE1  HIS 120           HE1      HIS 120 127.105  11.157 -25.500
 1002    HE2  HIS 120           HE2      HIS 120 129.609  11.252 -25.086
 1003    H    HIS 121           HN       HIS 121 129.199   4.381 -22.918
 1004    HA   HIS 121           HA       HIS 121 126.859   2.667 -23.199
 1005    HB2  HIS 121           HB2      HIS 121 129.829   2.136 -23.081
 1006    HB3  HIS 121           HB1      HIS 121 128.633   0.840 -23.104
 1007    HD1  HIS 121           HD1      HIS 121 129.543   3.924 -25.160
 1008    HD2  HIS 121           HD2      HIS 121 127.806   0.167 -25.656
 1009    HE1  HIS 121           HE1      HIS 121 129.127   3.649 -27.644
 1010    HE2  HIS 121           HE2      HIS 121 128.068   1.363 -27.962
 1011    H    HIS 122           HN       HIS 122 125.740   1.985 -21.499
 1012    HA   HIS 122           HA       HIS 122 126.471   2.456 -18.819
 1013    HB2  HIS 122           HB2      HIS 122 124.434   0.591 -20.049
 1014    HB3  HIS 122           HB1      HIS 122 124.596   0.836 -18.309
 1015    HD1  HIS 122           HD1      HIS 122 124.655   3.609 -17.704
 1016    HD2  HIS 122           HD2      HIS 122 122.613   2.358 -21.116
 1017    HE1  HIS 122           HE1      HIS 122 123.058   5.479 -18.310
 1018    HE2  HIS 122           HE2      HIS 122 121.805   4.730 -20.387
 1019    H    HIS 123           HN       HIS 123 126.646  -0.477 -20.815
 1020    HA   HIS 123           HA       HIS 123 128.340  -1.702 -18.721
 1021    HB2  HIS 123           HB2      HIS 123 126.047  -2.760 -19.416
 1022    HB3  HIS 123           HB1      HIS 123 126.946  -3.314 -20.829
 1023    HD1  HIS 123           HD1      HIS 123 127.188  -3.425 -17.028
 1024    HD2  HIS 123           HD2      HIS 123 128.490  -5.570 -20.358
 1025    HE1  HIS 123           HE1      HIS 123 128.331  -5.504 -16.139
 1026    HE2  HIS 123           HE2      HIS 123 129.130  -6.822 -18.157
 1027    H    HIS 124           HN       HIS 124 130.404  -1.999 -19.243
 1028    HA   HIS 124           HA       HIS 124 131.373  -1.391 -21.879
 1029    HB2  HIS 124           HB2      HIS 124 132.747  -2.460 -19.405
 1030    HB3  HIS 124           HB1      HIS 124 133.589  -2.044 -20.897
 1031    HD1  HIS 124           HD1      HIS 124 132.098  -0.560 -17.860
 1032    HD2  HIS 124           HD2      HIS 124 133.410   0.797 -21.578
 1033    HE1  HIS 124           HE1      HIS 124 132.305   1.958 -17.672
 1034    HE2  HIS 124           HE2      HIS 124 133.104   2.799 -19.931
 1035    H    HIS 125           HN       HIS 125 132.354  -2.780 -23.358
 1036    HA   HIS 125           HA       HIS 125 132.507  -4.708 -24.601
 1037    HB2  HIS 125           HB2      HIS 125 132.897  -5.895 -21.843
 1038    HB3  HIS 125           HB1      HIS 125 133.260  -6.715 -23.362
 1039    HD1  HIS 125           HD1      HIS 125 134.891  -5.055 -25.001
 1040    HD2  HIS 125           HD2      HIS 125 135.144  -4.648 -20.859
 1041    HE1  HIS 125           HE1      HIS 125 137.104  -3.917 -24.526
 1042    HE2  HIS 125           HE2      HIS 125 137.273  -3.663 -22.005
  Start of MODEL    6
    1    H21  MYR   1          1H2       MYR   1 115.942   8.714  -0.699
    2    H22  MYR   1          2H2       MYR   1 115.714   9.612   0.638
    3    H31  MYR   1          1H3       MYR   1 114.093  10.836  -0.297
    4    H32  MYR   1          2H3       MYR   1 114.724  10.719  -1.792
    5    H41  MYR   1          1H4       MYR   1 113.369   9.093  -2.280
    6    H42  MYR   1          2H4       MYR   1 113.907   8.220  -1.017
    7    H51  MYR   1          1H5       MYR   1 112.078  10.254  -0.337
    8    H52  MYR   1          2H5       MYR   1 111.436   9.027  -1.198
    9    H61  MYR   1          1H6       MYR   1 112.422   7.515   0.460
   10    H62  MYR   1          2H6       MYR   1 112.737   8.829   1.368
   11    H71  MYR   1          1H7       MYR   1 110.601   9.127   1.927
   12    H72  MYR   1          2H7       MYR   1 110.041   8.403   0.578
   13    H81  MYR   1          1H8       MYR   1 110.514   6.287   1.488
   14    H82  MYR   1          2H8       MYR   1 111.144   6.977   2.822
   15    H91  MYR   1          1H9       MYR   1 109.128   7.464   3.682
   16    H92  MYR   1          2H9       MYR   1 108.402   7.508   2.225
   17   H101  MYR   1          1H10      MYR   1 107.845   5.394   2.319
   18   H102  MYR   1          2H10      MYR   1 109.315   4.944   2.856
   19   H111  MYR   1          1H11      MYR   1 108.620   4.804   4.937
   20   H112  MYR   1          2H11      MYR   1 107.839   6.230   4.858
   21   H121  MYR   1          1H12      MYR   1 106.323   4.415   5.261
   22   H122  MYR   1          2H12      MYR   1 105.957   5.209   3.889
   23   H131  MYR   1          1H13      MYR   1 106.206   3.391   2.708
   24   H132  MYR   1          2H13      MYR   1 107.705   3.158   3.297
   25   H141  MYR   1          1H14      MYR   1 105.593   1.597   3.805
   26   H142  MYR   1          2H14      MYR   1 107.025   1.544   4.599
   27   H143  MYR   1          3H14      MYR   1 105.802   2.453   5.186
   28    H    GLY   2           HN       GLY   2 117.958   9.096   0.376
   29    HA2  GLY   2           HA2      GLY   2 119.712  10.781   0.713
   30    HA3  GLY   2           HA1      GLY   2 118.481  12.011   0.457
   31    H    GLN   3           HN       GLN   3 118.878  12.987   2.470
   32    HA   GLN   3           HA       GLN   3 119.023  11.749   4.953
   33    HB2  GLN   3           HB2      GLN   3 117.927  14.449   4.159
   34    HB3  GLN   3           HB1      GLN   3 118.122  13.946   5.838
   35    HG2  GLN   3           HG2      GLN   3 120.523  13.561   5.453
   36    HG3  GLN   3           HG1      GLN   3 120.336  14.045   3.768
   37   HE21  GLN   3          HE21      GLN   3 122.090  15.677   4.747
   38   HE22  GLN   3          HE22      GLN   3 121.455  17.139   5.329
   39    H    GLU   4           HN       GLU   4 116.275  12.315   2.908
   40    HA   GLU   4           HA       GLU   4 114.141  12.248   4.655
   41    HB2  GLU   4           HB2      GLU   4 114.416  10.955   1.936
   42    HB3  GLU   4           HB1      GLU   4 112.887  11.119   2.801
   43    HG2  GLU   4           HG2      GLU   4 113.118  13.547   2.835
   44    HG3  GLU   4           HG1      GLU   4 114.706  13.434   2.077
   45    H    LEU   5           HN       LEU   5 116.443   9.792   4.013
   46    HA   LEU   5           HA       LEU   5 115.167   7.415   4.420
   47    HB2  LEU   5           HB2      LEU   5 117.631   7.700   4.092
   48    HB3  LEU   5           HB1      LEU   5 117.758   8.208   5.774
   49    HG   LEU   5           HG       LEU   5 116.745   6.029   6.470
   50   HD11  LEU   5          HD11      LEU   5 116.661   5.708   3.500
   51   HD12  LEU   5          HD12      LEU   5 115.523   5.153   4.720
   52   HD13  LEU   5          HD13      LEU   5 117.029   4.282   4.466
   53   HD21  LEU   5          HD21      LEU   5 119.062   5.970   6.661
   54   HD22  LEU   5          HD22      LEU   5 119.312   6.203   4.930
   55   HD23  LEU   5          HD23      LEU   5 118.782   4.636   5.541
   56    H    SER   6           HN       SER   6 115.704   9.958   6.738
   57    HA   SER   6           HA       SER   6 115.308   8.615   9.152
   58    HB2  SER   6           HB2      SER   6 115.855  11.113   8.696
   59    HB3  SER   6           HB1      SER   6 114.107  11.325   8.648
   60    HG   SER   6           HG       SER   6 115.794  10.664  10.764
   61    H    GLN   7           HN       GLN   7 113.029   9.500   6.661
   62    HA   GLN   7           HA       GLN   7 110.628   9.362   8.074
   63    HB2  GLN   7           HB2      GLN   7 110.822  10.120   5.718
   64    HB3  GLN   7           HB1      GLN   7 111.140   8.455   5.229
   65    HG2  GLN   7           HG2      GLN   7 108.770   8.992   4.896
   66    HG3  GLN   7           HG1      GLN   7 108.941   7.775   6.155
   67   HE21  GLN   7          HE21      GLN   7 107.111   8.315   7.443
   68   HE22  GLN   7          HE22      GLN   7 106.919   9.823   8.197
   69    H    HIS   8           HN       HIS   8 112.459   6.775   6.444
   70    HA   HIS   8           HA       HIS   8 110.685   4.665   6.981
   71    HB2  HIS   8           HB2      HIS   8 113.668   4.758   6.563
   72    HB3  HIS   8           HB1      HIS   8 112.799   3.243   6.801
   73    HD1  HIS   8           HD1      HIS   8 110.904   2.681   5.006
   74    HD2  HIS   8           HD2      HIS   8 113.413   5.851   3.994
   75    HE1  HIS   8           HE1      HIS   8 110.565   3.100   2.532
   76    HE2  HIS   8           HE2      HIS   8 112.090   5.030   1.899
   77    H    GLU   9           HN       GLU   9 113.510   5.835   8.812
   78    HA   GLU   9           HA       GLU   9 113.522   4.013  10.904
   79    HB2  GLU   9           HB2      GLU   9 115.190   5.826  10.604
   80    HB3  GLU   9           HB1      GLU   9 113.983   6.998  11.136
   81    HG2  GLU   9           HG2      GLU   9 113.800   5.846  13.304
   82    HG3  GLU   9           HG1      GLU   9 114.979   4.648  12.772
   83    H    ARG  10           HN       ARG  10 111.358   6.727  10.349
   84    HA   ARG  10           HA       ARG  10 110.079   6.512  12.938
   85    HB2  ARG  10           HB2      ARG  10 110.130   8.678  11.895
   86    HB3  ARG  10           HB1      ARG  10 109.349   8.057  10.447
   87    HG2  ARG  10           HG2      ARG  10 107.309   7.651  11.641
   88    HG3  ARG  10           HG1      ARG  10 108.093   7.956  13.191
   89    HD2  ARG  10           HD2      ARG  10 106.792   9.912  12.535
   90    HD3  ARG  10           HD1      ARG  10 108.510  10.297  12.496
   91    HE   ARG  10           HE       ARG  10 107.653   9.407   9.937
   92   HH11  ARG  10          HH11      ARG  10 107.374  10.973   8.315
   93   HH12  ARG  10          HH12      ARG  10 107.191  12.639   8.749
   94   HH21  ARG  10          HH21      ARG  10 107.444  12.053  12.157
   95   HH22  ARG  10          HH22      ARG  10 107.230  13.251  10.925
   96    H    TYR  11           HN       TYR  11 109.157   5.797   9.579
   97    HA   TYR  11           HA       TYR  11 106.625   4.755  10.017
   98    HB2  TYR  11           HB2      TYR  11 107.446   5.094   7.766
   99    HB3  TYR  11           HB1      TYR  11 108.728   3.908   8.008
  100    HD1  TYR  11           HD1      TYR  11 108.206   1.501   8.180
  101    HD2  TYR  11           HD2      TYR  11 105.156   4.412   7.373
  102    HE1  TYR  11           HE1      TYR  11 106.671  -0.308   7.461
  103    HE2  TYR  11           HE2      TYR  11 103.617   2.602   6.661
  104    HH   TYR  11           HH       TYR  11 103.315   0.402   6.505
  105    H    VAL  12           HN       VAL  12 109.775   3.143  10.258
  106    HA   VAL  12           HA       VAL  12 108.803   0.525  10.693
  107    HB   VAL  12           HB       VAL  12 111.375   1.954  11.289
  108   HG11  VAL  12          HG11      VAL  12 111.299   0.597  13.221
  109   HG12  VAL  12          HG12      VAL  12 112.173  -0.394  12.055
  110   HG13  VAL  12          HG13      VAL  12 110.471  -0.713  12.377
  111   HG21  VAL  12          HG21      VAL  12 110.493   0.760   9.065
  112   HG22  VAL  12          HG22      VAL  12 111.102  -0.675   9.891
  113   HG23  VAL  12          HG23      VAL  12 112.189   0.672   9.543
  114    H    GLU  13           HN       GLU  13 110.095   2.817  13.120
  115    HA   GLU  13           HA       GLU  13 109.178   1.258  15.317
  116    HB2  GLU  13           HB2      GLU  13 111.074   2.854  15.452
  117    HB3  GLU  13           HB1      GLU  13 109.937   4.188  15.257
  118    HG2  GLU  13           HG2      GLU  13 108.770   3.529  17.309
  119    HG3  GLU  13           HG1      GLU  13 109.838   2.139  17.491
  120    H    GLN  14           HN       GLN  14 107.950   4.188  13.774
  121    HA   GLN  14           HA       GLN  14 105.788   4.594  15.541
  122    HB2  GLN  14           HB2      GLN  14 106.710   6.307  13.959
  123    HB3  GLN  14           HB1      GLN  14 105.936   5.437  12.636
  124    HG2  GLN  14           HG2      GLN  14 104.477   7.256  13.357
  125    HG3  GLN  14           HG1      GLN  14 103.743   5.709  13.812
  126   HE21  GLN  14          HE21      GLN  14 102.609   6.428  15.696
  127   HE22  GLN  14          HE22      GLN  14 103.398   7.043  17.066
  128    H    LEU  15           HN       LEU  15 105.353   3.814  12.112
  129    HA   LEU  15           HA       LEU  15 102.859   2.910  12.082
  130    HB2  LEU  15           HB2      LEU  15 104.739   2.768  10.236
  131    HB3  LEU  15           HB1      LEU  15 104.891   1.100  10.806
  132    HG   LEU  15           HG       LEU  15 103.322   1.234   8.912
  133   HD11  LEU  15          HD11      LEU  15 102.965  -0.242  11.048
  134   HD12  LEU  15          HD12      LEU  15 101.704  -0.132   9.839
  135   HD13  LEU  15          HD13      LEU  15 101.587   0.827  11.307
  136   HD21  LEU  15          HD21      LEU  15 101.275   2.696  10.462
  137   HD22  LEU  15          HD22      LEU  15 101.663   2.794   8.748
  138   HD23  LEU  15          HD23      LEU  15 102.634   3.680   9.919
  139    H    LYS  16           HN       LYS  16 105.592   0.918  13.163
  140    HA   LYS  16           HA       LYS  16 104.215  -1.439  13.705
  141    HB2  LYS  16           HB2      LYS  16 106.663  -0.156  14.827
  142    HB3  LYS  16           HB1      LYS  16 106.012  -1.575  15.635
  143    HG2  LYS  16           HG2      LYS  16 106.075  -2.817  13.495
  144    HG3  LYS  16           HG1      LYS  16 106.744  -1.396  12.700
  145    HD2  LYS  16           HD2      LYS  16 108.720  -1.476  14.133
  146    HD3  LYS  16           HD1      LYS  16 108.046  -2.841  15.023
  147    HE2  LYS  16           HE2      LYS  16 107.924  -4.019  12.727
  148    HE3  LYS  16           HE1      LYS  16 109.031  -2.760  12.182
  149    HZ1  LYS  16           HZ1      LYS  16 110.353  -4.548  12.909
  150    HZ2  LYS  16           HZ2      LYS  16 109.456  -4.744  14.338
  151    HZ3  LYS  16           HZ3      LYS  16 110.445  -3.381  14.133
  152    H    GLN  17           HN       GLN  17 104.670   1.394  15.756
  153    HA   GLN  17           HA       GLN  17 103.322   0.434  18.057
  154    HB2  GLN  17           HB2      GLN  17 103.730   3.228  16.990
  155    HB3  GLN  17           HB1      GLN  17 102.932   2.904  18.523
  156    HG2  GLN  17           HG2      GLN  17 104.903   1.752  19.358
  157    HG3  GLN  17           HG1      GLN  17 105.699   1.916  17.802
  158   HE21  GLN  17          HE21      GLN  17 107.226   3.018  19.661
  159   HE22  GLN  17          HE22      GLN  17 107.052   4.703  19.761
  160    H    ALA  18           HN       ALA  18 102.105   2.539  15.430
  161    HA   ALA  18           HA       ALA  18  99.421   2.589  16.191
  162    HB1  ALA  18           HB1      ALA  18  99.168   2.754  13.530
  163    HB2  ALA  18           HB2      ALA  18 100.907   3.022  13.651
  164    HB3  ALA  18           HB3      ALA  18  99.790   4.090  14.500
  165    H    LEU  19           HN       LEU  19 101.280   0.034  15.106
  166    HA   LEU  19           HA       LEU  19  99.040  -1.513  14.007
  167    HB2  LEU  19           HB2      LEU  19 101.921  -1.689  13.844
  168    HB3  LEU  19           HB1      LEU  19 101.203  -3.251  14.224
  169    HG   LEU  19           HG       LEU  19 100.299  -1.446  11.964
  170   HD11  LEU  19          HD11      LEU  19 102.621  -2.449  11.721
  171   HD12  LEU  19          HD12      LEU  19 101.467  -2.934  10.479
  172   HD13  LEU  19          HD13      LEU  19 101.861  -4.038  11.795
  173   HD21  LEU  19          HD21      LEU  19  99.172  -3.775  13.259
  174   HD22  LEU  19          HD22      LEU  19  99.562  -4.150  11.581
  175   HD23  LEU  19          HD23      LEU  19  98.494  -2.799  11.959
  176    H    LYS  20           HN       LYS  20 101.382  -1.809  16.671
  177    HA   LYS  20           HA       LYS  20 100.564  -4.070  17.914
  178    HB2  LYS  20           HB2      LYS  20 102.378  -2.556  18.718
  179    HB3  LYS  20           HB1      LYS  20 101.138  -1.480  19.363
  180    HG2  LYS  20           HG2      LYS  20 100.298  -3.277  20.809
  181    HG3  LYS  20           HG1      LYS  20 101.496  -4.387  20.143
  182    HD2  LYS  20           HD2      LYS  20 103.310  -2.928  20.978
  183    HD3  LYS  20           HD1      LYS  20 102.105  -1.840  21.670
  184    HE2  LYS  20           HE2      LYS  20 101.270  -3.649  23.108
  185    HE3  LYS  20           HE1      LYS  20 102.438  -4.765  22.399
  186    HZ1  LYS  20           HZ1      LYS  20 102.876  -3.282  24.598
  187    HZ2  LYS  20           HZ2      LYS  20 103.588  -2.315  23.394
  188    HZ3  LYS  20           HZ3      LYS  20 104.096  -3.921  23.610
  189    H    THR  21           HN       THR  21  99.010  -0.905  18.140
  190    HA   THR  21           HA       THR  21  97.050  -1.541  20.050
  191    HB   THR  21           HB       THR  21  96.968   0.700  19.685
  192    HG1  THR  21           HG1      THR  21  95.330   1.131  17.934
  193   HG21  THR  21          HG21      THR  21  97.185   1.537  17.178
  194   HG22  THR  21          HG22      THR  21  97.888  -0.056  16.949
  195   HG23  THR  21          HG23      THR  21  98.612   1.066  18.097
  196    H    ARG  22           HN       ARG  22  97.226  -2.202  16.616
  197    HA   ARG  22           HA       ARG  22  94.483  -2.933  16.284
  198    HB2  ARG  22           HB2      ARG  22  96.891  -3.743  14.642
  199    HB3  ARG  22           HB1      ARG  22  95.213  -3.866  14.145
  200    HG2  ARG  22           HG2      ARG  22  96.522  -1.254  14.931
  201    HG3  ARG  22           HG1      ARG  22  96.421  -1.816  13.257
  202    HD2  ARG  22           HD2      ARG  22  93.885  -2.046  13.694
  203    HD3  ARG  22           HD1      ARG  22  94.164  -1.063  15.122
  204    HE   ARG  22           HE       ARG  22  94.379  -0.185  12.347
  205   HH11  ARG  22          HH11      ARG  22  94.511   2.068  12.104
  206   HH12  ARG  22          HH12      ARG  22  94.766   3.072  13.494
  207   HH21  ARG  22          HH21      ARG  22  94.866   0.418  15.722
  208   HH22  ARG  22          HH22      ARG  22  94.966   2.135  15.541
  209    H    GLY  23           HN       GLY  23  96.984  -4.376  17.950
  210    HA2  GLY  23           HA2      GLY  23  96.483  -6.357  19.277
  211    HA3  GLY  23           HA1      GLY  23  95.563  -6.975  17.909
  212    H    VAL  24           HN       VAL  24  98.556  -5.417  17.227
  213    HA   VAL  24           HA       VAL  24  99.720  -8.021  16.523
  214    HB   VAL  24           HB       VAL  24 100.604  -5.275  15.625
  215   HG11  VAL  24          HG11      VAL  24 101.399  -8.094  15.002
  216   HG12  VAL  24          HG12      VAL  24 102.401  -6.656  15.163
  217   HG13  VAL  24          HG13      VAL  24 101.447  -6.907  13.703
  218   HG21  VAL  24          HG21      VAL  24  99.463  -6.088  13.442
  219   HG22  VAL  24          HG22      VAL  24  98.410  -5.522  14.738
  220   HG23  VAL  24          HG23      VAL  24  98.627  -7.252  14.471
  221    H    LYS  25           HN       LYS  25 102.218  -8.003  16.632
  222    HA   LYS  25           HA       LYS  25 103.019  -6.837  19.222
  223    HB2  LYS  25           HB2      LYS  25 103.887  -9.415  17.902
  224    HB3  LYS  25           HB1      LYS  25 104.633  -8.749  19.354
  225    HG2  LYS  25           HG2      LYS  25 102.460  -8.823  20.515
  226    HG3  LYS  25           HG1      LYS  25 101.705  -9.484  19.063
  227    HD2  LYS  25           HD2      LYS  25 103.162 -11.456  19.177
  228    HD3  LYS  25           HD1      LYS  25 103.969 -10.794  20.598
  229    HE2  LYS  25           HE2      LYS  25 102.362 -12.299  21.478
  230    HE3  LYS  25           HE1      LYS  25 101.628 -10.706  21.670
  231    HZ1  LYS  25           HZ1      LYS  25 100.005 -12.138  20.736
  232    HZ2  LYS  25           HZ2      LYS  25 101.079 -12.701  19.544
  233    HZ3  LYS  25           HZ3      LYS  25 100.514 -11.100  19.495
  234    H    VAL  26           HN       VAL  26 105.034  -5.862  19.388
  235    HA   VAL  26           HA       VAL  26 106.501  -5.485  16.847
  236    HB   VAL  26           HB       VAL  26 106.968  -3.192  17.507
  237   HG11  VAL  26          HG11      VAL  26 104.039  -3.959  17.683
  238   HG12  VAL  26          HG12      VAL  26 104.936  -3.538  16.226
  239   HG13  VAL  26          HG13      VAL  26 104.621  -2.310  17.452
  240   HG21  VAL  26          HG21      VAL  26 105.913  -4.191  20.067
  241   HG22  VAL  26          HG22      VAL  26 105.239  -2.630  19.600
  242   HG23  VAL  26          HG23      VAL  26 106.985  -2.826  19.753
  243    H    LYS  27           HN       LYS  27 107.899  -7.212  17.486
  244    HA   LYS  27           HA       LYS  27 109.665  -6.594  19.769
  245    HB2  LYS  27           HB2      LYS  27 110.363  -9.008  19.530
  246    HB3  LYS  27           HB1      LYS  27 108.690  -8.759  20.034
  247    HG2  LYS  27           HG2      LYS  27 107.871  -9.186  17.816
  248    HG3  LYS  27           HG1      LYS  27 109.503  -9.156  17.145
  249    HD2  LYS  27           HD2      LYS  27 110.098 -11.183  18.292
  250    HD3  LYS  27           HD1      LYS  27 108.599 -11.162  19.226
  251    HE2  LYS  27           HE2      LYS  27 107.279 -11.674  17.325
  252    HE3  LYS  27           HE1      LYS  27 108.582 -11.271  16.208
  253    HZ1  LYS  27           HZ1      LYS  27 109.185 -13.385  16.263
  254    HZ2  LYS  27           HZ2      LYS  27 108.002 -13.745  17.428
  255    HZ3  LYS  27           HZ3      LYS  27 109.548 -13.235  17.913
  256    H    TYR  28           HN       TYR  28 111.978  -7.272  19.447
  257    HA   TYR  28           HA       TYR  28 113.155  -5.867  17.338
  258    HB2  TYR  28           HB2      TYR  28 114.359  -6.434  19.400
  259    HB3  TYR  28           HB1      TYR  28 114.310  -8.143  18.969
  260    HD1  TYR  28           HD1      TYR  28 115.351  -4.836  17.534
  261    HD2  TYR  28           HD2      TYR  28 116.110  -9.056  17.789
  262    HE1  TYR  28           HE1      TYR  28 117.406  -4.550  16.174
  263    HE2  TYR  28           HE2      TYR  28 118.162  -8.770  16.429
  264    HH   TYR  28           HH       TYR  28 119.586  -5.788  15.858
  265    H    ALA  29           HN       ALA  29 112.277  -9.271  17.623
  266    HA   ALA  29           HA       ALA  29 113.575 -10.255  15.348
  267    HB1  ALA  29           HB1      ALA  29 112.136 -11.417  17.273
  268    HB2  ALA  29           HB2      ALA  29 112.437 -12.194  15.722
  269    HB3  ALA  29           HB3      ALA  29 110.908 -11.367  16.009
  270    H    ASP  30           HN       ASP  30 110.848  -8.209  15.668
  271    HA   ASP  30           HA       ASP  30 109.584  -8.818  13.160
  272    HB2  ASP  30           HB2      ASP  30 109.374  -6.404  14.956
  273    HB3  ASP  30           HB1      ASP  30 108.371  -6.675  13.550
  274    H    LEU  31           HN       LEU  31 111.920  -6.403  14.262
  275    HA   LEU  31           HA       LEU  31 112.014  -4.905  11.847
  276    HB2  LEU  31           HB2      LEU  31 113.912  -5.286  14.172
  277    HB3  LEU  31           HB1      LEU  31 114.388  -4.332  12.767
  278    HG   LEU  31           HG       LEU  31 111.985  -3.224  13.188
  279   HD11  LEU  31          HD11      LEU  31 111.593  -4.800  15.132
  280   HD12  LEU  31          HD12      LEU  31 111.456  -3.089  15.543
  281   HD13  LEU  31          HD13      LEU  31 112.911  -3.983  15.971
  282   HD21  LEU  31          HD21      LEU  31 114.111  -2.019  13.117
  283   HD22  LEU  31          HD22      LEU  31 114.500  -2.579  14.744
  284   HD23  LEU  31          HD23      LEU  31 113.147  -1.476  14.491
  285    H    LEU  32           HN       LEU  32 113.840  -7.724  12.997
  286    HA   LEU  32           HA       LEU  32 115.764  -7.821  10.963
  287    HB2  LEU  32           HB2      LEU  32 114.456 -10.221  12.271
  288    HB3  LEU  32           HB1      LEU  32 116.079 -10.129  11.582
  289    HG   LEU  32           HG       LEU  32 115.105  -8.516  13.970
  290   HD11  LEU  32          HD11      LEU  32 115.518 -11.074  14.201
  291   HD12  LEU  32          HD12      LEU  32 116.323  -9.997  15.342
  292   HD13  LEU  32          HD13      LEU  32 117.222 -10.672  13.983
  293   HD21  LEU  32          HD21      LEU  32 116.785  -7.210  12.972
  294   HD22  LEU  32          HD22      LEU  32 117.672  -8.617  12.383
  295   HD23  LEU  32          HD23      LEU  32 117.712  -8.203  14.094
  296    H    LYS  33           HN       LYS  33 112.654  -9.550  11.122
  297    HA   LYS  33           HA       LYS  33 112.888 -10.530   8.444
  298    HB2  LYS  33           HB2      LYS  33 111.616 -11.725  10.211
  299    HB3  LYS  33           HB1      LYS  33 110.441 -10.411  10.225
  300    HG2  LYS  33           HG2      LYS  33 109.927 -10.827   7.851
  301    HG3  LYS  33           HG1      LYS  33 111.124 -12.120   7.813
  302    HD2  LYS  33           HD2      LYS  33 109.854 -13.344   9.544
  303    HD3  LYS  33           HD1      LYS  33 108.650 -12.055   9.565
  304    HE2  LYS  33           HE2      LYS  33 108.151 -12.467   7.189
  305    HE3  LYS  33           HE1      LYS  33 109.364 -13.746   7.151
  306    HZ1  LYS  33           HZ1      LYS  33 107.175 -14.673   7.475
  307    HZ2  LYS  33           HZ2      LYS  33 106.922 -13.696   8.841
  308    HZ3  LYS  33           HZ3      LYS  33 108.107 -14.913   8.871
  309    H    PHE  34           HN       PHE  34 110.707  -8.151   9.970
  310    HA   PHE  34           HA       PHE  34 109.341  -7.381   7.689
  311    HB2  PHE  34           HB2      PHE  34 108.809  -6.713  10.061
  312    HB3  PHE  34           HB1      PHE  34 110.119  -5.537   9.961
  313    HD1  PHE  34           HD1      PHE  34 109.901  -3.515   8.660
  314    HD2  PHE  34           HD2      PHE  34 106.808  -6.494   8.606
  315    HE1  PHE  34           HE1      PHE  34 108.381  -1.916   7.527
  316    HE2  PHE  34           HE2      PHE  34 105.288  -4.896   7.472
  317    HZ   PHE  34           HZ       PHE  34 106.075  -2.606   6.933
  318    H    PHE  35           HN       PHE  35 112.403  -6.167   8.962
  319    HA   PHE  35           HA       PHE  35 112.643  -4.057   7.022
  320    HB2  PHE  35           HB2      PHE  35 113.749  -4.213   9.338
  321    HB3  PHE  35           HB1      PHE  35 114.945  -5.254   8.553
  322    HD1  PHE  35           HD1      PHE  35 115.949  -4.282   6.307
  323    HD2  PHE  35           HD2      PHE  35 114.007  -1.912   9.325
  324    HE1  PHE  35           HE1      PHE  35 117.063  -2.256   5.425
  325    HE2  PHE  35           HE2      PHE  35 115.131   0.118   8.437
  326    HZ   PHE  35           HZ       PHE  35 116.658  -0.055   6.491
  327    H    ASP  36           HN       ASP  36 114.028  -7.314   7.384
  328    HA   ASP  36           HA       ASP  36 115.602  -7.130   4.995
  329    HB2  ASP  36           HB2      ASP  36 114.794  -9.466   6.724
  330    HB3  ASP  36           HB1      ASP  36 115.861  -9.611   5.333
  331    H    PHE  37           HN       PHE  37 112.331  -7.953   5.717
  332    HA   PHE  37           HA       PHE  37 111.758  -9.647   3.536
  333    HB2  PHE  37           HB2      PHE  37 110.252  -9.403   5.470
  334    HB3  PHE  37           HB1      PHE  37 109.918  -7.737   5.000
  335    HD1  PHE  37           HD1      PHE  37 109.657 -11.282   3.884
  336    HD2  PHE  37           HD2      PHE  37 108.314  -7.242   3.317
  337    HE1  PHE  37           HE1      PHE  37 107.888 -12.083   2.341
  338    HE2  PHE  37           HE2      PHE  37 106.550  -8.047   1.772
  339    HZ   PHE  37           HZ       PHE  37 106.338 -10.466   1.282
  340    H    VAL  38           HN       VAL  38 111.201  -6.146   3.955
  341    HA   VAL  38           HA       VAL  38 110.420  -5.805   1.199
  342    HB   VAL  38           HB       VAL  38 110.711  -3.321   1.835
  343   HG11  VAL  38          HG11      VAL  38 108.613  -3.315   3.013
  344   HG12  VAL  38          HG12      VAL  38 108.864  -4.962   3.588
  345   HG13  VAL  38          HG13      VAL  38 108.556  -4.663   1.876
  346   HG21  VAL  38          HG21      VAL  38 111.444  -2.769   3.917
  347   HG22  VAL  38          HG22      VAL  38 112.153  -4.381   3.915
  348   HG23  VAL  38          HG23      VAL  38 110.588  -4.111   4.672
  349    H    LYS  39           HN       LYS  39 113.376  -5.332   3.050
  350    HA   LYS  39           HA       LYS  39 114.869  -3.875   1.179
  351    HB2  LYS  39           HB2      LYS  39 115.562  -4.387   3.536
  352    HB3  LYS  39           HB1      LYS  39 115.927  -6.031   3.017
  353    HG2  LYS  39           HG2      LYS  39 117.547  -5.185   1.381
  354    HG3  LYS  39           HG1      LYS  39 117.171  -3.529   1.856
  355    HD2  LYS  39           HD2      LYS  39 117.954  -3.985   4.139
  356    HD3  LYS  39           HD1      LYS  39 118.306  -5.655   3.697
  357    HE2  LYS  39           HE2      LYS  39 119.931  -4.867   2.014
  358    HE3  LYS  39           HE1      LYS  39 119.585  -3.197   2.462
  359    HZ1  LYS  39           HZ1      LYS  39 120.372  -5.095   4.557
  360    HZ2  LYS  39           HZ2      LYS  39 120.627  -3.418   4.467
  361    HZ3  LYS  39           HZ3      LYS  39 121.572  -4.473   3.530
  362    H    ASP  40           HN       ASP  40 114.072  -7.289   1.309
  363    HA   ASP  40           HA       ASP  40 115.923  -8.489  -0.284
  364    HB2  ASP  40           HB2      ASP  40 112.917  -8.819  -0.330
  365    HB3  ASP  40           HB1      ASP  40 114.027  -9.897  -1.176
  366    H    THR  41           HN       THR  41 112.923  -7.096  -1.637
  367    HA   THR  41           HA       THR  41 114.417  -6.562  -4.133
  368    HB   THR  41           HB       THR  41 112.200  -6.717  -5.262
  369    HG1  THR  41           HG1      THR  41 110.495  -7.555  -4.060
  370   HG21  THR  41          HG21      THR  41 113.086  -9.116  -3.637
  371   HG22  THR  41          HG22      THR  41 113.670  -8.660  -5.237
  372   HG23  THR  41          HG23      THR  41 112.002  -9.192  -5.026
  373    H    CYS  42           HN       CYS  42 113.046  -5.112  -1.482
  374    HA   CYS  42           HA       CYS  42 112.284  -2.980  -1.003
  375    HB2  CYS  42           HB2      CYS  42 113.937  -2.060  -3.328
  376    HB3  CYS  42           HB1      CYS  42 113.674  -1.270  -1.774
  377    HG   CYS  42           HG       CYS  42 116.054  -2.713  -2.108
  378    HA   PRO  43           HA       PRO  43 109.367  -3.048  -4.658
  379    HB2  PRO  43           HB2      PRO  43 107.309  -3.698  -2.683
  380    HB3  PRO  43           HB1      PRO  43 107.761  -4.571  -4.158
  381    HG2  PRO  43           HG2      PRO  43 108.272  -5.525  -1.699
  382    HG3  PRO  43           HG1      PRO  43 109.309  -5.856  -3.088
  383    HD2  PRO  43           HD2      PRO  43 109.721  -3.890  -0.849
  384    HD3  PRO  43           HD1      PRO  43 110.876  -4.973  -1.651
  385    H    TRP  44           HN       TRP  44 109.437  -1.606  -1.516
  386    HA   TRP  44           HA       TRP  44 107.267   0.192  -1.763
  387    HB2  TRP  44           HB2      TRP  44 109.357  -0.340   0.121
  388    HB3  TRP  44           HB1      TRP  44 109.278   1.393  -0.166
  389    HD1  TRP  44           HD1      TRP  44 107.028   2.660   0.438
  390    HE1  TRP  44           HE1      TRP  44 105.053   2.022   1.970
  391    HE3  TRP  44           HE3      TRP  44 107.916  -2.339   0.988
  392    HZ2  TRP  44           HZ2      TRP  44 103.992  -0.300   3.256
  393    HZ3  TRP  44           HZ3      TRP  44 106.408  -3.736   2.372
  394    HH2  TRP  44           HH2      TRP  44 104.450  -2.728   3.505
  395    H    PHE  45           HN       PHE  45 109.083   0.046  -4.119
  396    HA   PHE  45           HA       PHE  45 109.928   1.440  -5.692
  397    HB2  PHE  45           HB2      PHE  45 107.757   2.747  -4.581
  398    HB3  PHE  45           HB1      PHE  45 109.027   3.964  -4.636
  399    HD1  PHE  45           HD1      PHE  45 110.598   3.408  -6.950
  400    HD2  PHE  45           HD2      PHE  45 106.357   2.953  -6.437
  401    HE1  PHE  45           HE1      PHE  45 110.277   3.642  -9.397
  402    HE2  PHE  45           HE2      PHE  45 106.036   3.188  -8.883
  403    HZ   PHE  45           HZ       PHE  45 107.996   3.532 -10.365
  404    HA   PRO  46           HA       PRO  46 113.423   2.675  -3.005
  405    HB2  PRO  46           HB2      PRO  46 115.383   1.799  -4.692
  406    HB3  PRO  46           HB1      PRO  46 114.527   0.741  -3.555
  407    HG2  PRO  46           HG2      PRO  46 114.198   1.037  -6.479
  408    HG3  PRO  46           HG1      PRO  46 114.001  -0.389  -5.452
  409    HD2  PRO  46           HD2      PRO  46 111.946   1.161  -6.473
  410    HD3  PRO  46           HD1      PRO  46 111.788   0.044  -5.110
  411    H    GLN  47           HN       GLN  47 112.394   3.653  -6.096
  412    HA   GLN  47           HA       GLN  47 114.562   5.539  -6.570
  413    HB2  GLN  47           HB2      GLN  47 111.910   5.117  -7.972
  414    HB3  GLN  47           HB1      GLN  47 113.173   6.218  -8.516
  415    HG2  GLN  47           HG2      GLN  47 114.743   4.373  -8.775
  416    HG3  GLN  47           HG1      GLN  47 113.565   3.239  -8.117
  417   HE21  GLN  47          HE21      GLN  47 114.232   2.356 -10.488
  418   HE22  GLN  47          HE22      GLN  47 113.166   2.821 -11.725
  419    H    GLU  48           HN       GLU  48 111.041   5.823  -6.046
  420    HA   GLU  48           HA       GLU  48 111.375   8.635  -5.292
  421    HB2  GLU  48           HB2      GLU  48 108.881   8.607  -5.193
  422    HB3  GLU  48           HB1      GLU  48 109.524   8.137  -6.764
  423    HG2  GLU  48           HG2      GLU  48 109.295   5.748  -6.097
  424    HG3  GLU  48           HG1      GLU  48 108.552   6.270  -4.588
  425    H    GLY  49           HN       GLY  49 110.683   5.524  -3.855
  426    HA2  GLY  49           HA2      GLY  49 110.760   4.881  -1.622
  427    HA3  GLY  49           HA1      GLY  49 111.206   6.527  -1.209
  428    H    THR  50           HN       THR  50 108.373   4.804  -2.541
  429    HA   THR  50           HA       THR  50 106.689   6.121  -0.520
  430    HB   THR  50           HB       THR  50 106.681   7.355  -2.778
  431    HG1  THR  50           HG1      THR  50 104.676   7.906  -2.325
  432   HG21  THR  50          HG21      THR  50 105.471   6.377  -4.581
  433   HG22  THR  50          HG22      THR  50 104.907   5.038  -3.583
  434   HG23  THR  50          HG23      THR  50 106.611   5.134  -4.056
  435    H    ILE  51           HN       ILE  51 104.421   5.160  -0.581
  436    HA   ILE  51           HA       ILE  51 104.675   2.273  -0.532
  437    HB   ILE  51           HB       ILE  51 102.100   3.715  -0.057
  438   HG12  ILE  51          HG12      ILE  51 104.591   3.796   1.635
  439   HG13  ILE  51          HG11      ILE  51 103.496   5.118   1.213
  440   HG21  ILE  51          HG21      ILE  51 101.646   1.904   1.347
  441   HG22  ILE  51          HG22      ILE  51 103.344   1.528   1.584
  442   HG23  ILE  51          HG23      ILE  51 102.563   1.146   0.051
  443   HD11  ILE  51          HD11      ILE  51 103.022   2.867   3.166
  444   HD12  ILE  51          HD12      ILE  51 101.711   3.867   2.536
  445   HD13  ILE  51          HD13      ILE  51 103.008   4.599   3.476
  446    H    ASP  52           HN       ASP  52 103.601   0.814  -1.853
  447    HA   ASP  52           HA       ASP  52 101.906   1.884  -3.995
  448    HB2  ASP  52           HB2      ASP  52 104.177   1.755  -4.930
  449    HB3  ASP  52           HB1      ASP  52 104.282   0.074  -4.426
  450    H    ILE  53           HN       ILE  53 100.096   0.759  -4.028
  451    HA   ILE  53           HA       ILE  53  99.760  -1.678  -2.564
  452    HB   ILE  53           HB       ILE  53  97.882  -0.473  -4.608
  453   HG12  ILE  53          HG12      ILE  53  98.478   1.231  -2.956
  454   HG13  ILE  53          HG11      ILE  53  96.845   0.666  -2.618
  455   HG21  ILE  53          HG21      ILE  53  96.166  -1.634  -3.246
  456   HG22  ILE  53          HG22      ILE  53  97.436  -2.272  -2.201
  457   HG23  ILE  53          HG23      ILE  53  97.346  -2.775  -3.888
  458   HD11  ILE  53          HD11      ILE  53  98.024  -1.037  -1.012
  459   HD12  ILE  53          HD12      ILE  53  97.873   0.635  -0.494
  460   HD13  ILE  53          HD13      ILE  53  99.405   0.052  -1.139
  461    H    LYS  54           HN       LYS  54 100.023  -0.888  -5.991
  462    HA   LYS  54           HA       LYS  54  99.410  -3.436  -7.014
  463    HB2  LYS  54           HB2      LYS  54 101.205  -1.262  -8.129
  464    HB3  LYS  54           HB1      LYS  54 100.664  -2.676  -9.032
  465    HG2  LYS  54           HG2      LYS  54  98.326  -2.024  -8.730
  466    HG3  LYS  54           HG1      LYS  54  98.815  -0.646  -7.744
  467    HD2  LYS  54           HD2      LYS  54 100.039   0.302  -9.658
  468    HD3  LYS  54           HD1      LYS  54  99.571  -1.078 -10.651
  469    HE2  LYS  54           HE2      LYS  54  97.184  -0.494 -10.310
  470    HE3  LYS  54           HE1      LYS  54  97.676   0.911  -9.366
  471    HZ1  LYS  54           HZ1      LYS  54  98.940   0.683 -11.955
  472    HZ2  LYS  54           HZ2      LYS  54  98.259   2.039 -11.191
  473    HZ3  LYS  54           HZ3      LYS  54  97.264   0.933 -12.013
  474    H    ARG  55           HN       ARG  55 102.620  -1.959  -6.513
  475    HA   ARG  55           HA       ARG  55 104.092  -4.293  -7.099
  476    HB2  ARG  55           HB2      ARG  55 104.781  -1.828  -5.511
  477    HB3  ARG  55           HB1      ARG  55 105.938  -3.108  -5.828
  478    HG2  ARG  55           HG2      ARG  55 105.640  -2.814  -8.239
  479    HG3  ARG  55           HG1      ARG  55 104.413  -1.580  -7.955
  480    HD2  ARG  55           HD2      ARG  55 106.078  -0.171  -6.818
  481    HD3  ARG  55           HD1      ARG  55 107.305  -1.408  -7.063
  482    HE   ARG  55           HE       ARG  55 106.056  -0.539  -9.517
  483   HH11  ARG  55          HH11      ARG  55 107.393   0.617 -10.945
  484   HH12  ARG  55          HH12      ARG  55 108.897   1.264 -10.380
  485   HH21  ARG  55          HH21      ARG  55 108.500   0.076  -7.147
  486   HH22  ARG  55          HH22      ARG  55 109.524   0.959  -8.231
  487    H    TRP  56           HN       TRP  56 102.653  -3.089  -4.129
  488    HA   TRP  56           HA       TRP  56 103.962  -4.705  -2.285
  489    HB2  TRP  56           HB2      TRP  56 102.573  -2.927  -1.491
  490    HB3  TRP  56           HB1      TRP  56 101.157  -3.605  -2.296
  491    HD1  TRP  56           HD1      TRP  56  99.618  -4.751  -0.651
  492    HE1  TRP  56           HE1      TRP  56  99.904  -6.142   1.500
  493    HE3  TRP  56           HE3      TRP  56 104.712  -4.685  -0.216
  494    HZ2  TRP  56           HZ2      TRP  56 102.016  -7.100   3.180
  495    HZ3  TRP  56           HZ3      TRP  56 105.825  -5.847   1.650
  496    HH2  TRP  56           HH2      TRP  56 104.492  -7.056   3.349
  497    H    ARG  57           HN       ARG  57 101.167  -5.355  -4.316
  498    HA   ARG  57           HA       ARG  57 100.513  -7.887  -3.200
  499    HB2  ARG  57           HB2      ARG  57  99.954  -6.687  -5.927
  500    HB3  ARG  57           HB1      ARG  57  99.304  -8.229  -5.380
  501    HG2  ARG  57           HG2      ARG  57  98.162  -7.169  -3.525
  502    HG3  ARG  57           HG1      ARG  57  98.922  -5.620  -3.890
  503    HD2  ARG  57           HD2      ARG  57  96.654  -5.626  -4.780
  504    HD3  ARG  57           HD1      ARG  57  97.804  -5.630  -6.113
  505    HE   ARG  57           HE       ARG  57  97.101  -8.298  -5.443
  506   HH11  ARG  57          HH11      ARG  57  95.650  -9.388  -6.808
  507   HH12  ARG  57          HH12      ARG  57  94.636  -8.486  -7.884
  508   HH21  ARG  57          HH21      ARG  57  95.867  -5.402  -6.882
  509   HH22  ARG  57          HH22      ARG  57  94.759  -6.230  -7.926
  510    H    ARG  58           HN       ARG  58 102.671  -6.849  -5.800
  511    HA   ARG  58           HA       ARG  58 103.243  -9.379  -6.897
  512    HB2  ARG  58           HB2      ARG  58 103.892  -7.206  -7.923
  513    HB3  ARG  58           HB1      ARG  58 105.112  -7.007  -6.664
  514    HG2  ARG  58           HG2      ARG  58 106.220  -9.078  -7.380
  515    HG3  ARG  58           HG1      ARG  58 104.980  -9.330  -8.609
  516    HD2  ARG  58           HD2      ARG  58 105.620  -7.135  -9.628
  517    HD3  ARG  58           HD1      ARG  58 106.938  -7.023  -8.465
  518    HE   ARG  58           HE       ARG  58 108.088  -8.667  -9.667
  519   HH11  ARG  58          HH11      ARG  58 108.374  -9.953 -11.516
  520   HH12  ARG  58          HH12      ARG  58 107.040 -10.233 -12.586
  521   HH21  ARG  58          HH21      ARG  58 104.810  -8.340 -10.725
  522   HH22  ARG  58          HH22      ARG  58 105.022  -9.320 -12.138
  523    H    VAL  59           HN       VAL  59 105.055  -7.526  -4.443
  524    HA   VAL  59           HA       VAL  59 106.961  -9.559  -3.900
  525    HB   VAL  59           HB       VAL  59 107.417  -7.291  -3.216
  526   HG11  VAL  59          HG11      VAL  59 105.006  -7.541  -1.390
  527   HG12  VAL  59          HG12      VAL  59 105.044  -6.631  -2.899
  528   HG13  VAL  59          HG13      VAL  59 106.053  -6.133  -1.548
  529   HG21  VAL  59          HG21      VAL  59 107.860  -9.451  -1.641
  530   HG22  VAL  59          HG22      VAL  59 106.908  -8.462  -0.528
  531   HG23  VAL  59          HG23      VAL  59 108.406  -7.828  -1.215
  532    H    GLY  60           HN       GLY  60 103.785  -8.837  -2.531
  533    HA2  GLY  60           HA2      GLY  60 103.897 -10.616  -0.340
  534    HA3  GLY  60           HA1      GLY  60 102.428 -10.027  -1.109
  535    H    ASP  61           HN       ASP  61 102.620 -11.040  -3.639
  536    HA   ASP  61           HA       ASP  61 101.876 -13.771  -3.225
  537    HB2  ASP  61           HB2      ASP  61 102.104 -11.956  -5.607
  538    HB3  ASP  61           HB1      ASP  61 101.891 -13.689  -5.845
  539    H    CYS  62           HN       CYS  62 104.712 -12.143  -4.503
  540    HA   CYS  62           HA       CYS  62 105.988 -14.417  -5.601
  541    HB2  CYS  62           HB2      CYS  62 107.110 -11.818  -4.536
  542    HB3  CYS  62           HB1      CYS  62 108.075 -13.033  -5.372
  543    HG   CYS  62           HG       CYS  62 105.764 -11.407  -6.704
  544    H    PHE  63           HN       PHE  63 105.987 -13.007  -2.364
  545    HA   PHE  63           HA       PHE  63 107.951 -14.916  -1.392
  546    HB2  PHE  63           HB2      PHE  63 106.514 -12.556  -0.266
  547    HB3  PHE  63           HB1      PHE  63 107.150 -13.762   0.852
  548    HD1  PHE  63           HD1      PHE  63 109.395 -13.641   1.507
  549    HD2  PHE  63           HD2      PHE  63 108.172 -11.777  -2.166
  550    HE1  PHE  63           HE1      PHE  63 111.669 -12.698   1.226
  551    HE2  PHE  63           HE2      PHE  63 110.446 -10.836  -2.446
  552    HZ   PHE  63           HZ       PHE  63 112.196 -11.297  -0.751
  553    H    GLN  64           HN       GLN  64 104.480 -14.316  -1.130
  554    HA   GLN  64           HA       GLN  64 103.915 -16.308   0.789
  555    HB2  GLN  64           HB2      GLN  64 102.338 -14.494   0.176
  556    HB3  GLN  64           HB1      GLN  64 102.114 -15.256  -1.400
  557    HG2  GLN  64           HG2      GLN  64 101.258 -17.287  -0.323
  558    HG3  GLN  64           HG1      GLN  64 101.534 -16.576   1.266
  559   HE21  GLN  64          HE21      GLN  64  99.672 -15.686   2.149
  560   HE22  GLN  64          HE22      GLN  64  98.389 -15.024   1.256
  561    H    ASP  65           HN       ASP  65 104.080 -16.373  -2.736
  562    HA   ASP  65           HA       ASP  65 103.116 -19.028  -3.056
  563    HB2  ASP  65           HB2      ASP  65 103.131 -17.535  -4.946
  564    HB3  ASP  65           HB1      ASP  65 104.871 -17.299  -4.799
  565    H    TYR  66           HN       TYR  66 106.430 -17.687  -3.041
  566    HA   TYR  66           HA       TYR  66 107.750 -20.182  -3.242
  567    HB2  TYR  66           HB2      TYR  66 108.904 -18.093  -3.724
  568    HB3  TYR  66           HB1      TYR  66 108.692 -17.563  -2.055
  569    HD1  TYR  66           HD1      TYR  66 110.426 -17.954  -0.539
  570    HD2  TYR  66           HD2      TYR  66 110.036 -20.490  -3.986
  571    HE1  TYR  66           HE1      TYR  66 112.505 -19.143   0.100
  572    HE2  TYR  66           HE2      TYR  66 112.117 -21.678  -3.345
  573    HH   TYR  66           HH       TYR  66 114.021 -20.654  -0.517
  574    H    TYR  67           HN       TYR  67 106.709 -18.259  -0.465
  575    HA   TYR  67           HA       TYR  67 107.922 -19.921   1.503
  576    HB2  TYR  67           HB2      TYR  67 107.306 -17.605   2.000
  577    HB3  TYR  67           HB1      TYR  67 105.610 -17.984   1.736
  578    HD1  TYR  67           HD1      TYR  67 108.525 -19.343   3.682
  579    HD2  TYR  67           HD2      TYR  67 104.329 -18.416   3.633
  580    HE1  TYR  67           HE1      TYR  67 108.331 -20.094   6.036
  581    HE2  TYR  67           HE2      TYR  67 104.138 -19.166   5.987
  582    HH   TYR  67           HH       TYR  67 106.420 -21.005   7.521
  583    H    ASN  68           HN       ASN  68 104.740 -19.817  -0.010
  584    HA   ASN  68           HA       ASN  68 103.460 -21.659   1.689
  585    HB2  ASN  68           HB2      ASN  68 102.187 -20.222   0.198
  586    HB3  ASN  68           HB1      ASN  68 102.919 -20.992  -1.207
  587   HD21  ASN  68          HD21      ASN  68 100.735 -21.690  -1.915
  588   HD22  ASN  68          HD22      ASN  68  99.970 -22.998  -1.148
  589    H    THR  69           HN       THR  69 105.319 -22.075  -1.280
  590    HA   THR  69           HA       THR  69 104.803 -24.711  -1.896
  591    HB   THR  69           HB       THR  69 107.119 -24.797  -2.813
  592    HG1  THR  69           HG1      THR  69 108.301 -23.662  -1.386
  593   HG21  THR  69          HG21      THR  69 106.666 -22.232  -3.838
  594   HG22  THR  69          HG22      THR  69 105.066 -22.819  -3.386
  595   HG23  THR  69          HG23      THR  69 106.065 -23.751  -4.503
  596    H    PHE  70           HN       PHE  70 106.371 -23.482   0.895
  597    HA   PHE  70           HA       PHE  70 107.581 -26.056   1.549
  598    HB2  PHE  70           HB2      PHE  70 107.598 -23.376   2.952
  599    HB3  PHE  70           HB1      PHE  70 108.379 -24.820   3.596
  600    HD1  PHE  70           HD1      PHE  70 108.590 -22.115   1.183
  601    HD2  PHE  70           HD2      PHE  70 110.210 -25.937   2.277
  602    HE1  PHE  70           HE1      PHE  70 110.567 -21.684  -0.247
  603    HE2  PHE  70           HE2      PHE  70 112.189 -25.507   0.846
  604    HZ   PHE  70           HZ       PHE  70 112.368 -23.380  -0.416
  605    H    GLY  71           HN       GLY  71 104.572 -25.265   1.503
  606    HA2  GLY  71           HA2      GLY  71 102.684 -25.564   2.817
  607    HA3  GLY  71           HA1      GLY  71 103.506 -27.066   3.225
  608    HA   PRO  72           HA       PRO  72 104.765 -24.169   6.774
  609    HB2  PRO  72           HB2      PRO  72 104.195 -21.512   6.636
  610    HB3  PRO  72           HB1      PRO  72 105.649 -22.222   5.908
  611    HG2  PRO  72           HG2      PRO  72 103.138 -21.323   4.620
  612    HG3  PRO  72           HG1      PRO  72 104.795 -21.306   4.013
  613    HD2  PRO  72           HD2      PRO  72 102.860 -23.202   3.316
  614    HD3  PRO  72           HD1      PRO  72 104.611 -23.371   3.090
  615    H    GLU  73           HN       GLU  73 103.562 -24.409   8.577
  616    HA   GLU  73           HA       GLU  73 100.671 -24.092   8.418
  617    HB2  GLU  73           HB2      GLU  73 101.771 -26.094   9.494
  618    HB3  GLU  73           HB1      GLU  73 102.331 -25.015  10.772
  619    HG2  GLU  73           HG2      GLU  73 100.272 -26.015  11.528
  620    HG3  GLU  73           HG1      GLU  73  99.925 -24.334  11.136
  621    H    LYS  74           HN       LYS  74 103.445 -22.494   9.768
  622    HA   LYS  74           HA       LYS  74 102.155 -20.978  11.777
  623    HB2  LYS  74           HB2      LYS  74 104.515 -19.957  10.215
  624    HB3  LYS  74           HB1      LYS  74 104.150 -19.758  11.931
  625    HG2  LYS  74           HG2      LYS  74 104.994 -22.320  10.536
  626    HG3  LYS  74           HG1      LYS  74 105.939 -21.404  11.705
  627    HD2  LYS  74           HD2      LYS  74 104.076 -21.796  13.376
  628    HD3  LYS  74           HD1      LYS  74 103.353 -22.905  12.207
  629    HE2  LYS  74           HE2      LYS  74 105.365 -24.283  12.209
  630    HE3  LYS  74           HE1      LYS  74 106.156 -23.163  13.317
  631    HZ1  LYS  74           HZ1      LYS  74 105.090 -24.029  15.049
  632    HZ2  LYS  74           HZ2      LYS  74 104.666 -25.322  14.031
  633    HZ3  LYS  74           HZ3      LYS  74 103.592 -24.026  14.254
  634    H    VAL  75           HN       VAL  75 102.934 -20.212   8.388
  635    HA   VAL  75           HA       VAL  75 102.392 -18.236   7.229
  636    HB   VAL  75           HB       VAL  75  99.803 -19.609   7.882
  637   HG11  VAL  75          HG11      VAL  75  98.931 -17.663   7.059
  638   HG12  VAL  75          HG12      VAL  75  99.380 -18.378   5.511
  639   HG13  VAL  75          HG13      VAL  75 100.441 -17.195   6.276
  640   HG21  VAL  75          HG21      VAL  75 101.305 -19.653   5.268
  641   HG22  VAL  75          HG22      VAL  75 100.188 -20.853   5.927
  642   HG23  VAL  75          HG23      VAL  75 101.818 -20.708   6.587
  643    HA   PRO  76           HA       PRO  76 101.606 -15.595  10.977
  644    HB2  PRO  76           HB2      PRO  76 103.012 -13.716   9.130
  645    HB3  PRO  76           HB1      PRO  76 103.284 -14.012  10.857
  646    HG2  PRO  76           HG2      PRO  76 104.957 -14.948   9.015
  647    HG3  PRO  76           HG1      PRO  76 104.570 -15.880  10.473
  648    HD2  PRO  76           HD2      PRO  76 103.631 -16.274   7.670
  649    HD3  PRO  76           HD1      PRO  76 103.953 -17.492   8.930
  650    H    VAL  77           HN       VAL  77  99.690 -14.619  11.168
  651    HA   VAL  77           HA       VAL  77  98.191 -13.798   8.814
  652    HB   VAL  77           HB       VAL  77  97.483 -13.673  11.748
  653   HG11  VAL  77          HG11      VAL  77  96.056 -12.938   9.230
  654   HG12  VAL  77          HG12      VAL  77  95.980 -12.189  10.824
  655   HG13  VAL  77          HG13      VAL  77  95.120 -13.698  10.518
  656   HG21  VAL  77          HG21      VAL  77  97.773 -15.910  10.054
  657   HG22  VAL  77          HG22      VAL  77  96.040 -15.567  10.042
  658   HG23  VAL  77          HG23      VAL  77  96.864 -15.867  11.571
  659    H    THR  78           HN       THR  78 100.056 -12.306  11.332
  660    HA   THR  78           HA       THR  78  99.119  -9.747  11.504
  661    HB   THR  78           HB       THR  78 101.337  -9.054  12.038
  662    HG1  THR  78           HG1      THR  78 102.631  -9.620  10.445
  663   HG21  THR  78          HG21      THR  78 102.034 -10.736  13.588
  664   HG22  THR  78          HG22      THR  78 101.330 -12.023  12.609
  665   HG23  THR  78          HG23      THR  78 100.282 -10.888  13.462
  666    H    ALA  79           HN       ALA  79 100.709 -11.249   8.762
  667    HA   ALA  79           HA       ALA  79 101.382  -8.994   7.263
  668    HB1  ALA  79           HB1      ALA  79 100.877 -11.845   6.726
  669    HB2  ALA  79           HB2      ALA  79 102.179 -10.798   6.150
  670    HB3  ALA  79           HB3      ALA  79 100.610 -10.777   5.345
  671    H    PHE  80           HN       PHE  80  98.289 -10.542   7.792
  672    HA   PHE  80           HA       PHE  80  96.870  -9.297   5.666
  673    HB2  PHE  80           HB2      PHE  80  96.048 -10.633   8.233
  674    HB3  PHE  80           HB1      PHE  80  94.860  -9.841   7.214
  675    HD1  PHE  80           HD1      PHE  80  97.626 -12.352   7.091
  676    HD2  PHE  80           HD2      PHE  80  93.961 -10.949   5.348
  677    HE1  PHE  80           HE1      PHE  80  97.581 -14.332   5.599
  678    HE2  PHE  80           HE2      PHE  80  93.916 -12.927   3.853
  679    HZ   PHE  80           HZ       PHE  80  95.725 -14.619   3.978
  680    H    SER  81           HN       SER  81  97.460  -8.425   9.046
  681    HA   SER  81           HA       SER  81  95.715  -6.226   9.198
  682    HB2  SER  81           HB2      SER  81  98.316  -6.789  10.632
  683    HB3  SER  81           HB1      SER  81  97.233  -5.462  11.045
  684    HG   SER  81           HG       SER  81  96.897  -8.230  11.320
  685    H    TYR  82           HN       TYR  82  99.069  -6.492   8.103
  686    HA   TYR  82           HA       TYR  82  99.619  -3.754   7.811
  687    HB2  TYR  82           HB2      TYR  82 100.704  -6.265   6.615
  688    HB3  TYR  82           HB1      TYR  82 101.162  -4.728   5.890
  689    HD1  TYR  82           HD1      TYR  82 101.434  -6.876   8.849
  690    HD2  TYR  82           HD2      TYR  82 102.394  -3.034   7.189
  691    HE1  TYR  82           HE1      TYR  82 103.067  -6.498  10.677
  692    HE2  TYR  82           HE2      TYR  82 104.030  -2.655   9.016
  693    HH   TYR  82           HH       TYR  82 104.361  -3.495  11.389
  694    H    TRP  83           HN       TRP  83  98.284  -6.102   5.495
  695    HA   TRP  83           HA       TRP  83  98.128  -4.443   3.264
  696    HB2  TRP  83           HB2      TRP  83  96.471  -6.781   4.191
  697    HB3  TRP  83           HB1      TRP  83  96.088  -5.934   2.692
  698    HD1  TRP  83           HD1      TRP  83  99.572  -6.779   4.127
  699    HE1  TRP  83           HE1      TRP  83 100.857  -8.152   2.366
  700    HE3  TRP  83           HE3      TRP  83  95.938  -7.282   0.574
  701    HZ2  TRP  83           HZ2      TRP  83 100.407  -9.307  -0.209
  702    HZ3  TRP  83           HZ3      TRP  83  96.395  -8.522  -1.522
  703    HH2  TRP  83           HH2      TRP  83  98.623  -9.536  -1.918
  704    H    ASN  84           HN       ASN  84  95.693  -4.971   5.805
  705    HA   ASN  84           HA       ASN  84  93.766  -3.214   4.715
  706    HB2  ASN  84           HB2      ASN  84  94.230  -4.359   7.464
  707    HB3  ASN  84           HB1      ASN  84  92.935  -3.201   7.169
  708   HD21  ASN  84          HD21      ASN  84  93.440  -4.948   4.326
  709   HD22  ASN  84          HD22      ASN  84  92.240  -6.129   4.539
  710    H    LEU  85           HN       LEU  85  96.353  -2.717   7.100
  711    HA   LEU  85           HA       LEU  85  95.604  -0.060   7.727
  712    HB2  LEU  85           HB2      LEU  85  96.997  -1.476   9.211
  713    HB3  LEU  85           HB1      LEU  85  98.292  -1.417   8.017
  714    HG   LEU  85           HG       LEU  85  98.351   1.054   8.215
  715   HD11  LEU  85          HD11      LEU  85  97.081   1.761  10.486
  716   HD12  LEU  85          HD12      LEU  85  95.994   0.483   9.951
  717   HD13  LEU  85          HD13      LEU  85  96.313   1.864   8.902
  718   HD21  LEU  85          HD21      LEU  85  99.494  -0.731   9.870
  719   HD22  LEU  85          HD22      LEU  85  98.505   0.126  11.049
  720   HD23  LEU  85          HD23      LEU  85  99.686   1.008  10.084
  721    H    ILE  86           HN       ILE  86  98.356  -1.308   5.839
  722    HA   ILE  86           HA       ILE  86  99.247   1.131   4.849
  723    HB   ILE  86           HB       ILE  86  99.580  -1.692   4.082
  724   HG12  ILE  86          HG12      ILE  86 101.700   0.418   3.977
  725   HG13  ILE  86          HG11      ILE  86 101.042  -0.003   5.561
  726   HG21  ILE  86          HG21      ILE  86  99.999   0.596   2.174
  727   HG22  ILE  86          HG22      ILE  86  99.088  -0.888   1.891
  728   HG23  ILE  86          HG23      ILE  86 100.842  -0.934   2.013
  729   HD11  ILE  86          HD11      ILE  86 102.255  -1.931   3.556
  730   HD12  ILE  86          HD12      ILE  86 101.539  -2.400   5.098
  731   HD13  ILE  86          HD13      ILE  86 102.992  -1.402   5.069
  732    H    LYS  87           HN       LYS  87  96.764  -1.056   3.635
  733    HA   LYS  87           HA       LYS  87  96.291   0.048   1.137
  734    HB2  LYS  87           HB2      LYS  87  95.091  -1.909   1.624
  735    HB3  LYS  87           HB1      LYS  87  94.495  -1.278   3.160
  736    HG2  LYS  87           HG2      LYS  87  92.994   0.245   2.048
  737    HG3  LYS  87           HG1      LYS  87  93.729  -0.101   0.474
  738    HD2  LYS  87           HD2      LYS  87  92.964  -2.468   0.702
  739    HD3  LYS  87           HD1      LYS  87  92.159  -2.030   2.210
  740    HE2  LYS  87           HE2      LYS  87  90.736  -0.436   1.039
  741    HE3  LYS  87           HE1      LYS  87  91.597  -0.731  -0.472
  742    HZ1  LYS  87           HZ1      LYS  87  90.815  -2.953  -0.527
  743    HZ2  LYS  87           HZ2      LYS  87  89.465  -1.967  -0.221
  744    HZ3  LYS  87           HZ3      LYS  87  90.180  -2.851   1.043
  745    H    GLU  88           HN       GLU  88  94.847   1.003   4.273
  746    HA   GLU  88           HA       GLU  88  93.533   3.260   3.032
  747    HB2  GLU  88           HB2      GLU  88  92.290   3.400   4.956
  748    HB3  GLU  88           HB1      GLU  88  92.795   1.714   5.071
  749    HG2  GLU  88           HG2      GLU  88  93.342   2.521   7.187
  750    HG3  GLU  88           HG1      GLU  88  94.863   2.662   6.331
  751    H    LEU  89           HN       LEU  89  96.539   2.599   4.495
  752    HA   LEU  89           HA       LEU  89  97.074   4.984   5.821
  753    HB2  LEU  89           HB2      LEU  89  98.459   2.885   5.884
  754    HB3  LEU  89           HB1      LEU  89  99.090   3.318   4.307
  755    HG   LEU  89           HG       LEU  89  99.868   5.461   5.264
  756   HD11  LEU  89          HD11      LEU  89  98.713   6.039   7.154
  757   HD12  LEU  89          HD12      LEU  89 100.009   5.149   7.950
  758   HD13  LEU  89          HD13      LEU  89  98.468   4.361   7.629
  759   HD21  LEU  89          HD21      LEU  89 101.635   4.384   6.807
  760   HD22  LEU  89          HD22      LEU  89 101.555   3.825   5.137
  761   HD23  LEU  89          HD23      LEU  89 100.828   2.864   6.422
  762    H    ILE  90           HN       ILE  90  97.570   4.059   2.440
  763    HA   ILE  90           HA       ILE  90  98.944   6.357   1.611
  764    HB   ILE  90           HB       ILE  90  97.112   4.473   0.097
  765   HG12  ILE  90          HG12      ILE  90 100.114   4.787   0.336
  766   HG13  ILE  90          HG11      ILE  90  99.154   3.457   0.943
  767   HG21  ILE  90          HG21      ILE  90  97.120   6.582  -1.112
  768   HG22  ILE  90          HG22      ILE  90  98.198   5.491  -1.948
  769   HG23  ILE  90          HG23      ILE  90  98.860   6.745  -0.905
  770   HD11  ILE  90          HD11      ILE  90 100.083   2.689  -1.137
  771   HD12  ILE  90          HD12      ILE  90  99.660   4.192  -1.947
  772   HD13  ILE  90          HD13      ILE  90  98.393   3.067  -1.466
  773    H    ASP  91           HN       ASP  91  95.470   5.644   1.771
  774    HA   ASP  91           HA       ASP  91  94.665   8.150   0.628
  775    HB2  ASP  91           HB2      ASP  91  93.161   6.010   2.139
  776    HB3  ASP  91           HB1      ASP  91  92.394   7.456   1.483
  777    H    LYS  92           HN       LYS  92  96.000   7.374   3.565
  778    HA   LYS  92           HA       LYS  92  94.444   8.944   5.350
  779    HB2  LYS  92           HB2      LYS  92  96.264   7.145   5.846
  780    HB3  LYS  92           HB1      LYS  92  97.391   8.495   5.718
  781    HG2  LYS  92           HG2      LYS  92  96.180   9.716   7.453
  782    HG3  LYS  92           HG1      LYS  92  94.968   8.437   7.542
  783    HD2  LYS  92           HD2      LYS  92  96.678   6.835   8.272
  784    HD3  LYS  92           HD1      LYS  92  97.915   8.086   8.153
  785    HE2  LYS  92           HE2      LYS  92  96.755   9.418   9.863
  786    HE3  LYS  92           HE1      LYS  92  95.489   8.194   9.972
  787    HZ1  LYS  92           HZ1      LYS  92  98.368   7.787  10.582
  788    HZ2  LYS  92           HZ2      LYS  92  97.168   6.585  10.652
  789    HZ3  LYS  92           HZ3      LYS  92  97.116   7.904  11.720
  790    H    LYS  93           HN       LYS  93  96.291   9.855   2.742
  791    HA   LYS  93           HA       LYS  93  97.049  11.888   1.981
  792    HB2  LYS  93           HB2      LYS  93  95.661  13.107   4.372
  793    HB3  LYS  93           HB1      LYS  93  96.022  13.868   2.826
  794    HG2  LYS  93           HG2      LYS  93  94.096  11.575   3.281
  795    HG3  LYS  93           HG1      LYS  93  93.662  13.237   2.896
  796    HD2  LYS  93           HD2      LYS  93  95.110  12.942   0.785
  797    HD3  LYS  93           HD1      LYS  93  95.049  11.213   1.134
  798    HE2  LYS  93           HE2      LYS  93  92.630  11.212   1.029
  799    HE3  LYS  93           HE1      LYS  93  92.599  12.966   0.841
  800    HZ1  LYS  93           HZ1      LYS  93  92.529  12.427  -1.326
  801    HZ2  LYS  93           HZ2      LYS  93  93.246  10.904  -1.098
  802    HZ3  LYS  93           HZ3      LYS  93  94.212  12.301  -1.153
  803    H    GLU  94           HN       GLU  94  98.166  10.379   4.560
  804    HA   GLU  94           HA       GLU  94  99.941  12.515   5.509
  805    HB2  GLU  94           HB2      GLU  94  99.430   9.699   6.489
  806    HB3  GLU  94           HB1      GLU  94 100.669  10.757   7.167
  807    HG2  GLU  94           HG2      GLU  94  97.729  11.461   6.999
  808    HG3  GLU  94           HG1      GLU  94  98.515  10.830   8.441
  809    H    VAL  95           HN       VAL  95 100.589  12.127   3.001
  810    HA   VAL  95           HA       VAL  95 102.539  10.002   2.684
  811    HB   VAL  95           HB       VAL  95 102.621  10.604   0.437
  812   HG11  VAL  95          HG11      VAL  95  99.949  11.841   0.999
  813   HG12  VAL  95          HG12      VAL  95 100.223  10.162   1.463
  814   HG13  VAL  95          HG13      VAL  95 100.394  10.651  -0.224
  815   HG21  VAL  95          HG21      VAL  95 101.786  12.957  -0.261
  816   HG22  VAL  95          HG22      VAL  95 103.364  12.854   0.516
  817   HG23  VAL  95          HG23      VAL  95 101.955  13.373   1.445
  818    H    ASN  96           HN       ASN  96 104.705  10.727   1.637
  819    HA   ASN  96           HA       ASN  96 105.842  12.831   3.359
  820    HB2  ASN  96           HB2      ASN  96 106.667  10.132   2.782
  821    HB3  ASN  96           HB1      ASN  96 107.924  11.259   2.295
  822   HD21  ASN  96          HD21      ASN  96 105.577  11.377   5.038
  823   HD22  ASN  96          HD22      ASN  96 106.767  11.541   6.237
  824    HA   PRO  97           HA       PRO  97 107.328  15.444   0.148
  825    HB2  PRO  97           HB2      PRO  97 110.098  14.461   0.662
  826    HB3  PRO  97           HB1      PRO  97 109.495  16.127   0.562
  827    HG2  PRO  97           HG2      PRO  97 110.052  14.948   2.901
  828    HG3  PRO  97           HG1      PRO  97 108.748  16.131   2.720
  829    HD2  PRO  97           HD2      PRO  97 108.580  13.228   3.147
  830    HD3  PRO  97           HD1      PRO  97 107.369  14.477   3.475
  831    H    GLN  98           HN       GLN  98 108.068  12.083   0.152
  832    HA   GLN  98           HA       GLN  98 109.413  11.627  -2.202
  833    HB2  GLN  98           HB2      GLN  98 108.470   9.462  -2.207
  834    HB3  GLN  98           HB1      GLN  98 108.492   9.940  -0.509
  835    HG2  GLN  98           HG2      GLN  98 106.080  10.906  -1.177
  836    HG3  GLN  98           HG1      GLN  98 106.178   9.608  -2.360
  837   HE21  GLN  98          HE21      GLN  98 104.225   9.251  -0.474
  838   HE22  GLN  98          HE22      GLN  98 104.691   8.100   0.681
  839    H    VAL  99           HN       VAL  99 106.455  13.234  -1.844
  840    HA   VAL  99           HA       VAL  99 105.048  12.513  -4.160
  841    HB   VAL  99           HB       VAL  99 105.205  15.170  -2.719
  842   HG11  VAL  99          HG11      VAL  99 103.492  14.175  -4.989
  843   HG12  VAL  99          HG12      VAL  99 104.318  15.725  -4.826
  844   HG13  VAL  99          HG13      VAL  99 102.877  15.387  -3.866
  845   HG21  VAL  99          HG21      VAL  99 102.891  13.268  -2.635
  846   HG22  VAL  99          HG22      VAL  99 103.443  14.410  -1.410
  847   HG23  VAL  99          HG23      VAL  99 104.318  12.899  -1.665
  848    H    MET 100           HN       MET 100 107.439  15.122  -3.672
  849    HA   MET 100           HA       MET 100 107.426  16.063  -6.338
  850    HB2  MET 100           HB2      MET 100 109.630  16.138  -4.258
  851    HB3  MET 100           HB1      MET 100 109.608  17.081  -5.750
  852    HG2  MET 100           HG2      MET 100 107.469  18.123  -5.035
  853    HG3  MET 100           HG1      MET 100 107.562  17.224  -3.520
  854    HE1  MET 100           HE1      MET 100 108.176  19.630  -1.557
  855    HE2  MET 100           HE2      MET 100 106.980  19.370  -2.824
  856    HE3  MET 100           HE3      MET 100 107.945  20.843  -2.824
  857    H    ALA 101           HN       ALA 101 109.542  13.722  -4.677
  858    HA   ALA 101           HA       ALA 101 111.095  13.125  -6.998
  859    HB1  ALA 101           HB1      ALA 101 111.459  10.942  -5.445
  860    HB2  ALA 101           HB2      ALA 101 110.820  12.059  -4.227
  861    HB3  ALA 101           HB3      ALA 101 112.279  12.475  -5.133
  862    H    ALA 102           HN       ALA 102 107.990  12.219  -5.952
  863    HA   ALA 102           HA       ALA 102 107.948   9.714  -7.460
  864    HB1  ALA 102           HB1      ALA 102 106.775   9.704  -5.344
  865    HB2  ALA 102           HB2      ALA 102 105.587   9.580  -6.651
  866    HB3  ALA 102           HB3      ALA 102 105.830  11.116  -5.828
  867    H    VAL 103           HN       VAL 103 106.937  13.028  -7.754
  868    HA   VAL 103           HA       VAL 103 104.993  12.780  -9.767
  869    HB   VAL 103           HB       VAL 103 106.964  14.996  -9.172
  870   HG11  VAL 103          HG11      VAL 103 106.373  15.437 -11.401
  871   HG12  VAL 103          HG12      VAL 103 105.142  16.324 -10.500
  872   HG13  VAL 103          HG13      VAL 103 104.758  14.754 -11.207
  873   HG21  VAL 103          HG21      VAL 103 104.148  15.524  -8.728
  874   HG22  VAL 103          HG22      VAL 103 105.484  15.601  -7.580
  875   HG23  VAL 103          HG23      VAL 103 104.646  14.076  -7.857
  876    H    ALA 104           HN       ALA 104 108.529  13.193 -10.008
  877    HA   ALA 104           HA       ALA 104 108.770  13.379 -12.762
  878    HB1  ALA 104           HB1      ALA 104 110.543  12.275 -10.602
  879    HB2  ALA 104           HB2      ALA 104 110.758  13.724 -11.587
  880    HB3  ALA 104           HB3      ALA 104 111.019  12.129 -12.295
  881    H    GLN 105           HN       GLN 105 108.344  10.522 -10.729
  882    HA   GLN 105           HA       GLN 105 108.291   8.262 -11.315
  883    HB2  GLN 105           HB2      GLN 105 105.978   9.089 -11.526
  884    HB3  GLN 105           HB1      GLN 105 106.281   9.492 -13.216
  885    HG2  GLN 105           HG2      GLN 105 106.647   7.182 -13.782
  886    HG3  GLN 105           HG1      GLN 105 106.634   6.705 -12.085
  887   HE21  GLN 105          HE21      GLN 105 104.823   5.438 -13.802
  888   HE22  GLN 105          HE22      GLN 105 103.250   5.983 -13.476
  889    H    THR 106           HN       THR 106 110.299   7.788 -12.228
  890    HA   THR 106           HA       THR 106 110.391   7.867 -15.186
  891    HB   THR 106           HB       THR 106 112.705   7.973 -13.237
  892    HG1  THR 106           HG1      THR 106 112.508  10.045 -13.394
  893   HG21  THR 106          HG21      THR 106 112.507   7.307 -16.043
  894   HG22  THR 106          HG22      THR 106 113.931   7.311 -15.003
  895   HG23  THR 106          HG23      THR 106 113.442   8.787 -15.834
  896    H    GLU 107           HN       GLU 107 110.451   5.956 -16.166
  897    HA   GLU 107           HA       GLU 107 110.965   3.558 -14.536
  898    HB2  GLU 107           HB2      GLU 107 109.748   3.775 -17.304
  899    HB3  GLU 107           HB1      GLU 107 109.824   2.328 -16.298
  900    HG2  GLU 107           HG2      GLU 107 107.659   3.110 -15.862
  901    HG3  GLU 107           HG1      GLU 107 108.584   3.779 -14.517
  902    H    GLU 108           HN       GLU 108 112.525   2.069 -15.077
  903    HA   GLU 108           HA       GLU 108 114.797   3.009 -16.521
  904    HB2  GLU 108           HB2      GLU 108 114.078   0.279 -15.434
  905    HB3  GLU 108           HB1      GLU 108 115.640   0.663 -16.165
  906    HG2  GLU 108           HG2      GLU 108 115.995   2.432 -14.489
  907    HG3  GLU 108           HG1      GLU 108 114.425   2.079 -13.769
  908    H    ILE 109           HN       ILE 109 115.407   2.685 -18.589
  909    HA   ILE 109           HA       ILE 109 113.552   1.974 -20.560
  910    HB   ILE 109           HB       ILE 109 115.506   1.915 -22.093
  911   HG12  ILE 109          HG12      ILE 109 117.173   2.279 -19.584
  912   HG13  ILE 109          HG11      ILE 109 117.019   0.741 -20.427
  913   HG21  ILE 109          HG21      ILE 109 116.457   4.214 -21.347
  914   HG22  ILE 109          HG22      ILE 109 115.317   4.096 -20.011
  915   HG23  ILE 109          HG23      ILE 109 114.731   4.112 -21.676
  916   HD11  ILE 109          HD11      ILE 109 119.029   1.811 -21.222
  917   HD12  ILE 109          HD12      ILE 109 118.156   3.310 -21.546
  918   HD13  ILE 109          HD13      ILE 109 117.832   1.872 -22.515
  919    H    LEU 110           HN       LEU 110 115.630   0.015 -18.606
  920    HA   LEU 110           HA       LEU 110 115.766  -2.289 -20.247
  921    HB2  LEU 110           HB2      LEU 110 115.900  -1.983 -17.237
  922    HB3  LEU 110           HB1      LEU 110 116.257  -3.478 -18.094
  923    HG   LEU 110           HG       LEU 110 117.663  -0.838 -18.603
  924   HD11  LEU 110          HD11      LEU 110 119.599  -2.260 -17.539
  925   HD12  LEU 110          HD12      LEU 110 118.277  -3.163 -16.802
  926   HD13  LEU 110          HD13      LEU 110 118.448  -1.437 -16.487
  927   HD21  LEU 110          HD21      LEU 110 118.085  -1.995 -20.544
  928   HD22  LEU 110          HD22      LEU 110 117.753  -3.561 -19.810
  929   HD23  LEU 110          HD23      LEU 110 119.306  -2.777 -19.542
  930    H    LYS 111           HN       LYS 111 113.421  -1.182 -17.852
  931    HA   LYS 111           HA       LYS 111 111.772  -3.562 -18.355
  932    HB2  LYS 111           HB2      LYS 111 112.148  -2.997 -16.005
  933    HB3  LYS 111           HB1      LYS 111 111.515  -1.371 -16.276
  934    HG2  LYS 111           HG2      LYS 111 109.321  -2.299 -16.876
  935    HG3  LYS 111           HG1      LYS 111 109.945  -3.942 -16.700
  936    HD2  LYS 111           HD2      LYS 111 110.409  -3.497 -14.314
  937    HD3  LYS 111           HD1      LYS 111 109.790  -1.855 -14.498
  938    HE2  LYS 111           HE2      LYS 111 107.586  -2.739 -15.129
  939    HE3  LYS 111           HE1      LYS 111 108.192  -4.384 -14.990
  940    HZ1  LYS 111           HZ1      LYS 111 108.135  -4.318 -12.763
  941    HZ2  LYS 111           HZ2      LYS 111 107.000  -3.076 -13.005
  942    HZ3  LYS 111           HZ3      LYS 111 108.624  -2.696 -12.677
  943    H    SER 112           HN       SER 112 110.109  -3.463 -19.711
  944    HA   SER 112           HA       SER 112 109.264  -0.871 -20.764
  945    HB2  SER 112           HB2      SER 112 107.883  -2.329 -22.312
  946    HB3  SER 112           HB1      SER 112 109.627  -2.539 -22.436
  947    HG   SER 112           HG       SER 112 109.246  -4.550 -21.993
  948    H    ASN 113           HN       ASN 113 106.674  -1.216 -21.399
  949    HA   ASN 113           HA       ASN 113 105.285  -0.599 -19.042
  950    HB2  ASN 113           HB2      ASN 113 104.446   0.079 -21.225
  951    HB3  ASN 113           HB1      ASN 113 104.233  -1.608 -21.696
  952   HD21  ASN 113          HD21      ASN 113 101.925  -0.268 -21.895
  953   HD22  ASN 113          HD22      ASN 113 100.900  -0.537 -20.570
  954    H    SER 114           HN       SER 114 105.496  -3.645 -20.854
  955    HA   SER 114           HA       SER 114 104.114  -5.014 -18.632
  956    HB2  SER 114           HB2      SER 114 103.377  -6.611 -20.133
  957    HB3  SER 114           HB1      SER 114 103.403  -5.181 -21.161
  958    HG   SER 114           HG       SER 114 105.247  -5.872 -22.089
  959    H    GLN 115           HN       GLN 115 104.939  -7.448 -18.568
  960    HA   GLN 115           HA       GLN 115 106.615  -8.836 -17.829
  961    HB2  GLN 115           HB2      GLN 115 108.155  -7.299 -19.937
  962    HB3  GLN 115           HB1      GLN 115 108.728  -8.767 -19.153
  963    HG2  GLN 115           HG2      GLN 115 106.758  -9.997 -19.972
  964    HG3  GLN 115           HG1      GLN 115 106.173  -8.535 -20.764
  965   HE21  GLN 115          HE21      GLN 115 106.431 -10.274 -22.664
  966   HE22  GLN 115          HE22      GLN 115 107.920 -10.222 -23.478
  967    H    THR 116           HN       THR 116 109.408  -8.330 -17.626
  968    HA   THR 116           HA       THR 116 109.545  -6.079 -15.736
  969    HB   THR 116           HB       THR 116 109.192  -8.207 -14.490
  970    HG1  THR 116           HG1      THR 116 110.751  -6.340 -13.953
  971   HG21  THR 116          HG21      THR 116 111.943  -9.095 -15.162
  972   HG22  THR 116          HG22      THR 116 110.713  -9.363 -16.396
  973   HG23  THR 116          HG23      THR 116 110.513 -10.053 -14.784
  974    H    ASP 117           HN       ASP 117 112.201  -6.686 -14.910
  975    HA   ASP 117           HA       ASP 117 113.697  -5.321 -16.834
  976    HB2  ASP 117           HB2      ASP 117 114.363  -5.519 -14.468
  977    HB3  ASP 117           HB1      ASP 117 114.703  -7.232 -14.713
  978    H    LEU 118           HN       LEU 118 113.291  -8.793 -16.290
  979    HA   LEU 118           HA       LEU 118 114.872  -9.311 -18.712
  980    HB2  LEU 118           HB2      LEU 118 115.611 -10.452 -16.624
  981    HB3  LEU 118           HB1      LEU 118 114.049 -11.262 -16.552
  982    HG   LEU 118           HG       LEU 118 114.480 -12.243 -18.801
  983   HD11  LEU 118          HD11      LEU 118 116.887 -10.508 -18.544
  984   HD12  LEU 118          HD12      LEU 118 115.970 -10.953 -19.982
  985   HD13  LEU 118          HD13      LEU 118 117.124 -12.089 -19.286
  986   HD21  LEU 118          HD21      LEU 118 115.031 -13.706 -17.044
  987   HD22  LEU 118          HD22      LEU 118 116.398 -12.717 -16.529
  988   HD23  LEU 118          HD23      LEU 118 116.506 -13.665 -18.011
  989    H    GLU 119           HN       GLU 119 113.819  -9.905 -20.519
  990    HA   GLU 119           HA       GLU 119 110.994 -10.131 -20.604
  991    HB2  GLU 119           HB2      GLU 119 113.120 -10.856 -22.636
  992    HB3  GLU 119           HB1      GLU 119 111.389 -10.836 -22.970
  993    HG2  GLU 119           HG2      GLU 119 111.282  -8.455 -22.363
  994    HG3  GLU 119           HG1      GLU 119 113.005  -8.466 -21.990
  995    H    HIS 120           HN       HIS 120 109.731 -11.830 -20.214
  996    HA   HIS 120           HA       HIS 120 110.765 -14.334 -19.371
  997    HB2  HIS 120           HB2      HIS 120 107.981 -13.449 -20.147
  998    HB3  HIS 120           HB1      HIS 120 108.347 -15.055 -19.514
  999    HD1  HIS 120           HD1      HIS 120 109.763 -14.956 -17.120
 1000    HD2  HIS 120           HD2      HIS 120 107.488 -11.616 -18.144
 1001    HE1  HIS 120           HE1      HIS 120 109.427 -13.636 -14.984
 1002    HE2  HIS 120           HE2      HIS 120 108.042 -11.596 -15.592
 1003    H    HIS 121           HN       HIS 121 109.319 -13.218 -22.407
 1004    HA   HIS 121           HA       HIS 121 110.019 -15.815 -23.635
 1005    HB2  HIS 121           HB2      HIS 121 107.958 -13.736 -24.376
 1006    HB3  HIS 121           HB1      HIS 121 108.418 -15.058 -25.450
 1007    HD1  HIS 121           HD1      HIS 121 106.314 -14.267 -22.537
 1008    HD2  HIS 121           HD2      HIS 121 107.870 -17.712 -24.295
 1009    HE1  HIS 121           HE1      HIS 121 105.018 -16.215 -21.566
 1010    HE2  HIS 121           HE2      HIS 121 105.955 -18.322 -22.628
 1011    H    HIS 122           HN       HIS 122 111.302 -15.884 -25.436
 1012    HA   HIS 122           HA       HIS 122 112.671 -13.363 -26.130
 1013    HB2  HIS 122           HB2      HIS 122 113.526 -16.230 -26.609
 1014    HB3  HIS 122           HB1      HIS 122 114.475 -14.790 -26.975
 1015    HD1  HIS 122           HD1      HIS 122 114.785 -13.147 -24.725
 1016    HD2  HIS 122           HD2      HIS 122 114.075 -17.206 -24.090
 1017    HE1  HIS 122           HE1      HIS 122 115.526 -13.641 -22.354
 1018    HE2  HIS 122           HE2      HIS 122 115.100 -16.112 -21.952
 1019    H    HIS 123           HN       HIS 123 112.230 -12.445 -28.023
 1020    HA   HIS 123           HA       HIS 123 110.391 -13.468 -29.880
 1021    HB2  HIS 123           HB2      HIS 123 112.523 -11.347 -30.208
 1022    HB3  HIS 123           HB1      HIS 123 111.240 -11.657 -31.377
 1023    HD1  HIS 123           HD1      HIS 123 108.758 -11.207 -30.564
 1024    HD2  HIS 123           HD2      HIS 123 111.719  -9.894 -27.939
 1025    HE1  HIS 123           HE1      HIS 123 107.621  -9.648 -28.921
 1026    HE2  HIS 123           HE2      HIS 123 109.414  -8.840 -27.314
 1027    H    HIS 124           HN       HIS 124 113.946 -13.387 -29.959
 1028    HA   HIS 124           HA       HIS 124 113.868 -15.292 -32.222
 1029    HB2  HIS 124           HB2      HIS 124 116.008 -13.328 -31.377
 1030    HB3  HIS 124           HB1      HIS 124 116.210 -14.530 -32.653
 1031    HD1  HIS 124           HD1      HIS 124 113.974 -11.578 -31.772
 1032    HD2  HIS 124           HD2      HIS 124 115.185 -13.752 -35.117
 1033    HE1  HIS 124           HE1      HIS 124 113.036 -10.369 -33.790
 1034    HE2  HIS 124           HE2      HIS 124 113.765 -11.682 -35.838
 1035    H    HIS 125           HN       HIS 125 114.640 -17.288 -31.920
 1036    HA   HIS 125           HA       HIS 125 116.411 -17.798 -29.617
 1037    HB2  HIS 125           HB2      HIS 125 114.271 -18.480 -28.809
 1038    HB3  HIS 125           HB1      HIS 125 113.875 -19.277 -30.332
 1039    HD1  HIS 125           HD1      HIS 125 116.081 -19.647 -27.287
 1040    HD2  HIS 125           HD2      HIS 125 114.938 -21.872 -30.622
 1041    HE1  HIS 125           HE1      HIS 125 116.935 -22.000 -26.905
 1042    HE2  HIS 125           HE2      HIS 125 116.246 -23.369 -28.929
  Start of MODEL    7
    1    H21  MYR   1          1H2       MYR   1 115.084   9.232  -1.166
    2    H22  MYR   1          2H2       MYR   1 114.758  10.155   0.134
    3    H31  MYR   1          1H3       MYR   1 113.047  11.229  -0.898
    4    H32  MYR   1          2H3       MYR   1 113.608  10.896  -2.389
    5    H41  MYR   1          1H4       MYR   1 112.282   9.181  -2.502
    6    H42  MYR   1          2H4       MYR   1 113.044   8.504  -1.232
    7    H51  MYR   1          1H5       MYR   1 111.125  10.469  -0.566
    8    H52  MYR   1          2H5       MYR   1 110.518   9.081  -1.162
    9    H61  MYR   1          1H6       MYR   1 112.010   7.992   0.545
   10    H62  MYR   1          2H6       MYR   1 111.976   9.450   1.269
   11    H71  MYR   1          1H7       MYR   1 109.736   9.295   1.702
   12    H72  MYR   1          2H7       MYR   1 109.552   8.034   0.688
   13    H81  MYR   1          1H8       MYR   1 110.464   6.567   2.179
   14    H82  MYR   1          2H8       MYR   1 111.079   7.764   3.099
   15    H91  MYR   1          1H9       MYR   1 109.299   7.807   4.352
   16    H92  MYR   1          2H9       MYR   1 108.319   7.948   3.058
   17   H101  MYR   1          1H10      MYR   1 108.739   5.448   2.853
   18   H102  MYR   1          2H10      MYR   1 109.065   5.568   4.444
   19   H111  MYR   1          1H11      MYR   1 106.873   6.442   4.826
   20   H112  MYR   1          2H11      MYR   1 106.537   6.304   3.240
   21   H121  MYR   1          1H12      MYR   1 106.365   4.334   5.174
   22   H122  MYR   1          2H12      MYR   1 105.786   4.294   3.654
   23   H131  MYR   1          1H13      MYR   1 107.806   3.487   2.826
   24   H132  MYR   1          2H13      MYR   1 108.556   3.737   4.249
   25   H141  MYR   1          1H14      MYR   1 106.543   1.737   3.745
   26   H142  MYR   1          2H14      MYR   1 108.115   1.454   4.082
   27   H143  MYR   1          3H14      MYR   1 107.130   2.057   5.235
   28    H    GLY   2           HN       GLY   2 117.086   9.766  -0.360
   29    HA2  GLY   2           HA2      GLY   2 118.721  11.537  -0.024
   30    HA3  GLY   2           HA1      GLY   2 117.413  12.701  -0.210
   31    H    GLN   3           HN       GLN   3 117.920  13.654   1.811
   32    HA   GLN   3           HA       GLN   3 118.256  12.477   4.264
   33    HB2  GLN   3           HB2      GLN   3 116.755  14.995   3.531
   34    HB3  GLN   3           HB1      GLN   3 117.091  14.528   5.199
   35    HG2  GLN   3           HG2      GLN   3 119.498  14.496   4.730
   36    HG3  GLN   3           HG1      GLN   3 119.189  14.906   3.043
   37   HE21  GLN   3          HE21      GLN   3 120.762  16.759   4.053
   38   HE22  GLN   3          HE22      GLN   3 119.933  18.147   4.571
   39    H    GLU   4           HN       GLU   4 115.415  12.495   2.310
   40    HA   GLU   4           HA       GLU   4 113.343  12.207   4.109
   41    HB2  GLU   4           HB2      GLU   4 113.703  10.569   1.589
   42    HB3  GLU   4           HB1      GLU   4 112.180  10.952   2.392
   43    HG2  GLU   4           HG2      GLU   4 114.081  13.018   1.250
   44    HG3  GLU   4           HG1      GLU   4 112.636  12.428   0.429
   45    H    LEU   5           HN       LEU   5 116.017  10.112   3.590
   46    HA   LEU   5           HA       LEU   5 115.122   7.598   4.226
   47    HB2  LEU   5           HB2      LEU   5 117.491   8.227   3.723
   48    HB3  LEU   5           HB1      LEU   5 117.627   8.856   5.366
   49    HG   LEU   5           HG       LEU   5 117.009   6.620   6.253
   50   HD11  LEU   5          HD11      LEU   5 116.635   6.127   3.347
   51   HD12  LEU   5          HD12      LEU   5 115.798   5.414   4.728
   52   HD13  LEU   5          HD13      LEU   5 117.393   4.823   4.262
   53   HD21  LEU   5          HD21      LEU   5 119.351   7.011   6.137
   54   HD22  LEU   5          HD22      LEU   5 119.369   6.868   4.378
   55   HD23  LEU   5          HD23      LEU   5 119.127   5.435   5.378
   56    H    SER   6           HN       SER   6 115.477  10.364   6.351
   57    HA   SER   6           HA       SER   6 115.319   9.129   8.847
   58    HB2  SER   6           HB2      SER   6 114.168  11.777   7.942
   59    HB3  SER   6           HB1      SER   6 114.316  11.273   9.623
   60    HG   SER   6           HG       SER   6 116.473  11.381   7.779
   61    H    GLN   7           HN       GLN   7 112.791   9.894   6.513
   62    HA   GLN   7           HA       GLN   7 110.528   9.492   8.096
   63    HB2  GLN   7           HB2      GLN   7 110.989   8.907   5.163
   64    HB3  GLN   7           HB1      GLN   7 109.405   8.864   5.940
   65    HG2  GLN   7           HG2      GLN   7 109.610  11.208   6.581
   66    HG3  GLN   7           HG1      GLN   7 111.247  11.271   5.930
   67   HE21  GLN   7          HE21      GLN   7 109.719  13.125   4.767
   68   HE22  GLN   7          HE22      GLN   7 109.152  12.644   3.241
   69    H    HIS   8           HN       HIS   8 112.521   7.150   6.332
   70    HA   HIS   8           HA       HIS   8 110.968   4.861   6.746
   71    HB2  HIS   8           HB2      HIS   8 112.905   4.903   5.241
   72    HB3  HIS   8           HB1      HIS   8 113.985   5.093   6.623
   73    HD1  HIS   8           HD1      HIS   8 111.333   2.638   5.392
   74    HD2  HIS   8           HD2      HIS   8 114.813   2.681   7.688
   75    HE1  HIS   8           HE1      HIS   8 111.822   0.227   5.998
   76    HE2  HIS   8           HE2      HIS   8 113.940   0.236   7.397
   77    H    GLU   9           HN       GLU   9 113.676   6.107   8.709
   78    HA   GLU   9           HA       GLU   9 113.704   4.269  10.755
   79    HB2  GLU   9           HB2      GLU   9 114.063   7.269  10.883
   80    HB3  GLU   9           HB1      GLU   9 114.428   6.182  12.223
   81    HG2  GLU   9           HG2      GLU   9 116.045   4.973  10.844
   82    HG3  GLU   9           HG1      GLU   9 115.643   5.979   9.454
   83    H    ARG  10           HN       ARG  10 111.439   6.926  10.243
   84    HA   ARG  10           HA       ARG  10 110.074   6.529  12.752
   85    HB2  ARG  10           HB2      ARG  10 109.181   8.045  10.287
   86    HB3  ARG  10           HB1      ARG  10 108.486   8.175  11.905
   87    HG2  ARG  10           HG2      ARG  10 110.654   8.979  12.772
   88    HG3  ARG  10           HG1      ARG  10 111.347   8.855  11.155
   89    HD2  ARG  10           HD2      ARG  10 109.679  10.482  10.325
   90    HD3  ARG  10           HD1      ARG  10 109.013  10.620  11.949
   91    HE   ARG  10           HE       ARG  10 111.524  11.753  10.999
   92   HH11  ARG  10          HH11      ARG  10 112.529  13.169  12.463
   93   HH12  ARG  10          HH12      ARG  10 111.979  13.244  14.104
   94   HH21  ARG  10          HH21      ARG  10 109.501  10.857  13.660
   95   HH22  ARG  10          HH22      ARG  10 110.264  11.935  14.782
   96    H    TYR  11           HN       TYR  11 109.315   5.859   9.334
   97    HA   TYR  11           HA       TYR  11 106.837   4.697   9.564
   98    HB2  TYR  11           HB2      TYR  11 107.867   4.995   7.399
   99    HB3  TYR  11           HB1      TYR  11 109.152   3.856   7.806
  100    HD1  TYR  11           HD1      TYR  11 108.764   1.463   7.815
  101    HD2  TYR  11           HD2      TYR  11 105.560   4.207   7.009
  102    HE1  TYR  11           HE1      TYR  11 107.357  -0.415   7.013
  103    HE2  TYR  11           HE2      TYR  11 104.154   2.330   6.207
  104    HH   TYR  11           HH       TYR  11 104.798  -0.844   6.826
  105    H    VAL  12           HN       VAL  12 109.991   3.152  10.105
  106    HA   VAL  12           HA       VAL  12 109.032   0.543  10.566
  107    HB   VAL  12           HB       VAL  12 111.529   2.014  11.371
  108   HG11  VAL  12          HG11      VAL  12 112.242  -0.440  12.025
  109   HG12  VAL  12          HG12      VAL  12 110.515  -0.648  12.314
  110   HG13  VAL  12          HG13      VAL  12 111.416   0.579  13.203
  111   HG21  VAL  12          HG21      VAL  12 111.453  -0.540   9.830
  112   HG22  VAL  12          HG22      VAL  12 112.489   0.872   9.614
  113   HG23  VAL  12          HG23      VAL  12 110.826   0.900   9.028
  114    H    GLU  13           HN       GLU  13 109.937   3.086  12.905
  115    HA   GLU  13           HA       GLU  13 109.069   1.629  15.185
  116    HB2  GLU  13           HB2      GLU  13 109.537   4.589  14.761
  117    HB3  GLU  13           HB1      GLU  13 109.210   3.851  16.330
  118    HG2  GLU  13           HG2      GLU  13 111.200   2.458  16.138
  119    HG3  GLU  13           HG1      GLU  13 111.501   3.061  14.510
  120    H    GLN  14           HN       GLN  14 107.561   4.193  13.238
  121    HA   GLN  14           HA       GLN  14 105.202   4.407  14.797
  122    HB2  GLN  14           HB2      GLN  14 105.986   6.114  13.148
  123    HB3  GLN  14           HB1      GLN  14 105.531   5.009  11.850
  124    HG2  GLN  14           HG2      GLN  14 103.721   6.611  12.261
  125    HG3  GLN  14           HG1      GLN  14 103.204   4.985  12.702
  126   HE21  GLN  14          HE21      GLN  14 101.750   5.479  14.410
  127   HE22  GLN  14          HE22      GLN  14 102.214   6.299  15.822
  128    H    LEU  15           HN       LEU  15 105.189   3.298  11.430
  129    HA   LEU  15           HA       LEU  15 102.893   1.987  11.220
  130    HB2  LEU  15           HB2      LEU  15 105.052   1.957   9.680
  131    HB3  LEU  15           HB1      LEU  15 105.257   0.357  10.397
  132    HG   LEU  15           HG       LEU  15 103.949   0.134   8.359
  133   HD11  LEU  15          HD11      LEU  15 102.136  -1.106   9.236
  134   HD12  LEU  15          HD12      LEU  15 101.947  -0.018  10.611
  135   HD13  LEU  15          HD13      LEU  15 103.325  -1.116  10.539
  136   HD21  LEU  15          HD21      LEU  15 103.016   2.656   8.976
  137   HD22  LEU  15          HD22      LEU  15 101.616   1.643   9.325
  138   HD23  LEU  15          HD23      LEU  15 102.347   1.613   7.721
  139    H    LYS  16           HN       LYS  16 105.747   0.530  12.780
  140    HA   LYS  16           HA       LYS  16 104.539  -1.910  13.491
  141    HB2  LYS  16           HB2      LYS  16 106.880  -0.360  14.568
  142    HB3  LYS  16           HB1      LYS  16 106.353  -1.854  15.342
  143    HG2  LYS  16           HG2      LYS  16 106.523  -3.006  13.127
  144    HG3  LYS  16           HG1      LYS  16 107.189  -1.521  12.447
  145    HD2  LYS  16           HD2      LYS  16 109.079  -1.612  13.978
  146    HD3  LYS  16           HD1      LYS  16 108.390  -3.013  14.798
  147    HE2  LYS  16           HE2      LYS  16 108.401  -4.032  12.347
  148    HE3  LYS  16           HE1      LYS  16 109.677  -2.840  12.101
  149    HZ1  LYS  16           HZ1      LYS  16 110.710  -4.813  12.844
  150    HZ2  LYS  16           HZ2      LYS  16 109.597  -5.017  14.111
  151    HZ3  LYS  16           HZ3      LYS  16 110.726  -3.749  14.165
  152    H    GLN  17           HN       GLN  17 104.772   1.181  15.214
  153    HA   GLN  17           HA       GLN  17 103.494   0.315  17.596
  154    HB2  GLN  17           HB2      GLN  17 103.974   2.999  16.327
  155    HB3  GLN  17           HB1      GLN  17 102.991   2.854  17.784
  156    HG2  GLN  17           HG2      GLN  17 104.812   1.829  18.994
  157    HG3  GLN  17           HG1      GLN  17 105.785   1.713  17.528
  158   HE21  GLN  17          HE21      GLN  17 107.136   3.041  19.394
  159   HE22  GLN  17          HE22      GLN  17 107.055   4.725  19.199
  160    H    ALA  18           HN       ALA  18 102.208   2.349  14.951
  161    HA   ALA  18           HA       ALA  18  99.538   2.344  15.647
  162    HB1  ALA  18           HB1      ALA  18 100.934   2.411  12.986
  163    HB2  ALA  18           HB2      ALA  18 100.088   3.709  13.828
  164    HB3  ALA  18           HB3      ALA  18  99.172   2.405  13.074
  165    H    LEU  19           HN       LEU  19 101.457  -0.310  14.693
  166    HA   LEU  19           HA       LEU  19  99.205  -1.937  13.808
  167    HB2  LEU  19           HB2      LEU  19 102.137  -2.136  13.756
  168    HB3  LEU  19           HB1      LEU  19 101.320  -3.659  14.109
  169    HG   LEU  19           HG       LEU  19 100.587  -1.851  11.790
  170   HD11  LEU  19          HD11      LEU  19 102.003  -4.490  11.523
  171   HD12  LEU  19          HD12      LEU  19 102.935  -3.023  11.823
  172   HD13  LEU  19          HD13      LEU  19 101.929  -3.148  10.380
  173   HD21  LEU  19          HD21      LEU  19  99.331  -4.102  13.046
  174   HD22  LEU  19          HD22      LEU  19  99.880  -4.595  11.444
  175   HD23  LEU  19          HD23      LEU  19  98.800  -3.212  11.618
  176    H    LYS  20           HN       LYS  20 101.570  -1.941  16.477
  177    HA   LYS  20           HA       LYS  20 100.809  -4.118  17.922
  178    HB2  LYS  20           HB2      LYS  20 102.599  -2.529  18.589
  179    HB3  LYS  20           HB1      LYS  20 101.359  -1.388  19.112
  180    HG2  LYS  20           HG2      LYS  20 100.511  -3.015  20.738
  181    HG3  LYS  20           HG1      LYS  20 101.693  -4.204  20.188
  182    HD2  LYS  20           HD2      LYS  20 103.525  -2.676  20.862
  183    HD3  LYS  20           HD1      LYS  20 102.328  -1.523  21.455
  184    HE2  LYS  20           HE2      LYS  20 101.484  -3.222  23.041
  185    HE3  LYS  20           HE1      LYS  20 102.700  -4.361  22.460
  186    HZ1  LYS  20           HZ1      LYS  20 102.976  -2.186  24.297
  187    HZ2  LYS  20           HZ2      LYS  20 104.120  -2.111  23.044
  188    HZ3  LYS  20           HZ3      LYS  20 104.011  -3.500  24.016
  189    H    THR  21           HN       THR  21  99.112  -1.028  17.722
  190    HA   THR  21           HA       THR  21  97.211  -1.520  19.758
  191    HB   THR  21           HB       THR  21  97.437   0.723  19.014
  192    HG1  THR  21           HG1      THR  21  95.104  -0.608  18.622
  193   HG21  THR  21          HG21      THR  21  97.262  -0.543  16.316
  194   HG22  THR  21          HG22      THR  21  98.340   0.729  16.892
  195   HG23  THR  21          HG23      THR  21  96.665   1.109  16.490
  196    H    ARG  22           HN       ARG  22  97.383  -2.443  16.381
  197    HA   ARG  22           HA       ARG  22  94.645  -3.247  16.143
  198    HB2  ARG  22           HB2      ARG  22  97.131  -3.623  14.508
  199    HB3  ARG  22           HB1      ARG  22  95.696  -4.582  14.144
  200    HG2  ARG  22           HG2      ARG  22  95.380  -1.630  14.533
  201    HG3  ARG  22           HG1      ARG  22  96.051  -2.213  13.010
  202    HD2  ARG  22           HD2      ARG  22  93.468  -3.248  14.200
  203    HD3  ARG  22           HD1      ARG  22  93.537  -1.949  13.014
  204    HE   ARG  22           HE       ARG  22  94.056  -4.779  12.527
  205   HH11  ARG  22          HH11      ARG  22  94.256  -5.327  10.331
  206   HH12  ARG  22          HH12      ARG  22  94.414  -4.076   9.143
  207   HH21  ARG  22          HH21      ARG  22  94.267  -1.496  11.454
  208   HH22  ARG  22          HH22      ARG  22  94.421  -1.907   9.778
  209    H    GLY  23           HN       GLY  23  97.202  -4.522  17.864
  210    HA2  GLY  23           HA2      GLY  23  96.786  -6.421  19.303
  211    HA3  GLY  23           HA1      GLY  23  95.868  -7.155  17.992
  212    H    VAL  24           HN       VAL  24  98.869  -5.533  17.321
  213    HA   VAL  24           HA       VAL  24 100.099  -8.146  16.708
  214    HB   VAL  24           HB       VAL  24 100.933  -5.431  15.674
  215   HG11  VAL  24          HG11      VAL  24 102.710  -6.965  15.391
  216   HG12  VAL  24          HG12      VAL  24 101.860  -7.014  13.847
  217   HG13  VAL  24          HG13      VAL  24 101.614  -8.300  15.029
  218   HG21  VAL  24          HG21      VAL  24  98.898  -7.421  14.687
  219   HG22  VAL  24          HG22      VAL  24  99.778  -6.408  13.542
  220   HG23  VAL  24          HG23      VAL  24  98.770  -5.665  14.783
  221    H    LYS  25           HN       LYS  25 102.541  -8.137  16.898
  222    HA   LYS  25           HA       LYS  25 103.338  -6.722  19.372
  223    HB2  LYS  25           HB2      LYS  25 104.233  -9.413  18.311
  224    HB3  LYS  25           HB1      LYS  25 104.914  -8.615  19.729
  225    HG2  LYS  25           HG2      LYS  25 102.684  -8.603  20.793
  226    HG3  LYS  25           HG1      LYS  25 102.007  -9.410  19.378
  227    HD2  LYS  25           HD2      LYS  25 103.526 -11.325  19.748
  228    HD3  LYS  25           HD1      LYS  25 104.182 -10.524  21.176
  229    HE2  LYS  25           HE2      LYS  25 101.267 -11.273  20.803
  230    HE3  LYS  25           HE1      LYS  25 102.429 -12.197  21.755
  231    HZ1  LYS  25           HZ1      LYS  25 101.927 -10.877  23.445
  232    HZ2  LYS  25           HZ2      LYS  25 100.992  -9.853  22.463
  233    HZ3  LYS  25           HZ3      LYS  25 102.664  -9.594  22.616
  234    H    VAL  26           HN       VAL  26 105.352  -5.751  19.455
  235    HA   VAL  26           HA       VAL  26 106.802  -5.585  16.882
  236    HB   VAL  26           HB       VAL  26 107.299  -3.247  17.394
  237   HG11  VAL  26          HG11      VAL  26 105.261  -3.712  16.123
  238   HG12  VAL  26          HG12      VAL  26 104.978  -2.353  17.211
  239   HG13  VAL  26          HG13      VAL  26 104.355  -3.952  17.618
  240   HG21  VAL  26          HG21      VAL  26 106.237  -4.066  20.003
  241   HG22  VAL  26          HG22      VAL  26 105.541  -2.551  19.426
  242   HG23  VAL  26          HG23      VAL  26 107.290  -2.709  19.596
  243    H    LYS  27           HN       LYS  27 108.214  -7.262  17.623
  244    HA   LYS  27           HA       LYS  27 110.037  -6.438  19.799
  245    HB2  LYS  27           HB2      LYS  27 108.742  -8.717  19.802
  246    HB3  LYS  27           HB1      LYS  27 109.986  -9.208  18.652
  247    HG2  LYS  27           HG2      LYS  27 111.108  -7.786  20.942
  248    HG3  LYS  27           HG1      LYS  27 110.230  -9.238  21.425
  249    HD2  LYS  27           HD2      LYS  27 111.513 -10.501  19.654
  250    HD3  LYS  27           HD1      LYS  27 112.494  -9.054  19.421
  251    HE2  LYS  27           HE2      LYS  27 113.185  -9.114  21.774
  252    HE3  LYS  27           HE1      LYS  27 112.164 -10.526  22.052
  253    HZ1  LYS  27           HZ1      LYS  27 113.684 -11.867  21.171
  254    HZ2  LYS  27           HZ2      LYS  27 114.771 -10.567  21.275
  255    HZ3  LYS  27           HZ3      LYS  27 113.933 -10.863  19.827
  256    H    TYR  28           HN       TYR  28 112.332  -6.997  19.484
  257    HA   TYR  28           HA       TYR  28 113.429  -5.841  17.216
  258    HB2  TYR  28           HB2      TYR  28 114.734  -6.164  19.240
  259    HB3  TYR  28           HB1      TYR  28 114.641  -7.916  19.058
  260    HD1  TYR  28           HD1      TYR  28 116.373  -9.026  17.957
  261    HD2  TYR  28           HD2      TYR  28 115.684  -4.867  17.133
  262    HE1  TYR  28           HE1      TYR  28 118.376  -8.983  16.495
  263    HE2  TYR  28           HE2      TYR  28 117.687  -4.824  15.672
  264    HH   TYR  28           HH       TYR  28 119.225  -6.093  14.626
  265    H    ALA  29           HN       ALA  29 112.418  -9.148  17.763
  266    HA   ALA  29           HA       ALA  29 113.739 -10.383  15.602
  267    HB1  ALA  29           HB1      ALA  29 111.480 -11.020  17.387
  268    HB2  ALA  29           HB2      ALA  29 112.824 -12.034  16.858
  269    HB3  ALA  29           HB3      ALA  29 111.424 -11.806  15.809
  270    H    ASP  30           HN       ASP  30 111.031  -8.245  15.728
  271    HA   ASP  30           HA       ASP  30 109.825  -9.029  13.249
  272    HB2  ASP  30           HB2      ASP  30 109.593  -6.522  14.924
  273    HB3  ASP  30           HB1      ASP  30 108.644  -6.817  13.469
  274    H    LEU  31           HN       LEU  31 112.110  -6.501  14.231
  275    HA   LEU  31           HA       LEU  31 112.280  -5.147  11.773
  276    HB2  LEU  31           HB2      LEU  31 114.146  -5.466  14.109
  277    HB3  LEU  31           HB1      LEU  31 114.664  -4.602  12.660
  278    HG   LEU  31           HG       LEU  31 112.226  -3.475  13.034
  279   HD11  LEU  31          HD11      LEU  31 111.903  -4.795  15.131
  280   HD12  LEU  31          HD12      LEU  31 111.892  -3.054  15.413
  281   HD13  LEU  31          HD13      LEU  31 113.324  -4.003  15.811
  282   HD21  LEU  31          HD21      LEU  31 114.197  -2.154  12.707
  283   HD22  LEU  31          HD22      LEU  31 114.916  -2.733  14.210
  284   HD23  LEU  31          HD23      LEU  31 113.528  -1.645  14.257
  285    H    LEU  32           HN       LEU  32 114.111  -7.913  13.042
  286    HA   LEU  32           HA       LEU  32 116.047  -8.192  11.098
  287    HB2  LEU  32           HB2      LEU  32 114.500 -10.469  12.355
  288    HB3  LEU  32           HB1      LEU  32 116.127 -10.543  11.678
  289    HG   LEU  32           HG       LEU  32 115.292  -8.838  14.043
  290   HD11  LEU  32          HD11      LEU  32 116.319 -10.427  15.437
  291   HD12  LEU  32          HD12      LEU  32 117.203 -11.166  14.102
  292   HD13  LEU  32          HD13      LEU  32 115.467 -11.431  14.266
  293   HD21  LEU  32          HD21      LEU  32 117.961  -8.875  14.151
  294   HD22  LEU  32          HD22      LEU  32 117.100  -7.675  13.189
  295   HD23  LEU  32          HD23      LEU  32 117.784  -9.102  12.412
  296    H    LYS  33           HN       LYS  33 112.993 -10.044  11.081
  297    HA   LYS  33           HA       LYS  33 113.300 -10.819   8.354
  298    HB2  LYS  33           HB2      LYS  33 112.008 -12.113  10.060
  299    HB3  LYS  33           HB1      LYS  33 110.780 -10.848  10.029
  300    HG2  LYS  33           HG2      LYS  33 110.384 -11.235   7.652
  301    HG3  LYS  33           HG1      LYS  33 111.684 -12.425   7.602
  302    HD2  LYS  33           HD2      LYS  33 110.458 -13.824   9.234
  303    HD3  LYS  33           HD1      LYS  33 109.148 -12.643   9.251
  304    HE2  LYS  33           HE2      LYS  33 108.771 -13.000   6.849
  305    HE3  LYS  33           HE1      LYS  33 110.105 -14.153   6.801
  306    HZ1  LYS  33           HZ1      LYS  33 107.978 -15.277   6.998
  307    HZ2  LYS  33           HZ2      LYS  33 107.634 -14.426   8.429
  308    HZ3  LYS  33           HZ3      LYS  33 108.919 -15.538   8.385
  309    H    PHE  34           HN       PHE  34 111.046  -8.561   9.960
  310    HA   PHE  34           HA       PHE  34 109.635  -7.727   7.726
  311    HB2  PHE  34           HB2      PHE  34 109.126  -7.131  10.111
  312    HB3  PHE  34           HB1      PHE  34 110.433  -5.950  10.042
  313    HD1  PHE  34           HD1      PHE  34 107.203  -6.931   8.458
  314    HD2  PHE  34           HD2      PHE  34 110.118  -3.827   9.026
  315    HE1  PHE  34           HE1      PHE  34 105.674  -5.298   7.388
  316    HE2  PHE  34           HE2      PHE  34 108.589  -2.195   7.957
  317    HZ   PHE  34           HZ       PHE  34 106.366  -2.930   7.139
  318    H    PHE  35           HN       PHE  35 112.668  -6.420   9.044
  319    HA   PHE  35           HA       PHE  35 112.877  -4.295   7.159
  320    HB2  PHE  35           HB2      PHE  35 114.049  -4.475   9.414
  321    HB3  PHE  35           HB1      PHE  35 115.175  -5.583   8.631
  322    HD1  PHE  35           HD1      PHE  35 116.411  -4.786   6.540
  323    HD2  PHE  35           HD2      PHE  35 114.270  -2.133   9.153
  324    HE1  PHE  35           HE1      PHE  35 117.663  -2.859   5.608
  325    HE2  PHE  35           HE2      PHE  35 115.522  -0.206   8.221
  326    HZ   PHE  35           HZ       PHE  35 117.218  -0.568   6.449
  327    H    ASP  36           HN       ASP  36 114.245  -7.563   7.320
  328    HA   ASP  36           HA       ASP  36 115.735  -7.261   4.872
  329    HB2  ASP  36           HB2      ASP  36 115.053  -9.667   6.571
  330    HB3  ASP  36           HB1      ASP  36 116.056  -9.747   5.124
  331    H    PHE  37           HN       PHE  37 112.508  -8.095   5.718
  332    HA   PHE  37           HA       PHE  37 111.822  -9.802   3.582
  333    HB2  PHE  37           HB2      PHE  37 110.404  -9.437   5.583
  334    HB3  PHE  37           HB1      PHE  37 110.054  -7.805   5.014
  335    HD1  PHE  37           HD1      PHE  37 108.448  -7.406   3.295
  336    HD2  PHE  37           HD2      PHE  37 109.714 -11.414   4.179
  337    HE1  PHE  37           HE1      PHE  37 106.639  -8.296   1.850
  338    HE2  PHE  37           HE2      PHE  37 107.905 -12.305   2.734
  339    HZ   PHE  37           HZ       PHE  37 106.368 -10.745   1.570
  340    H    VAL  38           HN       VAL  38 111.540  -6.266   3.915
  341    HA   VAL  38           HA       VAL  38 110.641  -5.955   1.185
  342    HB   VAL  38           HB       VAL  38 111.048  -3.468   1.781
  343   HG11  VAL  38          HG11      VAL  38 108.965  -3.428   3.125
  344   HG12  VAL  38          HG12      VAL  38 109.103  -5.169   3.372
  345   HG13  VAL  38          HG13      VAL  38 108.830  -4.527   1.753
  346   HG21  VAL  38          HG21      VAL  38 112.569  -4.242   3.743
  347   HG22  VAL  38          HG22      VAL  38 111.057  -4.559   4.595
  348   HG23  VAL  38          HG23      VAL  38 111.435  -2.926   4.047
  349    H    LYS  39           HN       LYS  39 113.657  -5.679   2.962
  350    HA   LYS  39           HA       LYS  39 115.198  -4.262   1.112
  351    HB2  LYS  39           HB2      LYS  39 115.821  -5.027   3.482
  352    HB3  LYS  39           HB1      LYS  39 116.270  -6.564   2.739
  353    HG2  LYS  39           HG2      LYS  39 117.829  -5.398   1.234
  354    HG3  LYS  39           HG1      LYS  39 117.368  -3.850   1.943
  355    HD2  LYS  39           HD2      LYS  39 118.181  -4.614   4.146
  356    HD3  LYS  39           HD1      LYS  39 118.648  -6.160   3.435
  357    HE2  LYS  39           HE2      LYS  39 120.175  -4.956   1.883
  358    HE3  LYS  39           HE1      LYS  39 119.749  -3.438   2.674
  359    HZ1  LYS  39           HZ1      LYS  39 120.681  -4.181   4.698
  360    HZ2  LYS  39           HZ2      LYS  39 121.829  -4.524   3.493
  361    HZ3  LYS  39           HZ3      LYS  39 120.863  -5.769   4.128
  362    H    ASP  40           HN       ASP  40 114.217  -7.632   1.176
  363    HA   ASP  40           HA       ASP  40 115.943  -8.893  -0.504
  364    HB2  ASP  40           HB2      ASP  40 112.923  -9.059  -0.509
  365    HB3  ASP  40           HB1      ASP  40 113.977 -10.199  -1.346
  366    H    THR  41           HN       THR  41 113.003  -7.251  -1.704
  367    HA   THR  41           HA       THR  41 114.440  -6.766  -4.245
  368    HB   THR  41           HB       THR  41 112.109  -6.700  -5.246
  369    HG1  THR  41           HG1      THR  41 111.513  -7.862  -2.728
  370   HG21  THR  41          HG21      THR  41 113.344  -8.643  -5.719
  371   HG22  THR  41          HG22      THR  41 111.867  -9.275  -4.993
  372   HG23  THR  41          HG23      THR  41 113.343  -9.164  -4.035
  373    H    CYS  42           HN       CYS  42 113.426  -5.272  -1.511
  374    HA   CYS  42           HA       CYS  42 112.709  -3.135  -0.967
  375    HB2  CYS  42           HB2      CYS  42 114.540  -2.385  -3.251
  376    HB3  CYS  42           HB1      CYS  42 114.193  -1.454  -1.794
  377    HG   CYS  42           HG       CYS  42 115.677  -4.201  -1.601
  378    HA   PRO  43           HA       PRO  43 109.876  -2.841  -4.697
  379    HB2  PRO  43           HB2      PRO  43 107.729  -3.471  -2.810
  380    HB3  PRO  43           HB1      PRO  43 108.178  -4.298  -4.313
  381    HG2  PRO  43           HG2      PRO  43 108.561  -5.387  -1.881
  382    HG3  PRO  43           HG1      PRO  43 109.621  -5.713  -3.262
  383    HD2  PRO  43           HD2      PRO  43 110.095  -3.897  -0.916
  384    HD3  PRO  43           HD1      PRO  43 111.210  -5.000  -1.752
  385    H    TRP  44           HN       TRP  44 110.009  -1.540  -1.501
  386    HA   TRP  44           HA       TRP  44 107.911   0.374  -1.707
  387    HB2  TRP  44           HB2      TRP  44 109.877  -0.400   0.228
  388    HB3  TRP  44           HB1      TRP  44 109.928   1.353   0.032
  389    HD1  TRP  44           HD1      TRP  44 107.660   2.712   0.494
  390    HE1  TRP  44           HE1      TRP  44 105.610   2.140   1.951
  391    HE3  TRP  44           HE3      TRP  44 108.382  -2.306   1.103
  392    HZ2  TRP  44           HZ2      TRP  44 104.434  -0.144   3.207
  393    HZ3  TRP  44           HZ3      TRP  44 106.784  -3.654   2.433
  394    HH2  TRP  44           HH2      TRP  44 104.812  -2.582   3.484
  395    H    PHE  45           HN       PHE  45 109.808   0.251  -3.987
  396    HA   PHE  45           HA       PHE  45 110.886   1.682  -5.426
  397    HB2  PHE  45           HB2      PHE  45 108.699   3.120  -4.218
  398    HB3  PHE  45           HB1      PHE  45 110.034   4.222  -4.558
  399    HD1  PHE  45           HD1      PHE  45 107.213   2.602  -5.941
  400    HD2  PHE  45           HD2      PHE  45 111.198   3.874  -6.917
  401    HE1  PHE  45           HE1      PHE  45 106.637   2.559  -8.353
  402    HE2  PHE  45           HE2      PHE  45 110.622   3.831  -9.329
  403    HZ   PHE  45           HZ       PHE  45 108.341   3.173 -10.046
  404    HA   PRO  46           HA       PRO  46 114.289   2.479  -2.454
  405    HB2  PRO  46           HB2      PRO  46 115.739   2.282  -5.048
  406    HB3  PRO  46           HB1      PRO  46 116.087   1.496  -3.497
  407    HG2  PRO  46           HG2      PRO  46 115.052   0.131  -5.522
  408    HG3  PRO  46           HG1      PRO  46 114.560  -0.186  -3.850
  409    HD2  PRO  46           HD2      PRO  46 113.061   1.272  -5.997
  410    HD3  PRO  46           HD1      PRO  46 112.450   0.226  -4.698
  411    H    GLN  47           HN       GLN  47 113.653   3.937  -5.617
  412    HA   GLN  47           HA       GLN  47 115.261   6.284  -5.015
  413    HB2  GLN  47           HB2      GLN  47 113.469   5.650  -7.372
  414    HB3  GLN  47           HB1      GLN  47 114.540   7.045  -7.251
  415    HG2  GLN  47           HG2      GLN  47 116.487   5.569  -7.072
  416    HG3  GLN  47           HG1      GLN  47 115.439   4.153  -7.113
  417   HE21  GLN  47          HE21      GLN  47 115.729   3.212  -9.146
  418   HE22  GLN  47          HE22      GLN  47 115.708   4.064 -10.614
  419    H    GLU  48           HN       GLU  48 111.832   5.460  -5.414
  420    HA   GLU  48           HA       GLU  48 111.004   8.179  -4.798
  421    HB2  GLU  48           HB2      GLU  48 109.840   5.913  -6.089
  422    HB3  GLU  48           HB1      GLU  48 108.807   6.370  -4.734
  423    HG2  GLU  48           HG2      GLU  48 108.130   7.633  -6.702
  424    HG3  GLU  48           HG1      GLU  48 108.868   8.734  -5.541
  425    H    GLY  49           HN       GLY  49 111.686   5.291  -3.105
  426    HA2  GLY  49           HA2      GLY  49 111.214   4.546  -0.964
  427    HA3  GLY  49           HA1      GLY  49 111.513   6.231  -0.551
  428    H    THR  50           HN       THR  50 108.878   5.466  -2.665
  429    HA   THR  50           HA       THR  50 106.997   6.346  -0.585
  430    HB   THR  50           HB       THR  50 107.103   7.456  -2.876
  431    HG1  THR  50           HG1      THR  50 104.658   6.242  -2.111
  432   HG21  THR  50          HG21      THR  50 107.181   4.981  -3.883
  433   HG22  THR  50          HG22      THR  50 106.465   6.322  -4.776
  434   HG23  THR  50          HG23      THR  50 105.432   5.202  -3.888
  435    H    ILE  51           HN       ILE  51 104.755   5.305  -0.786
  436    HA   ILE  51           HA       ILE  51 105.105   2.410  -0.618
  437    HB   ILE  51           HB       ILE  51 102.487   3.788  -0.154
  438   HG12  ILE  51          HG12      ILE  51 104.930   3.892   1.639
  439   HG13  ILE  51          HG11      ILE  51 104.016   5.259   0.999
  440   HG21  ILE  51          HG21      ILE  51 102.200   2.031   1.455
  441   HG22  ILE  51          HG22      ILE  51 103.913   1.612   1.395
  442   HG23  ILE  51          HG23      ILE  51 102.874   1.278   0.009
  443   HD11  ILE  51          HD11      ILE  51 103.201   3.283   3.125
  444   HD12  ILE  51          HD12      ILE  51 101.991   4.208   2.237
  445   HD13  ILE  51          HD13      ILE  51 103.205   5.045   3.202
  446    H    ASP  52           HN       ASP  52 104.097   0.928  -1.920
  447    HA   ASP  52           HA       ASP  52 102.437   1.951  -4.133
  448    HB2  ASP  52           HB2      ASP  52 104.766   1.673  -4.940
  449    HB3  ASP  52           HB1      ASP  52 104.712  -0.019  -4.451
  450    H    ILE  53           HN       ILE  53 100.563   0.906  -4.151
  451    HA   ILE  53           HA       ILE  53 100.124  -1.465  -2.604
  452    HB   ILE  53           HB       ILE  53  98.294  -0.262  -4.688
  453   HG12  ILE  53          HG12      ILE  53  98.939   1.513  -3.168
  454   HG13  ILE  53          HG11      ILE  53  97.323   0.972  -2.714
  455   HG21  ILE  53          HG21      ILE  53  96.654  -1.586  -3.793
  456   HG22  ILE  53          HG22      ILE  53  97.322  -1.486  -2.164
  457   HG23  ILE  53          HG23      ILE  53  98.027  -2.596  -3.339
  458   HD11  ILE  53          HD11      ILE  53  99.943   0.460  -1.328
  459   HD12  ILE  53          HD12      ILE  53  98.596  -0.657  -1.111
  460   HD13  ILE  53          HD13      ILE  53  98.422   1.036  -0.645
  461    H    LYS  54           HN       LYS  54 100.448  -0.756  -6.058
  462    HA   LYS  54           HA       LYS  54  99.691  -3.299  -7.021
  463    HB2  LYS  54           HB2      LYS  54  99.874  -1.238  -8.417
  464    HB3  LYS  54           HB1      LYS  54 101.629  -1.352  -8.291
  465    HG2  LYS  54           HG2      LYS  54 101.604  -3.543  -9.368
  466    HG3  LYS  54           HG1      LYS  54  99.841  -3.530  -9.410
  467    HD2  LYS  54           HD2      LYS  54  99.868  -1.562 -10.877
  468    HD3  LYS  54           HD1      LYS  54 101.631  -1.520 -10.809
  469    HE2  LYS  54           HE2      LYS  54 101.729  -3.759 -11.839
  470    HE3  LYS  54           HE1      LYS  54  99.967  -3.806 -11.906
  471    HZ1  LYS  54           HZ1      LYS  54 101.222  -1.463 -13.073
  472    HZ2  LYS  54           HZ2      LYS  54  99.901  -2.379 -13.624
  473    HZ3  LYS  54           HZ3      LYS  54 101.488  -2.922 -13.896
  474    H    ARG  55           HN       ARG  55 102.947  -1.914  -6.534
  475    HA   ARG  55           HA       ARG  55 104.330  -4.318  -7.133
  476    HB2  ARG  55           HB2      ARG  55 105.133  -1.820  -5.636
  477    HB3  ARG  55           HB1      ARG  55 106.246  -3.154  -5.942
  478    HG2  ARG  55           HG2      ARG  55 105.865  -2.934  -8.363
  479    HG3  ARG  55           HG1      ARG  55 104.728  -1.619  -8.072
  480    HD2  ARG  55           HD2      ARG  55 106.877  -0.655  -8.649
  481    HD3  ARG  55           HD1      ARG  55 106.567  -0.349  -6.943
  482    HE   ARG  55           HE       ARG  55 108.004  -2.755  -7.143
  483   HH11  ARG  55          HH11      ARG  55 110.245  -2.744  -6.773
  484   HH12  ARG  55          HH12      ARG  55 111.135  -1.266  -6.923
  485   HH21  ARG  55          HH21      ARG  55 108.357   0.631  -7.766
  486   HH22  ARG  55          HH22      ARG  55 110.066   0.645  -7.486
  487    H    TRP  56           HN       TRP  56 103.028  -2.951  -4.166
  488    HA   TRP  56           HA       TRP  56 104.333  -4.578  -2.292
  489    HB2  TRP  56           HB2      TRP  56 103.078  -2.707  -1.501
  490    HB3  TRP  56           HB1      TRP  56 101.601  -3.290  -2.268
  491    HD1  TRP  56           HD1      TRP  56 100.011  -4.313  -0.588
  492    HE1  TRP  56           HE1      TRP  56 100.235  -5.683   1.584
  493    HE3  TRP  56           HE3      TRP  56 105.098  -4.576  -0.231
  494    HZ2  TRP  56           HZ2      TRP  56 102.299  -6.749   3.254
  495    HZ3  TRP  56           HZ3      TRP  56 106.167  -5.773   1.658
  496    HH2  TRP  56           HH2      TRP  56 104.774  -6.859   3.400
  497    H    ARG  57           HN       ARG  57 101.459  -5.150  -4.262
  498    HA   ARG  57           HA       ARG  57 100.697  -7.596  -3.029
  499    HB2  ARG  57           HB2      ARG  57 100.141  -6.432  -5.761
  500    HB3  ARG  57           HB1      ARG  57  99.446  -7.953  -5.200
  501    HG2  ARG  57           HG2      ARG  57  98.369  -6.834  -3.333
  502    HG3  ARG  57           HG1      ARG  57  99.172  -5.315  -3.732
  503    HD2  ARG  57           HD2      ARG  57  96.859  -5.312  -4.567
  504    HD3  ARG  57           HD1      ARG  57  98.004  -5.269  -5.906
  505    HE   ARG  57           HE       ARG  57  97.310  -7.416  -6.516
  506   HH11  ARG  57          HH11      ARG  57  95.872  -9.169  -6.370
  507   HH12  ARG  57          HH12      ARG  57  94.867  -9.342  -4.970
  508   HH21  ARG  57          HH21      ARG  57  96.087  -6.495  -3.413
  509   HH22  ARG  57          HH22      ARG  57  94.989  -7.829  -3.296
  510    H    ARG  58           HN       ARG  58 102.824  -6.784  -5.730
  511    HA   ARG  58           HA       ARG  58 103.238  -9.372  -6.736
  512    HB2  ARG  58           HB2      ARG  58 104.970  -6.901  -6.721
  513    HB3  ARG  58           HB1      ARG  58 105.460  -8.393  -7.523
  514    HG2  ARG  58           HG2      ARG  58 103.399  -8.346  -8.879
  515    HG3  ARG  58           HG1      ARG  58 102.908  -6.851  -8.081
  516    HD2  ARG  58           HD2      ARG  58 103.964  -6.356 -10.243
  517    HD3  ARG  58           HD1      ARG  58 104.949  -5.739  -8.920
  518    HE   ARG  58           HE       ARG  58 106.581  -7.341  -9.435
  519   HH11  ARG  58          HH11      ARG  58 107.489  -8.865 -10.853
  520   HH12  ARG  58          HH12      ARG  58 106.506  -9.586 -12.085
  521   HH21  ARG  58          HH21      ARG  58 103.643  -7.846 -11.193
  522   HH22  ARG  58          HH22      ARG  58 104.329  -9.009 -12.277
  523    H    VAL  59           HN       VAL  59 105.174  -7.520  -4.378
  524    HA   VAL  59           HA       VAL  59 107.013  -9.592  -3.820
  525    HB   VAL  59           HB       VAL  59 107.568  -7.335  -3.213
  526   HG11  VAL  59          HG11      VAL  59 106.283  -6.085  -1.538
  527   HG12  VAL  59          HG12      VAL  59 105.172  -7.442  -1.355
  528   HG13  VAL  59          HG13      VAL  59 105.235  -6.553  -2.876
  529   HG21  VAL  59          HG21      VAL  59 108.545  -7.815  -1.180
  530   HG22  VAL  59          HG22      VAL  59 108.007  -9.442  -1.600
  531   HG23  VAL  59          HG23      VAL  59 107.050  -8.454  -0.496
  532    H    GLY  60           HN       GLY  60 103.905  -8.713  -2.392
  533    HA2  GLY  60           HA2      GLY  60 104.015 -10.444  -0.157
  534    HA3  GLY  60           HA1      GLY  60 102.546  -9.792  -0.879
  535    H    ASP  61           HN       ASP  61 102.504 -10.854  -3.365
  536    HA   ASP  61           HA       ASP  61 101.664 -13.536  -2.882
  537    HB2  ASP  61           HB2      ASP  61 101.879 -11.771  -5.292
  538    HB3  ASP  61           HB1      ASP  61 101.600 -13.498  -5.509
  539    H    CYS  62           HN       CYS  62 104.525 -12.074  -4.343
  540    HA   CYS  62           HA       CYS  62 105.652 -14.416  -5.439
  541    HB2  CYS  62           HB2      CYS  62 106.881 -11.840  -4.456
  542    HB3  CYS  62           HB1      CYS  62 107.830 -13.124  -5.205
  543    HG   CYS  62           HG       CYS  62 105.819 -12.765  -7.192
  544    H    PHE  63           HN       PHE  63 105.886 -12.957  -2.223
  545    HA   PHE  63           HA       PHE  63 107.767 -14.959  -1.294
  546    HB2  PHE  63           HB2      PHE  63 106.483 -12.520  -0.168
  547    HB3  PHE  63           HB1      PHE  63 107.018 -13.755   0.972
  548    HD1  PHE  63           HD1      PHE  63 108.197 -11.825  -2.015
  549    HD2  PHE  63           HD2      PHE  63 109.268 -13.854   1.616
  550    HE1  PHE  63           HE1      PHE  63 110.541 -11.059  -2.280
  551    HE2  PHE  63           HE2      PHE  63 111.612 -13.088   1.352
  552    HZ   PHE  63           HZ       PHE  63 112.249 -11.691  -0.596
  553    H    GLN  64           HN       GLN  64 104.333 -14.199  -0.880
  554    HA   GLN  64           HA       GLN  64 103.758 -16.188   1.046
  555    HB2  GLN  64           HB2      GLN  64 102.243 -14.301   0.527
  556    HB3  GLN  64           HB1      GLN  64 101.921 -15.013  -1.055
  557    HG2  GLN  64           HG2      GLN  64 100.957 -16.989  -0.037
  558    HG3  GLN  64           HG1      GLN  64 101.423 -16.438   1.572
  559   HE21  GLN  64          HE21      GLN  64  98.660 -16.980   0.579
  560   HE22  GLN  64          HE22      GLN  64  97.814 -15.518   0.754
  561    H    ASP  65           HN       ASP  65 103.722 -16.214  -2.496
  562    HA   ASP  65           HA       ASP  65 102.626 -18.811  -2.799
  563    HB2  ASP  65           HB2      ASP  65 102.646 -17.274  -4.666
  564    HB3  ASP  65           HB1      ASP  65 104.405 -17.177  -4.619
  565    H    TYR  66           HN       TYR  66 105.997 -17.652  -2.890
  566    HA   TYR  66           HA       TYR  66 107.176 -20.204  -3.200
  567    HB2  TYR  66           HB2      TYR  66 108.425 -18.177  -3.694
  568    HB3  TYR  66           HB1      TYR  66 108.301 -17.657  -2.013
  569    HD1  TYR  66           HD1      TYR  66 109.366 -20.687  -3.964
  570    HD2  TYR  66           HD2      TYR  66 110.115 -18.090  -0.625
  571    HE1  TYR  66           HE1      TYR  66 111.403 -21.988  -3.408
  572    HE2  TYR  66           HE2      TYR  66 112.151 -19.392  -0.069
  573    HH   TYR  66           HH       TYR  66 113.787 -20.893  -1.380
  574    H    TYR  67           HN       TYR  67 106.406 -18.263  -0.336
  575    HA   TYR  67           HA       TYR  67 107.615 -19.979   1.565
  576    HB2  TYR  67           HB2      TYR  67 106.995 -17.671   2.103
  577    HB3  TYR  67           HB1      TYR  67 105.290 -18.067   1.889
  578    HD1  TYR  67           HD1      TYR  67 104.098 -18.446   3.846
  579    HD2  TYR  67           HD2      TYR  67 108.256 -19.516   3.690
  580    HE1  TYR  67           HE1      TYR  67 103.983 -19.232   6.194
  581    HE2  TYR  67           HE2      TYR  67 108.140 -20.302   6.040
  582    HH   TYR  67           HH       TYR  67 106.889 -20.396   7.885
  583    H    ASN  68           HN       ASN  68 104.388 -19.868   0.133
  584    HA   ASN  68           HA       ASN  68 103.120 -21.697   1.858
  585    HB2  ASN  68           HB2      ASN  68 102.623 -20.872  -0.997
  586    HB3  ASN  68           HB1      ASN  68 101.620 -22.083  -0.199
  587   HD21  ASN  68          HD21      ASN  68 100.572 -19.528  -1.031
  588   HD22  ASN  68          HD22      ASN  68 100.147 -18.662   0.366
  589    H    THR  69           HN       THR  69 104.973 -22.175  -1.124
  590    HA   THR  69           HA       THR  69 104.470 -24.811  -1.696
  591    HB   THR  69           HB       THR  69 106.733 -24.915  -2.646
  592    HG1  THR  69           HG1      THR  69 108.071 -23.933  -1.307
  593   HG21  THR  69          HG21      THR  69 104.901 -22.628  -3.031
  594   HG22  THR  69          HG22      THR  69 105.547 -23.767  -4.213
  595   HG23  THR  69          HG23      THR  69 106.524 -22.400  -3.680
  596    H    PHE  70           HN       PHE  70 106.050 -23.524   1.083
  597    HA   PHE  70           HA       PHE  70 107.271 -26.075   1.811
  598    HB2  PHE  70           HB2      PHE  70 107.213 -23.366   3.151
  599    HB3  PHE  70           HB1      PHE  70 107.980 -24.787   3.861
  600    HD1  PHE  70           HD1      PHE  70 109.944 -25.834   2.785
  601    HD2  PHE  70           HD2      PHE  70 108.175 -22.239   1.236
  602    HE1  PHE  70           HE1      PHE  70 111.968 -25.430   1.411
  603    HE2  PHE  70           HE2      PHE  70 110.199 -21.835  -0.139
  604    HZ   PHE  70           HZ       PHE  70 112.095 -23.430  -0.052
  605    H    GLY  71           HN       GLY  71 104.247 -25.368   1.675
  606    HA2  GLY  71           HA2      GLY  71 102.340 -25.654   2.974
  607    HA3  GLY  71           HA1      GLY  71 103.168 -27.151   3.394
  608    HA   PRO  72           HA       PRO  72 104.365 -24.245   6.958
  609    HB2  PRO  72           HB2      PRO  72 103.774 -21.591   6.815
  610    HB3  PRO  72           HB1      PRO  72 105.244 -22.289   6.109
  611    HG2  PRO  72           HG2      PRO  72 102.741 -21.418   4.787
  612    HG3  PRO  72           HG1      PRO  72 104.411 -21.369   4.200
  613    HD2  PRO  72           HD2      PRO  72 102.516 -23.296   3.451
  614    HD3  PRO  72           HD1      PRO  72 104.278 -23.457   3.279
  615    H    GLU  73           HN       GLU  73 103.167 -24.401   8.777
  616    HA   GLU  73           HA       GLU  73 100.263 -24.178   8.580
  617    HB2  GLU  73           HB2      GLU  73 102.124 -25.192  10.731
  618    HB3  GLU  73           HB1      GLU  73 100.381 -25.052  10.962
  619    HG2  GLU  73           HG2      GLU  73  99.984 -26.532   9.048
  620    HG3  GLU  73           HG1      GLU  73 101.719 -26.638   8.752
  621    H    LYS  74           HN       LYS  74 102.987 -22.581  10.121
  622    HA   LYS  74           HA       LYS  74 101.593 -21.008  11.984
  623    HB2  LYS  74           HB2      LYS  74 104.149 -20.402  10.479
  624    HB3  LYS  74           HB1      LYS  74 103.573 -19.516  11.891
  625    HG2  LYS  74           HG2      LYS  74 104.217 -21.151  13.326
  626    HG3  LYS  74           HG1      LYS  74 103.631 -22.434  12.266
  627    HD2  LYS  74           HD2      LYS  74 106.058 -22.598  12.458
  628    HD3  LYS  74           HD1      LYS  74 105.637 -22.102  10.819
  629    HE2  LYS  74           HE2      LYS  74 106.201 -19.817  11.267
  630    HE3  LYS  74           HE1      LYS  74 106.324 -20.121  13.000
  631    HZ1  LYS  74           HZ1      LYS  74 108.149 -21.727  12.420
  632    HZ2  LYS  74           HZ2      LYS  74 108.511 -20.084  12.181
  633    HZ3  LYS  74           HZ3      LYS  74 108.128 -21.075  10.854
  634    H    VAL  75           HN       VAL  75 102.551 -20.293   8.629
  635    HA   VAL  75           HA       VAL  75 102.079 -18.307   7.429
  636    HB   VAL  75           HB       VAL  75  99.460 -19.747   7.896
  637   HG11  VAL  75          HG11      VAL  75 100.226 -17.434   6.145
  638   HG12  VAL  75          HG12      VAL  75  98.731 -17.709   7.039
  639   HG13  VAL  75          HG13      VAL  75  99.047 -18.604   5.552
  640   HG21  VAL  75          HG21      VAL  75 101.550 -20.869   6.798
  641   HG22  VAL  75          HG22      VAL  75 101.185 -19.820   5.427
  642   HG23  VAL  75          HG23      VAL  75  99.993 -20.998   5.978
  643    HA   PRO  76           HA       PRO  76 100.908 -15.646  11.019
  644    HB2  PRO  76           HB2      PRO  76 102.493 -13.767   9.340
  645    HB3  PRO  76           HB1      PRO  76 102.605 -14.097  11.080
  646    HG2  PRO  76           HG2      PRO  76 104.445 -14.999   9.398
  647    HG3  PRO  76           HG1      PRO  76 103.907 -15.969  10.778
  648    HD2  PRO  76           HD2      PRO  76 103.193 -16.266   7.880
  649    HD3  PRO  76           HD1      PRO  76 103.467 -17.532   9.097
  650    H    VAL  77           HN       VAL  77  98.955 -14.696  10.982
  651    HA   VAL  77           HA       VAL  77  97.764 -13.870   8.469
  652    HB   VAL  77           HB       VAL  77  96.694 -13.835  11.301
  653   HG11  VAL  77          HG11      VAL  77  95.645 -12.858   8.707
  654   HG12  VAL  77          HG12      VAL  77  95.227 -12.366  10.348
  655   HG13  VAL  77          HG13      VAL  77  94.526 -13.831   9.662
  656   HG21  VAL  77          HG21      VAL  77  96.161 -16.003  10.969
  657   HG22  VAL  77          HG22      VAL  77  97.162 -15.962   9.517
  658   HG23  VAL  77          HG23      VAL  77  95.433 -15.634   9.405
  659    H    THR  78           HN       THR  78  99.360 -12.406  11.164
  660    HA   THR  78           HA       THR  78  98.378  -9.856  11.305
  661    HB   THR  78           HB       THR  78 100.552  -9.147  12.027
  662    HG1  THR  78           HG1      THR  78 102.096  -9.769  10.755
  663   HG21  THR  78          HG21      THR  78 100.864 -11.973  12.810
  664   HG22  THR  78          HG22      THR  78  99.254 -11.311  13.084
  665   HG23  THR  78          HG23      THR  78 100.659 -10.541  13.818
  666    H    ALA  79           HN       ALA  79 100.104 -11.327   8.661
  667    HA   ALA  79           HA       ALA  79 100.983  -9.064   7.271
  668    HB1  ALA  79           HB1      ALA  79 100.294 -10.745   5.250
  669    HB2  ALA  79           HB2      ALA  79 100.369 -11.874   6.602
  670    HB3  ALA  79           HB3      ALA  79 101.778 -10.897   6.191
  671    H    PHE  80           HN       PHE  80  97.792 -10.445   7.613
  672    HA   PHE  80           HA       PHE  80  96.535  -9.180   5.419
  673    HB2  PHE  80           HB2      PHE  80  95.536 -11.047   6.719
  674    HB3  PHE  80           HB1      PHE  80  95.315  -9.948   8.081
  675    HD1  PHE  80           HD1      PHE  80  94.439 -10.441   4.485
  676    HD2  PHE  80           HD2      PHE  80  93.443  -8.509   8.189
  677    HE1  PHE  80           HE1      PHE  80  92.315  -9.634   3.493
  678    HE2  PHE  80           HE2      PHE  80  91.318  -7.702   7.197
  679    HZ   PHE  80           HZ       PHE  80  90.754  -8.265   4.849
  680    H    SER  81           HN       SER  81  97.142  -8.148   8.745
  681    HA   SER  81           HA       SER  81  95.547  -5.800   8.658
  682    HB2  SER  81           HB2      SER  81  97.976  -6.379  10.368
  683    HB3  SER  81           HB1      SER  81  96.764  -5.138  10.670
  684    HG   SER  81           HG       SER  81  95.226  -6.777  10.901
  685    H    TYR  82           HN       TYR  82  98.938  -6.458   7.906
  686    HA   TYR  82           HA       TYR  82  99.888  -3.856   7.632
  687    HB2  TYR  82           HB2      TYR  82 100.634  -6.507   6.522
  688    HB3  TYR  82           HB1      TYR  82 101.272  -5.093   5.685
  689    HD1  TYR  82           HD1      TYR  82 102.622  -3.397   6.944
  690    HD2  TYR  82           HD2      TYR  82 101.419  -7.129   8.699
  691    HE1  TYR  82           HE1      TYR  82 104.320  -3.105   8.728
  692    HE2  TYR  82           HE2      TYR  82 103.117  -6.837  10.483
  693    HH   TYR  82           HH       TYR  82 105.454  -4.199  10.382
  694    H    TRP  83           HN       TRP  83  98.444  -5.949   5.130
  695    HA   TRP  83           HA       TRP  83  98.579  -4.093   3.025
  696    HB2  TRP  83           HB2      TRP  83  96.378  -6.133   3.321
  697    HB3  TRP  83           HB1      TRP  83  97.133  -5.541   1.840
  698    HD1  TRP  83           HD1      TRP  83 100.106  -5.800   3.454
  699    HE1  TRP  83           HE1      TRP  83 101.194  -8.137   3.391
  700    HE3  TRP  83           HE3      TRP  83  96.033  -8.640   2.259
  701    HZ2  TRP  83           HZ2      TRP  83 100.439 -10.850   2.898
  702    HZ3  TRP  83           HZ3      TRP  83  96.245 -11.096   1.999
  703    HH2  TRP  83           HH2      TRP  83  98.441 -12.204   2.317
  704    H    ASN  84           HN       ASN  84  96.057  -4.697   5.440
  705    HA   ASN  84           HA       ASN  84  94.130  -2.933   4.330
  706    HB2  ASN  84           HB2      ASN  84  94.528  -4.128   7.066
  707    HB3  ASN  84           HB1      ASN  84  93.222  -2.989   6.741
  708   HD21  ASN  84          HD21      ASN  84  92.233  -5.376   7.425
  709   HD22  ASN  84          HD22      ASN  84  91.738  -6.287   6.080
  710    H    LEU  85           HN       LEU  85  96.594  -2.527   6.857
  711    HA   LEU  85           HA       LEU  85  95.873   0.148   7.513
  712    HB2  LEU  85           HB2      LEU  85  97.169  -1.310   9.030
  713    HB3  LEU  85           HB1      LEU  85  98.522  -1.267   7.898
  714    HG   LEU  85           HG       LEU  85  98.621   1.198   8.129
  715   HD11  LEU  85          HD11      LEU  85  96.178   0.652   9.743
  716   HD12  LEU  85          HD12      LEU  85  96.562   2.035   8.719
  717   HD13  LEU  85          HD13      LEU  85  97.260   1.913  10.335
  718   HD21  LEU  85          HD21      LEU  85  98.633  -0.162  10.840
  719   HD22  LEU  85          HD22      LEU  85  99.600   1.227  10.341
  720   HD23  LEU  85          HD23      LEU  85  99.914  -0.362   9.644
  721    H    ILE  86           HN       ILE  86  98.588  -1.176   5.607
  722    HA   ILE  86           HA       ILE  86  99.619   1.296   4.754
  723    HB   ILE  86           HB       ILE  86  99.864  -1.534   3.880
  724   HG12  ILE  86          HG12      ILE  86 102.102   0.439   4.019
  725   HG13  ILE  86          HG11      ILE  86 101.297   0.018   5.531
  726   HG21  ILE  86          HG21      ILE  86 101.361  -0.602   1.969
  727   HG22  ILE  86          HG22      ILE  86 100.393   0.864   2.131
  728   HG23  ILE  86          HG23      ILE  86  99.618  -0.662   1.704
  729   HD11  ILE  86          HD11      ILE  86 102.483  -1.962   3.561
  730   HD12  ILE  86          HD12      ILE  86 101.690  -2.373   5.083
  731   HD13  ILE  86          HD13      ILE  86 103.212  -1.483   5.093
  732    H    LYS  87           HN       LYS  87  97.172  -0.834   3.332
  733    HA   LYS  87           HA       LYS  87  96.792   0.342   0.867
  734    HB2  LYS  87           HB2      LYS  87  95.534  -1.604   1.354
  735    HB3  LYS  87           HB1      LYS  87  94.823  -0.880   2.797
  736    HG2  LYS  87           HG2      LYS  87  93.494   0.629   1.493
  737    HG3  LYS  87           HG1      LYS  87  94.368   0.224   0.017
  738    HD2  LYS  87           HD2      LYS  87  93.513  -2.091   0.145
  739    HD3  LYS  87           HD1      LYS  87  92.628  -1.679   1.614
  740    HE2  LYS  87           HE2      LYS  87  91.271  -0.066   0.413
  741    HE3  LYS  87           HE1      LYS  87  92.234  -0.284  -1.048
  742    HZ1  LYS  87           HZ1      LYS  87  90.324  -1.600  -1.321
  743    HZ2  LYS  87           HZ2      LYS  87  90.425  -2.236   0.251
  744    HZ3  LYS  87           HZ3      LYS  87  91.562  -2.690  -0.927
  745    H    GLU  88           HN       GLU  88  95.255   1.280   3.946
  746    HA   GLU  88           HA       GLU  88  94.056   3.623   2.710
  747    HB2  GLU  88           HB2      GLU  88  92.751   3.773   4.593
  748    HB3  GLU  88           HB1      GLU  88  93.164   2.060   4.681
  749    HG2  GLU  88           HG2      GLU  88  93.689   2.795   6.838
  750    HG3  GLU  88           HG1      GLU  88  95.249   2.901   6.023
  751    H    LEU  89           HN       LEU  89  96.953   2.812   4.338
  752    HA   LEU  89           HA       LEU  89  97.547   5.148   5.752
  753    HB2  LEU  89           HB2      LEU  89  98.868   3.031   5.838
  754    HB3  LEU  89           HB1      LEU  89  99.513   3.412   4.240
  755    HG   LEU  89           HG       LEU  89 100.408   5.547   5.126
  756   HD11  LEU  89          HD11      LEU  89  99.221   6.260   6.953
  757   HD12  LEU  89          HD12      LEU  89 100.463   5.362   7.825
  758   HD13  LEU  89          HD13      LEU  89  98.895   4.619   7.509
  759   HD21  LEU  89          HD21      LEU  89 101.659   3.903   7.115
  760   HD22  LEU  89          HD22      LEU  89 102.281   4.361   5.529
  761   HD23  LEU  89          HD23      LEU  89 101.307   2.903   5.706
  762    H    ILE  90           HN       ILE  90  98.082   4.343   2.339
  763    HA   ILE  90           HA       ILE  90  99.520   6.667   1.641
  764    HB   ILE  90           HB       ILE  90  97.751   4.841   0.003
  765   HG12  ILE  90          HG12      ILE  90 100.750   5.105   0.387
  766   HG13  ILE  90          HG11      ILE  90  99.735   3.749   0.882
  767   HG21  ILE  90          HG21      ILE  90  99.571   7.115  -0.838
  768   HG22  ILE  90          HG22      ILE  90  97.837   6.977  -1.132
  769   HG23  ILE  90          HG23      ILE  90  98.960   5.888  -1.948
  770   HD11  ILE  90          HD11      ILE  90 100.706   4.499  -1.836
  771   HD12  ILE  90          HD12      ILE  90  99.090   3.801  -1.721
  772   HD13  ILE  90          HD13      ILE  90 100.483   2.901  -1.123
  773    H    ASP  91           HN       ASP  91  96.047   5.944   1.626
  774    HA   ASP  91           HA       ASP  91  95.235   8.407   0.462
  775    HB2  ASP  91           HB2      ASP  91  93.774   6.372   2.150
  776    HB3  ASP  91           HB1      ASP  91  92.991   7.792   1.459
  777    H    LYS  92           HN       LYS  92  96.522   7.680   3.491
  778    HA   LYS  92           HA       LYS  92  95.098   9.461   5.167
  779    HB2  LYS  92           HB2      LYS  92  96.866   7.600   5.729
  780    HB3  LYS  92           HB1      LYS  92  98.018   8.926   5.564
  781    HG2  LYS  92           HG2      LYS  92  96.838  10.228   7.247
  782    HG3  LYS  92           HG1      LYS  92  95.568   9.008   7.347
  783    HD2  LYS  92           HD2      LYS  92  97.244   7.348   8.118
  784    HD3  LYS  92           HD1      LYS  92  98.484   8.601   8.071
  785    HE2  LYS  92           HE2      LYS  92  97.232   9.922   9.727
  786    HE3  LYS  92           HE1      LYS  92  95.969   8.693   9.762
  787    HZ1  LYS  92           HZ1      LYS  92  97.433   7.132  10.694
  788    HZ2  LYS  92           HZ2      LYS  92  97.698   8.565  11.566
  789    HZ3  LYS  92           HZ3      LYS  92  98.800   8.080  10.367
  790    H    LYS  93           HN       LYS  93  95.161  11.614   5.369
  791    HA   LYS  93           HA       LYS  93  96.391  13.268   3.468
  792    HB2  LYS  93           HB2      LYS  93  94.435  13.915   4.867
  793    HB3  LYS  93           HB1      LYS  93  95.510  14.037   6.260
  794    HG2  LYS  93           HG2      LYS  93  96.823  15.767   5.136
  795    HG3  LYS  93           HG1      LYS  93  95.829  15.611   3.688
  796    HD2  LYS  93           HD2      LYS  93  93.837  16.293   4.994
  797    HD3  LYS  93           HD1      LYS  93  94.854  16.489   6.423
  798    HE2  LYS  93           HE2      LYS  93  96.195  18.191   5.230
  799    HE3  LYS  93           HE1      LYS  93  95.157  18.009   3.816
  800    HZ1  LYS  93           HZ1      LYS  93  94.035  18.670   6.466
  801    HZ2  LYS  93           HZ2      LYS  93  93.346  18.907   4.931
  802    HZ3  LYS  93           HZ3      LYS  93  94.638  19.882   5.443
  803    H    GLU  94           HN       GLU  94  97.530  12.021   6.527
  804    HA   GLU  94           HA       GLU  94  99.709  13.853   6.832
  805    HB2  GLU  94           HB2      GLU  94  99.163  11.133   8.038
  806    HB3  GLU  94           HB1      GLU  94 100.524  12.158   8.496
  807    HG2  GLU  94           HG2      GLU  94  99.011  13.930   9.203
  808    HG3  GLU  94           HG1      GLU  94  97.618  13.011   8.633
  809    H    VAL  95           HN       VAL  95  99.959  13.250   4.274
  810    HA   VAL  95           HA       VAL  95 101.707  10.983   3.837
  811    HB   VAL  95           HB       VAL  95 101.831  11.847   1.522
  812   HG11  VAL  95          HG11      VAL  95  98.943  12.105   2.202
  813   HG12  VAL  95          HG12      VAL  95  99.748  10.617   2.703
  814   HG13  VAL  95          HG13      VAL  95  99.729  11.080   1.000
  815   HG21  VAL  95          HG21      VAL  95 101.764  14.255   2.077
  816   HG22  VAL  95          HG22      VAL  95 100.099  14.081   2.632
  817   HG23  VAL  95          HG23      VAL  95 100.490  13.840   0.930
  818    H    ASN  96           HN       ASN  96 103.731  11.620   2.368
  819    HA   ASN  96           HA       ASN  96 105.191  13.805   3.717
  820    HB2  ASN  96           HB2      ASN  96 106.748  12.415   4.541
  821    HB3  ASN  96           HB1      ASN  96 105.653  11.090   4.148
  822   HD21  ASN  96          HD21      ASN  96 106.677   9.511   2.924
  823   HD22  ASN  96          HD22      ASN  96 107.893   9.801   1.777
  824    HA   PRO  97           HA       PRO  97 106.726  15.569   0.073
  825    HB2  PRO  97           HB2      PRO  97 109.362  14.214   0.501
  826    HB3  PRO  97           HB1      PRO  97 109.015  15.917   0.143
  827    HG2  PRO  97           HG2      PRO  97 109.587  14.941   2.633
  828    HG3  PRO  97           HG1      PRO  97 108.687  16.432   2.316
  829    HD2  PRO  97           HD2      PRO  97 107.687  13.955   3.521
  830    HD3  PRO  97           HD1      PRO  97 106.801  15.478   3.295
  831    H    GLN  98           HN       GLN  98 107.593  12.175   0.570
  832    HA   GLN  98           HA       GLN  98 108.328  11.345  -1.934
  833    HB2  GLN  98           HB2      GLN  98 107.720   9.171  -1.299
  834    HB3  GLN  98           HB1      GLN  98 107.998   9.979   0.243
  835    HG2  GLN  98           HG2      GLN  98 105.480  10.540   0.193
  836    HG3  GLN  98           HG1      GLN  98 105.365   9.321  -1.075
  837   HE21  GLN  98          HE21      GLN  98 103.962   8.703   1.185
  838   HE22  GLN  98          HE22      GLN  98 104.770   7.527   2.107
  839    H    VAL  99           HN       VAL  99 105.376  12.771  -1.071
  840    HA   VAL  99           HA       VAL  99 103.582  11.536  -2.862
  841    HB   VAL  99           HB       VAL  99 103.659  14.349  -1.750
  842   HG11  VAL  99          HG11      VAL  99 102.247  14.637  -3.571
  843   HG12  VAL  99          HG12      VAL  99 101.099  14.052  -2.367
  844   HG13  VAL  99          HG13      VAL  99 101.743  12.947  -3.581
  845   HG21  VAL  99          HG21      VAL  99 102.676  13.459   0.082
  846   HG22  VAL  99          HG22      VAL  99 103.133  11.878  -0.551
  847   HG23  VAL  99          HG23      VAL  99 101.536  12.538  -0.899
  848    H    MET 100           HN       MET 100 105.665  14.397  -3.237
  849    HA   MET 100           HA       MET 100 104.884  14.981  -5.900
  850    HB2  MET 100           HB2      MET 100 107.300  15.695  -4.243
  851    HB3  MET 100           HB1      MET 100 107.139  16.213  -5.922
  852    HG2  MET 100           HG2      MET 100 104.955  17.261  -5.369
  853    HG3  MET 100           HG1      MET 100 105.179  16.796  -3.682
  854    HE1  MET 100           HE1      MET 100 108.279  17.395  -2.966
  855    HE2  MET 100           HE2      MET 100 106.710  17.496  -2.170
  856    HE3  MET 100           HE3      MET 100 107.762  18.909  -2.212
  857    H    ALA 101           HN       ALA 101 107.372  12.911  -4.512
  858    HA   ALA 101           HA       ALA 101 108.536  12.302  -7.100
  859    HB1  ALA 101           HB1      ALA 101 109.023  11.063  -4.381
  860    HB2  ALA 101           HB2      ALA 101 109.955  12.382  -5.091
  861    HB3  ALA 101           HB3      ALA 101 109.988  10.780  -5.830
  862    H    ALA 102           HN       ALA 102 106.014  11.105  -5.093
  863    HA   ALA 102           HA       ALA 102 106.010   8.395  -5.997
  864    HB1  ALA 102           HB1      ALA 102 104.892   8.921  -3.935
  865    HB2  ALA 102           HB2      ALA 102 103.662   8.403  -5.087
  866    HB3  ALA 102           HB3      ALA 102 103.870  10.117  -4.732
  867    H    VAL 103           HN       VAL 103 104.063  11.251  -6.874
  868    HA   VAL 103           HA       VAL 103 102.447  10.157  -8.826
  869    HB   VAL 103           HB       VAL 103 103.742  12.879  -8.652
  870   HG11  VAL 103          HG11      VAL 103 101.869  13.468 -10.327
  871   HG12  VAL 103          HG12      VAL 103 101.814  11.741 -10.680
  872   HG13  VAL 103          HG13      VAL 103 103.295  12.654 -10.969
  873   HG21  VAL 103          HG21      VAL 103 100.843  12.675  -8.473
  874   HG22  VAL 103          HG22      VAL 103 101.984  13.373  -7.323
  875   HG23  VAL 103          HG23      VAL 103 101.631  11.646  -7.277
  876    H    ALA 104           HN       ALA 104 105.855  10.546  -8.862
  877    HA   ALA 104           HA       ALA 104 106.360  10.770 -11.621
  878    HB1  ALA 104           HB1      ALA 104 108.079   9.220  -9.684
  879    HB2  ALA 104           HB2      ALA 104 108.023  10.983  -9.696
  880    HB3  ALA 104           HB3      ALA 104 108.587  10.108 -11.120
  881    H    GLN 105           HN       GLN 105 105.781   7.954  -9.562
  882    HA   GLN 105           HA       GLN 105 105.600   5.704 -10.075
  883    HB2  GLN 105           HB2      GLN 105 104.044   6.980 -12.338
  884    HB3  GLN 105           HB1      GLN 105 103.944   5.280 -11.878
  885    HG2  GLN 105           HG2      GLN 105 103.181   5.911  -9.632
  886    HG3  GLN 105           HG1      GLN 105 103.319   7.618 -10.052
  887   HE21  GLN 105          HE21      GLN 105 100.874   7.485  -9.444
  888   HE22  GLN 105          HE22      GLN 105  99.803   7.083 -10.698
  889    H    THR 106           HN       THR 106 105.088   5.134 -13.111
  890    HA   THR 106           HA       THR 106 107.660   4.105 -13.670
  891    HB   THR 106           HB       THR 106 105.503   4.684 -15.705
  892    HG1  THR 106           HG1      THR 106 105.448   2.194 -14.799
  893   HG21  THR 106          HG21      THR 106 107.220   2.247 -15.682
  894   HG22  THR 106          HG22      THR 106 107.979   3.770 -16.148
  895   HG23  THR 106          HG23      THR 106 106.590   3.165 -17.049
  896    H    GLU 107           HN       GLU 107 105.921   6.922 -14.991
  897    HA   GLU 107           HA       GLU 107 108.519   8.152 -15.608
  898    HB2  GLU 107           HB2      GLU 107 106.223   7.891 -17.564
  899    HB3  GLU 107           HB1      GLU 107 107.656   8.887 -17.819
  900    HG2  GLU 107           HG2      GLU 107 109.085   6.889 -17.638
  901    HG3  GLU 107           HG1      GLU 107 107.659   5.888 -17.372
  902    H    GLU 108           HN       GLU 108 108.385  10.475 -15.916
  903    HA   GLU 108           HA       GLU 108 106.487  11.680 -14.105
  904    HB2  GLU 108           HB2      GLU 108 108.707  12.826 -15.808
  905    HB3  GLU 108           HB1      GLU 108 107.707  13.793 -14.724
  906    HG2  GLU 108           HG2      GLU 108 108.396  12.359 -12.826
  907    HG3  GLU 108           HG1      GLU 108 109.427  11.432 -13.914
  908    H    ILE 109           HN       ILE 109 104.588  12.550 -14.625
  909    HA   ILE 109           HA       ILE 109 103.423  12.414 -17.148
  910    HB   ILE 109           HB       ILE 109 101.751  14.025 -16.258
  911   HG12  ILE 109          HG12      ILE 109 103.557  14.110 -13.822
  912   HG13  ILE 109          HG11      ILE 109 103.467  15.405 -15.017
  913   HG21  ILE 109          HG21      ILE 109 101.368  11.760 -15.658
  914   HG22  ILE 109          HG22      ILE 109 101.254  12.647 -14.138
  915   HG23  ILE 109          HG23      ILE 109 102.720  11.748 -14.526
  916   HD11  ILE 109          HD11      ILE 109 101.251  14.395 -13.219
  917   HD12  ILE 109          HD12      ILE 109 100.958  15.458 -14.596
  918   HD13  ILE 109          HD13      ILE 109 101.960  16.010 -13.253
  919    H    LEU 110           HN       LEU 110 105.537  14.820 -15.785
  920    HA   LEU 110           HA       LEU 110 104.981  16.976 -17.515
  921    HB2  LEU 110           HB2      LEU 110 107.578  16.193 -16.169
  922    HB3  LEU 110           HB1      LEU 110 107.259  17.755 -16.925
  923    HG   LEU 110           HG       LEU 110 105.610  16.582 -14.668
  924   HD11  LEU 110          HD11      LEU 110 106.748  18.612 -13.464
  925   HD12  LEU 110          HD12      LEU 110 107.974  18.442 -14.721
  926   HD13  LEU 110          HD13      LEU 110 107.642  17.101 -13.625
  927   HD21  LEU 110          HD21      LEU 110 104.183  18.106 -15.660
  928   HD22  LEU 110          HD22      LEU 110 105.502  19.057 -16.339
  929   HD23  LEU 110          HD23      LEU 110 105.094  19.210 -14.631
  930    H    LYS 111           HN       LYS 111 107.169  14.208 -17.820
  931    HA   LYS 111           HA       LYS 111 108.385  15.047 -20.251
  932    HB2  LYS 111           HB2      LYS 111 109.371  13.341 -18.752
  933    HB3  LYS 111           HB1      LYS 111 108.054  12.241 -19.159
  934    HG2  LYS 111           HG2      LYS 111 108.708  12.339 -21.539
  935    HG3  LYS 111           HG1      LYS 111 110.033  13.428 -21.128
  936    HD2  LYS 111           HD2      LYS 111 110.997  11.685 -19.655
  937    HD3  LYS 111           HD1      LYS 111 109.688  10.593 -20.108
  938    HE2  LYS 111           HE2      LYS 111 110.392  10.724 -22.470
  939    HE3  LYS 111           HE1      LYS 111 111.702  11.815 -22.018
  940    HZ1  LYS 111           HZ1      LYS 111 111.711   9.471 -20.412
  941    HZ2  LYS 111           HZ2      LYS 111 112.947  10.112 -21.387
  942    HZ3  LYS 111           HZ3      LYS 111 111.786   9.069 -22.058
  943    H    SER 112           HN       SER 112 105.588  13.008 -19.499
  944    HA   SER 112           HA       SER 112 105.081  12.134 -22.144
  945    HB2  SER 112           HB2      SER 112 102.810  11.610 -21.282
  946    HB3  SER 112           HB1      SER 112 104.087  11.005 -20.233
  947    HG   SER 112           HG       SER 112 102.547  13.371 -19.919
  948    H    ASN 113           HN       ASN 113 103.854  14.883 -20.259
  949    HA   ASN 113           HA       ASN 113 102.043  15.857 -22.190
  950    HB2  ASN 113           HB2      ASN 113 103.595  17.426 -20.119
  951    HB3  ASN 113           HB1      ASN 113 102.130  17.954 -20.943
  952   HD21  ASN 113          HD21      ASN 113 102.799  17.188 -17.980
  953   HD22  ASN 113          HD22      ASN 113 101.530  16.140 -17.565
  954    H    SER 114           HN       SER 114 105.487  16.471 -21.650
  955    HA   SER 114           HA       SER 114 105.830  17.259 -24.404
  956    HB2  SER 114           HB2      SER 114 106.825  19.492 -23.800
  957    HB3  SER 114           HB1      SER 114 105.078  19.392 -23.597
  958    HG   SER 114           HG       SER 114 105.469  19.964 -21.618
  959    H    GLN 115           HN       GLN 115 108.094  17.575 -24.954
  960    HA   GLN 115           HA       GLN 115 109.845  16.072 -23.121
  961    HB2  GLN 115           HB2      GLN 115 111.242  15.670 -25.116
  962    HB3  GLN 115           HB1      GLN 115 109.586  15.114 -25.362
  963    HG2  GLN 115           HG2      GLN 115 109.042  17.141 -26.601
  964    HG3  GLN 115           HG1      GLN 115 110.640  17.807 -26.269
  965   HE21  GLN 115          HE21      GLN 115 109.206  16.884 -28.881
  966   HE22  GLN 115          HE22      GLN 115 110.365  15.891 -29.625
  967    H    THR 116           HN       THR 116 109.124  19.092 -23.286
  968    HA   THR 116           HA       THR 116 111.442  20.516 -24.027
  969    HB   THR 116           HB       THR 116 109.569  21.350 -21.815
  970    HG1  THR 116           HG1      THR 116 109.078  21.971 -24.489
  971   HG21  THR 116          HG21      THR 116 110.761  23.036 -24.006
  972   HG22  THR 116          HG22      THR 116 111.692  22.651 -22.559
  973   HG23  THR 116          HG23      THR 116 110.175  23.539 -22.420
  974    H    ASP 117           HN       ASP 117 110.400  19.191 -20.897
  975    HA   ASP 117           HA       ASP 117 112.600  20.159 -19.399
  976    HB2  ASP 117           HB2      ASP 117 110.582  17.972 -18.999
  977    HB3  ASP 117           HB1      ASP 117 111.935  18.146 -17.884
  978    H    LEU 118           HN       LEU 118 112.042  17.145 -21.169
  979    HA   LEU 118           HA       LEU 118 114.908  16.502 -20.810
  980    HB2  LEU 118           HB2      LEU 118 112.601  14.557 -21.065
  981    HB3  LEU 118           HB1      LEU 118 114.304  14.126 -20.908
  982    HG   LEU 118           HG       LEU 118 112.722  15.716 -18.866
  983   HD11  LEU 118          HD11      LEU 118 113.154  12.830 -19.294
  984   HD12  LEU 118          HD12      LEU 118 111.917  13.653 -18.344
  985   HD13  LEU 118          HD13      LEU 118 113.521  13.384 -17.662
  986   HD21  LEU 118          HD21      LEU 118 114.911  16.376 -18.489
  987   HD22  LEU 118          HD22      LEU 118 115.585  14.892 -19.160
  988   HD23  LEU 118          HD23      LEU 118 114.885  14.889 -17.542
  989    H    GLU 119           HN       GLU 119 116.010  16.585 -22.650
  990    HA   GLU 119           HA       GLU 119 114.540  16.302 -25.195
  991    HB2  GLU 119           HB2      GLU 119 117.227  17.582 -24.635
  992    HB3  GLU 119           HB1      GLU 119 116.428  17.514 -26.205
  993    HG2  GLU 119           HG2      GLU 119 115.800  19.629 -25.420
  994    HG3  GLU 119           HG1      GLU 119 114.424  18.630 -24.955
  995    H    HIS 120           HN       HIS 120 114.937  14.614 -26.484
  996    HA   HIS 120           HA       HIS 120 117.261  12.899 -25.843
  997    HB2  HIS 120           HB2      HIS 120 114.557  12.186 -27.002
  998    HB3  HIS 120           HB1      HIS 120 115.912  11.062 -26.884
  999    HD1  HIS 120           HD1      HIS 120 116.891  10.768 -24.338
 1000    HD2  HIS 120           HD2      HIS 120 113.038  12.320 -24.689
 1001    HE1  HIS 120           HE1      HIS 120 115.803  10.503 -22.066
 1002    HE2  HIS 120           HE2      HIS 120 113.453  11.445 -22.265
 1003    H    HIS 121           HN       HIS 121 118.788  12.723 -27.349
 1004    HA   HIS 121           HA       HIS 121 118.125  13.535 -30.116
 1005    HB2  HIS 121           HB2      HIS 121 120.740  13.709 -28.602
 1006    HB3  HIS 121           HB1      HIS 121 120.562  14.058 -30.322
 1007    HD1  HIS 121           HD1      HIS 121 120.265  15.603 -27.032
 1008    HD2  HIS 121           HD2      HIS 121 118.617  16.271 -30.803
 1009    HE1  HIS 121           HE1      HIS 121 119.307  17.947 -26.990
 1010    HE2  HIS 121           HE2      HIS 121 118.298  18.369 -29.282
 1011    H    HIS 122           HN       HIS 122 118.964  12.316 -31.833
 1012    HA   HIS 122           HA       HIS 122 119.229   9.505 -31.318
 1013    HB2  HIS 122           HB2      HIS 122 119.191  11.260 -33.729
 1014    HB3  HIS 122           HB1      HIS 122 119.900   9.653 -33.890
 1015    HD1  HIS 122           HD1      HIS 122 116.670  11.323 -32.785
 1016    HD2  HIS 122           HD2      HIS 122 118.036   7.583 -34.017
 1017    HE1  HIS 122           HE1      HIS 122 114.618   9.862 -33.046
 1018    HE2  HIS 122           HE2      HIS 122 115.435   7.577 -33.797
 1019    H    HIS 123           HN       HIS 123 121.434  12.139 -32.100
 1020    HA   HIS 123           HA       HIS 123 123.728  10.678 -32.735
 1021    HB2  HIS 123           HB2      HIS 123 123.463  13.328 -31.295
 1022    HB3  HIS 123           HB1      HIS 123 124.975  12.687 -31.938
 1023    HD1  HIS 123           HD1      HIS 123 121.693  14.160 -32.991
 1024    HD2  HIS 123           HD2      HIS 123 125.156  12.692 -34.790
 1025    HE1  HIS 123           HE1      HIS 123 121.577  14.840 -35.429
 1026    HE2  HIS 123           HE2      HIS 123 123.681  13.951 -36.539
 1027    H    HIS 124           HN       HIS 124 122.418  11.628 -29.584
 1028    HA   HIS 124           HA       HIS 124 124.594  10.651 -28.036
 1029    HB2  HIS 124           HB2      HIS 124 121.816  11.559 -27.519
 1030    HB3  HIS 124           HB1      HIS 124 122.536  10.503 -26.304
 1031    HD1  HIS 124           HD1      HIS 124 124.720  11.357 -25.116
 1032    HD2  HIS 124           HD2      HIS 124 122.946  14.144 -27.659
 1033    HE1  HIS 124           HE1      HIS 124 125.790  13.591 -24.587
 1034    HE2  HIS 124           HE2      HIS 124 124.718  15.302 -26.130
 1035    H    HIS 125           HN       HIS 125 121.589   9.205 -29.203
 1036    HA   HIS 125           HA       HIS 125 120.830   7.036 -29.213
 1037    HB2  HIS 125           HB2      HIS 125 123.820   6.652 -29.263
 1038    HB3  HIS 125           HB1      HIS 125 122.703   5.287 -29.322
 1039    HD1  HIS 125           HD1      HIS 125 124.452   7.501 -31.513
 1040    HD2  HIS 125           HD2      HIS 125 120.642   5.809 -31.544
 1041    HE1  HIS 125           HE1      HIS 125 123.618   7.656 -33.899
 1042    HE2  HIS 125           HE2      HIS 125 121.297   6.629 -33.934
  Start of MODEL    8
    1    H21  MYR   1          1H2       MYR   1 118.647   6.212   1.164
    2    H22  MYR   1          2H2       MYR   1 118.105   7.283   2.262
    3    H31  MYR   1          1H3       MYR   1 116.920   8.390   0.392
    4    H32  MYR   1          2H3       MYR   1 117.237   7.053  -0.483
    5    H41  MYR   1          1H4       MYR   1 115.451   6.128   0.351
    6    H42  MYR   1          2H4       MYR   1 116.148   6.161   1.822
    7    H51  MYR   1          1H5       MYR   1 115.285   8.563   1.817
    8    H52  MYR   1          2H5       MYR   1 114.182   7.961   0.776
    9    H61  MYR   1          1H6       MYR   1 114.670   6.753   3.348
   10    H62  MYR   1          2H6       MYR   1 113.553   7.924   3.159
   11    H71  MYR   1          1H7       MYR   1 112.314   6.546   1.719
   12    H72  MYR   1          2H7       MYR   1 113.441   5.376   1.834
   13    H81  MYR   1          1H8       MYR   1 112.877   5.291   4.231
   14    H82  MYR   1          2H8       MYR   1 111.557   6.166   3.845
   15    H91  MYR   1          1H9       MYR   1 111.547   4.018   2.191
   16    H92  MYR   1          2H9       MYR   1 111.857   3.441   3.682
   17   H101  MYR   1          1H10      MYR   1 109.859   4.821   4.357
   18   H102  MYR   1          2H10      MYR   1 109.480   4.754   2.775
   19   H111  MYR   1          1H11      MYR   1 109.624   2.288   3.004
   20   H112  MYR   1          2H11      MYR   1 109.599   2.534   4.613
   21   H121  MYR   1          1H12      MYR   1 107.430   2.813   4.608
   22   H122  MYR   1          2H12      MYR   1 107.517   3.922   3.419
   23   H131  MYR   1          1H13      MYR   1 106.580   2.475   2.081
   24   H132  MYR   1          2H13      MYR   1 107.929   1.571   2.175
   25   H141  MYR   1          1H14      MYR   1 105.858   0.399   2.761
   26   H142  MYR   1          2H14      MYR   1 107.061   0.268   3.857
   27   H143  MYR   1          3H14      MYR   1 105.829   1.308   4.119
   28    H    GLY   2           HN       GLY   2 120.543   6.395   1.024
   29    HA2  GLY   2           HA2      GLY   2 122.447   7.323   1.954
   30    HA3  GLY   2           HA1      GLY   2 121.810   8.915   1.552
   31    H    GLN   3           HN       GLN   3 121.853  10.082   3.388
   32    HA   GLN   3           HA       GLN   3 121.712   9.077   6.003
   33    HB2  GLN   3           HB2      GLN   3 121.021  11.828   4.939
   34    HB3  GLN   3           HB1      GLN   3 121.237  11.437   6.646
   35    HG2  GLN   3           HG2      GLN   3 123.349  10.996   4.516
   36    HG3  GLN   3           HG1      GLN   3 123.296  12.396   5.584
   37   HE21  GLN   3          HE21      GLN   3 124.917   9.568   5.282
   38   HE22  GLN   3          HE22      GLN   3 125.164   9.183   6.917
   39    H    GLU   4           HN       GLU   4 119.206  10.210   3.814
   40    HA   GLU   4           HA       GLU   4 117.003  10.506   5.388
   41    HB2  GLU   4           HB2      GLU   4 117.175   9.025   2.758
   42    HB3  GLU   4           HB1      GLU   4 115.678   9.590   3.498
   43    HG2  GLU   4           HG2      GLU   4 116.394  11.890   3.370
   44    HG3  GLU   4           HG1      GLU   4 118.007  11.411   2.849
   45    H    LEU   5           HN       LEU   5 118.861   7.673   4.955
   46    HA   LEU   5           HA       LEU   5 117.205   5.543   5.308
   47    HB2  LEU   5           HB2      LEU   5 119.693   5.387   5.239
   48    HB3  LEU   5           HB1      LEU   5 119.751   5.990   6.894
   49    HG   LEU   5           HG       LEU   5 118.384   4.042   7.634
   50   HD11  LEU   5          HD11      LEU   5 117.126   3.275   5.848
   51   HD12  LEU   5          HD12      LEU   5 118.459   2.122   5.800
   52   HD13  LEU   5          HD13      LEU   5 118.439   3.493   4.690
   53   HD21  LEU   5          HD21      LEU   5 120.161   2.327   7.295
   54   HD22  LEU   5          HD22      LEU   5 120.811   3.892   7.784
   55   HD23  LEU   5          HD23      LEU   5 120.914   3.381   6.098
   56    H    SER   6           HN       SER   6 117.969   8.021   7.671
   57    HA   SER   6           HA       SER   6 116.973   6.746   9.979
   58    HB2  SER   6           HB2      SER   6 116.783   9.041  10.891
   59    HB3  SER   6           HB1      SER   6 118.332   8.777  10.095
   60    HG   SER   6           HG       SER   6 117.818  10.376   8.850
   61    H    GLN   7           HN       GLN   7 115.407   8.568   7.408
   62    HA   GLN   7           HA       GLN   7 112.920   9.051   8.534
   63    HB2  GLN   7           HB2      GLN   7 113.694   9.826   6.271
   64    HB3  GLN   7           HB1      GLN   7 113.412   8.190   5.676
   65    HG2  GLN   7           HG2      GLN   7 111.052   8.333   6.281
   66    HG3  GLN   7           HG1      GLN   7 111.305   9.926   6.990
   67   HE21  GLN   7          HE21      GLN   7 109.603   9.082   4.606
   68   HE22  GLN   7          HE22      GLN   7 110.134  10.072   3.335
   69    H    HIS   8           HN       HIS   8 114.153   6.107   6.967
   70    HA   HIS   8           HA       HIS   8 111.721   4.657   7.070
   71    HB2  HIS   8           HB2      HIS   8 113.713   4.050   5.668
   72    HB3  HIS   8           HB1      HIS   8 114.533   3.543   7.143
   73    HD1  HIS   8           HD1      HIS   8 114.546   1.026   6.803
   74    HD2  HIS   8           HD2      HIS   8 110.749   2.678   6.322
   75    HE1  HIS   8           HE1      HIS   8 112.936  -0.920   6.614
   76    HE2  HIS   8           HE2      HIS   8 110.617   0.071   6.324
   77    H    GLU   9           HN       GLU   9 114.509   4.862   9.266
   78    HA   GLU   9           HA       GLU   9 113.747   2.931  11.132
   79    HB2  GLU   9           HB2      GLU   9 115.206   5.554  11.526
   80    HB3  GLU   9           HB1      GLU   9 115.038   4.335  12.790
   81    HG2  GLU   9           HG2      GLU   9 116.166   2.681  11.395
   82    HG3  GLU   9           HG1      GLU   9 116.264   3.834  10.065
   83    H    ARG  10           HN       ARG  10 112.401   6.044  10.484
   84    HA   ARG  10           HA       ARG  10 110.980   6.228  13.013
   85    HB2  ARG  10           HB2      ARG  10 110.646   7.850  10.480
   86    HB3  ARG  10           HB1      ARG  10 109.908   8.205  12.040
   87    HG2  ARG  10           HG2      ARG  10 112.092   8.477  13.083
   88    HG3  ARG  10           HG1      ARG  10 112.900   8.011  11.587
   89    HD2  ARG  10           HD2      ARG  10 112.918  10.434  11.772
   90    HD3  ARG  10           HD1      ARG  10 111.844   9.967  10.456
   91    HE   ARG  10           HE       ARG  10 110.428  10.226  12.932
   92   HH11  ARG  10          HH11      ARG  10 109.051  12.020  13.133
   93   HH12  ARG  10          HH12      ARG  10 109.226  13.366  12.056
   94   HH21  ARG  10          HH21      ARG  10 111.869  11.959  10.307
   95   HH22  ARG  10          HH22      ARG  10 110.823  13.331  10.456
   96    H    TYR  11           HN       TYR  11 110.062   5.754   9.599
   97    HA   TYR  11           HA       TYR  11 107.334   5.277  10.054
   98    HB2  TYR  11           HB2      TYR  11 108.470   5.663   7.820
   99    HB3  TYR  11           HB1      TYR  11 108.980   3.977   7.882
  100    HD1  TYR  11           HD1      TYR  11 107.439   2.189   7.425
  101    HD2  TYR  11           HD2      TYR  11 106.022   6.223   7.836
  102    HE1  TYR  11           HE1      TYR  11 105.220   1.496   6.570
  103    HE2  TYR  11           HE2      TYR  11 103.800   5.529   6.980
  104    HH   TYR  11           HH       TYR  11 103.146   2.130   6.115
  105    H    VAL  12           HN       VAL  12 110.122   3.137  10.175
  106    HA   VAL  12           HA       VAL  12 108.677   0.681  10.357
  107    HB   VAL  12           HB       VAL  12 111.446   1.552  11.110
  108   HG11  VAL  12          HG11      VAL  12 111.766  -0.994  11.548
  109   HG12  VAL  12          HG12      VAL  12 110.030  -1.003  11.849
  110   HG13  VAL  12          HG13      VAL  12 111.093  -0.003  12.841
  111   HG21  VAL  12          HG21      VAL  12 110.795   1.054   8.742
  112   HG22  VAL  12          HG22      VAL  12 110.390  -0.588   9.241
  113   HG23  VAL  12          HG23      VAL  12 112.055  -0.017   9.355
  114    H    GLU  13           HN       GLU  13 110.256   2.588  12.941
  115    HA   GLU  13           HA       GLU  13 109.074   1.043  15.034
  116    HB2  GLU  13           HB2      GLU  13 110.457   3.726  15.017
  117    HB3  GLU  13           HB1      GLU  13 109.893   2.934  16.489
  118    HG2  GLU  13           HG2      GLU  13 111.296   0.985  16.016
  119    HG3  GLU  13           HG1      GLU  13 111.812   1.703  14.490
  120    H    GLN  14           HN       GLN  14 108.131   3.917  13.309
  121    HA   GLN  14           HA       GLN  14 106.090   4.700  15.176
  122    HB2  GLN  14           HB2      GLN  14 107.239   6.293  13.641
  123    HB3  GLN  14           HB1      GLN  14 106.445   5.502  12.281
  124    HG2  GLN  14           HG2      GLN  14 105.181   7.496  12.901
  125    HG3  GLN  14           HG1      GLN  14 104.228   6.067  13.333
  126   HE21  GLN  14          HE21      GLN  14 103.135   6.839  15.211
  127   HE22  GLN  14          HE22      GLN  14 103.941   7.416  16.589
  128    H    LEU  15           HN       LEU  15 105.679   3.883  11.741
  129    HA   LEU  15           HA       LEU  15 103.030   3.341  11.713
  130    HB2  LEU  15           HB2      LEU  15 104.944   3.023   9.869
  131    HB3  LEU  15           HB1      LEU  15 104.752   1.334  10.320
  132    HG   LEU  15           HG       LEU  15 103.289   1.835   8.436
  133   HD11  LEU  15          HD11      LEU  15 102.516   0.428  10.485
  134   HD12  LEU  15          HD12      LEU  15 101.329   0.924   9.281
  135   HD13  LEU  15          HD13      LEU  15 101.450   1.799  10.809
  136   HD21  LEU  15          HD21      LEU  15 101.517   3.681   9.884
  137   HD22  LEU  15          HD22      LEU  15 102.123   3.773   8.234
  138   HD23  LEU  15          HD23      LEU  15 103.111   4.363   9.565
  139    H    LYS  16           HN       LYS  16 105.569   1.069  12.752
  140    HA   LYS  16           HA       LYS  16 103.822  -1.096  13.281
  141    HB2  LYS  16           HB2      LYS  16 106.539  -0.348  14.356
  142    HB3  LYS  16           HB1      LYS  16 105.707  -1.815  14.841
  143    HG2  LYS  16           HG2      LYS  16 105.549  -2.512  12.483
  144    HG3  LYS  16           HG1      LYS  16 106.388  -1.041  11.995
  145    HD2  LYS  16           HD2      LYS  16 108.349  -1.713  13.307
  146    HD3  LYS  16           HD1      LYS  16 107.521  -3.181  13.819
  147    HE2  LYS  16           HE2      LYS  16 107.352  -3.901  11.464
  148    HE3  LYS  16           HE1      LYS  16 108.193  -2.435  10.958
  149    HZ1  LYS  16           HZ1      LYS  16 109.701  -3.627  12.976
  150    HZ2  LYS  16           HZ2      LYS  16 110.100  -3.460  11.332
  151    HZ3  LYS  16           HZ3      LYS  16 109.291  -4.851  11.877
  152    H    GLN  17           HN       GLN  17 105.002   1.546  15.350
  153    HA   GLN  17           HA       GLN  17 104.018   0.743  17.796
  154    HB2  GLN  17           HB2      GLN  17 104.954   3.168  16.633
  155    HB3  GLN  17           HB1      GLN  17 103.461   3.546  17.487
  156    HG2  GLN  17           HG2      GLN  17 105.833   2.065  18.655
  157    HG3  GLN  17           HG1      GLN  17 105.430   3.754  18.963
  158   HE21  GLN  17          HE21      GLN  17 105.255   0.888  20.487
  159   HE22  GLN  17          HE22      GLN  17 103.795   1.068  21.333
  160    H    ALA  18           HN       ALA  18 102.266   2.630  15.324
  161    HA   ALA  18           HA       ALA  18  99.816   2.719  16.703
  162    HB1  ALA  18           HB1      ALA  18  99.679   4.186  14.974
  163    HB2  ALA  18           HB2      ALA  18  99.035   2.798  14.099
  164    HB3  ALA  18           HB3      ALA  18 100.739   3.230  13.942
  165    H    LEU  19           HN       LEU  19 100.769   0.643  14.021
  166    HA   LEU  19           HA       LEU  19  98.626  -1.055  13.840
  167    HB2  LEU  19           HB2      LEU  19 101.522  -1.410  13.473
  168    HB3  LEU  19           HB1      LEU  19 100.638  -2.919  13.711
  169    HG   LEU  19           HG       LEU  19  99.751  -0.781  11.765
  170   HD11  LEU  19          HD11      LEU  19 102.084  -2.341  11.492
  171   HD12  LEU  19          HD12      LEU  19 101.230  -1.517  10.188
  172   HD13  LEU  19          HD13      LEU  19 100.865  -3.201  10.555
  173   HD21  LEU  19          HD21      LEU  19  99.083  -3.535  11.130
  174   HD22  LEU  19          HD22      LEU  19  98.006  -2.162  11.372
  175   HD23  LEU  19          HD23      LEU  19  98.529  -3.123  12.753
  176    H    LYS  20           HN       LYS  20 101.243  -1.384  16.228
  177    HA   LYS  20           HA       LYS  20 100.399  -3.635  17.549
  178    HB2  LYS  20           HB2      LYS  20 102.474  -2.383  18.078
  179    HB3  LYS  20           HB1      LYS  20 101.498  -1.138  18.852
  180    HG2  LYS  20           HG2      LYS  20 100.612  -2.826  20.434
  181    HG3  LYS  20           HG1      LYS  20 101.631  -4.051  19.677
  182    HD2  LYS  20           HD2      LYS  20 103.637  -2.747  20.263
  183    HD3  LYS  20           HD1      LYS  20 102.621  -1.520  21.020
  184    HE2  LYS  20           HE2      LYS  20 101.751  -3.223  22.590
  185    HE3  LYS  20           HE1      LYS  20 102.807  -4.429  21.852
  186    HZ1  LYS  20           HZ1      LYS  20 103.707  -3.370  23.898
  187    HZ2  LYS  20           HZ2      LYS  20 103.789  -1.900  23.049
  188    HZ3  LYS  20           HZ3      LYS  20 104.716  -3.231  22.542
  189    H    THR  21           HN       THR  21  99.137  -0.374  17.711
  190    HA   THR  21           HA       THR  21  97.452  -0.690  19.956
  191    HB   THR  21           HB       THR  21  98.045   1.409  18.428
  192    HG1  THR  21           HG1      THR  21  95.751   0.887  19.978
  193   HG21  THR  21          HG21      THR  21  96.619   0.387  16.533
  194   HG22  THR  21          HG22      THR  21  96.320   2.072  16.944
  195   HG23  THR  21          HG23      THR  21  95.221   0.822  17.521
  196    H    ARG  22           HN       ARG  22  97.040  -1.605  16.587
  197    HA   ARG  22           HA       ARG  22  94.246  -2.165  16.775
  198    HB2  ARG  22           HB2      ARG  22  96.384  -2.623  14.738
  199    HB3  ARG  22           HB1      ARG  22  94.918  -3.590  14.622
  200    HG2  ARG  22           HG2      ARG  22  94.654  -0.632  15.018
  201    HG3  ARG  22           HG1      ARG  22  95.068  -1.226  13.407
  202    HD2  ARG  22           HD2      ARG  22  93.085  -2.718  13.492
  203    HD3  ARG  22           HD1      ARG  22  92.667  -2.050  15.067
  204    HE   ARG  22           HE       ARG  22  91.996  -0.069  14.012
  205   HH11  ARG  22          HH11      ARG  22  91.350   1.050  12.144
  206   HH12  ARG  22          HH12      ARG  22  91.820   0.463  10.583
  207   HH21  ARG  22          HH21      ARG  22  93.555  -2.266  11.837
  208   HH22  ARG  22          HH22      ARG  22  93.065  -1.415  10.411
  209    H    GLY  23           HN       GLY  23  96.497  -3.494  18.504
  210    HA2  GLY  23           HA2      GLY  23  96.162  -5.457  19.847
  211    HA3  GLY  23           HA1      GLY  23  95.169  -6.123  18.553
  212    H    VAL  24           HN       VAL  24  97.621  -4.909  16.883
  213    HA   VAL  24           HA       VAL  24  98.819  -7.451  16.418
  214    HB   VAL  24           HB       VAL  24  99.926  -4.773  15.579
  215   HG11  VAL  24          HG11      VAL  24 100.220  -7.608  14.595
  216   HG12  VAL  24          HG12      VAL  24 101.477  -6.432  14.983
  217   HG13  VAL  24          HG13      VAL  24 100.509  -6.236  13.524
  218   HG21  VAL  24          HG21      VAL  24  98.465  -5.714  13.444
  219   HG22  VAL  24          HG22      VAL  24  97.915  -4.468  14.567
  220   HG23  VAL  24          HG23      VAL  24  97.440  -6.148  14.814
  221    H    LYS  25           HN       LYS  25 101.286  -7.699  16.456
  222    HA   LYS  25           HA       LYS  25 102.365  -6.514  18.933
  223    HB2  LYS  25           HB2      LYS  25 101.724  -8.942  19.154
  224    HB3  LYS  25           HB1      LYS  25 102.930  -9.308  17.920
  225    HG2  LYS  25           HG2      LYS  25 104.699  -8.358  19.310
  226    HG3  LYS  25           HG1      LYS  25 103.516  -7.870  20.524
  227    HD2  LYS  25           HD2      LYS  25 102.919 -10.210  20.926
  228    HD3  LYS  25           HD1      LYS  25 104.038 -10.732  19.667
  229    HE2  LYS  25           HE2      LYS  25 105.268 -11.016  21.663
  230    HE3  LYS  25           HE1      LYS  25 105.844  -9.474  21.030
  231    HZ1  LYS  25           HZ1      LYS  25 103.687  -8.774  22.509
  232    HZ2  LYS  25           HZ2      LYS  25 105.305  -8.677  23.021
  233    HZ3  LYS  25           HZ3      LYS  25 104.363 -10.031  23.426
  234    H    VAL  26           HN       VAL  26 104.306  -5.527  18.733
  235    HA   VAL  26           HA       VAL  26 105.842  -6.000  16.250
  236    HB   VAL  26           HB       VAL  26 106.520  -3.656  16.334
  237   HG11  VAL  26          HG11      VAL  26 104.068  -2.669  16.252
  238   HG12  VAL  26          HG12      VAL  26 103.596  -4.361  16.364
  239   HG13  VAL  26          HG13      VAL  26 104.599  -3.817  15.022
  240   HG21  VAL  26          HG21      VAL  26 105.225  -3.868  18.992
  241   HG22  VAL  26          HG22      VAL  26 104.909  -2.371  18.117
  242   HG23  VAL  26          HG23      VAL  26 106.568  -2.849  18.476
  243    H    LYS  27           HN       LYS  27 107.430  -7.333  16.902
  244    HA   LYS  27           HA       LYS  27 108.976  -6.615  19.316
  245    HB2  LYS  27           HB2      LYS  27 109.840  -8.989  19.119
  246    HB3  LYS  27           HB1      LYS  27 108.141  -8.818  19.561
  247    HG2  LYS  27           HG2      LYS  27 107.423  -9.297  17.321
  248    HG3  LYS  27           HG1      LYS  27 109.076  -9.202  16.711
  249    HD2  LYS  27           HD2      LYS  27 109.725 -11.180  17.900
  250    HD3  LYS  27           HD1      LYS  27 108.200 -11.220  18.790
  251    HE2  LYS  27           HE2      LYS  27 106.971 -11.624  16.697
  252    HE3  LYS  27           HE1      LYS  27 108.476 -11.546  15.783
  253    HZ1  LYS  27           HZ1      LYS  27 107.402 -13.681  17.390
  254    HZ2  LYS  27           HZ2      LYS  27 109.043 -13.358  17.692
  255    HZ3  LYS  27           HZ3      LYS  27 108.523 -13.740  16.119
  256    H    TYR  28           HN       TYR  28 111.339  -7.118  19.180
  257    HA   TYR  28           HA       TYR  28 112.554  -5.678  17.107
  258    HB2  TYR  28           HB2      TYR  28 113.609  -6.106  19.297
  259    HB3  TYR  28           HB1      TYR  28 113.787  -7.808  18.870
  260    HD1  TYR  28           HD1      TYR  28 114.595  -4.386  17.582
  261    HD2  TYR  28           HD2      TYR  28 115.740  -8.521  17.785
  262    HE1  TYR  28           HE1      TYR  28 116.710  -3.858  16.399
  263    HE2  TYR  28           HE2      TYR  28 117.857  -7.992  16.604
  264    HH   TYR  28           HH       TYR  28 118.396  -4.965  15.071
  265    H    ALA  29           HN       ALA  29 111.889  -9.109  17.453
  266    HA   ALA  29           HA       ALA  29 113.423 -10.102  15.330
  267    HB1  ALA  29           HB1      ALA  29 112.385 -12.096  15.682
  268    HB2  ALA  29           HB2      ALA  29 110.790 -11.367  15.842
  269    HB3  ALA  29           HB3      ALA  29 111.930 -11.300  17.187
  270    H    ASP  30           HN       ASP  30 110.548  -8.241  15.343
  271    HA   ASP  30           HA       ASP  30 109.560  -9.021  12.745
  272    HB2  ASP  30           HB2      ASP  30 108.968  -6.593  14.450
  273    HB3  ASP  30           HB1      ASP  30 108.155  -6.963  12.937
  274    H    LEU  31           HN       LEU  31 111.696  -6.528  13.989
  275    HA   LEU  31           HA       LEU  31 111.870  -5.044  11.539
  276    HB2  LEU  31           HB2      LEU  31 113.573  -5.216  14.028
  277    HB3  LEU  31           HB1      LEU  31 114.071  -4.241  12.651
  278    HG   LEU  31           HG       LEU  31 111.556  -3.319  12.894
  279   HD11  LEU  31          HD11      LEU  31 110.697  -3.396  15.066
  280   HD12  LEU  31          HD12      LEU  31 112.266  -3.756  15.783
  281   HD13  LEU  31          HD13      LEU  31 111.389  -5.008  14.901
  282   HD21  LEU  31          HD21      LEU  31 113.998  -2.519  14.495
  283   HD22  LEU  31          HD22      LEU  31 112.530  -1.543  14.424
  284   HD23  LEU  31          HD23      LEU  31 113.452  -1.857  12.954
  285    H    LEU  32           HN       LEU  32 113.738  -7.688  12.949
  286    HA   LEU  32           HA       LEU  32 115.823  -7.694  11.057
  287    HB2  LEU  32           HB2      LEU  32 114.605 -10.117  12.358
  288    HB3  LEU  32           HB1      LEU  32 116.269  -9.924  11.795
  289    HG   LEU  32           HG       LEU  32 114.972  -8.346  14.058
  290   HD11  LEU  32          HD11      LEU  32 117.404  -9.945  14.553
  291   HD12  LEU  32          HD12      LEU  32 115.980 -10.908  14.153
  292   HD13  LEU  32          HD13      LEU  32 115.937  -9.797  15.522
  293   HD21  LEU  32          HD21      LEU  32 117.570  -7.774  14.290
  294   HD22  LEU  32          HD22      LEU  32 116.531  -6.836  13.217
  295   HD23  LEU  32          HD23      LEU  32 117.563  -8.106  12.559
  296    H    LYS  33           HN       LYS  33 112.663  -9.247  11.015
  297    HA   LYS  33           HA       LYS  33 113.166 -10.543   8.465
  298    HB2  LYS  33           HB2      LYS  33 111.788 -11.603  10.261
  299    HB3  LYS  33           HB1      LYS  33 110.574 -10.350   9.997
  300    HG2  LYS  33           HG2      LYS  33 110.355 -11.041   7.637
  301    HG3  LYS  33           HG1      LYS  33 111.582 -12.283   7.887
  302    HD2  LYS  33           HD2      LYS  33 110.159 -13.373   9.572
  303    HD3  LYS  33           HD1      LYS  33 108.931 -12.125   9.353
  304    HE2  LYS  33           HE2      LYS  33 108.336 -14.109   8.044
  305    HE3  LYS  33           HE1      LYS  33 108.730 -12.773   6.963
  306    HZ1  LYS  33           HZ1      LYS  33 110.488 -13.852   6.162
  307    HZ2  LYS  33           HZ2      LYS  33 109.825 -15.247   6.869
  308    HZ3  LYS  33           HZ3      LYS  33 111.011 -14.354   7.695
  309    H    PHE  34           HN       PHE  34 110.950  -8.020   9.677
  310    HA   PHE  34           HA       PHE  34 109.724  -7.458   7.206
  311    HB2  PHE  34           HB2      PHE  34 108.838  -6.728   9.396
  312    HB3  PHE  34           HB1      PHE  34 110.187  -5.602   9.558
  313    HD1  PHE  34           HD1      PHE  34 107.392  -6.514   7.239
  314    HD2  PHE  34           HD2      PHE  34 110.012  -3.429   8.678
  315    HE1  PHE  34           HE1      PHE  34 106.154  -4.836   5.896
  316    HE2  PHE  34           HE2      PHE  34 108.773  -1.751   7.335
  317    HZ   PHE  34           HZ       PHE  34 106.843  -2.454   5.946
  318    H    PHE  35           HN       PHE  35 112.623  -6.180   8.690
  319    HA   PHE  35           HA       PHE  35 113.011  -4.125   6.670
  320    HB2  PHE  35           HB2      PHE  35 113.852  -4.232   9.151
  321    HB3  PHE  35           HB1      PHE  35 115.223  -5.095   8.455
  322    HD1  PHE  35           HD1      PHE  35 114.040  -1.964   9.388
  323    HD2  PHE  35           HD2      PHE  35 116.061  -3.890   6.114
  324    HE1  PHE  35           HE1      PHE  35 114.926   0.224   8.639
  325    HE2  PHE  35           HE2      PHE  35 116.939  -1.696   5.368
  326    HZ   PHE  35           HZ       PHE  35 116.376   0.361   6.631
  327    H    ASP  36           HN       ASP  36 114.661  -7.196   7.523
  328    HA   ASP  36           HA       ASP  36 116.424  -7.184   5.318
  329    HB2  ASP  36           HB2      ASP  36 116.627  -8.604   7.384
  330    HB3  ASP  36           HB1      ASP  36 115.387  -9.654   6.696
  331    H    PHE  37           HN       PHE  37 113.110  -8.246   5.663
  332    HA   PHE  37           HA       PHE  37 112.875  -9.924   3.432
  333    HB2  PHE  37           HB2      PHE  37 111.099  -9.861   5.041
  334    HB3  PHE  37           HB1      PHE  37 110.859  -8.129   4.804
  335    HD1  PHE  37           HD1      PHE  37 109.740  -7.286   2.800
  336    HD2  PHE  37           HD2      PHE  37 110.384 -11.490   3.408
  337    HE1  PHE  37           HE1      PHE  37 108.144  -7.795   0.971
  338    HE2  PHE  37           HE2      PHE  37 108.787 -11.998   1.579
  339    HZ   PHE  37           HZ       PHE  37 107.667 -10.154   0.363
  340    H    VAL  38           HN       VAL  38 112.247  -6.423   3.756
  341    HA   VAL  38           HA       VAL  38 111.607  -6.074   0.982
  342    HB   VAL  38           HB       VAL  38 112.768  -3.703   2.196
  343   HG11  VAL  38          HG11      VAL  38 110.426  -2.881   1.861
  344   HG12  VAL  38          HG12      VAL  38 109.973  -4.505   1.341
  345   HG13  VAL  38          HG13      VAL  38 111.145  -3.575   0.410
  346   HG21  VAL  38          HG21      VAL  38 111.023  -3.565   4.005
  347   HG22  VAL  38          HG22      VAL  38 112.319  -4.721   4.307
  348   HG23  VAL  38          HG23      VAL  38 110.733  -5.285   3.764
  349    H    LYS  39           HN       LYS  39 114.628  -5.921   2.799
  350    HA   LYS  39           HA       LYS  39 116.286  -4.696   0.912
  351    HB2  LYS  39           HB2      LYS  39 116.616  -6.508   3.167
  352    HB3  LYS  39           HB1      LYS  39 117.871  -6.692   1.949
  353    HG2  LYS  39           HG2      LYS  39 118.417  -4.326   2.073
  354    HG3  LYS  39           HG1      LYS  39 117.046  -4.027   3.144
  355    HD2  LYS  39           HD2      LYS  39 118.049  -5.404   4.878
  356    HD3  LYS  39           HD1      LYS  39 119.378  -5.847   3.803
  357    HE2  LYS  39           HE2      LYS  39 120.035  -3.457   3.658
  358    HE3  LYS  39           HE1      LYS  39 118.738  -3.047   4.776
  359    HZ1  LYS  39           HZ1      LYS  39 121.059  -3.394   5.725
  360    HZ2  LYS  39           HZ2      LYS  39 120.786  -5.052   5.477
  361    HZ3  LYS  39           HZ3      LYS  39 119.770  -4.166   6.511
  362    H    ASP  40           HN       ASP  40 115.058  -7.997   0.996
  363    HA   ASP  40           HA       ASP  40 116.677  -9.293  -0.795
  364    HB2  ASP  40           HB2      ASP  40 113.671  -9.367  -0.570
  365    HB3  ASP  40           HB1      ASP  40 114.598 -10.502  -1.549
  366    H    THR  41           HN       THR  41 113.671  -7.647  -1.839
  367    HA   THR  41           HA       THR  41 114.946  -7.184  -4.466
  368    HB   THR  41           HB       THR  41 112.422  -6.873  -5.115
  369    HG1  THR  41           HG1      THR  41 111.137  -8.254  -3.821
  370   HG21  THR  41          HG21      THR  41 113.669  -9.569  -4.515
  371   HG22  THR  41          HG22      THR  41 113.904  -8.626  -5.988
  372   HG23  THR  41          HG23      THR  41 112.315  -9.292  -5.609
  373    H    CYS  42           HN       CYS  42 113.383  -5.699  -1.763
  374    HA   CYS  42           HA       CYS  42 112.957  -3.526  -1.201
  375    HB2  CYS  42           HB2      CYS  42 115.359  -3.417  -2.944
  376    HB3  CYS  42           HB1      CYS  42 114.525  -1.886  -2.690
  377    HG   CYS  42           HG       CYS  42 114.847  -2.191  -0.116
  378    HA   PRO  43           HA       PRO  43 110.562  -2.936  -5.197
  379    HB2  PRO  43           HB2      PRO  43 108.227  -4.165  -4.586
  380    HB3  PRO  43           HB1      PRO  43 109.603  -5.024  -5.303
  381    HG2  PRO  43           HG2      PRO  43 108.640  -5.001  -2.504
  382    HG3  PRO  43           HG1      PRO  43 109.390  -6.303  -3.434
  383    HD2  PRO  43           HD2      PRO  43 110.688  -4.736  -1.544
  384    HD3  PRO  43           HD1      PRO  43 111.455  -5.711  -2.816
  385    H    TRP  44           HN       TRP  44 109.854  -2.567  -1.832
  386    HA   TRP  44           HA       TRP  44 107.582  -0.864  -2.097
  387    HB2  TRP  44           HB2      TRP  44 108.973  -2.097   0.012
  388    HB3  TRP  44           HB1      TRP  44 109.068  -0.364   0.326
  389    HD1  TRP  44           HD1      TRP  44 106.385   0.716  -0.606
  390    HE1  TRP  44           HE1      TRP  44 104.165   0.019   0.506
  391    HE3  TRP  44           HE3      TRP  44 107.811  -3.703   1.514
  392    HZ2  TRP  44           HZ2      TRP  44 103.135  -2.134   2.083
  393    HZ3  TRP  44           HZ3      TRP  44 106.195  -5.055   2.814
  394    HH2  TRP  44           HH2      TRP  44 103.858  -4.276   3.103
  395    H    PHE  45           HN       PHE  45 110.077  -0.178  -3.637
  396    HA   PHE  45           HA       PHE  45 111.408   1.632  -4.094
  397    HB2  PHE  45           HB2      PHE  45 108.629   2.607  -3.706
  398    HB3  PHE  45           HB1      PHE  45 109.904   3.810  -3.897
  399    HD1  PHE  45           HD1      PHE  45 107.569   1.932  -5.670
  400    HD2  PHE  45           HD2      PHE  45 111.700   3.105  -5.830
  401    HE1  PHE  45           HE1      PHE  45 107.590   1.526  -8.113
  402    HE2  PHE  45           HE2      PHE  45 111.722   2.689  -8.272
  403    HZ   PHE  45           HZ       PHE  45 109.668   1.900  -9.416
  404    HA   PRO  46           HA       PRO  46 112.201   2.731   0.318
  405    HB2  PRO  46           HB2      PRO  46 114.798   1.884   0.382
  406    HB3  PRO  46           HB1      PRO  46 113.411   0.842   0.741
  407    HG2  PRO  46           HG2      PRO  46 115.099   0.969  -1.670
  408    HG3  PRO  46           HG1      PRO  46 114.231  -0.388  -0.941
  409    HD2  PRO  46           HD2      PRO  46 113.378   1.038  -3.188
  410    HD3  PRO  46           HD1      PRO  46 112.358  -0.025  -2.197
  411    H    GLN  47           HN       GLN  47 113.493   3.575  -2.725
  412    HA   GLN  47           HA       GLN  47 115.554   5.370  -1.939
  413    HB2  GLN  47           HB2      GLN  47 113.788   5.310  -4.388
  414    HB3  GLN  47           HB1      GLN  47 115.223   6.321  -4.223
  415    HG2  GLN  47           HG2      GLN  47 116.606   4.293  -3.876
  416    HG3  GLN  47           HG1      GLN  47 115.172   3.287  -4.069
  417   HE21  GLN  47          HE21      GLN  47 116.892   2.547  -5.900
  418   HE22  GLN  47          HE22      GLN  47 116.646   3.272  -7.414
  419    H    GLU  48           HN       GLU  48 112.198   6.017  -3.019
  420    HA   GLU  48           HA       GLU  48 112.357   8.698  -1.802
  421    HB2  GLU  48           HB2      GLU  48 110.336   9.178  -3.007
  422    HB3  GLU  48           HB1      GLU  48 111.476   8.429  -4.113
  423    HG2  GLU  48           HG2      GLU  48 110.349   6.219  -3.639
  424    HG3  GLU  48           HG1      GLU  48 109.127   7.113  -2.739
  425    H    GLY  49           HN       GLY  49 111.261   5.560  -1.095
  426    HA2  GLY  49           HA2      GLY  49 110.121   4.698   0.708
  427    HA3  GLY  49           HA1      GLY  49 110.288   6.273   1.476
  428    H    THR  50           HN       THR  50 108.413   4.586  -1.036
  429    HA   THR  50           HA       THR  50 106.028   6.139  -0.212
  430    HB   THR  50           HB       THR  50 106.840   6.860  -2.437
  431    HG1  THR  50           HG1      THR  50 104.790   5.981  -3.533
  432   HG21  THR  50          HG21      THR  50 107.917   4.729  -3.086
  433   HG22  THR  50          HG22      THR  50 106.786   5.275  -4.320
  434   HG23  THR  50          HG23      THR  50 106.330   3.964  -3.228
  435    H    ILE  51           HN       ILE  51 103.973   5.016  -0.923
  436    HA   ILE  51           HA       ILE  51 104.260   2.116  -0.403
  437    HB   ILE  51           HB       ILE  51 101.678   3.563   0.004
  438   HG12  ILE  51          HG12      ILE  51 104.179   3.887   1.630
  439   HG13  ILE  51          HG11      ILE  51 102.931   5.071   1.245
  440   HG21  ILE  51          HG21      ILE  51 102.160   1.030   0.246
  441   HG22  ILE  51          HG22      ILE  51 101.292   1.828   1.557
  442   HG23  ILE  51          HG23      ILE  51 103.010   1.478   1.725
  443   HD11  ILE  51          HD11      ILE  51 102.853   2.878   3.309
  444   HD12  ILE  51          HD12      ILE  51 101.373   3.613   2.692
  445   HD13  ILE  51          HD13      ILE  51 102.569   4.606   3.522
  446    H    ASP  52           HN       ASP  52 103.165   0.675  -1.735
  447    HA   ASP  52           HA       ASP  52 101.434   1.752  -3.841
  448    HB2  ASP  52           HB2      ASP  52 103.734   1.695  -4.766
  449    HB3  ASP  52           HB1      ASP  52 103.818  -0.018  -4.368
  450    H    ILE  53           HN       ILE  53  99.682   0.576  -3.859
  451    HA   ILE  53           HA       ILE  53  99.422  -1.918  -2.464
  452    HB   ILE  53           HB       ILE  53  97.452  -0.761  -4.446
  453   HG12  ILE  53          HG12      ILE  53  98.045   0.992  -2.862
  454   HG13  ILE  53          HG11      ILE  53  96.465   0.363  -2.402
  455   HG21  ILE  53          HG21      ILE  53  95.824  -2.018  -3.123
  456   HG22  ILE  53          HG22      ILE  53  97.065  -2.460  -1.950
  457   HG23  ILE  53          HG23      ILE  53  97.123  -3.119  -3.585
  458   HD11  ILE  53          HD11      ILE  53  97.619   0.430  -0.337
  459   HD12  ILE  53          HD12      ILE  53  99.145  -0.053  -1.072
  460   HD13  ILE  53          HD13      ILE  53  97.866  -1.243  -0.833
  461    H    LYS  54           HN       LYS  54  99.623  -1.018  -5.885
  462    HA   LYS  54           HA       LYS  54  99.066  -3.565  -6.967
  463    HB2  LYS  54           HB2      LYS  54  99.064  -1.433  -8.258
  464    HB3  LYS  54           HB1      LYS  54 100.824  -1.390  -8.130
  465    HG2  LYS  54           HG2      LYS  54 100.971  -3.551  -9.305
  466    HG3  LYS  54           HG1      LYS  54  99.212  -3.615  -9.405
  467    HD2  LYS  54           HD2      LYS  54  99.216  -1.522 -10.725
  468    HD3  LYS  54           HD1      LYS  54 100.979  -1.487 -10.642
  469    HE2  LYS  54           HE2      LYS  54 101.113  -3.623 -11.824
  470    HE3  LYS  54           HE1      LYS  54  99.353  -3.741 -11.854
  471    HZ1  LYS  54           HZ1      LYS  54 100.027  -1.252 -12.884
  472    HZ2  LYS  54           HZ2      LYS  54  99.374  -2.580 -13.720
  473    HZ3  LYS  54           HZ3      LYS  54 101.059  -2.373 -13.631
  474    H    ARG  55           HN       ARG  55 102.233  -1.949  -6.608
  475    HA   ARG  55           HA       ARG  55 103.753  -4.231  -7.292
  476    HB2  ARG  55           HB2      ARG  55 104.469  -1.713  -5.784
  477    HB3  ARG  55           HB1      ARG  55 105.645  -2.974  -6.147
  478    HG2  ARG  55           HG2      ARG  55 105.190  -2.736  -8.541
  479    HG3  ARG  55           HG1      ARG  55 103.952  -1.525  -8.198
  480    HD2  ARG  55           HD2      ARG  55 105.620  -0.039  -7.217
  481    HD3  ARG  55           HD1      ARG  55 106.873  -1.256  -7.437
  482    HE   ARG  55           HE       ARG  55 106.953  -0.710  -9.708
  483   HH11  ARG  55          HH11      ARG  55 106.428   0.631 -11.463
  484   HH12  ARG  55          HH12      ARG  55 105.069   1.698 -11.354
  485   HH21  ARG  55          HH21      ARG  55 104.232   0.729  -8.135
  486   HH22  ARG  55          HH22      ARG  55 103.821   1.752  -9.469
  487    H    TRP  56           HN       TRP  56 102.520  -3.031  -4.213
  488    HA   TRP  56           HA       TRP  56 104.017  -4.650  -2.528
  489    HB2  TRP  56           HB2      TRP  56 102.764  -2.949  -1.489
  490    HB3  TRP  56           HB1      TRP  56 101.271  -3.458  -2.275
  491    HD1  TRP  56           HD1      TRP  56  99.719  -4.465  -0.578
  492    HE1  TRP  56           HE1      TRP  56  99.942  -6.075   1.423
  493    HE3  TRP  56           HE3      TRP  56 104.785  -5.129  -0.530
  494    HZ2  TRP  56           HZ2      TRP  56 101.998  -7.462   2.847
  495    HZ3  TRP  56           HZ3      TRP  56 105.844  -6.609   1.139
  496    HH2  TRP  56           HH2      TRP  56 104.462  -7.772   2.833
  497    H    ARG  57           HN       ARG  57 101.018  -5.300  -4.250
  498    HA   ARG  57           HA       ARG  57 100.468  -7.805  -3.059
  499    HB2  ARG  57           HB2      ARG  57  98.790  -6.492  -4.354
  500    HB3  ARG  57           HB1      ARG  57  99.701  -6.832  -5.827
  501    HG2  ARG  57           HG2      ARG  57  99.372  -9.262  -5.454
  502    HG3  ARG  57           HG1      ARG  57  98.445  -8.897  -3.998
  503    HD2  ARG  57           HD2      ARG  57  96.857  -7.572  -5.387
  504    HD3  ARG  57           HD1      ARG  57  97.741  -8.076  -6.826
  505    HE   ARG  57           HE       ARG  57  95.967  -9.728  -5.211
  506   HH11  ARG  57          HH11      ARG  57  95.528 -11.774  -6.099
  507   HH12  ARG  57          HH12      ARG  57  96.478 -12.360  -7.423
  508   HH21  ARG  57          HH21      ARG  57  98.477  -9.532  -7.586
  509   HH22  ARG  57          HH22      ARG  57  98.147 -11.089  -8.266
  510    H    ARG  58           HN       ARG  58 102.348  -6.835  -5.909
  511    HA   ARG  58           HA       ARG  58 102.810  -9.384  -6.986
  512    HB2  ARG  58           HB2      ARG  58 104.474  -6.872  -6.993
  513    HB3  ARG  58           HB1      ARG  58 104.944  -8.322  -7.881
  514    HG2  ARG  58           HG2      ARG  58 102.793  -8.263  -9.099
  515    HG3  ARG  58           HG1      ARG  58 102.341  -6.802  -8.218
  516    HD2  ARG  58           HD2      ARG  58 104.346  -5.656  -9.146
  517    HD3  ARG  58           HD1      ARG  58 104.718  -7.106 -10.075
  518    HE   ARG  58           HE       ARG  58 102.611  -5.183 -10.631
  519   HH11  ARG  58          HH11      ARG  58 101.503  -5.516 -12.583
  520   HH12  ARG  58          HH12      ARG  58 101.693  -7.011 -13.437
  521   HH21  ARG  58          HH21      ARG  58 103.884  -8.365 -11.114
  522   HH22  ARG  58          HH22      ARG  58 103.041  -8.624 -12.605
  523    H    VAL  59           HN       VAL  59 104.877  -7.523  -4.750
  524    HA   VAL  59           HA       VAL  59 106.778  -9.613  -4.355
  525    HB   VAL  59           HB       VAL  59 107.385  -7.342  -3.792
  526   HG11  VAL  59          HG11      VAL  59 105.102  -6.560  -3.237
  527   HG12  VAL  59          HG12      VAL  59 106.279  -6.112  -2.000
  528   HG13  VAL  59          HG13      VAL  59 105.176  -7.462  -1.722
  529   HG21  VAL  59          HG21      VAL  59 107.909  -9.475  -2.211
  530   HG22  VAL  59          HG22      VAL  59 107.121  -8.407  -1.044
  531   HG23  VAL  59          HG23      VAL  59 108.562  -7.866  -1.909
  532    H    GLY  60           HN       GLY  60 103.769  -8.756  -2.710
  533    HA2  GLY  60           HA2      GLY  60 104.066 -10.446  -0.470
  534    HA3  GLY  60           HA1      GLY  60 102.536  -9.878  -1.124
  535    H    ASP  61           HN       ASP  61 102.267 -11.027  -3.503
  536    HA   ASP  61           HA       ASP  61 101.692 -13.752  -2.870
  537    HB2  ASP  61           HB2      ASP  61 101.453 -12.031  -5.310
  538    HB3  ASP  61           HB1      ASP  61 101.279 -13.777  -5.466
  539    H    CYS  62           HN       CYS  62 104.200 -12.154  -4.715
  540    HA   CYS  62           HA       CYS  62 105.334 -14.453  -5.925
  541    HB2  CYS  62           HB2      CYS  62 106.539 -11.788  -5.179
  542    HB3  CYS  62           HB1      CYS  62 107.425 -13.030  -6.060
  543    HG   CYS  62           HG       CYS  62 105.511 -11.144  -7.326
  544    H    PHE  63           HN       PHE  63 105.956 -12.899  -2.797
  545    HA   PHE  63           HA       PHE  63 108.037 -14.825  -2.147
  546    HB2  PHE  63           HB2      PHE  63 106.883 -12.406  -0.824
  547    HB3  PHE  63           HB1      PHE  63 107.783 -13.577   0.138
  548    HD1  PHE  63           HD1      PHE  63 110.103 -13.411   0.253
  549    HD2  PHE  63           HD2      PHE  63 108.046 -11.695  -3.107
  550    HE1  PHE  63           HE1      PHE  63 112.243 -12.481  -0.583
  551    HE2  PHE  63           HE2      PHE  63 110.187 -10.765  -3.942
  552    HZ   PHE  63           HZ       PHE  63 112.286 -11.158  -2.681
  553    H    GLN  64           HN       GLN  64 104.761 -14.008  -1.014
  554    HA   GLN  64           HA       GLN  64 104.610 -15.963   0.987
  555    HB2  GLN  64           HB2      GLN  64 103.009 -14.077   0.716
  556    HB3  GLN  64           HB1      GLN  64 102.342 -14.889  -0.700
  557    HG2  GLN  64           HG2      GLN  64 101.744 -16.837   0.691
  558    HG3  GLN  64           HG1      GLN  64 102.424 -16.039   2.107
  559   HE21  GLN  64          HE21      GLN  64  99.583 -16.848   1.658
  560   HE22  GLN  64          HE22      GLN  64  98.674 -15.420   1.781
  561    H    ASP  65           HN       ASP  65 104.282 -16.187  -2.462
  562    HA   ASP  65           HA       ASP  65 102.993 -18.759  -2.452
  563    HB2  ASP  65           HB2      ASP  65 102.682 -17.333  -4.352
  564    HB3  ASP  65           HB1      ASP  65 104.424 -17.179  -4.574
  565    H    TYR  66           HN       TYR  66 106.273 -17.685  -3.435
  566    HA   TYR  66           HA       TYR  66 107.321 -20.314  -3.631
  567    HB2  TYR  66           HB2      TYR  66 108.493 -17.571  -3.491
  568    HB3  TYR  66           HB1      TYR  66 109.557 -18.963  -3.291
  569    HD1  TYR  66           HD1      TYR  66 110.169 -20.330  -5.136
  570    HD2  TYR  66           HD2      TYR  66 107.056 -17.403  -5.575
  571    HE1  TYR  66           HE1      TYR  66 110.173 -20.693  -7.590
  572    HE2  TYR  66           HE2      TYR  66 107.061 -17.764  -8.027
  573    HH   TYR  66           HH       TYR  66 107.806 -19.089  -9.687
  574    H    TYR  67           HN       TYR  67 107.315 -17.971  -0.991
  575    HA   TYR  67           HA       TYR  67 109.032 -19.372   0.753
  576    HB2  TYR  67           HB2      TYR  67 108.262 -16.973   0.991
  577    HB3  TYR  67           HB1      TYR  67 106.729 -17.604   1.586
  578    HD1  TYR  67           HD1      TYR  67 106.484 -18.064   3.868
  579    HD2  TYR  67           HD2      TYR  67 110.415 -17.902   2.143
  580    HE1  TYR  67           HE1      TYR  67 107.486 -18.330   6.119
  581    HE2  TYR  67           HE2      TYR  67 111.415 -18.173   4.396
  582    HH   TYR  67           HH       TYR  67 109.453 -18.067   7.301
  583    H    ASN  68           HN       ASN  68 105.481 -19.365   0.482
  584    HA   ASN  68           HA       ASN  68 105.003 -21.169   2.611
  585    HB2  ASN  68           HB2      ASN  68 103.403 -20.398   0.158
  586    HB3  ASN  68           HB1      ASN  68 102.804 -21.565   1.337
  587   HD21  ASN  68          HD21      ASN  68 101.269 -19.323   1.183
  588   HD22  ASN  68          HD22      ASN  68 101.561 -18.286   2.493
  589    H    THR  69           HN       THR  69 105.567 -21.654  -0.873
  590    HA   THR  69           HA       THR  69 104.933 -24.389  -1.026
  591    HB   THR  69           HB       THR  69 106.435 -24.419  -3.026
  592    HG1  THR  69           HG1      THR  69 108.054 -23.087  -2.647
  593   HG21  THR  69          HG21      THR  69 104.508 -23.633  -3.893
  594   HG22  THR  69          HG22      THR  69 105.285 -22.050  -3.858
  595   HG23  THR  69          HG23      THR  69 104.236 -22.549  -2.529
  596    H    PHE  70           HN       PHE  70 107.645 -22.759   0.362
  597    HA   PHE  70           HA       PHE  70 108.935 -25.372   0.837
  598    HB2  PHE  70           HB2      PHE  70 110.213 -22.626   0.772
  599    HB3  PHE  70           HB1      PHE  70 111.052 -24.138   1.111
  600    HD1  PHE  70           HD1      PHE  70 110.432 -26.068  -0.743
  601    HD2  PHE  70           HD2      PHE  70 110.452 -21.821  -1.404
  602    HE1  PHE  70           HE1      PHE  70 110.717 -26.449  -3.173
  603    HE2  PHE  70           HE2      PHE  70 110.740 -22.204  -3.836
  604    HZ   PHE  70           HZ       PHE  70 110.875 -24.517  -4.721
  605    H    GLY  71           HN       GLY  71 106.905 -23.407   2.257
  606    HA2  GLY  71           HA2      GLY  71 107.902 -24.062   4.924
  607    HA3  GLY  71           HA1      GLY  71 107.619 -22.363   4.561
  608    HA   PRO  72           HA       PRO  72 103.666 -24.117   6.292
  609    HB2  PRO  72           HB2      PRO  72 103.486 -21.402   7.458
  610    HB3  PRO  72           HB1      PRO  72 103.394 -22.972   8.276
  611    HG2  PRO  72           HG2      PRO  72 105.488 -21.334   8.532
  612    HG3  PRO  72           HG1      PRO  72 105.649 -23.104   8.557
  613    HD2  PRO  72           HD2      PRO  72 106.258 -21.193   6.311
  614    HD3  PRO  72           HD1      PRO  72 107.140 -22.652   6.817
  615    H    GLU  73           HN       GLU  73 101.612 -23.810   5.389
  616    HA   GLU  73           HA       GLU  73 101.407 -21.918   3.215
  617    HB2  GLU  73           HB2      GLU  73 100.519 -24.248   3.067
  618    HB3  GLU  73           HB1      GLU  73  99.351 -23.850   4.328
  619    HG2  GLU  73           HG2      GLU  73  98.406 -22.077   2.917
  620    HG3  GLU  73           HG1      GLU  73  99.592 -22.430   1.662
  621    H    LYS  74           HN       LYS  74 100.066 -22.409   6.438
  622    HA   LYS  74           HA       LYS  74  98.124 -20.321   6.257
  623    HB2  LYS  74           HB2      LYS  74  99.253 -21.241   8.873
  624    HB3  LYS  74           HB1      LYS  74  97.596 -20.780   8.467
  625    HG2  LYS  74           HG2      LYS  74  99.054 -23.300   7.613
  626    HG3  LYS  74           HG1      LYS  74  97.662 -23.207   8.690
  627    HD2  LYS  74           HD2      LYS  74  96.481 -22.051   6.663
  628    HD3  LYS  74           HD1      LYS  74  97.787 -22.765   5.713
  629    HE2  LYS  74           HE2      LYS  74  97.227 -24.987   6.570
  630    HE3  LYS  74           HE1      LYS  74  95.928 -24.296   7.545
  631    HZ1  LYS  74           HZ1      LYS  74  96.002 -24.873   4.728
  632    HZ2  LYS  74           HZ2      LYS  74  95.418 -23.317   5.084
  633    HZ3  LYS  74           HZ3      LYS  74  94.670 -24.684   5.761
  634    H    VAL  75           HN       VAL  75 101.314 -20.598   7.702
  635    HA   VAL  75           HA       VAL  75 102.732 -19.060   8.584
  636    HB   VAL  75           HB       VAL  75 102.461 -16.895   6.838
  637   HG11  VAL  75          HG11      VAL  75 104.171 -19.388   6.424
  638   HG12  VAL  75          HG12      VAL  75 104.592 -18.098   7.548
  639   HG13  VAL  75          HG13      VAL  75 104.514 -17.767   5.817
  640   HG21  VAL  75          HG21      VAL  75 101.809 -19.499   5.436
  641   HG22  VAL  75          HG22      VAL  75 102.504 -18.105   4.615
  642   HG23  VAL  75          HG23      VAL  75 100.919 -17.971   5.370
  643    HA   PRO  76           HA       PRO  76 100.911 -15.925  11.106
  644    HB2  PRO  76           HB2      PRO  76 102.684 -13.822   9.958
  645    HB3  PRO  76           HB1      PRO  76 102.476 -14.311  11.651
  646    HG2  PRO  76           HG2      PRO  76 104.653 -14.974  10.279
  647    HG3  PRO  76           HG1      PRO  76 103.927 -16.087  11.450
  648    HD2  PRO  76           HD2      PRO  76 103.845 -16.142   8.483
  649    HD3  PRO  76           HD1      PRO  76 103.913 -17.476   9.655
  650    H    VAL  77           HN       VAL  77  98.970 -15.062  10.745
  651    HA   VAL  77           HA       VAL  77  98.262 -13.938   8.143
  652    HB   VAL  77           HB       VAL  77  96.557 -14.317  10.611
  653   HG11  VAL  77          HG11      VAL  77  95.970 -13.580   7.740
  654   HG12  VAL  77          HG12      VAL  77  95.506 -12.711   9.202
  655   HG13  VAL  77          HG13      VAL  77  94.736 -14.247   8.807
  656   HG21  VAL  77          HG21      VAL  77  95.975 -16.095   8.393
  657   HG22  VAL  77          HG22      VAL  77  96.436 -16.542  10.032
  658   HG23  VAL  77          HG23      VAL  77  97.685 -16.263   8.807
  659    H    THR  78           HN       THR  78  99.384 -12.781  11.121
  660    HA   THR  78           HA       THR  78  98.124 -10.406  11.594
  661    HB   THR  78           HB       THR  78 100.224  -9.587  12.499
  662    HG1  THR  78           HG1      THR  78 101.576 -11.774  11.391
  663   HG21  THR  78          HG21      THR  78 100.155 -11.115  14.157
  664   HG22  THR  78          HG22      THR  78 100.798 -12.371  13.101
  665   HG23  THR  78          HG23      THR  78  99.063 -12.062  13.146
  666    H    ALA  79           HN       ALA  79 100.020 -11.249   8.856
  667    HA   ALA  79           HA       ALA  79 100.748  -8.733   7.870
  668    HB1  ALA  79           HB1      ALA  79  99.954 -11.111   6.189
  669    HB2  ALA  79           HB2      ALA  79 101.520 -10.954   6.988
  670    HB3  ALA  79           HB3      ALA  79 101.042  -9.794   5.750
  671    H    PHE  80           HN       PHE  80  97.704 -10.141   8.225
  672    HA   PHE  80           HA       PHE  80  96.298  -8.950   6.044
  673    HB2  PHE  80           HB2      PHE  80  95.491 -10.925   7.387
  674    HB3  PHE  80           HB1      PHE  80  95.111  -9.804   8.694
  675    HD1  PHE  80           HD1      PHE  80  93.004  -8.776   8.730
  676    HD2  PHE  80           HD2      PHE  80  94.574 -10.249   5.014
  677    HE1  PHE  80           HE1      PHE  80  90.867  -8.214   7.604
  678    HE2  PHE  80           HE2      PHE  80  92.437  -9.687   3.887
  679    HZ   PHE  80           HZ       PHE  80  90.583  -8.670   5.183
  680    H    SER  81           HN       SER  81  96.868  -7.980   9.425
  681    HA   SER  81           HA       SER  81  95.197  -5.718   9.426
  682    HB2  SER  81           HB2      SER  81  97.732  -6.238  10.994
  683    HB3  SER  81           HB1      SER  81  96.543  -4.991  11.359
  684    HG   SER  81           HG       SER  81  96.253  -6.970  12.546
  685    H    TYR  82           HN       TYR  82  98.575  -6.168   8.488
  686    HA   TYR  82           HA       TYR  82  99.278  -3.473   8.172
  687    HB2  TYR  82           HB2      TYR  82 100.253  -6.050   7.049
  688    HB3  TYR  82           HB1      TYR  82 100.790  -4.561   6.280
  689    HD1  TYR  82           HD1      TYR  82 100.875  -6.582   9.357
  690    HD2  TYR  82           HD2      TYR  82 102.143  -2.933   7.477
  691    HE1  TYR  82           HE1      TYR  82 102.508  -6.209  11.187
  692    HE2  TYR  82           HE2      TYR  82 103.781  -2.562   9.306
  693    HH   TYR  82           HH       TYR  82 104.590  -3.313  11.220
  694    H    TRP  83           HN       TRP  83  98.011  -5.786   5.760
  695    HA   TRP  83           HA       TRP  83  97.945  -4.014   3.586
  696    HB2  TRP  83           HB2      TRP  83  95.869  -6.141   4.040
  697    HB3  TRP  83           HB1      TRP  83  96.555  -5.582   2.514
  698    HD1  TRP  83           HD1      TRP  83  99.592  -5.614   3.975
  699    HE1  TRP  83           HE1      TRP  83 100.786  -7.894   4.035
  700    HE3  TRP  83           HE3      TRP  83  95.607  -8.720   3.218
  701    HZ2  TRP  83           HZ2      TRP  83 100.143 -10.670   3.785
  702    HZ3  TRP  83           HZ3      TRP  83  95.928 -11.176   3.133
  703    HH2  TRP  83           HH2      TRP  83  98.189 -12.154   3.418
  704    H    ASN  84           HN       ASN  84  95.522  -4.627   6.100
  705    HA   ASN  84           HA       ASN  84  93.489  -3.018   4.971
  706    HB2  ASN  84           HB2      ASN  84  94.074  -4.061   7.725
  707    HB3  ASN  84           HB1      ASN  84  92.767  -2.906   7.487
  708   HD21  ASN  84          HD21      ASN  84  92.482  -5.760   8.264
  709   HD22  ASN  84          HD22      ASN  84  91.557  -6.487   7.040
  710    H    LEU  85           HN       LEU  85  95.997  -2.234   7.410
  711    HA   LEU  85           HA       LEU  85  95.107   0.427   7.759
  712    HB2  LEU  85           HB2      LEU  85  96.477  -0.775   9.420
  713    HB3  LEU  85           HB1      LEU  85  97.821  -0.808   8.278
  714    HG   LEU  85           HG       LEU  85  97.822   1.672   8.219
  715   HD11  LEU  85          HD11      LEU  85  95.765   2.523   8.774
  716   HD12  LEU  85          HD12      LEU  85  96.490   2.574  10.380
  717   HD13  LEU  85          HD13      LEU  85  95.426   1.239   9.935
  718   HD21  LEU  85          HD21      LEU  85  99.194   0.345   9.834
  719   HD22  LEU  85          HD22      LEU  85  97.947   0.613  11.049
  720   HD23  LEU  85          HD23      LEU  85  98.837   1.982  10.379
  721    H    ILE  86           HN       ILE  86  97.864  -0.968   5.962
  722    HA   ILE  86           HA       ILE  86  98.769   1.455   4.877
  723    HB   ILE  86           HB       ILE  86  99.249  -1.404   4.422
  724   HG12  ILE  86          HG12      ILE  86 101.236   0.775   3.880
  725   HG13  ILE  86          HG11      ILE  86 100.688   0.555   5.543
  726   HG21  ILE  86          HG21      ILE  86 100.365  -0.997   2.201
  727   HG22  ILE  86          HG22      ILE  86  99.492   0.526   2.110
  728   HG23  ILE  86          HG23      ILE  86  98.606  -0.994   2.145
  729   HD11  ILE  86          HD11      ILE  86 101.670  -1.741   3.850
  730   HD12  ILE  86          HD12      ILE  86 101.449  -1.695   5.598
  731   HD13  ILE  86          HD13      ILE  86 102.754  -0.772   4.850
  732    H    LYS  87           HN       LYS  87  96.285  -0.783   3.851
  733    HA   LYS  87           HA       LYS  87  95.884   0.165   1.256
  734    HB2  LYS  87           HB2      LYS  87  94.763  -1.823   1.787
  735    HB3  LYS  87           HB1      LYS  87  94.077  -1.154   3.266
  736    HG2  LYS  87           HG2      LYS  87  92.556   0.250   2.021
  737    HG3  LYS  87           HG1      LYS  87  93.349  -0.158   0.492
  738    HD2  LYS  87           HD2      LYS  87  92.664  -2.523   0.806
  739    HD3  LYS  87           HD1      LYS  87  91.849  -2.064   2.303
  740    HE2  LYS  87           HE2      LYS  87  90.405  -0.508   1.054
  741    HE3  LYS  87           HE1      LYS  87  91.217  -0.954  -0.446
  742    HZ1  LYS  87           HZ1      LYS  87  89.421  -2.566   1.237
  743    HZ2  LYS  87           HZ2      LYS  87  90.564  -3.332   0.241
  744    HZ3  LYS  87           HZ3      LYS  87  89.382  -2.320  -0.440
  745    H    GLU  88           HN       GLU  88  94.461   1.221   4.335
  746    HA   GLU  88           HA       GLU  88  93.008   3.341   3.026
  747    HB2  GLU  88           HB2      GLU  88  92.163   3.817   5.265
  748    HB3  GLU  88           HB1      GLU  88  92.080   2.105   4.908
  749    HG2  GLU  88           HG2      GLU  88  93.984   1.617   6.184
  750    HG3  GLU  88           HG1      GLU  88  94.321   3.312   6.466
  751    H    LEU  89           HN       LEU  89  96.100   2.881   4.408
  752    HA   LEU  89           HA       LEU  89  96.516   5.395   5.542
  753    HB2  LEU  89           HB2      LEU  89  97.966   3.344   5.818
  754    HB3  LEU  89           HB1      LEU  89  98.594   3.651   4.211
  755    HG   LEU  89           HG       LEU  89  99.335   5.871   4.951
  756   HD11  LEU  89          HD11      LEU  89  98.140   6.626   6.751
  757   HD12  LEU  89          HD12      LEU  89  99.488   5.906   7.632
  758   HD13  LEU  89          HD13      LEU  89  97.977   5.014   7.449
  759   HD21  LEU  89          HD21      LEU  89 101.247   5.123   6.250
  760   HD22  LEU  89          HD22      LEU  89 100.858   3.905   5.036
  761   HD23  LEU  89          HD23      LEU  89 100.385   3.655   6.715
  762    H    ILE  90           HN       ILE  90  97.123   4.139   2.294
  763    HA   ILE  90           HA       ILE  90  98.437   6.411   1.308
  764    HB   ILE  90           HB       ILE  90  96.793   4.293  -0.119
  765   HG12  ILE  90          HG12      ILE  90  99.731   4.748   0.452
  766   HG13  ILE  90          HG11      ILE  90  98.750   3.339   0.829
  767   HG21  ILE  90          HG21      ILE  90  97.761   5.131  -2.241
  768   HG22  ILE  90          HG22      ILE  90  98.624   6.395  -1.368
  769   HG23  ILE  90          HG23      ILE  90  96.867   6.431  -1.473
  770   HD11  ILE  90          HD11      ILE  90  98.426   3.285  -1.809
  771   HD12  ILE  90          HD12      ILE  90  99.853   2.570  -1.067
  772   HD13  ILE  90          HD13      ILE  90  99.945   4.176  -1.781
  773    H    ASP  91           HN       ASP  91  95.011   5.494   1.376
  774    HA   ASP  91           HA       ASP  91  93.887   7.450  -0.203
  775    HB2  ASP  91           HB2      ASP  91  92.942   6.021   2.268
  776    HB3  ASP  91           HB1      ASP  91  91.955   7.312   1.589
  777    H    LYS  92           HN       LYS  92  95.148   7.751   3.059
  778    HA   LYS  92           HA       LYS  92  94.093  10.348   3.569
  779    HB2  LYS  92           HB2      LYS  92  96.462   8.868   4.734
  780    HB3  LYS  92           HB1      LYS  92  95.876  10.417   5.341
  781    HG2  LYS  92           HG2      LYS  92  93.658   9.404   5.758
  782    HG3  LYS  92           HG1      LYS  92  94.266   7.854   5.173
  783    HD2  LYS  92           HD2      LYS  92  95.969   7.840   6.958
  784    HD3  LYS  92           HD1      LYS  92  95.362   9.389   7.548
  785    HE2  LYS  92           HE2      LYS  92  93.164   8.378   7.990
  786    HE3  LYS  92           HE1      LYS  92  93.745   6.829   7.378
  787    HZ1  LYS  92           HZ1      LYS  92  95.147   8.219   9.571
  788    HZ2  LYS  92           HZ2      LYS  92  95.184   6.572   9.159
  789    HZ3  LYS  92           HZ3      LYS  92  93.801   7.237   9.887
  790    H    LYS  93           HN       LYS  93  94.901  12.339   3.129
  791    HA   LYS  93           HA       LYS  93  97.099  12.478   1.201
  792    HB2  LYS  93           HB2      LYS  93  95.029  14.475   2.122
  793    HB3  LYS  93           HB1      LYS  93  96.365  14.907   1.054
  794    HG2  LYS  93           HG2      LYS  93  95.638  13.186  -0.557
  795    HG3  LYS  93           HG1      LYS  93  94.299  12.754   0.507
  796    HD2  LYS  93           HD2      LYS  93  93.425  15.068   0.323
  797    HD3  LYS  93           HD1      LYS  93  94.740  15.463  -0.785
  798    HE2  LYS  93           HE2      LYS  93  92.603  13.359  -1.236
  799    HE3  LYS  93           HE1      LYS  93  92.719  14.916  -2.057
  800    HZ1  LYS  93           HZ1      LYS  93  95.071  14.093  -2.663
  801    HZ2  LYS  93           HZ2      LYS  93  93.739  13.495  -3.532
  802    HZ3  LYS  93           HZ3      LYS  93  94.454  12.552  -2.313
  803    H    GLU  94           HN       GLU  94  96.783  12.584   4.486
  804    HA   GLU  94           HA       GLU  94  98.691  14.728   4.975
  805    HB2  GLU  94           HB2      GLU  94  97.294  12.768   6.807
  806    HB3  GLU  94           HB1      GLU  94  98.435  13.994   7.363
  807    HG2  GLU  94           HG2      GLU  94  97.036  15.773   6.473
  808    HG3  GLU  94           HG1      GLU  94  95.933  14.596   5.763
  809    H    VAL  95           HN       VAL  95  99.213  12.003   3.547
  810    HA   VAL  95           HA       VAL  95 101.526  11.206   5.214
  811    HB   VAL  95           HB       VAL  95 100.529   9.523   2.943
  812   HG11  VAL  95          HG11      VAL  95 101.653   7.837   4.008
  813   HG12  VAL  95          HG12      VAL  95 101.295   8.465   5.617
  814   HG13  VAL  95          HG13      VAL  95 102.578   9.195   4.651
  815   HG21  VAL  95          HG21      VAL  95  98.444   9.880   4.019
  816   HG22  VAL  95          HG22      VAL  95  99.185   9.963   5.617
  817   HG23  VAL  95          HG23      VAL  95  99.049   8.412   4.790
  818    H    ASN  96           HN       ASN  96 102.978  12.810   4.426
  819    HA   ASN  96           HA       ASN  96 103.769  12.349   1.606
  820    HB2  ASN  96           HB2      ASN  96 104.541  14.760   1.668
  821    HB3  ASN  96           HB1      ASN  96 102.794  14.524   1.672
  822   HD21  ASN  96          HD21      ASN  96 104.510  16.774   2.842
  823   HD22  ASN  96          HD22      ASN  96 104.020  16.870   4.464
  824    HA   PRO  97           HA       PRO  97 107.409  11.586   4.347
  825    HB2  PRO  97           HB2      PRO  97 108.038   9.121   3.377
  826    HB3  PRO  97           HB1      PRO  97 106.865   9.382   4.678
  827    HG2  PRO  97           HG2      PRO  97 106.416   8.714   1.844
  828    HG3  PRO  97           HG1      PRO  97 105.457   8.307   3.272
  829    HD2  PRO  97           HD2      PRO  97 104.885  10.335   1.428
  830    HD3  PRO  97           HD1      PRO  97 104.151  10.132   3.031
  831    H    GLN  98           HN       GLN  98 106.850  11.136   0.940
  832    HA   GLN  98           HA       GLN  98 109.390  10.890  -0.103
  833    HB2  GLN  98           HB2      GLN  98 107.413  12.751  -1.390
  834    HB3  GLN  98           HB1      GLN  98 108.532  11.621  -2.146
  835    HG2  GLN  98           HG2      GLN  98 106.012  10.876  -0.586
  836    HG3  GLN  98           HG1      GLN  98 106.297  10.717  -2.330
  837   HE21  GLN  98          HE21      GLN  98 105.840   8.617  -0.134
  838   HE22  GLN  98          HE22      GLN  98 107.124   7.531  -0.357
  839    H    VAL  99           HN       VAL  99 107.954  13.604   1.487
  840    HA   VAL  99           HA       VAL  99 109.214  15.822   0.486
  841    HB   VAL  99           HB       VAL  99 109.019  15.067   3.400
  842   HG11  VAL  99          HG11      VAL  99 110.084  17.024   3.740
  843   HG12  VAL  99          HG12      VAL  99 108.656  17.818   3.078
  844   HG13  VAL  99          HG13      VAL  99 110.014  17.428   2.024
  845   HG21  VAL  99          HG21      VAL  99 107.089  16.786   1.850
  846   HG22  VAL  99          HG22      VAL  99 106.830  15.954   3.383
  847   HG23  VAL  99          HG23      VAL  99 106.907  15.034   1.881
  848    H    MET 100           HN       MET 100 110.696  13.992   3.189
  849    HA   MET 100           HA       MET 100 113.296  15.118   2.565
  850    HB2  MET 100           HB2      MET 100 112.563  13.033   4.617
  851    HB3  MET 100           HB1      MET 100 114.053  13.977   4.549
  852    HG2  MET 100           HG2      MET 100 111.272  15.142   4.882
  853    HG3  MET 100           HG1      MET 100 112.437  14.921   6.187
  854    HE1  MET 100           HE1      MET 100 115.123  17.273   5.831
  855    HE2  MET 100           HE2      MET 100 115.389  16.043   4.598
  856    HE3  MET 100           HE3      MET 100 114.665  15.593   6.139
  857    H    ALA 101           HN       ALA 101 111.782  11.943   2.466
  858    HA   ALA 101           HA       ALA 101 114.027  10.431   1.778
  859    HB1  ALA 101           HB1      ALA 101 111.106  10.032   1.156
  860    HB2  ALA 101           HB2      ALA 101 112.052   9.251   2.418
  861    HB3  ALA 101           HB3      ALA 101 112.342   8.855   0.724
  862    H    ALA 102           HN       ALA 102 112.344  12.751  -0.114
  863    HA   ALA 102           HA       ALA 102 113.239  11.654  -2.653
  864    HB1  ALA 102           HB1      ALA 102 110.999  12.588  -2.476
  865    HB2  ALA 102           HB2      ALA 102 111.983  13.495  -3.623
  866    HB3  ALA 102           HB3      ALA 102 111.672  14.162  -2.018
  867    H    VAL 103           HN       VAL 103 114.531  13.409  -0.211
  868    HA   VAL 103           HA       VAL 103 115.938  15.426  -1.769
  869    HB   VAL 103           HB       VAL 103 116.333  14.531   1.096
  870   HG11  VAL 103          HG11      VAL 103 117.725  16.480  -0.667
  871   HG12  VAL 103          HG12      VAL 103 118.339  15.570   0.713
  872   HG13  VAL 103          HG13      VAL 103 117.361  17.014   0.975
  873   HG21  VAL 103          HG21      VAL 103 115.024  16.434   1.682
  874   HG22  VAL 103          HG22      VAL 103 114.130  15.634   0.390
  875   HG23  VAL 103          HG23      VAL 103 115.086  17.075   0.040
  876    H    ALA 104           HN       ALA 104 116.276  12.147  -1.404
  877    HA   ALA 104           HA       ALA 104 119.059  11.803  -1.130
  878    HB1  ALA 104           HB1      ALA 104 116.902  10.092  -2.380
  879    HB2  ALA 104           HB2      ALA 104 117.711   9.884  -0.823
  880    HB3  ALA 104           HB3      ALA 104 118.599   9.593  -2.316
  881    H    GLN 105           HN       GLN 105 117.028  12.521  -3.875
  882    HA   GLN 105           HA       GLN 105 117.542  12.578  -6.177
  883    HB2  GLN 105           HB2      GLN 105 119.375  14.565  -4.823
  884    HB3  GLN 105           HB1      GLN 105 119.055  14.542  -6.557
  885    HG2  GLN 105           HG2      GLN 105 116.636  14.813  -6.104
  886    HG3  GLN 105           HG1      GLN 105 116.974  14.872  -4.375
  887   HE21  GLN 105          HE21      GLN 105 116.336  16.876  -6.927
  888   HE22  GLN 105          HE22      GLN 105 117.171  18.263  -6.419
  889    H    THR 106           HN       THR 106 118.443  10.549  -6.668
  890    HA   THR 106           HA       THR 106 121.254  10.049  -6.236
  891    HB   THR 106           HB       THR 106 120.822   7.944  -7.432
  892    HG1  THR 106           HG1      THR 106 119.202   7.838  -8.737
  893   HG21  THR 106          HG21      THR 106 118.963   8.853  -5.253
  894   HG22  THR 106          HG22      THR 106 120.298   7.704  -5.172
  895   HG23  THR 106          HG23      THR 106 118.781   7.238  -5.940
  896    H    GLU 107           HN       GLU 107 122.628   9.323  -8.123
  897    HA   GLU 107           HA       GLU 107 122.073  10.896 -10.558
  898    HB2  GLU 107           HB2      GLU 107 124.684  10.850  -9.027
  899    HB3  GLU 107           HB1      GLU 107 124.451  11.578 -10.618
  900    HG2  GLU 107           HG2      GLU 107 122.745  13.099  -9.707
  901    HG3  GLU 107           HG1      GLU 107 122.930  12.373  -8.112
  902    H    GLU 108           HN       GLU 108 123.154  10.132 -12.453
  903    HA   GLU 108           HA       GLU 108 123.353   7.281 -12.569
  904    HB2  GLU 108           HB2      GLU 108 124.088   9.404 -14.604
  905    HB3  GLU 108           HB1      GLU 108 123.992   7.672 -14.937
  906    HG2  GLU 108           HG2      GLU 108 121.691   9.339 -13.868
  907    HG3  GLU 108           HG1      GLU 108 121.903   8.919 -15.566
  908    H    ILE 109           HN       ILE 109 125.096   6.017 -12.342
  909    HA   ILE 109           HA       ILE 109 127.491   6.938 -11.258
  910    HB   ILE 109           HB       ILE 109 128.383   4.676 -11.838
  911   HG12  ILE 109          HG12      ILE 109 125.733   4.254 -13.269
  912   HG13  ILE 109          HG11      ILE 109 127.233   4.610 -14.122
  913   HG21  ILE 109          HG21      ILE 109 125.642   5.023 -10.642
  914   HG22  ILE 109          HG22      ILE 109 127.147   4.540  -9.857
  915   HG23  ILE 109          HG23      ILE 109 126.270   3.392 -10.865
  916   HD11  ILE 109          HD11      ILE 109 126.650   2.210 -12.372
  917   HD12  ILE 109          HD12      ILE 109 128.257   2.608 -12.980
  918   HD13  ILE 109          HD13      ILE 109 126.959   2.219 -14.109
  919    H    LEU 110           HN       LEU 110 126.430   6.833 -14.544
  920    HA   LEU 110           HA       LEU 110 128.932   6.840 -15.859
  921    HB2  LEU 110           HB2      LEU 110 126.250   7.987 -16.666
  922    HB3  LEU 110           HB1      LEU 110 127.639   7.874 -17.749
  923    HG   LEU 110           HG       LEU 110 126.417   5.520 -16.284
  924   HD11  LEU 110          HD11      LEU 110 124.745   6.022 -17.805
  925   HD12  LEU 110          HD12      LEU 110 125.771   4.971 -18.781
  926   HD13  LEU 110          HD13      LEU 110 125.868   6.721 -18.971
  927   HD21  LEU 110          HD21      LEU 110 127.740   4.465 -18.401
  928   HD22  LEU 110          HD22      LEU 110 128.494   4.696 -16.825
  929   HD23  LEU 110          HD23      LEU 110 128.753   5.879 -18.107
  930    H    LYS 111           HN       LYS 111 126.891   9.427 -14.581
  931    HA   LYS 111           HA       LYS 111 128.460  11.579 -15.553
  932    HB2  LYS 111           HB2      LYS 111 126.099  11.818 -14.842
  933    HB3  LYS 111           HB1      LYS 111 126.588  11.533 -13.170
  934    HG2  LYS 111           HG2      LYS 111 128.039  13.507 -13.229
  935    HG3  LYS 111           HG1      LYS 111 127.646  13.774 -14.929
  936    HD2  LYS 111           HD2      LYS 111 125.264  14.077 -14.322
  937    HD3  LYS 111           HD1      LYS 111 125.675  13.835 -12.623
  938    HE2  LYS 111           HE2      LYS 111 127.151  15.800 -12.683
  939    HE3  LYS 111           HE1      LYS 111 126.782  16.035 -14.392
  940    HZ1  LYS 111           HZ1      LYS 111 124.436  15.806 -12.761
  941    HZ2  LYS 111           HZ2      LYS 111 124.849  16.991 -13.906
  942    HZ3  LYS 111           HZ3      LYS 111 125.414  17.117 -12.309
  943    H    SER 112           HN       SER 112 128.442   9.730 -12.544
  944    HA   SER 112           HA       SER 112 130.214  11.334 -11.094
  945    HB2  SER 112           HB2      SER 112 130.611   9.336  -9.718
  946    HB3  SER 112           HB1      SER 112 128.898   9.523 -10.078
  947    HG   SER 112           HG       SER 112 130.551   7.498 -10.680
  948    H    ASN 113           HN       ASN 113 130.834   8.563 -13.216
  949    HA   ASN 113           HA       ASN 113 133.657   8.566 -12.873
  950    HB2  ASN 113           HB2      ASN 113 132.492   6.602 -13.725
  951    HB3  ASN 113           HB1      ASN 113 131.961   7.504 -15.143
  952   HD21  ASN 113          HD21      ASN 113 133.221   5.656 -16.274
  953   HD22  ASN 113          HD22      ASN 113 134.886   5.888 -16.505
  954    H    SER 114           HN       SER 114 131.506  10.032 -15.270
  955    HA   SER 114           HA       SER 114 133.464  12.086 -15.832
  956    HB2  SER 114           HB2      SER 114 134.036  10.045 -17.310
  957    HB3  SER 114           HB1      SER 114 132.558  10.434 -18.185
  958    HG   SER 114           HG       SER 114 134.962  11.844 -17.969
  959    H    GLN 115           HN       GLN 115 132.475  13.944 -16.422
  960    HA   GLN 115           HA       GLN 115 129.566  13.917 -16.611
  961    HB2  GLN 115           HB2      GLN 115 131.558  16.194 -16.488
  962    HB3  GLN 115           HB1      GLN 115 129.811  16.394 -16.512
  963    HG2  GLN 115           HG2      GLN 115 129.629  15.035 -14.455
  964    HG3  GLN 115           HG1      GLN 115 131.384  14.876 -14.417
  965   HE21  GLN 115          HE21      GLN 115 130.706  16.020 -12.175
  966   HE22  GLN 115          HE22      GLN 115 130.797  17.714 -12.200
  967    H    THR 116           HN       THR 116 131.001  12.765 -18.818
  968    HA   THR 116           HA       THR 116 131.197  14.616 -20.985
  969    HB   THR 116           HB       THR 116 131.278  12.580 -22.396
  970    HG1  THR 116           HG1      THR 116 129.759  11.411 -21.068
  971   HG21  THR 116          HG21      THR 116 133.439  12.640 -21.773
  972   HG22  THR 116          HG22      THR 116 133.045  11.499 -20.487
  973   HG23  THR 116          HG23      THR 116 133.004  13.234 -20.170
  974    H    ASP 117           HN       ASP 117 128.645  12.451 -19.827
  975    HA   ASP 117           HA       ASP 117 126.856  12.770 -21.979
  976    HB2  ASP 117           HB2      ASP 117 126.577  11.984 -19.092
  977    HB3  ASP 117           HB1      ASP 117 125.128  12.283 -20.046
  978    H    LEU 118           HN       LEU 118 127.144  14.549 -18.913
  979    HA   LEU 118           HA       LEU 118 125.725  16.781 -20.201
  980    HB2  LEU 118           HB2      LEU 118 125.217  15.633 -17.457
  981    HB3  LEU 118           HB1      LEU 118 124.651  17.232 -17.945
  982    HG   LEU 118           HG       LEU 118 124.033  14.712 -19.512
  983   HD11  LEU 118          HD11      LEU 118 122.133  16.110 -17.620
  984   HD12  LEU 118          HD12      LEU 118 123.112  14.733 -17.114
  985   HD13  LEU 118          HD13      LEU 118 121.929  14.547 -18.409
  986   HD21  LEU 118          HD21      LEU 118 122.033  16.705 -19.786
  987   HD22  LEU 118          HD22      LEU 118 123.188  16.179 -21.006
  988   HD23  LEU 118          HD23      LEU 118 123.575  17.542 -19.956
  989    H    GLU 119           HN       GLU 119 126.465  18.836 -19.648
  990    HA   GLU 119           HA       GLU 119 128.847  18.910 -17.888
  991    HB2  GLU 119           HB2      GLU 119 128.254  20.446 -20.429
  992    HB3  GLU 119           HB1      GLU 119 129.595  20.814 -19.343
  993    HG2  GLU 119           HG2      GLU 119 130.513  18.572 -19.661
  994    HG3  GLU 119           HG1      GLU 119 129.138  18.128 -20.670
  995    H    HIS 120           HN       HIS 120 129.262  21.398 -17.375
  996    HA   HIS 120           HA       HIS 120 126.698  22.542 -16.431
  997    HB2  HIS 120           HB2      HIS 120 129.348  22.235 -15.041
  998    HB3  HIS 120           HB1      HIS 120 128.219  23.502 -14.561
  999    HD1  HIS 120           HD1      HIS 120 128.574  19.752 -14.708
 1000    HD2  HIS 120           HD2      HIS 120 125.895  22.583 -13.230
 1001    HE1  HIS 120           HE1      HIS 120 126.935  18.492 -13.246
 1002    HE2  HIS 120           HE2      HIS 120 125.295  20.204 -12.337
 1003    H    HIS 121           HN       HIS 121 126.363  24.676 -16.770
 1004    HA   HIS 121           HA       HIS 121 128.466  26.140 -18.244
 1005    HB2  HIS 121           HB2      HIS 121 125.462  26.528 -18.218
 1006    HB3  HIS 121           HB1      HIS 121 126.607  27.521 -19.120
 1007    HD1  HIS 121           HD1      HIS 121 127.956  26.308 -21.063
 1008    HD2  HIS 121           HD2      HIS 121 124.858  24.060 -19.410
 1009    HE1  HIS 121           HE1      HIS 121 127.532  24.390 -22.661
 1010    HE2  HIS 121           HE2      HIS 121 125.646  23.010 -21.667
 1011    H    HIS 122           HN       HIS 122 129.275  27.972 -17.419
 1012    HA   HIS 122           HA       HIS 122 128.095  28.997 -14.909
 1013    HB2  HIS 122           HB2      HIS 122 130.937  29.082 -15.942
 1014    HB3  HIS 122           HB1      HIS 122 130.385  29.941 -14.504
 1015    HD1  HIS 122           HD1      HIS 122 128.997  28.208 -12.765
 1016    HD2  HIS 122           HD2      HIS 122 131.875  26.569 -15.298
 1017    HE1  HIS 122           HE1      HIS 122 129.635  25.967 -11.771
 1018    HE2  HIS 122           HE2      HIS 122 131.389  24.957 -13.304
 1019    H    HIS 123           HN       HIS 123 127.513  31.085 -14.752
 1020    HA   HIS 123           HA       HIS 123 128.122  32.884 -17.016
 1021    HB2  HIS 123           HB2      HIS 123 125.466  32.459 -15.641
 1022    HB3  HIS 123           HB1      HIS 123 125.811  33.835 -16.689
 1023    HD1  HIS 123           HD1      HIS 123 126.482  33.234 -19.215
 1024    HD2  HIS 123           HD2      HIS 123 124.842  30.101 -17.008
 1025    HE1  HIS 123           HE1      HIS 123 125.792  31.462 -20.889
 1026    HE2  HIS 123           HE2      HIS 123 124.791  29.546 -19.558
 1027    H    HIS 124           HN       HIS 124 128.378  35.057 -16.521
 1028    HA   HIS 124           HA       HIS 124 129.427  35.642 -13.954
 1029    HB2  HIS 124           HB2      HIS 124 128.663  37.381 -16.300
 1030    HB3  HIS 124           HB1      HIS 124 129.358  38.038 -14.818
 1031    HD1  HIS 124           HD1      HIS 124 130.184  35.792 -17.732
 1032    HD2  HIS 124           HD2      HIS 124 132.111  37.505 -14.457
 1033    HE1  HIS 124           HE1      HIS 124 132.662  35.401 -18.073
 1034    HE2  HIS 124           HE2      HIS 124 133.851  36.439 -16.085
 1035    H    HIS 125           HN       HIS 125 126.336  36.376 -15.521
 1036    HA   HIS 125           HA       HIS 125 125.272  37.196 -12.882
 1037    HB2  HIS 125           HB2      HIS 125 124.650  38.337 -15.614
 1038    HB3  HIS 125           HB1      HIS 125 123.709  38.686 -14.164
 1039    HD1  HIS 125           HD1      HIS 125 126.934  39.472 -15.853
 1040    HD2  HIS 125           HD2      HIS 125 125.136  40.210 -12.164
 1041    HE1  HIS 125           HE1      HIS 125 128.310  41.279 -14.732
 1042    HE2  HIS 125           HE2      HIS 125 127.227  41.739 -12.482
  Start of MODEL    9
    1    H21  MYR   1          1H2       MYR   1 112.384  14.513   3.963
    2    H22  MYR   1          2H2       MYR   1 112.835  14.443   2.401
    3    H31  MYR   1          1H3       MYR   1 112.498  11.872   3.163
    4    H32  MYR   1          2H3       MYR   1 111.219  12.668   3.777
    5    H41  MYR   1          1H4       MYR   1 111.077  13.601   1.401
    6    H42  MYR   1          2H4       MYR   1 111.846  12.213   1.035
    7    H51  MYR   1          1H5       MYR   1 109.176  12.546   1.948
    8    H52  MYR   1          2H5       MYR   1 109.726  11.479   0.842
    9    H61  MYR   1          1H6       MYR   1 110.868  10.729   3.179
   10    H62  MYR   1          2H6       MYR   1 109.319  11.080   3.556
   11    H71  MYR   1          1H7       MYR   1 109.014   9.536   1.463
   12    H72  MYR   1          2H7       MYR   1 110.320   8.871   2.176
   13    H81  MYR   1          1H8       MYR   1 108.833   8.908   4.227
   14    H82  MYR   1          2H8       MYR   1 107.640   8.932   3.118
   15    H91  MYR   1          1H9       MYR   1 108.290   6.857   2.279
   16    H92  MYR   1          2H9       MYR   1 109.629   6.845   3.206
   17   H101  MYR   1          1H10      MYR   1 108.499   6.297   5.064
   18   H102  MYR   1          2H10      MYR   1 107.105   6.951   4.533
   19   H111  MYR   1          1H11      MYR   1 106.688   5.110   3.153
   20   H112  MYR   1          2H11      MYR   1 108.164   4.490   3.445
   21   H121  MYR   1          1H12      MYR   1 107.472   3.481   5.256
   22   H122  MYR   1          2H12      MYR   1 106.777   4.838   5.826
   23   H131  MYR   1          1H13      MYR   1 104.782   4.139   5.274
   24   H132  MYR   1          2H13      MYR   1 105.254   3.780   3.759
   25   H141  MYR   1          1H14      MYR   1 105.481   1.627   4.210
   26   H142  MYR   1          2H14      MYR   1 106.130   1.925   5.683
   27   H143  MYR   1          3H14      MYR   1 104.510   1.963   5.486
   28    H    GLY   2           HN       GLY   2 114.508  13.526   1.715
   29    HA2  GLY   2           HA2      GLY   2 116.382  12.026   2.151
   30    HA3  GLY   2           HA1      GLY   2 115.601  11.592   3.669
   31    H    GLN   3           HN       GLN   3 115.275  11.392   0.147
   32    HA   GLN   3           HA       GLN   3 113.047   9.887  -0.225
   33    HB2  GLN   3           HB2      GLN   3 115.767   9.528  -1.487
   34    HB3  GLN   3           HB1      GLN   3 114.315   8.711  -2.061
   35    HG2  GLN   3           HG2      GLN   3 113.223  10.869  -2.453
   36    HG3  GLN   3           HG1      GLN   3 114.629  11.715  -1.809
   37   HE21  GLN   3          HE21      GLN   3 114.269  12.606  -4.235
   38   HE22  GLN   3          HE22      GLN   3 115.210  11.823  -5.411
   39    H    GLU   4           HN       GLU   4 116.250   8.429   0.383
   40    HA   GLU   4           HA       GLU   4 114.996   5.900   1.047
   41    HB2  GLU   4           HB2      GLU   4 117.871   6.805   0.975
   42    HB3  GLU   4           HB1      GLU   4 117.376   5.192   1.495
   43    HG2  GLU   4           HG2      GLU   4 116.271   4.815  -0.658
   44    HG3  GLU   4           HG1      GLU   4 116.712   6.440  -1.182
   45    H    LEU   5           HN       LEU   5 117.398   7.869   2.717
   46    HA   LEU   5           HA       LEU   5 117.372   6.756   5.162
   47    HB2  LEU   5           HB2      LEU   5 118.696   8.713   4.761
   48    HB3  LEU   5           HB1      LEU   5 117.261   9.714   4.593
   49    HG   LEU   5           HG       LEU   5 118.522   9.798   6.817
   50   HD11  LEU   5          HD11      LEU   5 115.932  10.395   6.370
   51   HD12  LEU   5          HD12      LEU   5 116.729  10.548   7.936
   52   HD13  LEU   5          HD13      LEU   5 115.770   9.116   7.600
   53   HD21  LEU   5          HD21      LEU   5 118.751   7.277   6.928
   54   HD22  LEU   5          HD22      LEU   5 117.069   7.255   7.468
   55   HD23  LEU   5          HD23      LEU   5 118.291   8.091   8.417
   56    H    SER   6           HN       SER   6 115.162   9.511   4.540
   57    HA   SER   6           HA       SER   6 113.688   9.412   6.764
   58    HB2  SER   6           HB2      SER   6 111.965  10.504   5.591
   59    HB3  SER   6           HB1      SER   6 113.424  10.879   4.670
   60    HG   SER   6           HG       SER   6 112.860   8.883   3.467
   61    H    GLN   7           HN       GLN   7 113.204   7.375   3.909
   62    HA   GLN   7           HA       GLN   7 110.905   6.021   4.590
   63    HB2  GLN   7           HB2      GLN   7 112.355   5.734   2.497
   64    HB3  GLN   7           HB1      GLN   7 113.313   4.611   3.461
   65    HG2  GLN   7           HG2      GLN   7 111.328   3.257   3.912
   66    HG3  GLN   7           HG1      GLN   7 110.344   4.371   2.961
   67   HE21  GLN   7          HE21      GLN   7 111.039   1.447   2.462
   68   HE22  GLN   7          HE22      GLN   7 111.705   1.430   0.901
   69    H    HIS   8           HN       HIS   8 114.223   4.855   5.310
   70    HA   HIS   8           HA       HIS   8 113.526   2.726   6.948
   71    HB2  HIS   8           HB2      HIS   8 115.927   4.571   7.039
   72    HB3  HIS   8           HB1      HIS   8 115.779   3.102   8.025
   73    HD1  HIS   8           HD1      HIS   8 118.020   2.781   6.226
   74    HD2  HIS   8           HD2      HIS   8 114.152   2.117   4.818
   75    HE1  HIS   8           HE1      HIS   8 118.247   1.354   4.145
   76    HE2  HIS   8           HE2      HIS   8 115.896   0.938   3.280
   77    H    GLU   9           HN       GLU   9 113.972   6.109   7.834
   78    HA   GLU   9           HA       GLU   9 113.696   5.741  10.635
   79    HB2  GLU   9           HB2      GLU   9 114.640   7.783   9.589
   80    HB3  GLU   9           HB1      GLU   9 113.039   8.185   8.970
   81    HG2  GLU   9           HG2      GLU   9 112.164   8.314  11.271
   82    HG3  GLU   9           HG1      GLU   9 113.750   7.881  11.904
   83    H    ARG  10           HN       ARG  10 111.302   7.172   8.389
   84    HA   ARG  10           HA       ARG  10 109.184   7.057  10.278
   85    HB2  ARG  10           HB2      ARG  10 109.152   7.316   7.269
   86    HB3  ARG  10           HB1      ARG  10 107.734   7.494   8.295
   87    HG2  ARG  10           HG2      ARG  10 108.791   9.336   9.505
   88    HG3  ARG  10           HG1      ARG  10 110.260   9.150   8.548
   89    HD2  ARG  10           HD2      ARG  10 108.942   9.635   6.492
   90    HD3  ARG  10           HD1      ARG  10 107.518   9.901   7.494
   91    HE   ARG  10           HE       ARG  10 109.771  11.701   7.174
   92   HH11  ARG  10          HH11      ARG  10 109.553  13.708   8.213
   93   HH12  ARG  10          HH12      ARG  10 108.314  13.932   9.402
   94   HH21  ARG  10          HH21      ARG  10 107.090  10.700   9.121
   95   HH22  ARG  10          HH22      ARG  10 106.920  12.229   9.917
   96    H    TYR  11           HN       TYR  11 110.030   5.003   7.510
   97    HA   TYR  11           HA       TYR  11 107.889   3.247   7.495
   98    HB2  TYR  11           HB2      TYR  11 109.744   3.141   5.863
   99    HB3  TYR  11           HB1      TYR  11 110.802   2.526   7.135
  100    HD1  TYR  11           HD1      TYR  11 108.121   1.704   4.806
  101    HD2  TYR  11           HD2      TYR  11 110.415   0.313   8.153
  102    HE1  TYR  11           HE1      TYR  11 107.318  -0.598   4.386
  103    HE2  TYR  11           HE2      TYR  11 109.632  -2.000   7.728
  104    HH   TYR  11           HH       TYR  11 108.586  -3.340   6.242
  105    H    VAL  12           HN       VAL  12 110.936   2.789   9.318
  106    HA   VAL  12           HA       VAL  12 110.061   0.489  10.701
  107    HB   VAL  12           HB       VAL  12 112.185   2.551  11.200
  108   HG11  VAL  12          HG11      VAL  12 111.192   0.384  13.061
  109   HG12  VAL  12          HG12      VAL  12 111.579   2.064  13.452
  110   HG13  VAL  12          HG13      VAL  12 112.866   0.921  13.085
  111   HG21  VAL  12          HG21      VAL  12 113.610   0.624  10.848
  112   HG22  VAL  12          HG22      VAL  12 112.418   0.662   9.546
  113   HG23  VAL  12          HG23      VAL  12 112.218  -0.467  10.894
  114    H    GLU  13           HN       GLU  13 110.332   3.806  12.065
  115    HA   GLU  13           HA       GLU  13 109.058   3.208  14.474
  116    HB2  GLU  13           HB2      GLU  13 109.093   5.815  12.954
  117    HB3  GLU  13           HB1      GLU  13 108.726   5.631  14.669
  118    HG2  GLU  13           HG2      GLU  13 111.333   4.800  13.363
  119    HG3  GLU  13           HG1      GLU  13 111.093   6.296  14.262
  120    H    GLN  14           HN       GLN  14 107.663   4.551  11.494
  121    HA   GLN  14           HA       GLN  14 105.033   4.767  12.522
  122    HB2  GLN  14           HB2      GLN  14 105.915   6.005  10.533
  123    HB3  GLN  14           HB1      GLN  14 105.851   4.489   9.628
  124    HG2  GLN  14           HG2      GLN  14 103.811   5.751   9.180
  125    HG3  GLN  14           HG1      GLN  14 103.398   4.341  10.162
  126   HE21  GLN  14          HE21      GLN  14 101.819   4.983  11.649
  127   HE22  GLN  14          HE22      GLN  14 101.859   6.430  12.536
  128    H    LEU  15           HN       LEU  15 105.932   2.725   9.815
  129    HA   LEU  15           HA       LEU  15 103.831   1.032   9.709
  130    HB2  LEU  15           HB2      LEU  15 106.215   0.967   8.488
  131    HB3  LEU  15           HB1      LEU  15 106.480  -0.351   9.623
  132    HG   LEU  15           HG       LEU  15 105.596  -1.264   7.545
  133   HD11  LEU  15          HD11      LEU  15 103.264  -1.207   9.454
  134   HD12  LEU  15          HD12      LEU  15 104.762  -2.052   9.841
  135   HD13  LEU  15          HD13      LEU  15 103.817  -2.531   8.431
  136   HD21  LEU  15          HD21      LEU  15 104.059  -0.202   6.291
  137   HD22  LEU  15          HD22      LEU  15 104.207   1.153   7.407
  138   HD23  LEU  15          HD23      LEU  15 102.949  -0.052   7.654
  139    H    LYS  16           HN       LYS  16 106.604   0.538  11.901
  140    HA   LYS  16           HA       LYS  16 105.569  -1.757  13.197
  141    HB2  LYS  16           HB2      LYS  16 107.467   0.341  14.282
  142    HB3  LYS  16           HB1      LYS  16 107.221  -1.266  14.945
  143    HG2  LYS  16           HG2      LYS  16 107.957  -1.008  12.046
  144    HG3  LYS  16           HG1      LYS  16 109.208  -0.813  13.270
  145    HD2  LYS  16           HD2      LYS  16 109.137  -2.978  13.909
  146    HD3  LYS  16           HD1      LYS  16 107.416  -3.158  13.590
  147    HE2  LYS  16           HE2      LYS  16 107.890  -3.181  11.172
  148    HE3  LYS  16           HE1      LYS  16 109.613  -3.004  11.518
  149    HZ1  LYS  16           HZ1      LYS  16 109.737  -5.185  11.771
  150    HZ2  LYS  16           HZ2      LYS  16 108.069  -5.353  11.496
  151    HZ3  LYS  16           HZ3      LYS  16 108.653  -5.103  13.072
  152    H    GLN  17           HN       GLN  17 105.210   1.705  13.816
  153    HA   GLN  17           HA       GLN  17 103.809   1.377  16.290
  154    HB2  GLN  17           HB2      GLN  17 104.941   3.480  15.700
  155    HB3  GLN  17           HB1      GLN  17 103.819   3.720  14.363
  156    HG2  GLN  17           HG2      GLN  17 103.096   5.045  16.264
  157    HG3  GLN  17           HG1      GLN  17 101.943   3.734  16.034
  158   HE21  GLN  17          HE21      GLN  17 101.302   3.410  18.222
  159   HE22  GLN  17          HE22      GLN  17 102.386   2.961  19.449
  160    H    ALA  18           HN       ALA  18 102.660   2.398  13.066
  161    HA   ALA  18           HA       ALA  18  99.972   2.429  13.485
  162    HB1  ALA  18           HB1      ALA  18  99.805   2.551  11.229
  163    HB2  ALA  18           HB2      ALA  18 100.724   1.067  10.980
  164    HB3  ALA  18           HB3      ALA  18 101.565   2.587  11.273
  165    H    LEU  19           HN       LEU  19 102.063  -0.277  13.597
  166    HA   LEU  19           HA       LEU  19  99.917  -2.236  13.309
  167    HB2  LEU  19           HB2      LEU  19 102.870  -2.348  13.719
  168    HB3  LEU  19           HB1      LEU  19 101.913  -3.756  14.162
  169    HG   LEU  19           HG       LEU  19 101.446  -2.462  11.494
  170   HD11  LEU  19          HD11      LEU  19 103.556  -4.574  11.986
  171   HD12  LEU  19          HD12      LEU  19 103.945  -2.865  11.820
  172   HD13  LEU  19          HD13      LEU  19 103.208  -3.730  10.481
  173   HD21  LEU  19          HD21      LEU  19 101.507  -5.398  12.159
  174   HD22  LEU  19          HD22      LEU  19 100.557  -4.563  10.931
  175   HD23  LEU  19          HD23      LEU  19 100.117  -4.426  12.632
  176    H    LYS  20           HN       LYS  20 102.145  -1.198  15.900
  177    HA   LYS  20           HA       LYS  20 101.317  -2.774  17.968
  178    HB2  LYS  20           HB2      LYS  20 103.087  -1.062  18.149
  179    HB3  LYS  20           HB1      LYS  20 101.851   0.194  18.167
  180    HG2  LYS  20           HG2      LYS  20 100.894  -0.730  20.225
  181    HG3  LYS  20           HG1      LYS  20 102.058  -2.056  20.191
  182    HD2  LYS  20           HD2      LYS  20 103.909  -0.435  20.388
  183    HD3  LYS  20           HD1      LYS  20 102.743   0.888  20.435
  184    HE2  LYS  20           HE2      LYS  20 101.747  -0.046  22.482
  185    HE3  LYS  20           HE1      LYS  20 102.888  -1.390  22.433
  186    HZ1  LYS  20           HZ1      LYS  20 103.452   0.594  23.903
  187    HZ2  LYS  20           HZ2      LYS  20 103.815   1.414  22.460
  188    HZ3  LYS  20           HZ3      LYS  20 104.672   0.008  22.881
  189    H    THR  21           HN       THR  21  99.672   0.111  16.760
  190    HA   THR  21           HA       THR  21  97.680   0.288  18.742
  191    HB   THR  21           HB       THR  21  97.906   2.149  17.291
  192    HG1  THR  21           HG1      THR  21  95.809   2.166  17.490
  193   HG21  THR  21          HG21      THR  21  98.983   1.146  15.413
  194   HG22  THR  21          HG22      THR  21  97.487   1.849  14.804
  195   HG23  THR  21          HG23      THR  21  97.591   0.112  15.092
  196    H    ARG  22           HN       ARG  22  98.006  -1.771  15.928
  197    HA   ARG  22           HA       ARG  22  95.261  -2.669  16.035
  198    HB2  ARG  22           HB2      ARG  22  97.646  -3.374  14.363
  199    HB3  ARG  22           HB1      ARG  22  96.266  -4.467  14.405
  200    HG2  ARG  22           HG2      ARG  22  94.790  -2.506  13.803
  201    HG3  ARG  22           HG1      ARG  22  96.254  -1.546  13.575
  202    HD2  ARG  22           HD2      ARG  22  97.042  -3.111  11.876
  203    HD3  ARG  22           HD1      ARG  22  95.624  -4.124  12.135
  204    HE   ARG  22           HE       ARG  22  95.136  -1.339  11.368
  205   HH11  ARG  22          HH11      ARG  22  93.945  -1.100   9.452
  206   HH12  ARG  22          HH12      ARG  22  93.646  -2.477   8.446
  207   HH21  ARG  22          HH21      ARG  22  95.354  -4.683  10.501
  208   HH22  ARG  22          HH22      ARG  22  94.444  -4.506   9.043
  209    H    GLY  23           HN       GLY  23  97.406  -3.053  18.272
  210    HA2  GLY  23           HA2      GLY  23  97.328  -4.603  20.066
  211    HA3  GLY  23           HA1      GLY  23  96.419  -5.697  19.029
  212    H    VAL  24           HN       VAL  24  99.345  -4.260  17.826
  213    HA   VAL  24           HA       VAL  24 100.591  -6.926  17.843
  214    HB   VAL  24           HB       VAL  24 101.433  -4.470  16.311
  215   HG11  VAL  24          HG11      VAL  24 102.373  -6.415  14.825
  216   HG12  VAL  24          HG12      VAL  24 102.240  -7.369  16.300
  217   HG13  VAL  24          HG13      VAL  24 103.257  -5.928  16.271
  218   HG21  VAL  24          HG21      VAL  24  99.127  -6.136  15.935
  219   HG22  VAL  24          HG22      VAL  24 100.266  -6.473  14.631
  220   HG23  VAL  24          HG23      VAL  24  99.702  -4.828  14.903
  221    H    LYS  25           HN       LYS  25 103.060  -6.863  18.022
  222    HA   LYS  25           HA       LYS  25 103.806  -5.016  20.199
  223    HB2  LYS  25           HB2      LYS  25 104.676  -7.861  19.653
  224    HB3  LYS  25           HB1      LYS  25 105.437  -6.821  20.857
  225    HG2  LYS  25           HG2      LYS  25 103.295  -6.569  22.023
  226    HG3  LYS  25           HG1      LYS  25 102.495  -7.558  20.801
  227    HD2  LYS  25           HD2      LYS  25 103.973  -9.459  21.392
  228    HD3  LYS  25           HD1      LYS  25 104.726  -8.469  22.642
  229    HE2  LYS  25           HE2      LYS  25 102.570  -8.233  23.787
  230    HE3  LYS  25           HE1      LYS  25 101.779  -9.171  22.520
  231    HZ1  LYS  25           HZ1      LYS  25 102.204 -10.721  24.169
  232    HZ2  LYS  25           HZ2      LYS  25 103.729 -10.073  24.543
  233    HZ3  LYS  25           HZ3      LYS  25 103.504 -10.946  23.103
  234    H    VAL  26           HN       VAL  26 105.885  -4.111  20.190
  235    HA   VAL  26           HA       VAL  26 107.230  -4.177  17.556
  236    HB   VAL  26           HB       VAL  26 108.062  -1.929  18.104
  237   HG11  VAL  26          HG11      VAL  26 105.267  -2.675  17.776
  238   HG12  VAL  26          HG12      VAL  26 106.163  -1.353  17.030
  239   HG13  VAL  26          HG13      VAL  26 105.426  -1.132  18.616
  240   HG21  VAL  26          HG21      VAL  26 107.053  -2.705  20.740
  241   HG22  VAL  26          HG22      VAL  26 106.460  -1.122  20.242
  242   HG23  VAL  26          HG23      VAL  26 108.195  -1.431  20.312
  243    H    LYS  27           HN       LYS  27 108.538  -5.969  18.057
  244    HA   LYS  27           HA       LYS  27 110.550  -5.536  20.179
  245    HB2  LYS  27           HB2      LYS  27 110.979  -8.000  19.937
  246    HB3  LYS  27           HB1      LYS  27 109.366  -7.596  20.528
  247    HG2  LYS  27           HG2      LYS  27 108.380  -7.982  18.383
  248    HG3  LYS  27           HG1      LYS  27 109.959  -8.076  17.601
  249    HD2  LYS  27           HD2      LYS  27 110.488 -10.114  18.854
  250    HD3  LYS  27           HD1      LYS  27 108.936 -10.017  19.695
  251    HE2  LYS  27           HE2      LYS  27 107.752 -10.242  17.545
  252    HE3  LYS  27           HE1      LYS  27 109.297 -10.320  16.697
  253    HZ1  LYS  27           HZ1      LYS  27 108.256 -12.251  18.696
  254    HZ2  LYS  27           HZ2      LYS  27 109.838 -12.286  18.074
  255    HZ3  LYS  27           HZ3      LYS  27 108.509 -12.529  17.042
  256    H    TYR  28           HN       TYR  28 112.751  -6.335  19.687
  257    HA   TYR  28           HA       TYR  28 113.739  -5.181  17.294
  258    HB2  TYR  28           HB2      TYR  28 114.991  -6.989  19.358
  259    HB3  TYR  28           HB1      TYR  28 115.886  -6.356  17.975
  260    HD1  TYR  28           HD1      TYR  28 114.267  -5.532  21.165
  261    HD2  TYR  28           HD2      TYR  28 116.295  -3.942  17.728
  262    HE1  TYR  28           HE1      TYR  28 114.605  -3.385  22.358
  263    HE2  TYR  28           HE2      TYR  28 116.633  -1.795  18.921
  264    HH   TYR  28           HH       TYR  28 116.768  -1.166  21.566
  265    H    ALA  29           HN       ALA  29 113.001  -8.498  18.249
  266    HA   ALA  29           HA       ALA  29 114.183  -9.865  16.118
  267    HB1  ALA  29           HB1      ALA  29 113.251 -11.681  17.051
  268    HB2  ALA  29           HB2      ALA  29 111.626 -11.004  16.969
  269    HB3  ALA  29           HB3      ALA  29 112.693 -10.584  18.312
  270    H    ASP  30           HN       ASP  30 111.309  -7.943  16.235
  271    HA   ASP  30           HA       ASP  30 110.093  -9.003  13.851
  272    HB2  ASP  30           HB2      ASP  30 109.607  -6.614  15.593
  273    HB3  ASP  30           HB1      ASP  30 108.880  -6.666  13.995
  274    H    LEU  31           HN       LEU  31 112.241  -6.290  14.565
  275    HA   LEU  31           HA       LEU  31 112.147  -5.105  11.977
  276    HB2  LEU  31           HB2      LEU  31 114.138  -5.085  14.243
  277    HB3  LEU  31           HB1      LEU  31 114.519  -4.300  12.715
  278    HG   LEU  31           HG       LEU  31 111.943  -3.378  13.332
  279   HD11  LEU  31          HD11      LEU  31 112.329  -4.369  15.620
  280   HD12  LEU  31          HD12      LEU  31 112.073  -2.622  15.637
  281   HD13  LEU  31          HD13      LEU  31 113.701  -3.277  15.803
  282   HD21  LEU  31          HD21      LEU  31 114.683  -2.167  13.795
  283   HD22  LEU  31          HD22      LEU  31 113.176  -1.253  13.823
  284   HD23  LEU  31          HD23      LEU  31 113.703  -2.037  12.336
  285    H    LEU  32           HN       LEU  32 114.247  -7.622  13.366
  286    HA   LEU  32           HA       LEU  32 116.118  -7.842  11.350
  287    HB2  LEU  32           HB2      LEU  32 114.766 -10.169  12.705
  288    HB3  LEU  32           HB1      LEU  32 116.386 -10.139  12.009
  289    HG   LEU  32           HG       LEU  32 115.462  -8.395  14.327
  290   HD11  LEU  32          HD11      LEU  32 115.749 -10.944  14.689
  291   HD12  LEU  32          HD12      LEU  32 116.605  -9.852  15.778
  292   HD13  LEU  32          HD13      LEU  32 117.471 -10.640  14.459
  293   HD21  LEU  32          HD21      LEU  32 117.205  -7.196  13.336
  294   HD22  LEU  32          HD22      LEU  32 118.011  -8.648  12.746
  295   HD23  LEU  32          HD23      LEU  32 118.097  -8.227  14.454
  296    H    LYS  33           HN       LYS  33 113.060  -9.669  11.512
  297    HA   LYS  33           HA       LYS  33 113.323 -10.694   8.847
  298    HB2  LYS  33           HB2      LYS  33 112.093 -11.863  10.670
  299    HB3  LYS  33           HB1      LYS  33 110.852 -10.612  10.573
  300    HG2  LYS  33           HG2      LYS  33 110.405 -11.174   8.240
  301    HG3  LYS  33           HG1      LYS  33 111.718 -12.353   8.242
  302    HD2  LYS  33           HD2      LYS  33 110.545 -13.638  10.007
  303    HD3  LYS  33           HD1      LYS  33 109.221 -12.476   9.960
  304    HE2  LYS  33           HE2      LYS  33 110.147 -14.068   7.555
  305    HE3  LYS  33           HE1      LYS  33 108.804 -14.548   8.591
  306    HZ1  LYS  33           HZ1      LYS  33 107.745 -12.413   8.100
  307    HZ2  LYS  33           HZ2      LYS  33 107.993 -13.335   6.695
  308    HZ3  LYS  33           HZ3      LYS  33 109.014 -12.022   7.046
  309    H    PHE  34           HN       PHE  34 111.086  -8.316  10.312
  310    HA   PHE  34           HA       PHE  34 109.704  -7.651   7.970
  311    HB2  PHE  34           HB2      PHE  34 109.243  -7.033  10.441
  312    HB3  PHE  34           HB1      PHE  34 110.292  -5.650  10.129
  313    HD1  PHE  34           HD1      PHE  34 109.309  -3.695   9.321
  314    HD2  PHE  34           HD2      PHE  34 107.435  -7.476   8.521
  315    HE1  PHE  34           HE1      PHE  34 107.430  -2.532   8.201
  316    HE2  PHE  34           HE2      PHE  34 105.563  -6.306   7.390
  317    HZ   PHE  34           HZ       PHE  34 105.564  -3.831   7.227
  318    H    PHE  35           HN       PHE  35 112.673  -6.284   9.310
  319    HA   PHE  35           HA       PHE  35 112.892  -4.111   7.446
  320    HB2  PHE  35           HB2      PHE  35 114.046  -4.342   9.711
  321    HB3  PHE  35           HB1      PHE  35 115.197  -5.418   8.913
  322    HD1  PHE  35           HD1      PHE  35 116.240  -4.443   6.645
  323    HD2  PHE  35           HD2      PHE  35 114.375  -2.075   9.712
  324    HE1  PHE  35           HE1      PHE  35 117.376  -2.425   5.772
  325    HE2  PHE  35           HE2      PHE  35 115.520  -0.054   8.833
  326    HZ   PHE  35           HZ       PHE  35 117.019  -0.229   6.866
  327    H    ASP  36           HN       ASP  36 114.335  -7.361   7.720
  328    HA   ASP  36           HA       ASP  36 115.831  -7.207   5.274
  329    HB2  ASP  36           HB2      ASP  36 115.062  -9.571   6.998
  330    HB3  ASP  36           HB1      ASP  36 116.065  -9.702   5.554
  331    H    PHE  37           HN       PHE  37 112.568  -7.957   6.027
  332    HA   PHE  37           HA       PHE  37 111.906  -9.629   3.841
  333    HB2  PHE  37           HB2      PHE  37 110.473  -9.278   5.861
  334    HB3  PHE  37           HB1      PHE  37 110.105  -7.659   5.273
  335    HD1  PHE  37           HD1      PHE  37 108.483  -7.321   3.554
  336    HD2  PHE  37           HD2      PHE  37 109.886 -11.276   4.469
  337    HE1  PHE  37           HE1      PHE  37 106.712  -8.285   2.113
  338    HE2  PHE  37           HE2      PHE  37 108.117 -12.239   3.023
  339    HZ   PHE  37           HZ       PHE  37 106.529 -10.743   1.843
  340    H    VAL  38           HN       VAL  38 111.293  -6.130   4.305
  341    HA   VAL  38           HA       VAL  38 110.531  -5.765   1.561
  342    HB   VAL  38           HB       VAL  38 110.908  -3.275   2.195
  343   HG11  VAL  38          HG11      VAL  38 108.768  -3.250   3.427
  344   HG12  VAL  38          HG12      VAL  38 108.930  -4.984   3.743
  345   HG13  VAL  38          HG13      VAL  38 108.698  -4.409   2.091
  346   HG21  VAL  38          HG21      VAL  38 110.773  -4.350   4.984
  347   HG22  VAL  38          HG22      VAL  38 111.309  -2.768   4.431
  348   HG23  VAL  38          HG23      VAL  38 112.343  -4.177   4.208
  349    H    LYS  39           HN       LYS  39 113.520  -5.252   3.378
  350    HA   LYS  39           HA       LYS  39 115.008  -3.815   1.500
  351    HB2  LYS  39           HB2      LYS  39 115.745  -4.389   3.816
  352    HB3  LYS  39           HB1      LYS  39 116.031  -6.041   3.274
  353    HG2  LYS  39           HG2      LYS  39 117.653  -5.222   1.604
  354    HG3  LYS  39           HG1      LYS  39 117.366  -3.567   2.141
  355    HD2  LYS  39           HD2      LYS  39 118.149  -4.167   4.406
  356    HD3  LYS  39           HD1      LYS  39 118.454  -5.817   3.855
  357    HE2  LYS  39           HE2      LYS  39 120.085  -5.007   2.221
  358    HE3  LYS  39           HE1      LYS  39 119.755  -3.338   2.686
  359    HZ1  LYS  39           HZ1      LYS  39 121.612  -5.034   3.803
  360    HZ2  LYS  39           HZ2      LYS  39 120.368  -4.928   4.956
  361    HZ3  LYS  39           HZ3      LYS  39 121.134  -3.518   4.394
  362    H    ASP  40           HN       ASP  40 114.266  -7.265   1.633
  363    HA   ASP  40           HA       ASP  40 116.049  -8.411  -0.061
  364    HB2  ASP  40           HB2      ASP  40 113.048  -8.762  -0.002
  365    HB3  ASP  40           HB1      ASP  40 114.130  -9.817  -0.909
  366    H    THR  41           HN       THR  41 112.990  -6.987  -1.270
  367    HA   THR  41           HA       THR  41 114.377  -6.417  -3.821
  368    HB   THR  41           HB       THR  41 111.996  -6.443  -4.760
  369    HG1  THR  41           HG1      THR  41 111.645  -7.389  -2.144
  370   HG21  THR  41          HG21      THR  41 113.683  -8.240  -5.095
  371   HG22  THR  41          HG22      THR  41 112.042  -8.876  -4.999
  372   HG23  THR  41          HG23      THR  41 113.122  -9.012  -3.612
  373    H    CYS  42           HN       CYS  42 113.406  -4.931  -1.097
  374    HA   CYS  42           HA       CYS  42 112.514  -2.852  -0.546
  375    HB2  CYS  42           HB2      CYS  42 113.822  -1.026  -1.669
  376    HB3  CYS  42           HB1      CYS  42 114.814  -2.305  -0.966
  377    HG   CYS  42           HG       CYS  42 114.135  -2.332  -4.016
  378    HA   PRO  43           HA       PRO  43 109.713  -2.678  -4.285
  379    HB2  PRO  43           HB2      PRO  43 107.537  -3.422  -2.476
  380    HB3  PRO  43           HB1      PRO  43 108.075  -4.221  -3.962
  381    HG2  PRO  43           HG2      PRO  43 108.399  -5.275  -1.510
  382    HG3  PRO  43           HG1      PRO  43 109.497  -5.602  -2.855
  383    HD2  PRO  43           HD2      PRO  43 109.860  -3.731  -0.528
  384    HD3  PRO  43           HD1      PRO  43 111.038  -4.796  -1.317
  385    H    TRP  44           HN       TRP  44 109.829  -1.327  -1.150
  386    HA   TRP  44           HA       TRP  44 107.635   0.482  -1.339
  387    HB2  TRP  44           HB2      TRP  44 109.754  -0.133   0.537
  388    HB3  TRP  44           HB1      TRP  44 109.524   1.608   0.390
  389    HD1  TRP  44           HD1      TRP  44 107.472   2.638   1.515
  390    HE1  TRP  44           HE1      TRP  44 105.430   1.696   2.776
  391    HE3  TRP  44           HE3      TRP  44 108.073  -2.346   0.573
  392    HZ2  TRP  44           HZ2      TRP  44 104.216  -0.832   3.310
  393    HZ3  TRP  44           HZ3      TRP  44 106.460  -3.999   1.471
  394    HH2  TRP  44           HH2      TRP  44 104.534  -3.251   2.839
  395    H    PHE  45           HN       PHE  45 109.656   0.396  -3.587
  396    HA   PHE  45           HA       PHE  45 110.685   1.836  -5.009
  397    HB2  PHE  45           HB2      PHE  45 108.406   3.308  -3.886
  398    HB3  PHE  45           HB1      PHE  45 109.660   4.306  -4.625
  399    HD1  PHE  45           HD1      PHE  45 106.734   2.524  -5.306
  400    HD2  PHE  45           HD2      PHE  45 110.653   3.240  -6.911
  401    HE1  PHE  45           HE1      PHE  45 105.930   1.873  -7.555
  402    HE2  PHE  45           HE2      PHE  45 109.848   2.587  -9.164
  403    HZ   PHE  45           HZ       PHE  45 107.487   1.902  -9.487
  404    HA   PRO  46           HA       PRO  46 113.580   3.413  -1.810
  405    HB2  PRO  46           HB2      PRO  46 115.878   2.712  -3.112
  406    HB3  PRO  46           HB1      PRO  46 114.958   1.602  -2.082
  407    HG2  PRO  46           HG2      PRO  46 115.072   1.785  -5.032
  408    HG3  PRO  46           HG1      PRO  46 114.898   0.374  -3.980
  409    HD2  PRO  46           HD2      PRO  46 112.817   1.551  -5.357
  410    HD3  PRO  46           HD1      PRO  46 112.622   0.548  -3.914
  411    H    GLN  47           HN       GLN  47 112.884   4.295  -4.988
  412    HA   GLN  47           HA       GLN  47 114.968   6.298  -5.262
  413    HB2  GLN  47           HB2      GLN  47 112.444   5.845  -6.872
  414    HB3  GLN  47           HB1      GLN  47 113.799   6.874  -7.337
  415    HG2  GLN  47           HG2      GLN  47 113.989   3.886  -6.837
  416    HG3  GLN  47           HG1      GLN  47 113.910   4.637  -8.429
  417   HE21  GLN  47          HE21      GLN  47 116.154   3.135  -6.806
  418   HE22  GLN  47          HE22      GLN  47 117.501   4.146  -7.019
  419    H    GLU  48           HN       GLU  48 111.421   6.394  -5.049
  420    HA   GLU  48           HA       GLU  48 111.526   9.207  -4.188
  421    HB2  GLU  48           HB2      GLU  48 108.955   8.895  -4.298
  422    HB3  GLU  48           HB1      GLU  48 109.852   8.960  -5.804
  423    HG2  GLU  48           HG2      GLU  48 109.894   6.457  -5.838
  424    HG3  GLU  48           HG1      GLU  48 108.912   6.460  -4.376
  425    H    GLY  49           HN       GLY  49 111.241   6.065  -2.873
  426    HA2  GLY  49           HA2      GLY  49 110.944   5.312  -0.717
  427    HA3  GLY  49           HA1      GLY  49 111.210   6.972  -0.189
  428    H    THR  50           HN       THR  50 108.738   4.852  -1.632
  429    HA   THR  50           HA       THR  50 106.709   6.034   0.105
  430    HB   THR  50           HB       THR  50 106.812   7.363  -2.073
  431    HG1  THR  50           HG1      THR  50 104.515   5.999  -1.157
  432   HG21  THR  50          HG21      THR  50 105.445   4.901  -3.194
  433   HG22  THR  50          HG22      THR  50 107.163   5.238  -3.447
  434   HG23  THR  50          HG23      THR  50 105.942   6.360  -4.052
  435    H    ILE  51           HN       ILE  51 104.566   4.882  -0.221
  436    HA   ILE  51           HA       ILE  51 105.092   2.018  -0.324
  437    HB   ILE  51           HB       ILE  51 102.387   3.220   0.144
  438   HG12  ILE  51          HG12      ILE  51 104.745   3.211   2.030
  439   HG13  ILE  51          HG11      ILE  51 103.739   4.587   1.565
  440   HG21  ILE  51          HG21      ILE  51 102.013   1.253   1.381
  441   HG22  ILE  51          HG22      ILE  51 103.733   0.965   1.613
  442   HG23  ILE  51          HG23      ILE  51 103.001   0.695   0.033
  443   HD11  ILE  51          HD11      ILE  51 102.870   4.053   3.653
  444   HD12  ILE  51          HD12      ILE  51 103.103   2.320   3.421
  445   HD13  ILE  51          HD13      ILE  51 101.798   3.160   2.580
  446    H    ASP  52           HN       ASP  52 103.910   0.558  -1.692
  447    HA   ASP  52           HA       ASP  52 102.413   1.768  -3.906
  448    HB2  ASP  52           HB2      ASP  52 104.730   1.518  -4.672
  449    HB3  ASP  52           HB1      ASP  52 104.698  -0.170  -4.189
  450    H    ILE  53           HN       ILE  53 100.569   0.748  -4.081
  451    HA   ILE  53           HA       ILE  53  99.968  -1.686  -2.697
  452    HB   ILE  53           HB       ILE  53  98.317  -0.337  -4.846
  453   HG12  ILE  53          HG12      ILE  53  98.913   1.287  -3.114
  454   HG13  ILE  53          HG11      ILE  53  97.227   0.832  -2.895
  455   HG21  ILE  53          HG21      ILE  53  97.591  -2.615  -4.258
  456   HG22  ILE  53          HG22      ILE  53  96.445  -1.442  -3.610
  457   HG23  ILE  53          HG23      ILE  53  97.628  -2.201  -2.544
  458   HD11  ILE  53          HD11      ILE  53  98.241  -0.988  -1.249
  459   HD12  ILE  53          HD12      ILE  53  98.062   0.675  -0.699
  460   HD13  ILE  53          HD13      ILE  53  99.636   0.090  -1.241
  461    H    LYS  54           HN       LYS  54 100.557  -0.882  -6.094
  462    HA   LYS  54           HA       LYS  54  99.894  -3.407  -7.179
  463    HB2  LYS  54           HB2      LYS  54 101.834  -1.296  -8.155
  464    HB3  LYS  54           HB1      LYS  54 101.304  -2.682  -9.104
  465    HG2  LYS  54           HG2      LYS  54  98.948  -1.933  -8.851
  466    HG3  LYS  54           HG1      LYS  54  99.513  -0.515  -7.967
  467    HD2  LYS  54           HD2      LYS  54 100.848   0.174  -9.938
  468    HD3  LYS  54           HD1      LYS  54 100.247  -1.230 -10.822
  469    HE2  LYS  54           HE2      LYS  54  97.948  -0.415 -10.618
  470    HE3  LYS  54           HE1      LYS  54  98.500   0.963  -9.666
  471    HZ1  LYS  54           HZ1      LYS  54 100.032   0.928 -11.971
  472    HZ2  LYS  54           HZ2      LYS  54  98.813   2.039 -11.559
  473    HZ3  LYS  54           HZ3      LYS  54  98.435   0.659 -12.474
  474    H    ARG  55           HN       ARG  55 103.110  -2.063  -6.389
  475    HA   ARG  55           HA       ARG  55 104.502  -4.482  -6.910
  476    HB2  ARG  55           HB2      ARG  55 105.252  -2.004  -5.358
  477    HB3  ARG  55           HB1      ARG  55 106.348  -3.361  -5.559
  478    HG2  ARG  55           HG2      ARG  55 106.234  -3.144  -7.979
  479    HG3  ARG  55           HG1      ARG  55 105.027  -1.863  -7.838
  480    HD2  ARG  55           HD2      ARG  55 106.661  -0.470  -6.616
  481    HD3  ARG  55           HD1      ARG  55 107.866  -1.743  -6.777
  482    HE   ARG  55           HE       ARG  55 106.951   0.063  -8.872
  483   HH11  ARG  55          HH11      ARG  55 108.137  -0.056 -10.805
  484   HH12  ARG  55          HH12      ARG  55 109.239  -1.367 -11.060
  485   HH21  ARG  55          HH21      ARG  55 108.587  -2.858  -7.998
  486   HH22  ARG  55          HH22      ARG  55 109.494  -2.953  -9.469
  487    H    TRP  56           HN       TRP  56 103.009  -3.115  -4.023
  488    HA   TRP  56           HA       TRP  56 104.118  -4.779  -2.105
  489    HB2  TRP  56           HB2      TRP  56 102.805  -2.971  -1.336
  490    HB3  TRP  56           HB1      TRP  56 101.401  -3.496  -2.266
  491    HD1  TRP  56           HD1      TRP  56  99.649  -4.517  -0.775
  492    HE1  TRP  56           HE1      TRP  56  99.631  -5.983   1.344
  493    HE3  TRP  56           HE3      TRP  56 104.673  -4.975   0.034
  494    HZ2  TRP  56           HZ2      TRP  56 101.500  -7.194   3.142
  495    HZ3  TRP  56           HZ3      TRP  56 105.525  -6.286   1.943
  496    HH2  TRP  56           HH2      TRP  56 103.952  -7.399   3.496
  497    H    ARG  57           HN       ARG  57 101.473  -5.342  -4.322
  498    HA   ARG  57           HA       ARG  57 100.632  -7.826  -3.206
  499    HB2  ARG  57           HB2      ARG  57  99.189  -6.488  -4.707
  500    HB3  ARG  57           HB1      ARG  57 100.299  -6.810  -6.041
  501    HG2  ARG  57           HG2      ARG  57  99.892  -9.230  -5.807
  502    HG3  ARG  57           HG1      ARG  57  98.804  -8.920  -4.453
  503    HD2  ARG  57           HD2      ARG  57  97.413  -7.502  -5.988
  504    HD3  ARG  57           HD1      ARG  57  98.443  -8.020  -7.320
  505    HE   ARG  57           HE       ARG  57  97.379 -10.244  -5.849
  506   HH11  ARG  57          HH11      ARG  57  95.795 -11.485  -6.903
  507   HH12  ARG  57          HH12      ARG  57  94.988 -10.848  -8.297
  508   HH21  ARG  57          HH21      ARG  57  96.720  -7.843  -8.251
  509   HH22  ARG  57          HH22      ARG  57  95.513  -8.785  -9.061
  510    H    ARG  58           HN       ARG  58 102.928  -6.907  -5.745
  511    HA   ARG  58           HA       ARG  58 103.499  -9.489  -6.712
  512    HB2  ARG  58           HB2      ARG  58 104.825  -6.845  -6.768
  513    HB3  ARG  58           HB1      ARG  58 105.868  -8.241  -7.044
  514    HG2  ARG  58           HG2      ARG  58 104.393  -9.028  -8.830
  515    HG3  ARG  58           HG1      ARG  58 103.285  -7.688  -8.530
  516    HD2  ARG  58           HD2      ARG  58 106.193  -7.299  -9.272
  517    HD3  ARG  58           HD1      ARG  58 104.894  -7.334 -10.459
  518    HE   ARG  58           HE       ARG  58 105.450  -5.200  -8.556
  519   HH11  ARG  58          HH11      ARG  58 104.190  -3.329  -8.855
  520   HH12  ARG  58          HH12      ARG  58 102.809  -3.379  -9.898
  521   HH21  ARG  58          HH21      ARG  58 103.222  -6.720 -10.727
  522   HH22  ARG  58          HH22      ARG  58 102.260  -5.298 -10.958
  523    H    VAL  59           HN       VAL  59 105.168  -7.604  -4.185
  524    HA   VAL  59           HA       VAL  59 107.057  -9.643  -3.522
  525    HB   VAL  59           HB       VAL  59 107.522  -7.353  -2.898
  526   HG11  VAL  59          HG11      VAL  59 105.133  -7.484  -1.045
  527   HG12  VAL  59          HG12      VAL  59 105.088  -6.745  -2.642
  528   HG13  VAL  59          HG13      VAL  59 106.145  -6.084  -1.404
  529   HG21  VAL  59          HG21      VAL  59 108.478  -7.869  -0.899
  530   HG22  VAL  59          HG22      VAL  59 107.840  -9.484  -1.218
  531   HG23  VAL  59          HG23      VAL  59 106.942  -8.368  -0.184
  532    H    GLY  60           HN       GLY  60 103.914  -8.718  -2.165
  533    HA2  GLY  60           HA2      GLY  60 103.881 -10.493   0.019
  534    HA3  GLY  60           HA1      GLY  60 102.452  -9.841  -0.775
  535    H    ASP  61           HN       ASP  61 102.577 -10.901  -3.278
  536    HA   ASP  61           HA       ASP  61 101.708 -13.584  -2.846
  537    HB2  ASP  61           HB2      ASP  61 100.726 -12.157  -4.591
  538    HB3  ASP  61           HB1      ASP  61 102.274 -12.122  -5.433
  539    H    CYS  62           HN       CYS  62 104.622 -12.130  -4.187
  540    HA   CYS  62           HA       CYS  62 105.825 -14.416  -5.274
  541    HB2  CYS  62           HB2      CYS  62 106.899 -11.862  -4.128
  542    HB3  CYS  62           HB1      CYS  62 108.006 -13.139  -4.623
  543    HG   CYS  62           HG       CYS  62 106.172 -11.515  -6.530
  544    H    PHE  63           HN       PHE  63 105.946 -13.129  -1.962
  545    HA   PHE  63           HA       PHE  63 107.671 -15.232  -1.017
  546    HB2  PHE  63           HB2      PHE  63 106.270 -12.894   0.178
  547    HB3  PHE  63           HB1      PHE  63 106.703 -14.224   1.256
  548    HD1  PHE  63           HD1      PHE  63 108.086 -11.848  -1.267
  549    HD2  PHE  63           HD2      PHE  63 108.943 -14.598   1.919
  550    HE1  PHE  63           HE1      PHE  63 110.445 -11.082  -1.241
  551    HE2  PHE  63           HE2      PHE  63 111.303 -13.831   1.946
  552    HZ   PHE  63           HZ       PHE  63 112.052 -12.075   0.365
  553    H    GLN  64           HN       GLN  64 104.210 -14.595  -1.079
  554    HA   GLN  64           HA       GLN  64 103.407 -16.617   0.710
  555    HB2  GLN  64           HB2      GLN  64 101.921 -14.802  -0.091
  556    HB3  GLN  64           HB1      GLN  64 101.903 -15.561  -1.682
  557    HG2  GLN  64           HG2      GLN  64 100.848 -17.544  -0.812
  558    HG3  GLN  64           HG1      GLN  64 101.039 -16.979   0.847
  559   HE21  GLN  64          HE21      GLN  64  98.468 -17.625  -0.408
  560   HE22  GLN  64          HE22      GLN  64  97.562 -16.190  -0.440
  561    H    ASP  65           HN       ASP  65 103.737 -16.662  -2.827
  562    HA   ASP  65           HA       ASP  65 102.915 -19.323  -3.211
  563    HB2  ASP  65           HB2      ASP  65 103.078 -17.841  -5.083
  564    HB3  ASP  65           HB1      ASP  65 104.785 -17.543  -4.762
  565    H    TYR  66           HN       TYR  66 106.208 -17.954  -2.882
  566    HA   TYR  66           HA       TYR  66 107.576 -20.417  -3.018
  567    HB2  TYR  66           HB2      TYR  66 108.208 -17.663  -2.150
  568    HB3  TYR  66           HB1      TYR  66 109.217 -18.933  -1.458
  569    HD1  TYR  66           HD1      TYR  66 109.987 -20.796  -3.198
  570    HD2  TYR  66           HD2      TYR  66 108.831 -16.789  -4.231
  571    HE1  TYR  66           HE1      TYR  66 111.254 -20.977  -5.322
  572    HE2  TYR  66           HE2      TYR  66 110.099 -16.972  -6.355
  573    HH   TYR  66           HH       TYR  66 111.416 -20.000  -7.454
  574    H    TYR  67           HN       TYR  67 106.365 -18.576  -0.236
  575    HA   TYR  67           HA       TYR  67 107.365 -20.289   1.770
  576    HB2  TYR  67           HB2      TYR  67 106.503 -18.007   2.202
  577    HB3  TYR  67           HB1      TYR  67 104.876 -18.571   1.847
  578    HD1  TYR  67           HD1      TYR  67 103.551 -19.340   3.611
  579    HD2  TYR  67           HD2      TYR  67 107.829 -19.447   3.984
  580    HE1  TYR  67           HE1      TYR  67 103.328 -20.148   5.943
  581    HE2  TYR  67           HE2      TYR  67 107.605 -20.251   6.320
  582    HH   TYR  67           HH       TYR  67 104.597 -21.319   7.614
  583    H    ASN  68           HN       ASN  68 104.382 -20.334  -0.120
  584    HA   ASN  68           HA       ASN  68 103.001 -22.304   1.341
  585    HB2  ASN  68           HB2      ASN  68 102.884 -21.414  -1.534
  586    HB3  ASN  68           HB1      ASN  68 101.848 -22.701  -0.917
  587   HD21  ASN  68          HD21      ASN  68 100.729 -20.236  -1.836
  588   HD22  ASN  68          HD22      ASN  68 100.079 -19.415  -0.501
  589    H    THR  69           HN       THR  69 105.333 -22.566  -1.319
  590    HA   THR  69           HA       THR  69 105.074 -25.248  -1.984
  591    HB   THR  69           HB       THR  69 107.420 -25.171  -2.702
  592    HG1  THR  69           HG1      THR  69 108.539 -24.154  -1.185
  593   HG21  THR  69          HG21      THR  69 107.199 -22.640  -3.689
  594   HG22  THR  69          HG22      THR  69 105.526 -22.961  -3.239
  595   HG23  THR  69          HG23      THR  69 106.355 -24.035  -4.363
  596    H    PHE  70           HN       PHE  70 106.476 -23.836   0.882
  597    HA   PHE  70           HA       PHE  70 107.721 -26.293   1.712
  598    HB2  PHE  70           HB2      PHE  70 107.190 -23.669   3.111
  599    HB3  PHE  70           HB1      PHE  70 107.983 -25.031   3.901
  600    HD1  PHE  70           HD1      PHE  70 108.291 -22.427   1.327
  601    HD2  PHE  70           HD2      PHE  70 110.193 -25.806   3.174
  602    HE1  PHE  70           HE1      PHE  70 110.446 -21.786   0.279
  603    HE2  PHE  70           HE2      PHE  70 112.348 -25.166   2.127
  604    HZ   PHE  70           HZ       PHE  70 112.474 -23.155   0.679
  605    H    GLY  71           HN       GLY  71 104.657 -25.846   1.239
  606    HA2  GLY  71           HA2      GLY  71 102.656 -26.427   2.252
  607    HA3  GLY  71           HA1      GLY  71 103.580 -27.853   2.714
  608    HA   PRO  72           HA       PRO  72 104.002 -25.066   6.543
  609    HB2  PRO  72           HB2      PRO  72 103.201 -22.470   6.437
  610    HB3  PRO  72           HB1      PRO  72 104.808 -23.005   5.912
  611    HG2  PRO  72           HG2      PRO  72 102.444 -22.261   4.293
  612    HG3  PRO  72           HG1      PRO  72 104.165 -22.054   3.955
  613    HD2  PRO  72           HD2      PRO  72 102.567 -24.052   2.870
  614    HD3  PRO  72           HD1      PRO  72 104.337 -24.056   2.932
  615    H    GLU  73           HN       GLU  73 102.576 -25.465   8.149
  616    HA   GLU  73           HA       GLU  73  99.725 -25.436   7.555
  617    HB2  GLU  73           HB2      GLU  73 101.379 -26.455   9.855
  618    HB3  GLU  73           HB1      GLU  73  99.620 -26.407   9.912
  619    HG2  GLU  73           HG2      GLU  73  99.491 -27.793   7.890
  620    HG3  GLU  73           HG1      GLU  73 101.248 -27.798   7.763
  621    H    LYS  74           HN       LYS  74 102.060 -23.763   9.541
  622    HA   LYS  74           HA       LYS  74 100.293 -22.399  11.245
  623    HB2  LYS  74           HB2      LYS  74 102.865 -21.188  10.245
  624    HB3  LYS  74           HB1      LYS  74 102.112 -21.023  11.834
  625    HG2  LYS  74           HG2      LYS  74 103.429 -23.497  10.673
  626    HG3  LYS  74           HG1      LYS  74 103.969 -22.570  12.073
  627    HD2  LYS  74           HD2      LYS  74 101.654 -23.124  13.084
  628    HD3  LYS  74           HD1      LYS  74 101.544 -24.343  11.809
  629    HE2  LYS  74           HE2      LYS  74 103.665 -25.340  12.575
  630    HE3  LYS  74           HE1      LYS  74 103.769 -24.134  13.858
  631    HZ1  LYS  74           HZ1      LYS  74 102.700 -26.466  14.287
  632    HZ2  LYS  74           HZ2      LYS  74 101.319 -25.726  13.630
  633    HZ3  LYS  74           HZ3      LYS  74 102.062 -25.073  15.012
  634    H    VAL  75           HN       VAL  75 101.693 -21.426   8.104
  635    HA   VAL  75           HA       VAL  75 101.294 -19.462   6.882
  636    HB   VAL  75           HB       VAL  75  98.646 -20.879   7.094
  637   HG11  VAL  75          HG11      VAL  75  99.492 -18.419   5.675
  638   HG12  VAL  75          HG12      VAL  75  97.879 -18.936   6.166
  639   HG13  VAL  75          HG13      VAL  75  98.613 -19.598   4.704
  640   HG21  VAL  75          HG21      VAL  75 100.888 -21.886   6.126
  641   HG22  VAL  75          HG22      VAL  75 100.537 -20.832   4.756
  642   HG23  VAL  75          HG23      VAL  75  99.384 -22.088   5.222
  643    HA   PRO  76           HA       PRO  76  99.789 -16.932  10.475
  644    HB2  PRO  76           HB2      PRO  76 101.629 -15.003   9.142
  645    HB3  PRO  76           HB1      PRO  76 101.495 -15.427  10.859
  646    HG2  PRO  76           HG2      PRO  76 103.528 -16.292   9.383
  647    HG3  PRO  76           HG1      PRO  76 102.794 -17.315  10.631
  648    HD2  PRO  76           HD2      PRO  76 102.481 -17.441   7.660
  649    HD3  PRO  76           HD1      PRO  76 102.554 -18.772   8.841
  650    H    VAL  77           HN       VAL  77  97.922 -15.913  10.256
  651    HA   VAL  77           HA       VAL  77  97.054 -14.947   7.658
  652    HB   VAL  77           HB       VAL  77  95.637 -14.982  10.336
  653   HG11  VAL  77          HG11      VAL  77  93.669 -14.793   8.498
  654   HG12  VAL  77          HG12      VAL  77  94.928 -13.889   7.660
  655   HG13  VAL  77          HG13      VAL  77  94.396 -13.381   9.263
  656   HG21  VAL  77          HG21      VAL  77  96.248 -17.102   8.576
  657   HG22  VAL  77          HG22      VAL  77  94.592 -16.655   8.160
  658   HG23  VAL  77          HG23      VAL  77  94.985 -17.120   9.813
  659    H    THR  78           HN       THR  78  98.495 -13.633  10.470
  660    HA   THR  78           HA       THR  78  97.558 -11.101  10.768
  661    HB   THR  78           HB       THR  78  99.818 -10.427  11.394
  662    HG1  THR  78           HG1      THR  78 101.203 -11.178   9.973
  663   HG21  THR  78          HG21      THR  78  99.341 -13.345  12.072
  664   HG22  THR  78          HG22      THR  78  98.586 -11.983  12.900
  665   HG23  THR  78          HG23      THR  78 100.331 -12.212  12.991
  666    H    ALA  79           HN       ALA  79  99.137 -12.395   7.969
  667    HA   ALA  79           HA       ALA  79 100.077 -10.088   6.718
  668    HB1  ALA  79           HB1      ALA  79  98.893 -11.819   4.768
  669    HB2  ALA  79           HB2      ALA  79  99.649 -12.802   6.022
  670    HB3  ALA  79           HB3      ALA  79 100.601 -11.594   5.151
  671    H    PHE  80           HN       PHE  80  96.856 -11.150   7.292
  672    HA   PHE  80           HA       PHE  80  95.538  -9.707   5.219
  673    HB2  PHE  80           HB2      PHE  80  94.536 -11.631   6.497
  674    HB3  PHE  80           HB1      PHE  80  94.369 -10.553   7.881
  675    HD1  PHE  80           HD1      PHE  80  93.646 -10.571   4.196
  676    HD2  PHE  80           HD2      PHE  80  92.341  -9.419   8.125
  677    HE1  PHE  80           HE1      PHE  80  91.542  -9.679   3.236
  678    HE2  PHE  80           HE2      PHE  80  90.236  -8.529   7.164
  679    HZ   PHE  80           HZ       PHE  80  89.836  -8.658   4.719
  680    H    SER  81           HN       SER  81  96.397  -8.972   8.584
  681    HA   SER  81           HA       SER  81  94.994  -6.531   8.779
  682    HB2  SER  81           HB2      SER  81  97.534  -7.368  10.185
  683    HB3  SER  81           HB1      SER  81  96.444  -6.081  10.687
  684    HG   SER  81           HG       SER  81  94.920  -8.150  10.358
  685    H    TYR  82           HN       TYR  82  98.290  -7.306   7.720
  686    HA   TYR  82           HA       TYR  82  99.264  -4.692   7.467
  687    HB2  TYR  82           HB2      TYR  82  99.902  -7.287   6.114
  688    HB3  TYR  82           HB1      TYR  82 100.661  -5.798   5.561
  689    HD1  TYR  82           HD1      TYR  82 102.410  -4.784   6.759
  690    HD2  TYR  82           HD2      TYR  82 100.126  -7.940   8.570
  691    HE1  TYR  82           HE1      TYR  82 104.025  -4.883   8.642
  692    HE2  TYR  82           HE2      TYR  82 101.738  -8.032  10.453
  693    HH   TYR  82           HH       TYR  82 104.771  -6.558  10.343
  694    H    TRP  83           HN       TRP  83  97.606  -6.748   5.066
  695    HA   TRP  83           HA       TRP  83  97.701  -4.967   2.913
  696    HB2  TRP  83           HB2      TRP  83  96.954  -7.225   2.571
  697    HB3  TRP  83           HB1      TRP  83  95.606  -7.005   3.685
  698    HD1  TRP  83           HD1      TRP  83  93.454  -5.854   2.797
  699    HE1  TRP  83           HE1      TRP  83  92.693  -5.045   0.470
  700    HE3  TRP  83           HE3      TRP  83  97.883  -6.144   0.272
  701    HZ2  TRP  83           HZ2      TRP  83  93.815  -4.583  -2.120
  702    HZ3  TRP  83           HZ3      TRP  83  98.008  -5.514  -2.121
  703    HH2  TRP  83           HH2      TRP  83  95.982  -4.735  -3.320
  704    H    ASN  84           HN       ASN  84  95.199  -5.323   5.427
  705    HA   ASN  84           HA       ASN  84  93.551  -3.211   4.484
  706    HB2  ASN  84           HB2      ASN  84  93.782  -4.628   7.130
  707    HB3  ASN  84           HB1      ASN  84  92.645  -3.306   6.879
  708   HD21  ASN  84          HD21      ASN  84  91.682  -5.920   7.436
  709   HD22  ASN  84          HD22      ASN  84  90.924  -6.530   6.044
  710    H    LEU  85           HN       LEU  85  96.176  -3.310   6.890
  711    HA   LEU  85           HA       LEU  85  95.804  -0.681   7.856
  712    HB2  LEU  85           HB2      LEU  85  97.061  -2.418   9.074
  713    HB3  LEU  85           HB1      LEU  85  98.286  -2.410   7.808
  714    HG   LEU  85           HG       LEU  85  98.708  -0.006   8.252
  715   HD11  LEU  85          HD11      LEU  85  97.721   0.631  10.661
  716   HD12  LEU  85          HD12      LEU  85  96.435  -0.450  10.139
  717   HD13  LEU  85          HD13      LEU  85  96.836   0.970   9.176
  718   HD21  LEU  85          HD21      LEU  85 100.302  -0.794   9.631
  719   HD22  LEU  85          HD22      LEU  85  99.343  -2.242   9.923
  720   HD23  LEU  85          HD23      LEU  85  99.138  -0.827  10.956
  721    H    ILE  86           HN       ILE  86  98.467  -1.944   5.841
  722    HA   ILE  86           HA       ILE  86  99.521   0.496   5.095
  723    HB   ILE  86           HB       ILE  86  99.661  -2.266   4.096
  724   HG12  ILE  86          HG12      ILE  86 101.831  -0.163   4.129
  725   HG13  ILE  86          HG11      ILE  86 101.263  -0.891   5.636
  726   HG21  ILE  86          HG21      ILE  86 100.206   0.089   2.271
  727   HG22  ILE  86          HG22      ILE  86  99.159  -1.293   1.943
  728   HG23  ILE  86          HG23      ILE  86 100.908  -1.500   2.021
  729   HD11  ILE  86          HD11      ILE  86 103.160  -2.157   4.855
  730   HD12  ILE  86          HD12      ILE  86 102.437  -2.331   3.253
  731   HD13  ILE  86          HD13      ILE  86 101.719  -3.147   4.641
  732    H    LYS  87           HN       LYS  87  96.765  -1.221   3.855
  733    HA   LYS  87           HA       LYS  87  96.394   0.119   1.418
  734    HB2  LYS  87           HB2      LYS  87  95.018  -1.727   1.620
  735    HB3  LYS  87           HB1      LYS  87  94.584  -1.352   3.289
  736    HG2  LYS  87           HG2      LYS  87  93.099   0.391   2.637
  737    HG3  LYS  87           HG1      LYS  87  93.730   0.412   0.982
  738    HD2  LYS  87           HD2      LYS  87  92.850  -1.894   0.660
  739    HD3  LYS  87           HD1      LYS  87  92.176  -1.838   2.290
  740    HE2  LYS  87           HE2      LYS  87  90.775   0.069   1.688
  741    HE3  LYS  87           HE1      LYS  87  91.495   0.121   0.079
  742    HZ1  LYS  87           HZ1      LYS  87  90.407  -2.443   0.867
  743    HZ2  LYS  87           HZ2      LYS  87  90.289  -1.618  -0.614
  744    HZ3  LYS  87           HZ3      LYS  87  89.259  -1.209   0.674
  745    H    GLU  88           HN       GLU  88  95.294   0.974   4.721
  746    HA   GLU  88           HA       GLU  88  93.947   3.311   3.707
  747    HB2  GLU  88           HB2      GLU  88  92.977   3.394   5.768
  748    HB3  GLU  88           HB1      GLU  88  93.453   1.703   5.757
  749    HG2  GLU  88           HG2      GLU  88  94.230   2.432   7.841
  750    HG3  GLU  88           HG1      GLU  88  95.672   2.547   6.848
  751    H    LEU  89           HN       LEU  89  97.096   2.460   4.815
  752    HA   LEU  89           HA       LEU  89  97.854   4.853   6.047
  753    HB2  LEU  89           HB2      LEU  89  99.047   2.533   5.727
  754    HB3  LEU  89           HB1      LEU  89  99.788   3.342   4.357
  755    HG   LEU  89           HG       LEU  89 101.227   3.612   6.288
  756   HD11  LEU  89          HD11      LEU  89 100.719   5.575   4.693
  757   HD12  LEU  89          HD12      LEU  89 101.548   5.924   6.206
  758   HD13  LEU  89          HD13      LEU  89  99.825   6.251   6.055
  759   HD21  LEU  89          HD21      LEU  89  99.360   5.252   7.865
  760   HD22  LEU  89          HD22      LEU  89 100.495   4.014   8.401
  761   HD23  LEU  89          HD23      LEU  89  98.915   3.548   7.778
  762    H    ILE  90           HN       ILE  90  98.099   3.822   2.660
  763    HA   ILE  90           HA       ILE  90  99.354   6.188   1.763
  764    HB   ILE  90           HB       ILE  90  97.621   4.213   0.250
  765   HG12  ILE  90          HG12      ILE  90 100.598   4.560   0.713
  766   HG13  ILE  90          HG11      ILE  90  99.598   3.185   1.151
  767   HG21  ILE  90          HG21      ILE  90  97.683   6.402  -0.929
  768   HG22  ILE  90          HG22      ILE  90  98.680   5.252  -1.788
  769   HG23  ILE  90          HG23      ILE  90  99.435   6.465  -0.750
  770   HD11  ILE  90          HD11      ILE  90 100.694   3.955  -1.507
  771   HD12  ILE  90          HD12      ILE  90  99.085   3.235  -1.484
  772   HD13  ILE  90          HD13      ILE  90 100.453   2.354  -0.819
  773    H    ASP  91           HN       ASP  91  95.935   5.252   1.972
  774    HA   ASP  91           HA       ASP  91  94.626   7.165   0.575
  775    HB2  ASP  91           HB2      ASP  91  93.981   6.143   3.344
  776    HB3  ASP  91           HB1      ASP  91  92.874   7.127   2.397
  777    H    LYS  92           HN       LYS  92  96.584   7.693   3.389
  778    HA   LYS  92           HA       LYS  92  95.551  10.217   4.170
  779    HB2  LYS  92           HB2      LYS  92  98.282   8.962   4.486
  780    HB3  LYS  92           HB1      LYS  92  97.844  10.517   5.195
  781    HG2  LYS  92           HG2      LYS  92  95.955   9.417   6.379
  782    HG3  LYS  92           HG1      LYS  92  96.465   7.866   5.711
  783    HD2  LYS  92           HD2      LYS  92  98.648   8.093   6.825
  784    HD3  LYS  92           HD1      LYS  92  98.158   9.650   7.484
  785    HE2  LYS  92           HE2      LYS  92  96.317   8.571   8.705
  786    HE3  LYS  92           HE1      LYS  92  96.777   7.009   8.031
  787    HZ1  LYS  92           HZ1      LYS  92  98.908   8.473   9.333
  788    HZ2  LYS  92           HZ2      LYS  92  98.514   6.823   9.412
  789    HZ3  LYS  92           HZ3      LYS  92  97.668   7.947  10.364
  790    H    LYS  93           HN       LYS  93  95.802  12.192   3.329
  791    HA   LYS  93           HA       LYS  93  97.388  12.466   0.879
  792    HB2  LYS  93           HB2      LYS  93  95.398  14.366   2.148
  793    HB3  LYS  93           HB1      LYS  93  96.134  14.548   0.558
  794    HG2  LYS  93           HG2      LYS  93  94.585  12.055   1.248
  795    HG3  LYS  93           HG1      LYS  93  93.751  13.508   0.704
  796    HD2  LYS  93           HD2      LYS  93  95.126  13.531  -1.349
  797    HD3  LYS  93           HD1      LYS  93  95.951  12.069  -0.815
  798    HE2  LYS  93           HE2      LYS  93  93.835  10.839  -0.822
  799    HE3  LYS  93           HE1      LYS  93  92.973  12.301  -1.308
  800    HZ1  LYS  93           HZ1      LYS  93  94.092  12.341  -3.361
  801    HZ2  LYS  93           HZ2      LYS  93  93.593  10.731  -3.147
  802    HZ3  LYS  93           HZ3      LYS  93  95.212  11.165  -2.875
  803    H    GLU  94           HN       GLU  94  97.691  13.040   4.162
  804    HA   GLU  94           HA       GLU  94  99.438  15.371   3.835
  805    HB2  GLU  94           HB2      GLU  94  98.362  13.935   6.265
  806    HB3  GLU  94           HB1      GLU  94  99.542  15.243   6.357
  807    HG2  GLU  94           HG2      GLU  94  98.005  16.773   5.256
  808    HG3  GLU  94           HG1      GLU  94  96.843  15.473   4.997
  809    H    VAL  95           HN       VAL  95 100.060  12.586   2.883
  810    HA   VAL  95           HA       VAL  95 102.002  11.382   4.524
  811    HB   VAL  95           HB       VAL  95 101.741  11.373   1.501
  812   HG11  VAL  95          HG11      VAL  95 103.032   9.141   1.908
  813   HG12  VAL  95          HG12      VAL  95 103.525   9.894   3.426
  814   HG13  VAL  95          HG13      VAL  95 103.945  10.654   1.890
  815   HG21  VAL  95          HG21      VAL  95 100.272   9.643   1.756
  816   HG22  VAL  95          HG22      VAL  95  99.985  10.400   3.322
  817   HG23  VAL  95          HG23      VAL  95 101.086   9.028   3.195
  818    H    ASN  96           HN       ASN  96 104.237  11.529   4.578
  819    HA   ASN  96           HA       ASN  96 105.472  13.926   4.696
  820    HB2  ASN  96           HB2      ASN  96 106.358  11.178   4.421
  821    HB3  ASN  96           HB1      ASN  96 107.474  12.288   3.631
  822   HD21  ASN  96          HD21      ASN  96 105.475  12.525   6.627
  823   HD22  ASN  96          HD22      ASN  96 106.768  12.987   7.624
  824    HA   PRO  97           HA       PRO  97 106.207  16.010   0.894
  825    HB2  PRO  97           HB2      PRO  97 109.094  15.290   1.107
  826    HB3  PRO  97           HB1      PRO  97 108.341  16.871   0.825
  827    HG2  PRO  97           HG2      PRO  97 109.346  16.112   3.214
  828    HG3  PRO  97           HG1      PRO  97 108.007  17.256   3.035
  829    HD2  PRO  97           HD2      PRO  97 107.962  14.516   4.091
  830    HD3  PRO  97           HD1      PRO  97 106.735  15.793   4.222
  831    H    GLN  98           HN       GLN  98 107.390  12.753   1.332
  832    HA   GLN  98           HA       GLN  98 108.308  12.006  -1.126
  833    HB2  GLN  98           HB2      GLN  98 108.165   9.995  -0.146
  834    HB3  GLN  98           HB1      GLN  98 107.257  10.738   1.167
  835    HG2  GLN  98           HG2      GLN  98 105.160  10.430  -0.218
  836    HG3  GLN  98           HG1      GLN  98 106.136   9.499  -1.360
  837   HE21  GLN  98          HE21      GLN  98 103.933   8.342   0.016
  838   HE22  GLN  98          HE22      GLN  98 104.522   7.183   1.106
  839    H    VAL  99           HN       VAL  99 105.226  13.295  -0.423
  840    HA   VAL  99           HA       VAL  99 103.629  12.049  -2.363
  841    HB   VAL  99           HB       VAL  99 103.562  14.856  -1.244
  842   HG11  VAL  99          HG11      VAL  99 101.029  14.359  -2.084
  843   HG12  VAL  99          HG12      VAL  99 101.943  13.525  -3.340
  844   HG13  VAL  99          HG13      VAL  99 102.214  15.242  -3.046
  845   HG21  VAL  99          HG21      VAL  99 101.822  12.436  -0.687
  846   HG22  VAL  99          HG22      VAL  99 101.820  13.970   0.183
  847   HG23  VAL  99          HG23      VAL  99 103.212  12.892   0.299
  848    H    MET 100           HN       MET 100 105.677  14.946  -2.614
  849    HA   MET 100           HA       MET 100 105.066  15.517  -5.316
  850    HB2  MET 100           HB2      MET 100 106.129  17.136  -3.787
  851    HB3  MET 100           HB1      MET 100 107.584  16.141  -3.757
  852    HG2  MET 100           HG2      MET 100 107.919  16.464  -6.140
  853    HG3  MET 100           HG1      MET 100 106.384  17.324  -6.276
  854    HE1  MET 100           HE1      MET 100 109.122  17.822  -3.235
  855    HE2  MET 100           HE2      MET 100 110.275  18.613  -4.306
  856    HE3  MET 100           HE3      MET 100 109.692  16.997  -4.693
  857    H    ALA 101           HN       ALA 101 107.578  13.558  -3.790
  858    HA   ALA 101           HA       ALA 101 108.848  12.877  -6.292
  859    HB1  ALA 101           HB1      ALA 101 109.223  12.198  -3.398
  860    HB2  ALA 101           HB2      ALA 101 110.409  12.765  -4.576
  861    HB3  ALA 101           HB3      ALA 101 109.890  11.077  -4.594
  862    H    ALA 102           HN       ALA 102 106.212  11.764  -4.496
  863    HA   ALA 102           HA       ALA 102 106.225   9.014  -5.324
  864    HB1  ALA 102           HB1      ALA 102 105.019   9.649  -3.317
  865    HB2  ALA 102           HB2      ALA 102 103.884   8.985  -4.494
  866    HB3  ALA 102           HB3      ALA 102 103.977  10.727  -4.246
  867    H    VAL 103           HN       VAL 103 104.502  11.908  -6.415
  868    HA   VAL 103           HA       VAL 103 102.950  10.749  -8.430
  869    HB   VAL 103           HB       VAL 103 104.174  13.505  -8.203
  870   HG11  VAL 103          HG11      VAL 103 102.296  12.346 -10.278
  871   HG12  VAL 103          HG12      VAL 103 103.807  13.215 -10.552
  872   HG13  VAL 103          HG13      VAL 103 102.391  14.076  -9.954
  873   HG21  VAL 103          HG21      VAL 103 102.347  13.989  -6.961
  874   HG22  VAL 103          HG22      VAL 103 102.028  12.256  -6.896
  875   HG23  VAL 103          HG23      VAL 103 101.272  13.243  -8.143
  876    H    ALA 104           HN       ALA 104 106.281  11.947  -8.510
  877    HA   ALA 104           HA       ALA 104 106.827  11.834 -11.213
  878    HB1  ALA 104           HB1      ALA 104 109.020  11.990 -10.609
  879    HB2  ALA 104           HB2      ALA 104 108.895  10.687  -9.429
  880    HB3  ALA 104           HB3      ALA 104 108.321  12.303  -9.020
  881    H    GLN 105           HN       GLN 105 106.873   9.167  -8.859
  882    HA   GLN 105           HA       GLN 105 106.903   6.886  -9.128
  883    HB2  GLN 105           HB2      GLN 105 105.613   7.657 -11.761
  884    HB3  GLN 105           HB1      GLN 105 105.708   6.009 -11.145
  885    HG2  GLN 105           HG2      GLN 105 104.426   8.303  -9.643
  886    HG3  GLN 105           HG1      GLN 105 103.531   7.151 -10.627
  887   HE21  GLN 105          HE21      GLN 105 103.768   7.678  -7.536
  888   HE22  GLN 105          HE22      GLN 105 103.995   6.117  -6.909
  889    H    THR 106           HN       THR 106 107.169   7.187 -12.568
  890    HA   THR 106           HA       THR 106 110.034   6.459 -12.420
  891    HB   THR 106           HB       THR 106 109.660   5.027 -14.406
  892    HG1  THR 106           HG1      THR 106 107.676   4.773 -15.212
  893   HG21  THR 106          HG21      THR 106 109.659   3.888 -12.318
  894   HG22  THR 106          HG22      THR 106 108.232   3.298 -13.169
  895   HG23  THR 106          HG23      THR 106 108.062   4.507 -11.897
  896    H    GLU 107           HN       GLU 107 108.205   8.951 -13.107
  897    HA   GLU 107           HA       GLU 107 109.867   9.770 -15.404
  898    HB2  GLU 107           HB2      GLU 107 106.887  10.215 -15.110
  899    HB3  GLU 107           HB1      GLU 107 107.902  10.932 -16.363
  900    HG2  GLU 107           HG2      GLU 107 108.509   8.719 -17.201
  901    HG3  GLU 107           HG1      GLU 107 107.594   7.949 -15.906
  902    H    GLU 108           HN       GLU 108 110.522  11.900 -15.377
  903    HA   GLU 108           HA       GLU 108 110.573  13.228 -12.867
  904    HB2  GLU 108           HB2      GLU 108 111.286  14.154 -15.658
  905    HB3  GLU 108           HB1      GLU 108 111.574  15.113 -14.206
  906    HG2  GLU 108           HG2      GLU 108 113.001  13.365 -13.283
  907    HG3  GLU 108           HG1      GLU 108 112.644  12.311 -14.651
  908    H    ILE 109           HN       ILE 109 109.102  14.518 -11.971
  909    HA   ILE 109           HA       ILE 109 106.582  15.009 -13.028
  910    HB   ILE 109           HB       ILE 109 106.395  16.763 -11.252
  911   HG12  ILE 109          HG12      ILE 109 109.309  16.127 -10.675
  912   HG13  ILE 109          HG11      ILE 109 108.794  17.568 -11.545
  913   HG21  ILE 109          HG21      ILE 109 105.965  14.554 -10.468
  914   HG22  ILE 109          HG22      ILE 109 107.129  15.207  -9.321
  915   HG23  ILE 109          HG23      ILE 109 107.667  14.099 -10.578
  916   HD11  ILE 109          HD11      ILE 109 109.016  17.314  -8.781
  917   HD12  ILE 109          HD12      ILE 109 107.282  17.209  -9.087
  918   HD13  ILE 109          HD13      ILE 109 108.192  18.611  -9.646
  919    H    LEU 110           HN       LEU 110 109.565  16.783 -13.441
  920    HA   LEU 110           HA       LEU 110 108.492  19.194 -14.448
  921    HB2  LEU 110           HB2      LEU 110 111.137  17.905 -15.161
  922    HB3  LEU 110           HB1      LEU 110 110.721  19.611 -15.320
  923    HG   LEU 110           HG       LEU 110 110.786  18.067 -12.709
  924   HD11  LEU 110          HD11      LEU 110 113.032  18.346 -13.091
  925   HD12  LEU 110          HD12      LEU 110 112.685  19.945 -12.432
  926   HD13  LEU 110          HD13      LEU 110 112.787  19.713 -14.178
  927   HD21  LEU 110          HD21      LEU 110 110.827  20.663 -11.994
  928   HD22  LEU 110          HD22      LEU 110 109.319  19.773 -12.205
  929   HD23  LEU 110          HD23      LEU 110 109.917  20.813 -13.497
  930    H    LYS 111           HN       LYS 111 109.357  16.135 -15.967
  931    HA   LYS 111           HA       LYS 111 108.823  17.073 -18.637
  932    HB2  LYS 111           HB2      LYS 111 110.374  15.118 -17.856
  933    HB3  LYS 111           HB1      LYS 111 108.889  14.167 -17.877
  934    HG2  LYS 111           HG2      LYS 111 108.514  14.730 -20.226
  935    HG3  LYS 111           HG1      LYS 111 109.918  15.796 -20.227
  936    HD2  LYS 111           HD2      LYS 111 111.378  13.871 -19.719
  937    HD3  LYS 111           HD1      LYS 111 109.972  12.806 -19.739
  938    HE2  LYS 111           HE2      LYS 111 109.531  13.425 -22.086
  939    HE3  LYS 111           HE1      LYS 111 110.939  14.487 -22.069
  940    HZ1  LYS 111           HZ1      LYS 111 112.377  12.743 -22.047
  941    HZ2  LYS 111           HZ2      LYS 111 111.103  12.030 -22.917
  942    HZ3  LYS 111           HZ3      LYS 111 111.296  11.696 -21.263
  943    H    SER 112           HN       SER 112 106.719  17.069 -16.380
  944    HA   SER 112           HA       SER 112 104.684  15.244 -17.015
  945    HB2  SER 112           HB2      SER 112 104.453  16.439 -14.989
  946    HB3  SER 112           HB1      SER 112 104.663  17.995 -15.788
  947    HG   SER 112           HG       SER 112 102.532  16.232 -16.399
  948    H    ASN 113           HN       ASN 113 105.289  18.526 -18.213
  949    HA   ASN 113           HA       ASN 113 103.027  18.665 -19.912
  950    HB2  ASN 113           HB2      ASN 113 105.683  20.071 -20.264
  951    HB3  ASN 113           HB1      ASN 113 104.131  20.561 -20.940
  952   HD21  ASN 113          HD21      ASN 113 102.869  19.630 -18.243
  953   HD22  ASN 113          HD22      ASN 113 103.161  20.944 -17.210
  954    H    SER 114           HN       SER 114 104.509  19.497 -22.325
  955    HA   SER 114           HA       SER 114 104.359  17.091 -23.785
  956    HB2  SER 114           HB2      SER 114 104.129  19.314 -24.829
  957    HB3  SER 114           HB1      SER 114 105.826  19.648 -24.493
  958    HG   SER 114           HG       SER 114 106.033  17.462 -25.678
  959    H    GLN 115           HN       GLN 115 107.148  18.893 -22.514
  960    HA   GLN 115           HA       GLN 115 108.713  16.420 -22.530
  961    HB2  GLN 115           HB2      GLN 115 109.556  18.942 -23.973
  962    HB3  GLN 115           HB1      GLN 115 110.652  17.621 -23.588
  963    HG2  GLN 115           HG2      GLN 115 109.220  16.062 -24.878
  964    HG3  GLN 115           HG1      GLN 115 108.157  17.402 -25.296
  965   HE21  GLN 115          HE21      GLN 115 110.876  15.667 -26.355
  966   HE22  GLN 115          HE22      GLN 115 111.435  16.783 -27.505
  967    H    THR 116           HN       THR 116 111.180  17.571 -21.911
  968    HA   THR 116           HA       THR 116 110.859  18.106 -19.132
  969    HB   THR 116           HB       THR 116 113.328  18.544 -19.213
  970    HG1  THR 116           HG1      THR 116 114.205  18.924 -21.067
  971   HG21  THR 116          HG21      THR 116 113.901  16.223 -20.053
  972   HG22  THR 116          HG22      THR 116 112.219  16.071 -20.557
  973   HG23  THR 116          HG23      THR 116 112.613  16.280 -18.851
  974    H    ASP 117           HN       ASP 117 112.081  20.051 -18.157
  975    HA   ASP 117           HA       ASP 117 110.698  22.412 -18.926
  976    HB2  ASP 117           HB2      ASP 117 112.952  21.876 -16.989
  977    HB3  ASP 117           HB1      ASP 117 112.286  23.489 -17.236
  978    H    LEU 118           HN       LEU 118 113.280  20.930 -20.350
  979    HA   LEU 118           HA       LEU 118 114.785  23.321 -21.038
  980    HB2  LEU 118           HB2      LEU 118 115.018  20.487 -22.083
  981    HB3  LEU 118           HB1      LEU 118 116.179  21.788 -22.346
  982    HG   LEU 118           HG       LEU 118 115.392  20.667 -19.637
  983   HD11  LEU 118          HD11      LEU 118 117.336  19.823 -21.620
  984   HD12  LEU 118          HD12      LEU 118 116.888  19.052 -20.097
  985   HD13  LEU 118          HD13      LEU 118 118.133  20.301 -20.121
  986   HD21  LEU 118          HD21      LEU 118 116.085  22.793 -19.080
  987   HD22  LEU 118          HD22      LEU 118 117.060  22.975 -20.538
  988   HD23  LEU 118          HD23      LEU 118 117.668  22.020 -19.187
  989    H    GLU 119           HN       GLU 119 111.866  22.258 -21.951
  990    HA   GLU 119           HA       GLU 119 111.919  22.186 -24.761
  991    HB2  GLU 119           HB2      GLU 119 109.981  21.526 -23.298
  992    HB3  GLU 119           HB1      GLU 119 109.668  23.241 -23.038
  993    HG2  GLU 119           HG2      GLU 119 108.245  22.519 -24.847
  994    HG3  GLU 119           HG1      GLU 119 109.522  23.508 -25.550
  995    H    HIS 120           HN       HIS 120 111.485  24.891 -22.499
  996    HA   HIS 120           HA       HIS 120 110.986  26.900 -24.405
  997    HB2  HIS 120           HB2      HIS 120 112.212  27.005 -21.645
  998    HB3  HIS 120           HB1      HIS 120 111.856  28.447 -22.596
  999    HD1  HIS 120           HD1      HIS 120 110.053  25.355 -21.282
 1000    HD2  HIS 120           HD2      HIS 120 109.228  29.296 -22.363
 1001    HE1  HIS 120           HE1      HIS 120 107.619  25.761 -20.707
 1002    HE2  HIS 120           HE2      HIS 120 107.100  28.160 -21.361
 1003    H    HIS 121           HN       HIS 121 114.004  25.647 -23.047
 1004    HA   HIS 121           HA       HIS 121 115.652  27.526 -24.494
 1005    HB2  HIS 121           HB2      HIS 121 116.360  26.583 -22.319
 1006    HB3  HIS 121           HB1      HIS 121 116.418  24.978 -23.048
 1007    HD1  HIS 121           HD1      HIS 121 117.899  28.431 -23.753
 1008    HD2  HIS 121           HD2      HIS 121 118.910  24.400 -24.076
 1009    HE1  HIS 121           HE1      HIS 121 120.283  28.357 -24.606
 1010    HE2  HIS 121           HE2      HIS 121 120.914  25.905 -24.808
 1011    H    HIS 122           HN       HIS 122 117.335  26.789 -26.017
 1012    HA   HIS 122           HA       HIS 122 116.335  24.619 -27.768
 1013    HB2  HIS 122           HB2      HIS 122 117.554  27.296 -28.399
 1014    HB3  HIS 122           HB1      HIS 122 117.629  25.970 -29.560
 1015    HD1  HIS 122           HD1      HIS 122 115.073  27.978 -27.590
 1016    HD2  HIS 122           HD2      HIS 122 115.263  25.545 -30.970
 1017    HE1  HIS 122           HE1      HIS 122 112.802  28.119 -28.702
 1018    HE2  HIS 122           HE2      HIS 122 112.902  26.642 -30.764
 1019    H    HIS 123           HN       HIS 123 117.792  23.154 -28.575
 1020    HA   HIS 123           HA       HIS 123 120.483  23.219 -27.358
 1021    HB2  HIS 123           HB2      HIS 123 118.863  20.887 -28.407
 1022    HB3  HIS 123           HB1      HIS 123 120.486  20.772 -27.726
 1023    HD1  HIS 123           HD1      HIS 123 120.689  21.719 -25.162
 1024    HD2  HIS 123           HD2      HIS 123 116.856  20.775 -26.502
 1025    HE1  HIS 123           HE1      HIS 123 119.241  21.504 -23.096
 1026    HE2  HIS 123           HE2      HIS 123 116.900  20.929 -23.896
 1027    H    HIS 124           HN       HIS 124 122.294  22.952 -28.614
 1028    HA   HIS 124           HA       HIS 124 121.872  23.173 -31.529
 1029    HB2  HIS 124           HB2      HIS 124 124.233  23.973 -29.809
 1030    HB3  HIS 124           HB1      HIS 124 124.165  24.128 -31.565
 1031    HD1  HIS 124           HD1      HIS 124 124.502  26.725 -30.141
 1032    HD2  HIS 124           HD2      HIS 124 120.728  25.075 -30.781
 1033    HE1  HIS 124           HE1      HIS 124 122.848  28.637 -29.988
 1034    HE2  HIS 124           HE2      HIS 124 120.543  27.647 -30.377
 1035    H    HIS 125           HN       HIS 125 122.313  21.441 -32.713
 1036    HA   HIS 125           HA       HIS 125 123.858  19.247 -31.554
 1037    HB2  HIS 125           HB2      HIS 125 122.265  19.460 -34.118
 1038    HB3  HIS 125           HB1      HIS 125 123.101  18.005 -33.577
 1039    HD1  HIS 125           HD1      HIS 125 122.401  17.409 -30.891
 1040    HD2  HIS 125           HD2      HIS 125 119.646  19.448 -33.264
 1041    HE1  HIS 125           HE1      HIS 125 120.140  17.099 -29.792
 1042    HE2  HIS 125           HE2      HIS 125 118.450  18.336 -31.228
  Start of MODEL   10
    1    H21  MYR   1          1H2       MYR   1 116.812   8.909  -0.693
    2    H22  MYR   1          2H2       MYR   1 116.325   9.620   0.687
    3    H31  MYR   1          1H3       MYR   1 114.589  10.747  -0.488
    4    H32  MYR   1          2H3       MYR   1 115.072  10.065  -1.885
    5    H41  MYR   1          1H4       MYR   1 114.047   8.177  -1.449
    6    H42  MYR   1          2H4       MYR   1 114.522   8.173   0.107
    7    H51  MYR   1          1H5       MYR   1 112.640  10.138  -0.208
    8    H52  MYR   1          2H5       MYR   1 112.031   8.753  -0.814
    9    H61  MYR   1          1H6       MYR   1 112.820   7.743   1.346
   10    H62  MYR   1          2H6       MYR   1 112.843   9.280   1.885
   11    H71  MYR   1          1H7       MYR   1 110.578   9.489   1.720
   12    H72  MYR   1          2H7       MYR   1 110.445   8.150   0.800
   13    H81  MYR   1          1H8       MYR   1 111.441   7.419   3.234
   14    H82  MYR   1          2H8       MYR   1 110.106   8.319   3.478
   15    H91  MYR   1          1H9       MYR   1 108.961   6.760   1.938
   16    H92  MYR   1          2H9       MYR   1 110.255   5.787   2.122
   17   H101  MYR   1          1H10      MYR   1 109.574   6.297   4.628
   18   H102  MYR   1          2H10      MYR   1 108.126   6.186   3.893
   19   H111  MYR   1          1H11      MYR   1 109.497   4.035   3.024
   20   H112  MYR   1          2H11      MYR   1 109.815   4.110   4.618
   21   H121  MYR   1          1H12      MYR   1 107.816   3.378   5.129
   22   H122  MYR   1          2H12      MYR   1 107.101   4.479   4.166
   23   H131  MYR   1          1H13      MYR   1 107.625   2.999   2.278
   24   H132  MYR   1          2H13      MYR   1 108.024   1.864   3.375
   25   H141  MYR   1          1H14      MYR   1 105.889   1.301   3.035
   26   H142  MYR   1          2H14      MYR   1 105.693   2.354   4.271
   27   H143  MYR   1          3H14      MYR   1 105.431   2.845   2.735
   28    H    GLY   2           HN       GLY   2 118.737   9.551  -0.218
   29    HA2  GLY   2           HA2      GLY   2 120.260  11.170   0.573
   30    HA3  GLY   2           HA1      GLY   2 119.012  12.399   0.400
   31    H    GLN   3           HN       GLN   3 119.631  13.089   2.554
   32    HA   GLN   3           HA       GLN   3 119.656  11.660   4.888
   33    HB2  GLN   3           HB2      GLN   3 118.450  14.398   4.423
   34    HB3  GLN   3           HB1      GLN   3 118.833  13.728   6.009
   35    HG2  GLN   3           HG2      GLN   3 120.852  14.070   3.775
   36    HG3  GLN   3           HG1      GLN   3 120.634  15.218   5.095
   37   HE21  GLN   3          HE21      GLN   3 122.686  12.833   4.209
   38   HE22  GLN   3          HE22      GLN   3 123.087  12.194   5.729
   39    H    GLU   4           HN       GLU   4 116.972  12.205   2.820
   40    HA   GLU   4           HA       GLU   4 114.741  12.123   4.379
   41    HB2  GLU   4           HB2      GLU   4 115.238  10.463   1.899
   42    HB3  GLU   4           HB1      GLU   4 113.656  10.821   2.584
   43    HG2  GLU   4           HG2      GLU   4 115.636  12.913   1.641
   44    HG3  GLU   4           HG1      GLU   4 114.248  12.354   0.710
   45    H    LEU   5           HN       LEU   5 117.169   9.702   4.128
   46    HA   LEU   5           HA       LEU   5 115.964   7.335   4.721
   47    HB2  LEU   5           HB2      LEU   5 118.451   7.737   4.541
   48    HB3  LEU   5           HB1      LEU   5 118.407   8.360   6.189
   49    HG   LEU   5           HG       LEU   5 117.423   6.184   6.944
   50   HD11  LEU   5          HD11      LEU   5 117.474   5.723   4.025
   51   HD12  LEU   5          HD12      LEU   5 116.477   4.974   5.270
   52   HD13  LEU   5          HD13      LEU   5 118.113   4.388   4.986
   53   HD21  LEU   5          HD21      LEU   5 119.530   4.899   6.731
   54   HD22  LEU   5          HD22      LEU   5 119.837   6.589   7.133
   55   HD23  LEU   5          HD23      LEU   5 120.074   6.017   5.480
   56    H    SER   6           HN       SER   6 116.347  10.094   6.854
   57    HA   SER   6           HA       SER   6 115.742   8.923   9.318
   58    HB2  SER   6           HB2      SER   6 115.119  11.676   8.236
   59    HB3  SER   6           HB1      SER   6 114.857  11.209   9.914
   60    HG   SER   6           HG       SER   6 117.330  10.934   8.549
   61    H    GLN   7           HN       GLN   7 113.640   9.945   6.679
   62    HA   GLN   7           HA       GLN   7 111.159   9.879   7.930
   63    HB2  GLN   7           HB2      GLN   7 111.894   9.003   5.124
   64    HB3  GLN   7           HB1      GLN   7 110.250   9.315   5.682
   65    HG2  GLN   7           HG2      GLN   7 112.497  11.346   5.764
   66    HG3  GLN   7           HG1      GLN   7 111.271  11.271   4.499
   67   HE21  GLN   7          HE21      GLN   7 111.980  12.908   7.296
   68   HE22  GLN   7          HE22      GLN   7 110.407  13.293   7.803
   69    H    HIS   8           HN       HIS   8 113.010   7.187   6.474
   70    HA   HIS   8           HA       HIS   8 111.116   5.167   6.867
   71    HB2  HIS   8           HB2      HIS   8 114.132   5.149   6.768
   72    HB3  HIS   8           HB1      HIS   8 113.193   3.668   6.946
   73    HD1  HIS   8           HD1      HIS   8 111.796   2.878   4.922
   74    HD2  HIS   8           HD2      HIS   8 113.870   6.425   4.216
   75    HE1  HIS   8           HE1      HIS   8 111.651   3.310   2.430
   76    HE2  HIS   8           HE2      HIS   8 112.912   5.469   1.984
   77    H    GLU   9           HN       GLU   9 113.777   6.258   8.966
   78    HA   GLU   9           HA       GLU   9 113.543   4.481  11.067
   79    HB2  GLU   9           HB2      GLU   9 115.225   6.315  10.937
   80    HB3  GLU   9           HB1      GLU   9 113.958   7.469  11.351
   81    HG2  GLU   9           HG2      GLU   9 113.575   6.314  13.483
   82    HG3  GLU   9           HG1      GLU   9 114.802   5.119  13.066
   83    H    ARG  10           HN       ARG  10 111.456   7.182  10.258
   84    HA   ARG  10           HA       ARG  10 109.890   6.980  12.697
   85    HB2  ARG  10           HB2      ARG  10 109.169   8.440  10.150
   86    HB3  ARG  10           HB1      ARG  10 108.512   8.705  11.762
   87    HG2  ARG  10           HG2      ARG  10 110.776   9.339  12.576
   88    HG3  ARG  10           HG1      ARG  10 111.392   9.161  10.933
   89    HD2  ARG  10           HD2      ARG  10 109.801  10.884  10.157
   90    HD3  ARG  10           HD1      ARG  10 109.220  11.081  11.807
   91    HE   ARG  10           HE       ARG  10 111.738  12.056  10.726
   92   HH11  ARG  10          HH11      ARG  10 112.919  13.389  12.137
   93   HH12  ARG  10          HH12      ARG  10 112.482  13.472  13.811
   94   HH21  ARG  10          HH21      ARG  10 109.845  11.241  13.507
   95   HH22  ARG  10          HH22      ARG  10 110.742  12.255  14.586
   96    H    TYR  11           HN       TYR  11 109.457   6.147   9.283
   97    HA   TYR  11           HA       TYR  11 106.857   5.153   9.379
   98    HB2  TYR  11           HB2      TYR  11 108.038   5.408   7.265
   99    HB3  TYR  11           HB1      TYR  11 109.198   4.168   7.736
  100    HD1  TYR  11           HD1      TYR  11 108.747   1.872   7.373
  101    HD2  TYR  11           HD2      TYR  11 105.581   4.757   7.071
  102    HE1  TYR  11           HE1      TYR  11 107.239   0.119   6.478
  103    HE2  TYR  11           HE2      TYR  11 104.069   3.001   6.188
  104    HH   TYR  11           HH       TYR  11 105.151   0.062   5.020
  105    H    VAL  12           HN       VAL  12 109.923   3.469  10.025
  106    HA   VAL  12           HA       VAL  12 108.829   0.894  10.472
  107    HB   VAL  12           HB       VAL  12 111.313   2.259  11.525
  108   HG11  VAL  12          HG11      VAL  12 111.211   0.639  13.142
  109   HG12  VAL  12          HG12      VAL  12 111.818  -0.379  11.836
  110   HG13  VAL  12          HG13      VAL  12 110.098  -0.365  12.211
  111   HG21  VAL  12          HG21      VAL  12 110.680   1.273   9.032
  112   HG22  VAL  12          HG22      VAL  12 111.470  -0.113   9.785
  113   HG23  VAL  12          HG23      VAL  12 112.319   1.431   9.662
  114    H    GLU  13           HN       GLU  13 109.708   3.421  12.840
  115    HA   GLU  13           HA       GLU  13 108.630   2.012  15.064
  116    HB2  GLU  13           HB2      GLU  13 109.617   4.771  14.546
  117    HB3  GLU  13           HB1      GLU  13 108.579   4.544  15.953
  118    HG2  GLU  13           HG2      GLU  13 110.892   4.241  16.633
  119    HG3  GLU  13           HG1      GLU  13 110.087   2.676  16.697
  120    H    GLN  14           HN       GLN  14 107.286   4.382  12.862
  121    HA   GLN  14           HA       GLN  14 104.864   4.792  14.292
  122    HB2  GLN  14           HB2      GLN  14 105.772   6.400  12.624
  123    HB3  GLN  14           HB1      GLN  14 105.421   5.228  11.351
  124    HG2  GLN  14           HG2      GLN  14 103.584   6.847  11.488
  125    HG3  GLN  14           HG1      GLN  14 103.006   5.274  12.050
  126   HE21  GLN  14          HE21      GLN  14 101.490   5.867  13.654
  127   HE22  GLN  14          HE22      GLN  14 101.861   6.854  14.984
  128    H    LEU  15           HN       LEU  15 105.145   3.425  11.043
  129    HA   LEU  15           HA       LEU  15 102.791   2.175  10.777
  130    HB2  LEU  15           HB2      LEU  15 105.048   2.035   9.336
  131    HB3  LEU  15           HB1      LEU  15 105.155   0.463  10.124
  132    HG   LEU  15           HG       LEU  15 103.985   0.209   7.992
  133   HD11  LEU  15          HD11      LEU  15 103.195  -0.962  10.158
  134   HD12  LEU  15          HD12      LEU  15 102.098  -0.970   8.783
  135   HD13  LEU  15          HD13      LEU  15 101.837   0.158  10.110
  136   HD21  LEU  15          HD21      LEU  15 102.442   1.690   7.213
  137   HD22  LEU  15          HD22      LEU  15 103.062   2.768   8.461
  138   HD23  LEU  15          HD23      LEU  15 101.633   1.800   8.770
  139    H    LYS  16           HN       LYS  16 105.565   0.746  12.489
  140    HA   LYS  16           HA       LYS  16 104.256  -1.618  13.293
  141    HB2  LYS  16           HB2      LYS  16 106.613  -0.104  14.396
  142    HB3  LYS  16           HB1      LYS  16 106.030  -1.576  15.152
  143    HG2  LYS  16           HG2      LYS  16 106.226  -2.713  12.913
  144    HG3  LYS  16           HG1      LYS  16 107.011  -1.251  12.322
  145    HD2  LYS  16           HD2      LYS  16 108.832  -1.483  13.811
  146    HD3  LYS  16           HD1      LYS  16 108.022  -2.737  14.748
  147    HE2  LYS  16           HE2      LYS  16 108.001  -4.006  12.420
  148    HE3  LYS  16           HE1      LYS  16 109.345  -2.920  12.070
  149    HZ1  LYS  16           HZ1      LYS  16 110.366  -4.727  13.034
  150    HZ2  LYS  16           HZ2      LYS  16 109.116  -4.983  14.156
  151    HZ3  LYS  16           HZ3      LYS  16 110.190  -3.681  14.357
  152    H    GLN  17           HN       GLN  17 104.499   1.556  14.809
  153    HA   GLN  17           HA       GLN  17 103.220   0.869  17.259
  154    HB2  GLN  17           HB2      GLN  17 103.985   3.341  15.849
  155    HB3  GLN  17           HB1      GLN  17 102.611   3.509  16.936
  156    HG2  GLN  17           HG2      GLN  17 105.186   2.156  17.752
  157    HG3  GLN  17           HG1      GLN  17 104.909   3.883  17.978
  158   HE21  GLN  17          HE21      GLN  17 104.963   1.292  19.844
  159   HE22  GLN  17          HE22      GLN  17 103.623   1.564  20.849
  160    H    ALA  18           HN       ALA  18 101.943   2.587  14.397
  161    HA   ALA  18           HA       ALA  18  99.262   2.623  15.108
  162    HB1  ALA  18           HB1      ALA  18 100.235   3.846  13.175
  163    HB2  ALA  18           HB2      ALA  18  98.776   2.949  12.754
  164    HB3  ALA  18           HB3      ALA  18 100.359   2.315  12.314
  165    H    LEU  19           HN       LEU  19 101.216   0.035  14.401
  166    HA   LEU  19           HA       LEU  19  99.070  -1.746  13.477
  167    HB2  LEU  19           HB2      LEU  19 101.970  -1.873  13.510
  168    HB3  LEU  19           HB1      LEU  19 101.254  -3.374  14.092
  169    HG   LEU  19           HG       LEU  19 100.458  -1.975  11.531
  170   HD11  LEU  19          HD11      LEU  19 102.199  -4.407  11.975
  171   HD12  LEU  19          HD12      LEU  19 102.776  -2.827  11.454
  172   HD13  LEU  19          HD13      LEU  19 101.708  -3.765  10.408
  173   HD21  LEU  19          HD21      LEU  19  98.756  -3.438  11.501
  174   HD22  LEU  19          HD22      LEU  19  99.234  -4.015  13.096
  175   HD23  LEU  19          HD23      LEU  19  99.884  -4.784  11.648
  176    H    LYS  20           HN       LYS  20 101.234  -1.524  16.295
  177    HA   LYS  20           HA       LYS  20 100.380  -3.583  17.839
  178    HB2  LYS  20           HB2      LYS  20 102.103  -1.903  18.498
  179    HB3  LYS  20           HB1      LYS  20 100.801  -0.775  18.875
  180    HG2  LYS  20           HG2      LYS  20  99.897  -2.357  20.534
  181    HG3  LYS  20           HG1      LYS  20 101.185  -3.498  20.150
  182    HD2  LYS  20           HD2      LYS  20 102.870  -1.837  20.860
  183    HD3  LYS  20           HD1      LYS  20 101.577  -0.706  21.261
  184    HE2  LYS  20           HE2      LYS  20 100.678  -2.320  22.904
  185    HE3  LYS  20           HE1      LYS  20 101.985  -3.437  22.515
  186    HZ1  LYS  20           HZ1      LYS  20 102.017  -1.102  24.175
  187    HZ2  LYS  20           HZ2      LYS  20 103.271  -1.103  23.029
  188    HZ3  LYS  20           HZ3      LYS  20 103.106  -2.400  24.113
  189    H    THR  21           HN       THR  21  98.663  -0.610  17.142
  190    HA   THR  21           HA       THR  21  96.619  -0.832  19.085
  191    HB   THR  21           HB       THR  21  97.145   1.139  17.527
  192    HG1  THR  21           HG1      THR  21  95.314   1.816  18.259
  193   HG21  THR  21          HG21      THR  21  96.300   1.161  15.364
  194   HG22  THR  21          HG22      THR  21  95.105  -0.091  15.709
  195   HG23  THR  21          HG23      THR  21  96.800  -0.519  15.518
  196    H    ARG  22           HN       ARG  22  97.003  -2.299  15.908
  197    HA   ARG  22           HA       ARG  22  94.360  -3.351  15.764
  198    HB2  ARG  22           HB2      ARG  22  96.906  -3.869  14.257
  199    HB3  ARG  22           HB1      ARG  22  95.486  -4.876  13.994
  200    HG2  ARG  22           HG2      ARG  22  94.185  -2.705  13.589
  201    HG3  ARG  22           HG1      ARG  22  95.747  -1.885  13.540
  202    HD2  ARG  22           HD2      ARG  22  95.106  -2.445  11.290
  203    HD3  ARG  22           HD1      ARG  22  96.462  -3.463  11.758
  204    HE   ARG  22           HE       ARG  22  95.043  -5.320  11.713
  205   HH11  ARG  22          HH11      ARG  22  93.086  -6.315  11.127
  206   HH12  ARG  22          HH12      ARG  22  91.687  -5.344  10.812
  207   HH21  ARG  22          HH21      ARG  22  93.307  -2.341  11.430
  208   HH22  ARG  22          HH22      ARG  22  91.812  -3.093  10.984
  209    H    GLY  23           HN       GLY  23  97.010  -4.152  17.638
  210    HA2  GLY  23           HA2      GLY  23  96.729  -5.825  19.389
  211    HA3  GLY  23           HA1      GLY  23  95.832  -6.801  18.230
  212    H    VAL  24           HN       VAL  24  98.788  -5.136  17.351
  213    HA   VAL  24           HA       VAL  24 100.073  -7.760  16.997
  214    HB   VAL  24           HB       VAL  24 100.923  -5.147  15.759
  215   HG11  VAL  24          HG11      VAL  24 102.654  -6.773  15.594
  216   HG12  VAL  24          HG12      VAL  24 101.835  -6.817  14.037
  217   HG13  VAL  24          HG13      VAL  24 101.515  -8.069  15.235
  218   HG21  VAL  24          HG21      VAL  24  98.870  -7.181  14.875
  219   HG22  VAL  24          HG22      VAL  24  99.730  -6.189  13.698
  220   HG23  VAL  24          HG23      VAL  24  98.716  -5.424  14.926
  221    H    LYS  25           HN       LYS  25 102.531  -7.680  17.217
  222    HA   LYS  25           HA       LYS  25 103.240  -6.047  19.565
  223    HB2  LYS  25           HB2      LYS  25 103.112  -8.474  20.044
  224    HB3  LYS  25           HB1      LYS  25 104.320  -8.765  18.791
  225    HG2  LYS  25           HG2      LYS  25 105.958  -7.419  19.997
  226    HG3  LYS  25           HG1      LYS  25 104.755  -6.997  21.216
  227    HD2  LYS  25           HD2      LYS  25 104.537  -9.384  21.821
  228    HD3  LYS  25           HD1      LYS  25 105.759  -9.794  20.617
  229    HE2  LYS  25           HE2      LYS  25 107.413  -8.417  21.797
  230    HE3  LYS  25           HE1      LYS  25 106.196  -7.952  22.985
  231    HZ1  LYS  25           HZ1      LYS  25 106.924 -10.774  22.459
  232    HZ2  LYS  25           HZ2      LYS  25 106.039 -10.149  23.768
  233    HZ3  LYS  25           HZ3      LYS  25 107.703  -9.833  23.635
  234    H    VAL  26           HN       VAL  26 105.104  -4.862  19.505
  235    HA   VAL  26           HA       VAL  26 106.612  -4.923  16.964
  236    HB   VAL  26           HB       VAL  26 107.144  -2.588  17.366
  237   HG11  VAL  26          HG11      VAL  26 104.936  -3.196  16.339
  238   HG12  VAL  26          HG12      VAL  26 104.915  -1.645  17.183
  239   HG13  VAL  26          HG13      VAL  26 104.205  -3.069  17.938
  240   HG21  VAL  26          HG21      VAL  26 107.335  -2.069  19.591
  241   HG22  VAL  26          HG22      VAL  26 106.164  -3.296  20.073
  242   HG23  VAL  26          HG23      VAL  26 105.608  -1.733  19.480
  243    H    LYS  27           HN       LYS  27 108.114  -6.490  17.531
  244    HA   LYS  27           HA       LYS  27 109.895  -5.844  19.800
  245    HB2  LYS  27           HB2      LYS  27 110.643  -8.242  19.540
  246    HB3  LYS  27           HB1      LYS  27 108.986  -8.018  20.101
  247    HG2  LYS  27           HG2      LYS  27 108.090  -8.478  17.927
  248    HG3  LYS  27           HG1      LYS  27 109.689  -8.406  17.185
  249    HD2  LYS  27           HD2      LYS  27 110.390 -10.388  18.448
  250    HD3  LYS  27           HD1      LYS  27 108.810 -10.459  19.236
  251    HE2  LYS  27           HE2      LYS  27 107.720 -10.795  17.057
  252    HE3  LYS  27           HE1      LYS  27 109.282 -10.681  16.246
  253    HZ1  LYS  27           HZ1      LYS  27 108.122 -12.956  17.231
  254    HZ2  LYS  27           HZ2      LYS  27 109.325 -12.581  18.370
  255    HZ3  LYS  27           HZ3      LYS  27 109.734 -12.784  16.734
  256    H    TYR  28           HN       TYR  28 112.212  -6.442  19.457
  257    HA   TYR  28           HA       TYR  28 113.258  -5.104  17.189
  258    HB2  TYR  28           HB2      TYR  28 114.607  -7.004  19.119
  259    HB3  TYR  28           HB1      TYR  28 115.443  -5.953  17.974
  260    HD1  TYR  28           HD1      TYR  28 113.239  -6.007  20.958
  261    HD2  TYR  28           HD2      TYR  28 115.692  -3.601  18.379
  262    HE1  TYR  28           HE1      TYR  28 113.099  -4.132  22.575
  263    HE2  TYR  28           HE2      TYR  28 115.552  -1.726  19.996
  264    HH   TYR  28           HH       TYR  28 113.917  -2.116  23.124
  265    H    ALA  29           HN       ALA  29 112.705  -8.501  17.938
  266    HA   ALA  29           HA       ALA  29 114.116  -9.672  15.823
  267    HB1  ALA  29           HB1      ALA  29 112.670 -10.649  17.900
  268    HB2  ALA  29           HB2      ALA  29 113.223 -11.621  16.535
  269    HB3  ALA  29           HB3      ALA  29 111.583 -10.981  16.551
  270    H    ASP  30           HN       ASP  30 111.141  -7.942  15.886
  271    HA   ASP  30           HA       ASP  30 110.048  -8.986  13.438
  272    HB2  ASP  30           HB2      ASP  30 109.427  -6.644  15.199
  273    HB3  ASP  30           HB1      ASP  30 108.718  -6.728  13.604
  274    H    LEU  31           HN       LEU  31 112.015  -6.175  14.291
  275    HA   LEU  31           HA       LEU  31 111.939  -4.920  11.742
  276    HB2  LEU  31           HB2      LEU  31 113.895  -4.896  14.053
  277    HB3  LEU  31           HB1      LEU  31 114.241  -4.015  12.568
  278    HG   LEU  31           HG       LEU  31 111.668  -3.215  13.070
  279   HD11  LEU  31          HD11      LEU  31 111.846  -4.513  15.265
  280   HD12  LEU  31          HD12      LEU  31 111.389  -2.816  15.417
  281   HD13  LEU  31          HD13      LEU  31 113.040  -3.314  15.758
  282   HD21  LEU  31          HD21      LEU  31 114.196  -1.962  14.147
  283   HD22  LEU  31          HD22      LEU  31 112.661  -1.136  13.879
  284   HD23  LEU  31          HD23      LEU  31 113.569  -1.775  12.509
  285    H    LEU  32           HN       LEU  32 114.045  -7.431  13.089
  286    HA   LEU  32           HA       LEU  32 115.978  -7.482  11.071
  287    HB2  LEU  32           HB2      LEU  32 114.814  -9.913  12.442
  288    HB3  LEU  32           HB1      LEU  32 116.444  -9.739  11.778
  289    HG   LEU  32           HG       LEU  32 115.325  -8.092  14.085
  290   HD11  LEU  32          HD11      LEU  32 115.879 -10.604  14.450
  291   HD12  LEU  32          HD12      LEU  32 116.604  -9.429  15.547
  292   HD13  LEU  32          HD13      LEU  32 117.561 -10.117  14.234
  293   HD21  LEU  32          HD21      LEU  32 117.917  -7.638  14.240
  294   HD22  LEU  32          HD22      LEU  32 116.944  -6.725  13.087
  295   HD23  LEU  32          HD23      LEU  32 117.912  -8.093  12.535
  296    H    LYS  33           HN       LYS  33 112.893  -9.242  11.224
  297    HA   LYS  33           HA       LYS  33 113.271 -10.404   8.624
  298    HB2  LYS  33           HB2      LYS  33 112.007 -11.532  10.448
  299    HB3  LYS  33           HB1      LYS  33 110.762 -10.291  10.307
  300    HG2  LYS  33           HG2      LYS  33 110.353 -10.924   7.971
  301    HG3  LYS  33           HG1      LYS  33 111.644 -12.124   8.058
  302    HD2  LYS  33           HD2      LYS  33 110.417 -13.334   9.820
  303    HD3  LYS  33           HD1      LYS  33 109.125 -12.134   9.751
  304    HE2  LYS  33           HE2      LYS  33 108.684 -12.716   7.407
  305    HE3  LYS  33           HE1      LYS  33 110.003 -13.887   7.434
  306    HZ1  LYS  33           HZ1      LYS  33 107.505 -14.556   7.925
  307    HZ2  LYS  33           HZ2      LYS  33 107.962 -14.129   9.505
  308    HZ3  LYS  33           HZ3      LYS  33 108.812 -15.340   8.670
  309    H    PHE  34           HN       PHE  34 110.941  -8.053   9.936
  310    HA   PHE  34           HA       PHE  34 109.667  -7.501   7.502
  311    HB2  PHE  34           HB2      PHE  34 109.736  -6.334  10.172
  312    HB3  PHE  34           HB1      PHE  34 109.492  -5.133   8.917
  313    HD1  PHE  34           HD1      PHE  34 107.816  -5.973   6.979
  314    HD2  PHE  34           HD2      PHE  34 107.829  -7.352  11.047
  315    HE1  PHE  34           HE1      PHE  34 105.452  -6.680   6.745
  316    HE2  PHE  34           HE2      PHE  34 105.465  -8.060  10.815
  317    HZ   PHE  34           HZ       PHE  34 104.277  -7.729   8.663
  318    H    PHE  35           HN       PHE  35 112.530  -6.073   8.944
  319    HA   PHE  35           HA       PHE  35 112.727  -3.913   7.041
  320    HB2  PHE  35           HB2      PHE  35 113.737  -4.044   9.400
  321    HB3  PHE  35           HB1      PHE  35 115.025  -5.004   8.666
  322    HD1  PHE  35           HD1      PHE  35 116.136  -3.966   6.533
  323    HD2  PHE  35           HD2      PHE  35 113.798  -1.732   9.368
  324    HE1  PHE  35           HE1      PHE  35 117.172  -1.863   5.728
  325    HE2  PHE  35           HE2      PHE  35 114.838   0.371   8.558
  326    HZ   PHE  35           HZ       PHE  35 116.524   0.306   6.741
  327    H    ASP  36           HN       ASP  36 114.504  -6.973   7.522
  328    HA   ASP  36           HA       ASP  36 116.014  -6.698   5.098
  329    HB2  ASP  36           HB2      ASP  36 115.533  -9.111   6.852
  330    HB3  ASP  36           HB1      ASP  36 116.674  -9.056   5.513
  331    H    PHE  37           HN       PHE  37 112.857  -7.841   5.852
  332    HA   PHE  37           HA       PHE  37 112.485  -9.730   3.812
  333    HB2  PHE  37           HB2      PHE  37 110.796  -9.760   5.416
  334    HB3  PHE  37           HB1      PHE  37 110.659  -8.001   5.444
  335    HD1  PHE  37           HD1      PHE  37 108.474  -7.451   4.795
  336    HD2  PHE  37           HD2      PHE  37 110.646 -10.441   2.605
  337    HE1  PHE  37           HE1      PHE  37 106.635  -7.574   3.137
  338    HE2  PHE  37           HE2      PHE  37 108.811 -10.562   0.947
  339    HZ   PHE  37           HZ       PHE  37 106.803  -9.131   1.213
  340    H    VAL  38           HN       VAL  38 111.325  -6.354   3.923
  341    HA   VAL  38           HA       VAL  38 110.686  -6.309   1.133
  342    HB   VAL  38           HB       VAL  38 110.768  -3.725   1.609
  343   HG11  VAL  38          HG11      VAL  38 108.534  -3.862   2.592
  344   HG12  VAL  38          HG12      VAL  38 108.837  -5.521   3.116
  345   HG13  VAL  38          HG13      VAL  38 108.715  -5.149   1.396
  346   HG21  VAL  38          HG21      VAL  38 111.093  -3.055   3.772
  347   HG22  VAL  38          HG22      VAL  38 112.027  -4.546   3.875
  348   HG23  VAL  38          HG23      VAL  38 110.352  -4.510   4.428
  349    H    LYS  39           HN       LYS  39 113.544  -5.500   2.977
  350    HA   LYS  39           HA       LYS  39 114.932  -3.975   1.053
  351    HB2  LYS  39           HB2      LYS  39 115.580  -4.433   3.481
  352    HB3  LYS  39           HB1      LYS  39 116.240  -5.965   2.910
  353    HG2  LYS  39           HG2      LYS  39 117.752  -4.799   1.402
  354    HG3  LYS  39           HG1      LYS  39 117.023  -3.250   1.815
  355    HD2  LYS  39           HD2      LYS  39 117.727  -3.623   4.188
  356    HD3  LYS  39           HD1      LYS  39 118.563  -5.086   3.663
  357    HE2  LYS  39           HE2      LYS  39 119.109  -2.297   2.607
  358    HE3  LYS  39           HE1      LYS  39 120.100  -3.159   3.776
  359    HZ1  LYS  39           HZ1      LYS  39 120.914  -3.332   1.471
  360    HZ2  LYS  39           HZ2      LYS  39 119.492  -4.167   1.060
  361    HZ3  LYS  39           HZ3      LYS  39 120.579  -4.837   2.179
  362    H    ASP  40           HN       ASP  40 114.574  -7.470   1.421
  363    HA   ASP  40           HA       ASP  40 116.501  -8.517  -0.179
  364    HB2  ASP  40           HB2      ASP  40 113.564  -9.225  -0.094
  365    HB3  ASP  40           HB1      ASP  40 114.775 -10.204  -0.921
  366    H    THR  41           HN       THR  41 113.322  -7.505  -1.467
  367    HA   THR  41           HA       THR  41 114.591  -7.165  -4.106
  368    HB   THR  41           HB       THR  41 112.154  -7.119  -4.881
  369    HG1  THR  41           HG1      THR  41 110.700  -7.306  -3.401
  370   HG21  THR  41          HG21      THR  41 111.970  -9.655  -4.544
  371   HG22  THR  41          HG22      THR  41 113.469  -9.530  -3.624
  372   HG23  THR  41          HG23      THR  41 113.439  -9.071  -5.326
  373    H    CYS  42           HN       CYS  42 113.606  -5.399  -1.453
  374    HA   CYS  42           HA       CYS  42 112.892  -3.211  -1.132
  375    HB2  CYS  42           HB2      CYS  42 114.441  -1.635  -2.029
  376    HB3  CYS  42           HB1      CYS  42 115.339  -3.113  -1.693
  377    HG   CYS  42           HG       CYS  42 115.668  -3.513  -4.150
  378    HA   PRO  43           HA       PRO  43 110.336  -3.030  -5.044
  379    HB2  PRO  43           HB2      PRO  43 107.971  -3.946  -4.077
  380    HB3  PRO  43           HB1      PRO  43 109.228  -5.030  -4.706
  381    HG2  PRO  43           HG2      PRO  43 108.495  -4.411  -1.901
  382    HG3  PRO  43           HG1      PRO  43 109.042  -5.930  -2.620
  383    HD2  PRO  43           HD2      PRO  43 110.653  -4.205  -1.153
  384    HD3  PRO  43           HD1      PRO  43 111.229  -5.434  -2.298
  385    H    TRP  44           HN       TRP  44 110.040  -1.964  -1.783
  386    HA   TRP  44           HA       TRP  44 107.817  -0.205  -2.110
  387    HB2  TRP  44           HB2      TRP  44 109.611  -0.980  -0.002
  388    HB3  TRP  44           HB1      TRP  44 109.464   0.777  -0.038
  389    HD1  TRP  44           HD1      TRP  44 107.119   1.838   0.484
  390    HE1  TRP  44           HE1      TRP  44 104.956   0.884   1.506
  391    HE3  TRP  44           HE3      TRP  44 108.113  -3.159   0.149
  392    HZ2  TRP  44           HZ2      TRP  44 103.797  -1.662   2.104
  393    HZ3  TRP  44           HZ3      TRP  44 106.461  -4.823   0.952
  394    HH2  TRP  44           HH2      TRP  44 104.310  -4.082   1.932
  395    H    PHE  45           HN       PHE  45 110.221  -0.044  -3.998
  396    HA   PHE  45           HA       PHE  45 111.356   1.569  -5.132
  397    HB2  PHE  45           HB2      PHE  45 108.866   2.834  -4.256
  398    HB3  PHE  45           HB1      PHE  45 110.157   3.938  -4.723
  399    HD1  PHE  45           HD1      PHE  45 107.490   2.004  -5.951
  400    HD2  PHE  45           HD2      PHE  45 111.500   3.197  -6.922
  401    HE1  PHE  45           HE1      PHE  45 107.057   1.513  -8.341
  402    HE2  PHE  45           HE2      PHE  45 111.068   2.705  -9.313
  403    HZ   PHE  45           HZ       PHE  45 108.846   1.863 -10.024
  404    HA   PRO  46           HA       PRO  46 113.582   2.895  -1.299
  405    HB2  PRO  46           HB2      PRO  46 116.081   2.266  -2.214
  406    HB3  PRO  46           HB1      PRO  46 115.000   1.099  -1.430
  407    HG2  PRO  46           HG2      PRO  46 115.589   1.495  -4.310
  408    HG3  PRO  46           HG1      PRO  46 115.319   0.003  -3.400
  409    HD2  PRO  46           HD2      PRO  46 113.440   1.163  -4.992
  410    HD3  PRO  46           HD1      PRO  46 113.037   0.143  -3.600
  411    H    GLN  47           HN       GLN  47 113.531   3.910  -4.535
  412    HA   GLN  47           HA       GLN  47 115.579   5.957  -4.301
  413    HB2  GLN  47           HB2      GLN  47 113.442   5.449  -6.385
  414    HB3  GLN  47           HB1      GLN  47 114.707   6.668  -6.526
  415    HG2  GLN  47           HG2      GLN  47 116.436   4.943  -6.401
  416    HG3  GLN  47           HG1      GLN  47 115.210   3.700  -6.164
  417   HE21  GLN  47          HE21      GLN  47 116.576   3.016  -8.284
  418   HE22  GLN  47          HE22      GLN  47 115.872   3.502  -9.750
  419    H    GLU  48           HN       GLU  48 112.038   6.018  -4.768
  420    HA   GLU  48           HA       GLU  48 111.960   8.786  -3.770
  421    HB2  GLU  48           HB2      GLU  48 109.508   8.571  -4.391
  422    HB3  GLU  48           HB1      GLU  48 110.646   8.476  -5.726
  423    HG2  GLU  48           HG2      GLU  48 110.527   6.032  -5.693
  424    HG3  GLU  48           HG1      GLU  48 109.451   6.094  -4.299
  425    H    GLY  49           HN       GLY  49 111.252   5.540  -2.774
  426    HA2  GLY  49           HA2      GLY  49 110.564   4.674  -0.750
  427    HA3  GLY  49           HA1      GLY  49 110.872   6.258  -0.052
  428    H    THR  50           HN       THR  50 108.520   4.554  -2.117
  429    HA   THR  50           HA       THR  50 106.358   6.022  -0.745
  430    HB   THR  50           HB       THR  50 106.777   6.958  -3.020
  431    HG1  THR  50           HG1      THR  50 104.366   5.514  -2.656
  432   HG21  THR  50          HG21      THR  50 107.553   4.769  -3.996
  433   HG22  THR  50          HG22      THR  50 106.339   5.597  -4.975
  434   HG23  THR  50          HG23      THR  50 105.870   4.220  -3.973
  435    H    ILE  51           HN       ILE  51 104.184   4.959  -1.169
  436    HA   ILE  51           HA       ILE  51 104.545   2.056  -0.836
  437    HB   ILE  51           HB       ILE  51 101.958   3.440  -0.270
  438   HG12  ILE  51          HG12      ILE  51 104.502   3.672   1.342
  439   HG13  ILE  51          HG11      ILE  51 103.415   4.961   0.824
  440   HG21  ILE  51          HG21      ILE  51 102.694   0.880  -0.037
  441   HG22  ILE  51          HG22      ILE  51 101.602   1.632   1.124
  442   HG23  ILE  51          HG23      ILE  51 103.308   1.459   1.510
  443   HD11  ILE  51          HD11      ILE  51 101.629   3.803   2.245
  444   HD12  ILE  51          HD12      ILE  51 102.914   4.643   3.110
  445   HD13  ILE  51          HD13      ILE  51 102.955   2.887   2.958
  446    H    ASP  52           HN       ASP  52 103.381   0.580  -2.099
  447    HA   ASP  52           HA       ASP  52 101.627   1.674  -4.187
  448    HB2  ASP  52           HB2      ASP  52 103.942   1.360  -5.110
  449    HB3  ASP  52           HB1      ASP  52 103.817  -0.345  -4.694
  450    H    ILE  53           HN       ILE  53  99.773   0.639  -4.086
  451    HA   ILE  53           HA       ILE  53  99.382  -1.750  -2.559
  452    HB   ILE  53           HB       ILE  53  97.459  -0.512  -4.542
  453   HG12  ILE  53          HG12      ILE  53  98.215   1.231  -3.012
  454   HG13  ILE  53          HG11      ILE  53  96.596   0.742  -2.517
  455   HG21  ILE  53          HG21      ILE  53  97.007  -2.124  -2.002
  456   HG22  ILE  53          HG22      ILE  53  96.930  -2.793  -3.631
  457   HG23  ILE  53          HG23      ILE  53  95.764  -1.572  -3.125
  458   HD11  ILE  53          HD11      ILE  53  97.777   0.759  -0.475
  459   HD12  ILE  53          HD12      ILE  53  99.249   0.134  -1.214
  460   HD13  ILE  53          HD13      ILE  53  97.881  -0.939  -0.938
  461    H    LYS  54           HN       LYS  54  99.543  -1.038  -6.005
  462    HA   LYS  54           HA       LYS  54  98.818  -3.639  -6.893
  463    HB2  LYS  54           HB2      LYS  54 100.424  -1.454  -8.256
  464    HB3  LYS  54           HB1      LYS  54  99.840  -2.913  -9.052
  465    HG2  LYS  54           HG2      LYS  54  97.518  -2.316  -8.484
  466    HG3  LYS  54           HG1      LYS  54  98.090  -0.860  -7.669
  467    HD2  LYS  54           HD2      LYS  54  99.028  -0.018  -9.773
  468    HD3  LYS  54           HD1      LYS  54  98.516  -1.488 -10.605
  469    HE2  LYS  54           HE2      LYS  54  96.169  -0.976 -10.112
  470    HE3  LYS  54           HE1      LYS  54  96.653   0.469  -9.224
  471    HZ1  LYS  54           HZ1      LYS  54  97.823   0.432 -11.806
  472    HZ2  LYS  54           HZ2      LYS  54  96.807   1.599 -11.105
  473    HZ3  LYS  54           HZ3      LYS  54  96.139   0.269 -11.925
  474    H    ARG  55           HN       ARG  55 102.009  -2.060  -6.598
  475    HA   ARG  55           HA       ARG  55 103.526  -4.305  -7.351
  476    HB2  ARG  55           HB2      ARG  55 104.169  -1.746  -6.925
  477    HB3  ARG  55           HB1      ARG  55 104.635  -2.399  -5.352
  478    HG2  ARG  55           HG2      ARG  55 106.098  -4.026  -6.394
  479    HG3  ARG  55           HG1      ARG  55 105.585  -3.517  -8.003
  480    HD2  ARG  55           HD2      ARG  55 106.940  -1.710  -5.991
  481    HD3  ARG  55           HD1      ARG  55 107.769  -2.520  -7.316
  482    HE   ARG  55           HE       ARG  55 106.045  -0.201  -7.514
  483   HH11  ARG  55          HH11      ARG  55 105.861   0.694  -9.594
  484   HH12  ARG  55          HH12      ARG  55 106.397  -0.210 -10.971
  485   HH21  ARG  55          HH21      ARG  55 107.416  -2.951  -9.107
  486   HH22  ARG  55          HH22      ARG  55 107.278  -2.273 -10.695
  487    H    TRP  56           HN       TRP  56 102.423  -3.169  -4.186
  488    HA   TRP  56           HA       TRP  56 103.788  -4.906  -2.542
  489    HB2  TRP  56           HB2      TRP  56 102.526  -3.258  -1.458
  490    HB3  TRP  56           HB1      TRP  56 101.056  -3.686  -2.332
  491    HD1  TRP  56           HD1      TRP  56  99.407  -4.864  -0.824
  492    HE1  TRP  56           HE1      TRP  56  99.542  -6.560   1.114
  493    HE3  TRP  56           HE3      TRP  56 104.478  -5.403  -0.461
  494    HZ2  TRP  56           HZ2      TRP  56 101.534  -7.960   2.614
  495    HZ3  TRP  56           HZ3      TRP  56 105.462  -6.924   1.217
  496    HH2  TRP  56           HH2      TRP  56 104.003  -8.203   2.754
  497    H    ARG  57           HN       ARG  57 100.873  -5.464  -4.436
  498    HA   ARG  57           HA       ARG  57 100.216  -8.004  -3.375
  499    HB2  ARG  57           HB2      ARG  57  98.644  -6.649  -4.728
  500    HB3  ARG  57           HB1      ARG  57  99.661  -6.909  -6.147
  501    HG2  ARG  57           HG2      ARG  57  99.312  -9.356  -5.929
  502    HG3  ARG  57           HG1      ARG  57  98.281  -9.070  -4.526
  503    HD2  ARG  57           HD2      ARG  57  96.804  -7.662  -5.976
  504    HD3  ARG  57           HD1      ARG  57  97.791  -8.126  -7.360
  505    HE   ARG  57           HE       ARG  57  96.795 -10.389  -5.876
  506   HH11  ARG  57          HH11      ARG  57  95.246 -11.664  -6.942
  507   HH12  ARG  57          HH12      ARG  57  94.444 -11.047  -8.347
  508   HH21  ARG  57          HH21      ARG  57  96.121  -8.012  -8.298
  509   HH22  ARG  57          HH22      ARG  57  94.940  -8.979  -9.116
  510    H    ARG  58           HN       ARG  58 102.244  -6.992  -6.113
  511    HA   ARG  58           HA       ARG  58 102.770  -9.539  -7.180
  512    HB2  ARG  58           HB2      ARG  58 104.429  -7.017  -7.102
  513    HB3  ARG  58           HB1      ARG  58 104.918  -8.453  -7.995
  514    HG2  ARG  58           HG2      ARG  58 102.839  -8.370  -9.299
  515    HG3  ARG  58           HG1      ARG  58 102.301  -6.965  -8.379
  516    HD2  ARG  58           HD2      ARG  58 104.272  -5.700  -9.181
  517    HD3  ARG  58           HD1      ARG  58 104.777  -7.098 -10.126
  518    HE   ARG  58           HE       ARG  58 102.636  -5.256 -10.773
  519   HH11  ARG  58          HH11      ARG  58 101.622  -5.619 -12.772
  520   HH12  ARG  58          HH12      ARG  58 101.873  -7.116 -13.606
  521   HH21  ARG  58          HH21      ARG  58 103.979  -8.418 -11.178
  522   HH22  ARG  58          HH22      ARG  58 103.209  -8.701 -12.703
  523    H    VAL  59           HN       VAL  59 104.715  -7.663  -4.860
  524    HA   VAL  59           HA       VAL  59 106.620  -9.720  -4.352
  525    HB   VAL  59           HB       VAL  59 107.180  -7.452  -3.771
  526   HG11  VAL  59          HG11      VAL  59 105.930  -6.150  -2.158
  527   HG12  VAL  59          HG12      VAL  59 104.887  -7.523  -1.787
  528   HG13  VAL  59          HG13      VAL  59 104.801  -6.750  -3.366
  529   HG21  VAL  59          HG21      VAL  59 106.693  -8.658  -1.070
  530   HG22  VAL  59          HG22      VAL  59 108.131  -7.842  -1.680
  531   HG23  VAL  59          HG23      VAL  59 107.763  -9.487  -2.200
  532    H    GLY  60           HN       GLY  60 103.546  -8.857  -2.830
  533    HA2  GLY  60           HA2      GLY  60 103.711 -10.566  -0.590
  534    HA3  GLY  60           HA1      GLY  60 102.220  -9.979  -1.317
  535    H    ASP  61           HN       ASP  61 102.267 -11.091  -3.806
  536    HA   ASP  61           HA       ASP  61 101.489 -13.784  -3.281
  537    HB2  ASP  61           HB2      ASP  61 100.407 -12.458  -5.033
  538    HB3  ASP  61           HB1      ASP  61 101.933 -12.349  -5.910
  539    H    CYS  62           HN       CYS  62 104.339 -12.282  -4.688
  540    HA   CYS  62           HA       CYS  62 105.561 -14.624  -5.695
  541    HB2  CYS  62           HB2      CYS  62 106.740 -12.012  -4.743
  542    HB3  CYS  62           HB1      CYS  62 107.684 -13.279  -5.523
  543    HG   CYS  62           HG       CYS  62 106.710 -12.663  -7.725
  544    H    PHE  63           HN       PHE  63 105.565 -13.121  -2.505
  545    HA   PHE  63           HA       PHE  63 107.533 -14.980  -1.462
  546    HB2  PHE  63           HB2      PHE  63 106.073 -12.599  -0.459
  547    HB3  PHE  63           HB1      PHE  63 106.568 -13.791   0.742
  548    HD1  PHE  63           HD1      PHE  63 108.777 -13.814   1.533
  549    HD2  PHE  63           HD2      PHE  63 107.886 -11.844  -2.178
  550    HE1  PHE  63           HE1      PHE  63 111.103 -12.962   1.426
  551    HE2  PHE  63           HE2      PHE  63 110.209 -10.990  -2.285
  552    HZ   PHE  63           HZ       PHE  63 111.819 -11.551  -0.483
  553    H    GLN  64           HN       GLN  64 104.049 -14.423  -1.200
  554    HA   GLN  64           HA       GLN  64 103.518 -16.427   0.710
  555    HB2  GLN  64           HB2      GLN  64 101.934 -14.600   0.037
  556    HB3  GLN  64           HB1      GLN  64 101.657 -15.474  -1.470
  557    HG2  GLN  64           HG2      GLN  64 100.925 -17.456  -0.162
  558    HG3  GLN  64           HG1      GLN  64 101.140 -16.532   1.324
  559   HE21  GLN  64          HE21      GLN  64  99.227 -15.616   2.062
  560   HE22  GLN  64          HE22      GLN  64  97.931 -15.135   1.075
  561    H    ASP  65           HN       ASP  65 103.664 -16.492  -2.813
  562    HA   ASP  65           HA       ASP  65 102.727 -19.156  -3.129
  563    HB2  ASP  65           HB2      ASP  65 102.709 -17.706  -5.029
  564    HB3  ASP  65           HB1      ASP  65 104.431 -17.372  -4.860
  565    H    TYR  66           HN       TYR  66 106.033 -17.792  -3.140
  566    HA   TYR  66           HA       TYR  66 107.370 -20.269  -3.362
  567    HB2  TYR  66           HB2      TYR  66 108.508 -18.173  -3.831
  568    HB3  TYR  66           HB1      TYR  66 108.296 -17.653  -2.158
  569    HD1  TYR  66           HD1      TYR  66 109.619 -20.605  -4.068
  570    HD2  TYR  66           HD2      TYR  66 110.077 -17.993  -0.687
  571    HE1  TYR  66           HE1      TYR  66 111.713 -21.778  -3.444
  572    HE2  TYR  66           HE2      TYR  66 112.168 -19.169  -0.063
  573    HH   TYR  66           HH       TYR  66 113.972 -20.597  -1.495
  574    H    TYR  67           HN       TYR  67 106.392 -18.364  -0.546
  575    HA   TYR  67           HA       TYR  67 107.609 -20.060   1.388
  576    HB2  TYR  67           HB2      TYR  67 106.992 -17.740   1.903
  577    HB3  TYR  67           HB1      TYR  67 105.292 -18.136   1.686
  578    HD1  TYR  67           HD1      TYR  67 108.290 -19.415   3.551
  579    HD2  TYR  67           HD2      TYR  67 104.062 -18.651   3.596
  580    HE1  TYR  67           HE1      TYR  67 108.176 -20.180   5.907
  581    HE2  TYR  67           HE2      TYR  67 103.950 -19.418   5.950
  582    HH   TYR  67           HH       TYR  67 105.569 -21.136   7.403
  583    H    ASN  68           HN       ASN  68 104.388 -19.916  -0.056
  584    HA   ASN  68           HA       ASN  68 103.124 -21.773   1.629
  585    HB2  ASN  68           HB2      ASN  68 101.829 -20.355   0.158
  586    HB3  ASN  68           HB1      ASN  68 102.587 -21.070  -1.262
  587   HD21  ASN  68          HD21      ASN  68 100.517 -21.879  -2.072
  588   HD22  ASN  68          HD22      ASN  68  99.735 -23.187  -1.324
  589    H    THR  69           HN       THR  69 104.957 -22.194  -1.365
  590    HA   THR  69           HA       THR  69 104.441 -24.846  -1.944
  591    HB   THR  69           HB       THR  69 106.692 -24.925  -2.965
  592    HG1  THR  69           HG1      THR  69 107.974 -23.886  -1.547
  593   HG21  THR  69          HG21      THR  69 106.276 -22.281  -3.842
  594   HG22  THR  69          HG22      THR  69 104.680 -22.889  -3.406
  595   HG23  THR  69          HG23      THR  69 105.663 -23.755  -4.586
  596    H    PHE  70           HN       PHE  70 106.057 -23.581   0.796
  597    HA   PHE  70           HA       PHE  70 107.300 -26.128   1.449
  598    HB2  PHE  70           HB2      PHE  70 107.276 -23.435   2.819
  599    HB3  PHE  70           HB1      PHE  70 108.028 -24.862   3.532
  600    HD1  PHE  70           HD1      PHE  70 109.930 -25.987   2.378
  601    HD2  PHE  70           HD2      PHE  70 108.288 -22.274   0.976
  602    HE1  PHE  70           HE1      PHE  70 111.956 -25.612   0.996
  603    HE2  PHE  70           HE2      PHE  70 110.310 -21.902  -0.404
  604    HZ   PHE  70           HZ       PHE  70 112.147 -23.569  -0.395
  605    H    GLY  71           HN       GLY  71 104.275 -25.426   1.409
  606    HA2  GLY  71           HA2      GLY  71 102.396 -25.771   2.722
  607    HA3  GLY  71           HA1      GLY  71 103.251 -27.256   3.131
  608    HA   PRO  72           HA       PRO  72 104.458 -24.345   6.686
  609    HB2  PRO  72           HB2      PRO  72 103.866 -21.690   6.535
  610    HB3  PRO  72           HB1      PRO  72 105.335 -22.395   5.835
  611    HG2  PRO  72           HG2      PRO  72 102.854 -21.492   4.501
  612    HG3  PRO  72           HG1      PRO  72 104.523 -21.506   3.918
  613    HD2  PRO  72           HD2      PRO  72 102.558 -23.378   3.228
  614    HD3  PRO  72           HD1      PRO  72 104.307 -23.553   2.995
  615    H    GLU  73           HN       GLU  73 103.209 -24.699   8.437
  616    HA   GLU  73           HA       GLU  73 100.328 -24.338   8.266
  617    HB2  GLU  73           HB2      GLU  73 101.311 -26.377   9.293
  618    HB3  GLU  73           HB1      GLU  73 102.025 -25.371  10.553
  619    HG2  GLU  73           HG2      GLU  73  99.813 -24.626  11.267
  620    HG3  GLU  73           HG1      GLU  73  99.058 -25.529   9.953
  621    H    LYS  74           HN       LYS  74 103.096 -22.759   9.632
  622    HA   LYS  74           HA       LYS  74 101.777 -21.283  11.664
  623    HB2  LYS  74           HB2      LYS  74 104.198 -20.272  10.194
  624    HB3  LYS  74           HB1      LYS  74 103.781 -20.092  11.900
  625    HG2  LYS  74           HG2      LYS  74 104.628 -22.649  10.495
  626    HG3  LYS  74           HG1      LYS  74 105.549 -21.771  11.713
  627    HD2  LYS  74           HD2      LYS  74 103.586 -22.152  13.294
  628    HD3  LYS  74           HD1      LYS  74 102.940 -23.261  12.080
  629    HE2  LYS  74           HE2      LYS  74 104.941 -24.636  12.197
  630    HE3  LYS  74           HE1      LYS  74 105.690 -23.502  13.322
  631    HZ1  LYS  74           HZ1      LYS  74 103.332 -24.029  14.510
  632    HZ2  LYS  74           HZ2      LYS  74 104.798 -24.802  14.881
  633    HZ3  LYS  74           HZ3      LYS  74 103.699 -25.529  13.808
  634    H    VAL  75           HN       VAL  75 102.664 -20.470   8.313
  635    HA   VAL  75           HA       VAL  75 102.193 -18.481   7.153
  636    HB   VAL  75           HB       VAL  75  99.526 -19.727   7.760
  637   HG11  VAL  75          HG11      VAL  75  99.414 -18.528   5.273
  638   HG12  VAL  75          HG12      VAL  75 100.315 -17.351   6.227
  639   HG13  VAL  75          HG13      VAL  75  98.714 -17.874   6.752
  640   HG21  VAL  75          HG21      VAL  75 101.682 -20.814   6.470
  641   HG22  VAL  75          HG22      VAL  75 100.886 -19.984   5.131
  642   HG23  VAL  75          HG23      VAL  75 100.008 -21.201   6.063
  643    HA   PRO  76           HA       PRO  76 101.338 -15.826  10.871
  644    HB2  PRO  76           HB2      PRO  76 103.001 -14.000   9.200
  645    HB3  PRO  76           HB1      PRO  76 103.141 -14.383  10.926
  646    HG2  PRO  76           HG2      PRO  76 104.870 -15.358   9.162
  647    HG3  PRO  76           HG1      PRO  76 104.309 -16.336  10.530
  648    HD2  PRO  76           HD2      PRO  76 103.505 -16.473   7.654
  649    HD3  PRO  76           HD1      PRO  76 103.732 -17.794   8.827
  650    H    VAL  77           HN       VAL  77  99.500 -14.702  10.928
  651    HA   VAL  77           HA       VAL  77  98.232 -13.782   8.477
  652    HB   VAL  77           HB       VAL  77  97.311 -13.511  11.337
  653   HG11  VAL  77          HG11      VAL  77  95.917 -13.210   8.668
  654   HG12  VAL  77          HG12      VAL  77  96.138 -11.971   9.903
  655   HG13  VAL  77          HG13      VAL  77  95.062 -13.336  10.205
  656   HG21  VAL  77          HG21      VAL  77  95.844 -15.466   9.822
  657   HG22  VAL  77          HG22      VAL  77  96.829 -15.752  11.253
  658   HG23  VAL  77          HG23      VAL  77  97.557 -15.852   9.646
  659    H    THR  78           HN       THR  78 100.206 -12.437  10.934
  660    HA   THR  78           HA       THR  78  99.427  -9.825  11.178
  661    HB   THR  78           HB       THR  78 101.734  -9.274  11.591
  662    HG1  THR  78           HG1      THR  78 102.867 -10.037   9.936
  663   HG21  THR  78          HG21      THR  78 101.816 -10.597  13.416
  664   HG22  THR  78          HG22      THR  78 102.082 -12.034  12.432
  665   HG23  THR  78          HG23      THR  78 100.440 -11.477  12.750
  666    H    ALA  79           HN       ALA  79 100.831 -11.392   8.369
  667    HA   ALA  79           HA       ALA  79 101.576  -9.161   6.868
  668    HB1  ALA  79           HB1      ALA  79 100.691 -10.857   4.952
  669    HB2  ALA  79           HB2      ALA  79 100.856 -11.971   6.312
  670    HB3  ALA  79           HB3      ALA  79 102.248 -11.029   5.766
  671    H    PHE  80           HN       PHE  80  98.433 -10.518   7.531
  672    HA   PHE  80           HA       PHE  80  97.030  -9.100   5.470
  673    HB2  PHE  80           HB2      PHE  80  96.178 -10.664   7.896
  674    HB3  PHE  80           HB1      PHE  80  95.009  -9.755   6.952
  675    HD1  PHE  80           HD1      PHE  80  94.207 -10.562   4.874
  676    HD2  PHE  80           HD2      PHE  80  97.623 -12.397   6.715
  677    HE1  PHE  80           HE1      PHE  80  94.126 -12.390   3.200
  678    HE2  PHE  80           HE2      PHE  80  97.543 -14.228   5.045
  679    HZ   PHE  80           HZ       PHE  80  95.795 -14.223   3.285
  680    H    SER  81           HN       SER  81  97.768  -8.534   8.868
  681    HA   SER  81           HA       SER  81  96.051  -6.310   9.239
  682    HB2  SER  81           HB2      SER  81  98.649  -6.955  10.650
  683    HB3  SER  81           HB1      SER  81  97.406  -5.844  11.218
  684    HG   SER  81           HG       SER  81  96.493  -7.532  12.054
  685    H    TYR  82           HN       TYR  82  99.397  -6.626   8.141
  686    HA   TYR  82           HA       TYR  82 100.063  -3.891   8.115
  687    HB2  TYR  82           HB2      TYR  82 101.097  -6.353   6.836
  688    HB3  TYR  82           HB1      TYR  82 101.540  -4.835   6.065
  689    HD1  TYR  82           HD1      TYR  82 101.797  -6.864   9.133
  690    HD2  TYR  82           HD2      TYR  82 102.917  -3.191   7.207
  691    HE1  TYR  82           HE1      TYR  82 103.487  -6.458  10.901
  692    HE2  TYR  82           HE2      TYR  82 104.617  -2.787   8.974
  693    HH   TYR  82           HH       TYR  82 104.948  -3.498  11.401
  694    H    TRP  83           HN       TRP  83  98.831  -5.986   5.498
  695    HA   TRP  83           HA       TRP  83  98.698  -4.046   3.494
  696    HB2  TRP  83           HB2      TRP  83  98.382  -6.329   2.893
  697    HB3  TRP  83           HB1      TRP  83  97.016  -6.500   3.993
  698    HD1  TRP  83           HD1      TRP  83  97.931  -4.219   0.992
  699    HE1  TRP  83           HE1      TRP  83  95.812  -3.898  -0.439
  700    HE3  TRP  83           HE3      TRP  83  94.588  -6.921   3.749
  701    HZ2  TRP  83           HZ2      TRP  83  93.061  -4.684  -0.418
  702    HZ3  TRP  83           HZ3      TRP  83  92.228  -7.118   3.022
  703    HH2  TRP  83           HH2      TRP  83  91.460  -6.004   0.944
  704    H    ASN  84           HN       ASN  84  96.363  -4.853   6.022
  705    HA   ASN  84           HA       ASN  84  94.235  -3.273   5.082
  706    HB2  ASN  84           HB2      ASN  84  94.417  -5.012   7.072
  707    HB3  ASN  84           HB1      ASN  84  94.747  -3.573   8.020
  708   HD21  ASN  84          HD21      ASN  84  92.216  -5.518   7.184
  709   HD22  ASN  84          HD22      ASN  84  90.958  -4.379   7.212
  710    H    LEU  85           HN       LEU  85  96.671  -2.480   7.600
  711    HA   LEU  85           HA       LEU  85  95.808   0.152   7.951
  712    HB2  LEU  85           HB2      LEU  85  97.200  -1.006   9.577
  713    HB3  LEU  85           HB1      LEU  85  98.529  -1.076   8.420
  714    HG   LEU  85           HG       LEU  85  98.636   1.383   8.342
  715   HD11  LEU  85          HD11      LEU  85  96.192   1.089  10.051
  716   HD12  LEU  85          HD12      LEU  85  96.517   2.239   8.755
  717   HD13  LEU  85          HD13      LEU  85  97.252   2.468  10.343
  718   HD21  LEU  85          HD21      LEU  85  99.899   1.507  10.223
  719   HD22  LEU  85          HD22      LEU  85  99.545  -0.210  10.349
  720   HD23  LEU  85          HD23      LEU  85  98.598   0.956  11.271
  721    H    ILE  86           HN       ILE  86  98.462  -1.190   5.999
  722    HA   ILE  86           HA       ILE  86  99.406   1.243   4.988
  723    HB   ILE  86           HB       ILE  86  99.775  -1.593   4.393
  724   HG12  ILE  86          HG12      ILE  86 101.738   0.605   3.819
  725   HG13  ILE  86          HG11      ILE  86 101.329   0.247   5.498
  726   HG21  ILE  86          HG21      ILE  86 100.741  -1.125   2.118
  727   HG22  ILE  86          HG22      ILE  86  99.926   0.428   2.153
  728   HG23  ILE  86          HG23      ILE  86  98.982  -1.062   2.181
  729   HD11  ILE  86          HD11      ILE  86 103.321  -1.017   4.376
  730   HD12  ILE  86          HD12      ILE  86 102.050  -1.992   3.632
  731   HD13  ILE  86          HD13      ILE  86 102.188  -1.912   5.389
  732    H    LYS  87           HN       LYS  87  96.897  -0.939   3.823
  733    HA   LYS  87           HA       LYS  87  96.420   0.140   1.328
  734    HB2  LYS  87           HB2      LYS  87  95.193  -1.782   1.763
  735    HB3  LYS  87           HB1      LYS  87  94.676  -1.212   3.351
  736    HG2  LYS  87           HG2      LYS  87  93.084   0.293   2.422
  737    HG3  LYS  87           HG1      LYS  87  93.788   0.156   0.804
  738    HD2  LYS  87           HD2      LYS  87  93.107  -2.247   0.770
  739    HD3  LYS  87           HD1      LYS  87  92.328  -2.016   2.336
  740    HE2  LYS  87           HE2      LYS  87  90.852  -0.303   1.371
  741    HE3  LYS  87           HE1      LYS  87  91.651  -0.482  -0.191
  742    HZ1  LYS  87           HZ1      LYS  87  89.875  -1.872  -0.447
  743    HZ2  LYS  87           HZ2      LYS  87  89.835  -2.326   1.190
  744    HZ3  LYS  87           HZ3      LYS  87  91.020  -2.969   0.156
  745    H    GLU  88           HN       GLU  88  95.031   1.150   4.460
  746    HA   GLU  88           HA       GLU  88  93.689   3.377   3.209
  747    HB2  GLU  88           HB2      GLU  88  92.506   3.539   5.163
  748    HB3  GLU  88           HB1      GLU  88  93.068   1.878   5.335
  749    HG2  GLU  88           HG2      GLU  88  93.633   2.797   7.399
  750    HG3  GLU  88           HG1      GLU  88  95.139   2.944   6.510
  751    H    LEU  89           HN       LEU  89  96.749   2.754   4.602
  752    HA   LEU  89           HA       LEU  89  97.314   5.173   5.838
  753    HB2  LEU  89           HB2      LEU  89  98.710   3.105   5.959
  754    HB3  LEU  89           HB1      LEU  89  99.265   3.418   4.326
  755    HG   LEU  89           HG       LEU  89 100.136   5.593   5.085
  756   HD11  LEU  89          HD11      LEU  89 100.403   5.515   7.766
  757   HD12  LEU  89          HD12      LEU  89  98.837   4.723   7.602
  758   HD13  LEU  89          HD13      LEU  89  99.074   6.348   6.963
  759   HD21  LEU  89          HD21      LEU  89 101.160   3.007   5.692
  760   HD22  LEU  89          HD22      LEU  89 101.607   4.101   7.000
  761   HD23  LEU  89          HD23      LEU  89 102.059   4.484   5.339
  762    H    ILE  90           HN       ILE  90  97.689   4.153   2.482
  763    HA   ILE  90           HA       ILE  90  99.042   6.438   1.573
  764    HB   ILE  90           HB       ILE  90  97.215   4.492   0.130
  765   HG12  ILE  90          HG12      ILE  90 100.218   4.859   0.309
  766   HG13  ILE  90          HG11      ILE  90  99.288   3.539   0.993
  767   HG21  ILE  90          HG21      ILE  90  97.156   6.557  -1.146
  768   HG22  ILE  90          HG22      ILE  90  98.282   5.491  -1.964
  769   HG23  ILE  90          HG23      ILE  90  98.888   6.797  -0.946
  770   HD11  ILE  90          HD11      ILE  90  99.992   4.063  -1.868
  771   HD12  ILE  90          HD12      ILE  90  98.444   3.296  -1.530
  772   HD13  ILE  90          HD13      ILE  90  99.939   2.531  -1.001
  773    H    ASP  91           HN       ASP  91  95.577   5.680   1.802
  774    HA   ASP  91           HA       ASP  91  94.543   7.911   0.478
  775    HB2  ASP  91           HB2      ASP  91  93.455   6.261   2.763
  776    HB3  ASP  91           HB1      ASP  91  92.523   7.531   1.972
  777    H    LYS  92           HN       LYS  92  96.196   7.704   3.467
  778    HA   LYS  92           HA       LYS  92  95.054   9.877   4.858
  779    HB2  LYS  92           HB2      LYS  92  96.811   8.073   5.613
  780    HB3  LYS  92           HB1      LYS  92  97.984   9.257   5.038
  781    HG2  LYS  92           HG2      LYS  92  97.052  10.959   6.526
  782    HG3  LYS  92           HG1      LYS  92  95.790   9.844   7.049
  783    HD2  LYS  92           HD2      LYS  92  97.470   8.334   7.990
  784    HD3  LYS  92           HD1      LYS  92  98.762   9.399   7.433
  785    HE2  LYS  92           HE2      LYS  92  97.886  11.215   8.848
  786    HE3  LYS  92           HE1      LYS  92  96.583  10.163   9.402
  787    HZ1  LYS  92           HZ1      LYS  92  97.934   9.135  10.819
  788    HZ2  LYS  92           HZ2      LYS  92  99.022  10.416  10.568
  789    HZ3  LYS  92           HZ3      LYS  92  99.178   8.978   9.678
  790    H    LYS  93           HN       LYS  93  95.226  12.016   4.610
  791    HA   LYS  93           HA       LYS  93  96.375  13.146   2.288
  792    HB2  LYS  93           HB2      LYS  93  95.456  14.456   4.860
  793    HB3  LYS  93           HB1      LYS  93  95.857  15.321   3.377
  794    HG2  LYS  93           HG2      LYS  93  93.874  13.076   3.250
  795    HG3  LYS  93           HG1      LYS  93  93.351  14.640   3.872
  796    HD2  LYS  93           HD2      LYS  93  94.181  15.724   1.798
  797    HD3  LYS  93           HD1      LYS  93  94.641  14.145   1.169
  798    HE2  LYS  93           HE2      LYS  93  92.339  13.392   1.209
  799    HE3  LYS  93           HE1      LYS  93  91.826  14.883   2.001
  800    HZ1  LYS  93           HZ1      LYS  93  92.986  14.627  -0.720
  801    HZ2  LYS  93           HZ2      LYS  93  92.647  16.106   0.046
  802    HZ3  LYS  93           HZ3      LYS  93  91.385  15.034  -0.336
  803    H    GLU  94           HN       GLU  94  97.508  12.831   5.599
  804    HA   GLU  94           HA       GLU  94  99.764  14.542   5.332
  805    HB2  GLU  94           HB2      GLU  94  98.674  13.742   7.499
  806    HB3  GLU  94           HB1      GLU  94  99.542  12.226   7.251
  807    HG2  GLU  94           HG2      GLU  94 101.682  13.416   7.222
  808    HG3  GLU  94           HG1      GLU  94 100.845  14.959   7.372
  809    H    VAL  95           HN       VAL  95  99.982  13.262   3.050
  810    HA   VAL  95           HA       VAL  95 101.432  10.816   3.092
  811    HB   VAL  95           HB       VAL  95 101.927  11.344   0.719
  812   HG11  VAL  95          HG11      VAL  95  99.090  11.900   1.625
  813   HG12  VAL  95          HG12      VAL  95  99.788  10.317   1.285
  814   HG13  VAL  95          HG13      VAL  95  99.560  11.478  -0.023
  815   HG21  VAL  95          HG21      VAL  95 100.935  13.463  -0.201
  816   HG22  VAL  95          HG22      VAL  95 102.266  13.760   0.918
  817   HG23  VAL  95          HG23      VAL  95 100.600  13.979   1.453
  818    H    ASN  96           HN       ASN  96 103.598  10.416   3.047
  819    HA   ASN  96           HA       ASN  96 105.324  12.233   4.287
  820    HB2  ASN  96           HB2      ASN  96 105.529   9.561   3.092
  821    HB3  ASN  96           HB1      ASN  96 107.019  10.492   2.975
  822   HD21  ASN  96          HD21      ASN  96 104.464   9.803   5.439
  823   HD22  ASN  96          HD22      ASN  96 105.553   9.656   6.732
  824    HA   PRO  97           HA       PRO  97 106.932  14.912   1.190
  825    HB2  PRO  97           HB2      PRO  97 109.676  14.528   1.518
  826    HB3  PRO  97           HB1      PRO  97 108.671  15.640   2.465
  827    HG2  PRO  97           HG2      PRO  97 109.610  12.900   3.131
  828    HG3  PRO  97           HG1      PRO  97 109.426  14.318   4.180
  829    HD2  PRO  97           HD2      PRO  97 107.646  12.323   4.237
  830    HD3  PRO  97           HD1      PRO  97 107.122  14.010   4.414
  831    H    GLN  98           HN       GLN  98 107.528  11.577   1.113
  832    HA   GLN  98           HA       GLN  98 109.204  11.134  -1.022
  833    HB2  GLN  98           HB2      GLN  98 108.261   9.025  -1.181
  834    HB3  GLN  98           HB1      GLN  98 107.769   9.497   0.445
  835    HG2  GLN  98           HG2      GLN  98 105.673  10.493  -0.770
  836    HG3  GLN  98           HG1      GLN  98 106.142   9.405  -2.081
  837   HE21  GLN  98          HE21      GLN  98 104.022   8.260  -1.540
  838   HE22  GLN  98          HE22      GLN  98 104.015   7.149  -0.256
  839    H    VAL  99           HN       VAL  99 106.267  12.846  -1.047
  840    HA   VAL  99           HA       VAL  99 105.323  12.341  -3.654
  841    HB   VAL  99           HB       VAL  99 105.168  14.856  -1.974
  842   HG11  VAL  99          HG11      VAL  99 104.636  15.626  -4.113
  843   HG12  VAL  99          HG12      VAL  99 103.057  15.118  -3.514
  844   HG13  VAL  99          HG13      VAL  99 103.961  14.075  -4.612
  845   HG21  VAL  99          HG21      VAL  99 102.771  13.928  -1.701
  846   HG22  VAL  99          HG22      VAL  99 104.057  13.108  -0.812
  847   HG23  VAL  99          HG23      VAL  99 103.428  12.406  -2.302
  848    H    MET 100           HN       MET 100 107.578  14.825  -2.459
  849    HA   MET 100           HA       MET 100 108.047  16.024  -4.988
  850    HB2  MET 100           HB2      MET 100 109.590  15.996  -2.399
  851    HB3  MET 100           HB1      MET 100 110.165  16.862  -3.824
  852    HG2  MET 100           HG2      MET 100 108.116  18.182  -3.900
  853    HG3  MET 100           HG1      MET 100 107.439  17.261  -2.560
  854    HE1  MET 100           HE1      MET 100 110.704  20.403  -2.612
  855    HE2  MET 100           HE2      MET 100 110.050  19.443  -3.934
  856    HE3  MET 100           HE3      MET 100 111.294  18.760  -2.891
  857    H    ALA 101           HN       ALA 101 109.671  13.414  -3.218
  858    HA   ALA 101           HA       ALA 101 111.736  13.105  -5.198
  859    HB1  ALA 101           HB1      ALA 101 112.324  11.089  -3.833
  860    HB2  ALA 101           HB2      ALA 101 110.901  11.394  -2.831
  861    HB3  ALA 101           HB3      ALA 101 112.223  12.562  -2.864
  862    H    ALA 102           HN       ALA 102 108.531  12.195  -4.955
  863    HA   ALA 102           HA       ALA 102 108.822   9.724  -6.509
  864    HB1  ALA 102           HB1      ALA 102 107.226   9.582  -4.728
  865    HB2  ALA 102           HB2      ALA 102 106.328   9.595  -6.249
  866    HB3  ALA 102           HB3      ALA 102 106.417  11.054  -5.265
  867    H    VAL 103           HN       VAL 103 108.287  13.050  -7.005
  868    HA   VAL 103           HA       VAL 103 106.716  12.846  -9.397
  869    HB   VAL 103           HB       VAL 103 108.373  15.126  -8.294
  870   HG11  VAL 103          HG11      VAL 103 106.592  16.355  -9.827
  871   HG12  VAL 103          HG12      VAL 103 106.596  14.816 -10.689
  872   HG13  VAL 103          HG13      VAL 103 108.091  15.736 -10.519
  873   HG21  VAL 103          HG21      VAL 103 105.867  13.975  -7.511
  874   HG22  VAL 103          HG22      VAL 103 105.553  15.560  -8.216
  875   HG23  VAL 103          HG23      VAL 103 106.661  15.405  -6.854
  876    H    ALA 104           HN       ALA 104 109.801  11.907  -8.774
  877    HA   ALA 104           HA       ALA 104 111.337  12.983 -10.859
  878    HB1  ALA 104           HB1      ALA 104 111.446  10.378  -9.349
  879    HB2  ALA 104           HB2      ALA 104 112.509  11.778  -9.204
  880    HB3  ALA 104           HB3      ALA 104 112.597  10.747 -10.632
  881    H    GLN 105           HN       GLN 105 109.071  10.278 -10.787
  882    HA   GLN 105           HA       GLN 105 109.143  10.231 -13.731
  883    HB2  GLN 105           HB2      GLN 105 109.329   7.828 -11.905
  884    HB3  GLN 105           HB1      GLN 105 108.964   7.729 -13.628
  885    HG2  GLN 105           HG2      GLN 105 111.089   8.809 -14.174
  886    HG3  GLN 105           HG1      GLN 105 111.451   9.007 -12.461
  887   HE21  GLN 105          HE21      GLN 105 113.401   7.621 -13.605
  888   HE22  GLN 105          HE22      GLN 105 113.248   5.945 -13.383
  889    H    THR 106           HN       THR 106 107.159  10.687 -14.413
  890    HA   THR 106           HA       THR 106 104.855   9.896 -12.743
  891    HB   THR 106           HB       THR 106 103.604  11.605 -14.008
  892    HG1  THR 106           HG1      THR 106 105.526  11.312 -15.715
  893   HG21  THR 106          HG21      THR 106 105.501  12.015 -12.040
  894   HG22  THR 106          HG22      THR 106 104.329  13.213 -12.589
  895   HG23  THR 106          HG23      THR 106 105.956  13.196 -13.267
  896    H    GLU 107           HN       GLU 107 106.563   8.658 -15.189
  897    HA   GLU 107           HA       GLU 107 104.207   7.741 -16.720
  898    HB2  GLU 107           HB2      GLU 107 107.153   7.719 -17.427
  899    HB3  GLU 107           HB1      GLU 107 105.866   7.056 -18.434
  900    HG2  GLU 107           HG2      GLU 107 104.802   9.240 -18.615
  901    HG3  GLU 107           HG1      GLU 107 105.980   9.942 -17.509
  902    H    GLU 108           HN       GLU 108 104.281   5.458 -17.448
  903    HA   GLU 108           HA       GLU 108 104.956   3.733 -15.204
  904    HB2  GLU 108           HB2      GLU 108 103.552   3.219 -17.835
  905    HB3  GLU 108           HB1      GLU 108 103.832   1.977 -16.611
  906    HG2  GLU 108           HG2      GLU 108 102.556   3.268 -14.969
  907    HG3  GLU 108           HG1      GLU 108 102.340   4.576 -16.130
  908    H    ILE 109           HN       ILE 109 106.791   2.615 -15.061
  909    HA   ILE 109           HA       ILE 109 108.908   2.785 -16.846
  910    HB   ILE 109           HB       ILE 109 109.829   0.796 -15.651
  911   HG12  ILE 109          HG12      ILE 109 107.176   0.736 -14.183
  912   HG13  ILE 109          HG11      ILE 109 107.548  -0.364 -15.508
  913   HG21  ILE 109          HG21      ILE 109 109.113   1.855 -13.235
  914   HG22  ILE 109          HG22      ILE 109 108.693   3.185 -14.312
  915   HG23  ILE 109          HG23      ILE 109 110.342   2.557 -14.288
  916   HD11  ILE 109          HD11      ILE 109 109.627  -0.178 -13.417
  917   HD12  ILE 109          HD12      ILE 109 108.997  -1.591 -14.263
  918   HD13  ILE 109          HD13      ILE 109 108.104  -0.906 -12.905
  919    H    LEU 110           HN       LEU 110 106.084   0.804 -16.995
  920    HA   LEU 110           HA       LEU 110 107.041  -1.278 -18.651
  921    HB2  LEU 110           HB2      LEU 110 104.286  -0.054 -18.367
  922    HB3  LEU 110           HB1      LEU 110 104.618  -1.514 -19.296
  923    HG   LEU 110           HG       LEU 110 105.328  -1.169 -16.369
  924   HD11  LEU 110          HD11      LEU 110 103.381  -2.924 -16.200
  925   HD12  LEU 110          HD12      LEU 110 102.865  -2.217 -17.731
  926   HD13  LEU 110          HD13      LEU 110 102.998  -1.205 -16.293
  927   HD21  LEU 110          HD21      LEU 110 105.734  -3.287 -18.410
  928   HD22  LEU 110          HD22      LEU 110 105.122  -3.851 -16.857
  929   HD23  LEU 110          HD23      LEU 110 106.638  -2.954 -16.934
  930    H    LYS 111           HN       LYS 111 105.630   1.892 -19.384
  931    HA   LYS 111           HA       LYS 111 105.555   1.572 -22.189
  932    HB2  LYS 111           HB2      LYS 111 104.281   3.301 -20.932
  933    HB3  LYS 111           HB1      LYS 111 105.798   4.154 -20.635
  934    HG2  LYS 111           HG2      LYS 111 106.164   4.388 -23.052
  935    HG3  LYS 111           HG1      LYS 111 104.685   3.484 -23.387
  936    HD2  LYS 111           HD2      LYS 111 103.372   5.218 -22.195
  937    HD3  LYS 111           HD1      LYS 111 104.855   6.127 -21.902
  938    HE2  LYS 111           HE2      LYS 111 105.219   6.300 -24.348
  939    HE3  LYS 111           HE1      LYS 111 103.709   5.431 -24.620
  940    HZ1  LYS 111           HZ1      LYS 111 102.588   7.208 -23.320
  941    HZ2  LYS 111           HZ2      LYS 111 103.263   7.744 -24.784
  942    HZ3  LYS 111           HZ3      LYS 111 104.048   8.071 -23.312
  943    H    SER 112           HN       SER 112 108.037   2.635 -19.947
  944    HA   SER 112           HA       SER 112 109.798   3.857 -21.729
  945    HB2  SER 112           HB2      SER 112 110.379   2.249 -19.238
  946    HB3  SER 112           HB1      SER 112 111.572   3.232 -20.077
  947    HG   SER 112           HG       SER 112 109.454   3.963 -18.467
  948    H    ASN 113           HN       ASN 113 109.613   0.455 -20.724
  949    HA   ASN 113           HA       ASN 113 111.768  -0.482 -22.290
  950    HB2  ASN 113           HB2      ASN 113 109.270  -1.958 -21.419
  951    HB3  ASN 113           HB1      ASN 113 110.751  -2.708 -22.010
  952   HD21  ASN 113          HD21      ASN 113 112.288  -0.435 -20.532
  953   HD22  ASN 113          HD22      ASN 113 112.313  -0.973 -18.922
  954    H    SER 114           HN       SER 114 108.283  -0.325 -22.974
  955    HA   SER 114           HA       SER 114 108.779   0.022 -25.788
  956    HB2  SER 114           HB2      SER 114 107.537  -2.005 -26.504
  957    HB3  SER 114           HB1      SER 114 109.052  -2.390 -25.693
  958    HG   SER 114           HG       SER 114 106.819  -3.391 -25.072
  959    H    GLN 115           HN       GLN 115 106.767   0.358 -26.999
  960    HA   GLN 115           HA       GLN 115 104.655   1.419 -25.234
  961    HB2  GLN 115           HB2      GLN 115 105.369   2.038 -28.101
  962    HB3  GLN 115           HB1      GLN 115 103.965   2.700 -27.275
  963    HG2  GLN 115           HG2      GLN 115 105.403   3.735 -25.594
  964    HG3  GLN 115           HG1      GLN 115 106.829   3.010 -26.334
  965   HE21  GLN 115          HE21      GLN 115 107.204   5.603 -26.304
  966   HE22  GLN 115          HE22      GLN 115 106.789   6.376 -27.757
  967    H    THR 116           HN       THR 116 105.200  -1.409 -26.496
  968    HA   THR 116           HA       THR 116 103.008  -1.940 -28.230
  969    HB   THR 116           HB       THR 116 103.468  -4.313 -27.714
  970    HG1  THR 116           HG1      THR 116 105.459  -3.346 -25.960
  971   HG21  THR 116          HG21      THR 116 105.391  -2.348 -28.661
  972   HG22  THR 116          HG22      THR 116 105.041  -3.959 -29.286
  973   HG23  THR 116          HG23      THR 116 106.198  -3.757 -27.971
  974    H    ASP 117           HN       ASP 117 103.239  -1.480 -24.835
  975    HA   ASP 117           HA       ASP 117 100.878  -2.985 -24.139
  976    HB2  ASP 117           HB2      ASP 117 102.620  -1.016 -22.663
  977    HB3  ASP 117           HB1      ASP 117 101.142  -1.663 -21.955
  978    H    LEU 118           HN       LEU 118 101.419   0.440 -23.433
  979    HA   LEU 118           HA       LEU 118  98.676   1.091 -23.564
  980    HB2  LEU 118           HB2      LEU 118 101.208   2.718 -23.541
  981    HB3  LEU 118           HB1      LEU 118  99.640   3.500 -23.724
  982    HG   LEU 118           HG       LEU 118 100.316   1.578 -21.475
  983   HD11  LEU 118          HD11      LEU 118 100.716   4.519 -21.778
  984   HD12  LEU 118          HD12      LEU 118 101.664   3.345 -20.866
  985   HD13  LEU 118          HD13      LEU 118 100.130   3.934 -20.221
  986   HD21  LEU 118          HD21      LEU 118  97.897   3.043 -22.340
  987   HD22  LEU 118          HD22      LEU 118  98.282   3.224 -20.631
  988   HD23  LEU 118          HD23      LEU 118  98.047   1.618 -21.314
  989    H    GLU 119           HN       GLU 119 101.293   1.382 -25.913
  990    HA   GLU 119           HA       GLU 119 101.289   1.855 -28.168
  991    HB2  GLU 119           HB2      GLU 119  98.500   0.701 -27.889
  992    HB3  GLU 119           HB1      GLU 119  99.307   1.010 -29.427
  993    HG2  GLU 119           HG2      GLU 119 101.115  -0.524 -28.820
  994    HG3  GLU 119           HG1      GLU 119 100.381  -0.791 -27.240
  995    H    HIS 120           HN       HIS 120 101.455   4.102 -27.980
  996    HA   HIS 120           HA       HIS 120  98.955   5.553 -28.591
  997    HB2  HIS 120           HB2      HIS 120  99.708   5.858 -26.184
  998    HB3  HIS 120           HB1      HIS 120 101.138   6.665 -26.825
  999    HD1  HIS 120           HD1      HIS 120  97.351   6.971 -26.859
 1000    HD2  HIS 120           HD2      HIS 120 100.720   9.318 -27.580
 1001    HE1  HIS 120           HE1      HIS 120  96.515   9.337 -27.202
 1002    HE2  HIS 120           HE2      HIS 120  98.557  10.780 -27.643
 1003    H    HIS 121           HN       HIS 121  99.138   7.198 -30.074
 1004    HA   HIS 121           HA       HIS 121 101.798   7.525 -31.336
 1005    HB2  HIS 121           HB2      HIS 121  99.074   7.647 -32.653
 1006    HB3  HIS 121           HB1      HIS 121 100.628   7.867 -33.458
 1007    HD1  HIS 121           HD1      HIS 121 102.341   5.698 -33.064
 1008    HD2  HIS 121           HD2      HIS 121  98.244   5.017 -32.691
 1009    HE1  HIS 121           HE1      HIS 121 102.006   3.197 -33.290
 1010    HE2  HIS 121           HE2      HIS 121  99.514   2.766 -33.065
 1011    H    HIS 122           HN       HIS 122 102.379   9.586 -32.047
 1012    HA   HIS 122           HA       HIS 122 100.945  11.765 -30.694
 1013    HB2  HIS 122           HB2      HIS 122 103.701  11.642 -31.940
 1014    HB3  HIS 122           HB1      HIS 122 103.010  13.076 -31.180
 1015    HD1  HIS 122           HD1      HIS 122 101.724  11.957 -28.692
 1016    HD2  HIS 122           HD2      HIS 122 105.456  10.669 -30.033
 1017    HE1  HIS 122           HE1      HIS 122 102.907  10.970 -26.682
 1018    HE2  HIS 122           HE2      HIS 122 105.184  10.181 -27.483
 1019    H    HIS 123           HN       HIS 123 100.014  13.440 -31.765
 1020    HA   HIS 123           HA       HIS 123  99.156  13.119 -34.414
 1021    HB2  HIS 123           HB2      HIS 123  99.331  15.600 -32.695
 1022    HB3  HIS 123           HB1      HIS 123  98.500  15.534 -34.249
 1023    HD1  HIS 123           HD1      HIS 123  96.637  13.469 -34.368
 1024    HD2  HIS 123           HD2      HIS 123  97.685  14.896 -30.593
 1025    HE1  HIS 123           HE1      HIS 123  94.805  12.724 -32.786
 1026    HE2  HIS 123           HE2      HIS 123  95.429  13.586 -30.481
 1027    H    HIS 124           HN       HIS 124 101.747  15.163 -33.079
 1028    HA   HIS 124           HA       HIS 124 102.775  15.530 -35.831
 1029    HB2  HIS 124           HB2      HIS 124 103.124  17.275 -33.383
 1030    HB3  HIS 124           HB1      HIS 124 103.897  17.554 -34.944
 1031    HD1  HIS 124           HD1      HIS 124 102.259  18.044 -36.997
 1032    HD2  HIS 124           HD2      HIS 124 100.464  18.133 -33.236
 1033    HE1  HIS 124           HE1      HIS 124 100.022  19.193 -37.298
 1034    HE2  HIS 124           HE2      HIS 124  98.915  19.255 -35.014
 1035    H    HIS 125           HN       HIS 125 104.576  14.468 -36.294
 1036    HA   HIS 125           HA       HIS 125 106.208  13.389 -34.104
 1037    HB2  HIS 125           HB2      HIS 125 105.605  11.728 -35.702
 1038    HB3  HIS 125           HB1      HIS 125 106.048  12.768 -37.055
 1039    HD1  HIS 125           HD1      HIS 125 107.664  10.960 -34.124
 1040    HD2  HIS 125           HD2      HIS 125 108.715  12.571 -37.822
 1041    HE1  HIS 125           HE1      HIS 125 110.078  10.307 -34.530
 1042    HE2  HIS 125           HE2      HIS 125 110.733  11.282 -36.781
  Start of MODEL   11
    1    H21  MYR   1          1H2       MYR   1 116.558   8.566  -0.681
    2    H22  MYR   1          2H2       MYR   1 115.747   9.385   0.468
    3    H31  MYR   1          1H3       MYR   1 114.192  10.103  -1.289
    4    H32  MYR   1          2H3       MYR   1 114.908   9.022  -2.272
    5    H41  MYR   1          1H4       MYR   1 113.563   7.497  -1.501
    6    H42  MYR   1          2H4       MYR   1 114.287   7.633  -0.049
    7    H51  MYR   1          1H5       MYR   1 112.581   9.678  -0.080
    8    H52  MYR   1          2H5       MYR   1 111.729   8.474  -0.777
    9    H61  MYR   1          1H6       MYR   1 112.665   7.178   1.247
   10    H62  MYR   1          2H6       MYR   1 112.649   8.667   1.906
   11    H71  MYR   1          1H7       MYR   1 110.402   8.801   1.865
   12    H72  MYR   1          2H7       MYR   1 110.260   7.649   0.721
   13    H81  MYR   1          1H8       MYR   1 111.295   6.595   3.061
   14    H82  MYR   1          2H8       MYR   1 109.851   7.300   3.328
   15    H91  MYR   1          1H9       MYR   1 109.514   5.726   1.152
   16    H92  MYR   1          2H9       MYR   1 110.323   4.821   2.239
   17   H101  MYR   1          1H10      MYR   1 108.041   6.191   3.217
   18   H102  MYR   1          2H10      MYR   1 107.748   4.924   2.236
   19   H111  MYR   1          1H11      MYR   1 109.505   3.956   4.012
   20   H112  MYR   1          2H11      MYR   1 108.507   4.868   4.917
   21   H121  MYR   1          1H12      MYR   1 107.174   3.127   4.953
   22   H122  MYR   1          2H12      MYR   1 106.798   3.510   3.416
   23   H131  MYR   1          1H13      MYR   1 108.358   2.001   2.577
   24   H132  MYR   1          2H13      MYR   1 108.987   1.740   4.055
   25   H141  MYR   1          1H14      MYR   1 106.381   0.873   3.154
   26   H142  MYR   1          2H14      MYR   1 107.645  -0.090   3.558
   27   H143  MYR   1          3H14      MYR   1 106.872   0.766   4.713
   28    H    GLY   2           HN       GLY   2 118.273   9.310  -0.956
   29    HA2  GLY   2           HA2      GLY   2 119.890  10.704  -0.083
   30    HA3  GLY   2           HA1      GLY   2 118.820  12.061  -0.414
   31    H    GLN   3           HN       GLN   3 118.771  13.178   1.456
   32    HA   GLN   3           HA       GLN   3 119.002  12.125   4.040
   33    HB2  GLN   3           HB2      GLN   3 119.267  14.540   3.387
   34    HB3  GLN   3           HB1      GLN   3 117.509  14.644   3.278
   35    HG2  GLN   3           HG2      GLN   3 118.140  15.401   5.479
   36    HG3  GLN   3           HG1      GLN   3 117.396  13.815   5.661
   37   HE21  GLN   3          HE21      GLN   3 118.537  12.779   7.313
   38   HE22  GLN   3          HE22      GLN   3 120.231  12.697   7.408
   39    H    GLU   4           HN       GLU   4 116.238  12.468   1.932
   40    HA   GLU   4           HA       GLU   4 114.075  12.367   3.594
   41    HB2  GLU   4           HB2      GLU   4 114.546  10.832   1.042
   42    HB3  GLU   4           HB1      GLU   4 112.980  10.934   1.837
   43    HG2  GLU   4           HG2      GLU   4 112.987  13.360   1.627
   44    HG3  GLU   4           HG1      GLU   4 114.613  13.327   0.945
   45    H    LEU   5           HN       LEU   5 116.538   9.987   3.244
   46    HA   LEU   5           HA       LEU   5 115.413   7.596   3.882
   47    HB2  LEU   5           HB2      LEU   5 117.860   7.993   3.613
   48    HB3  LEU   5           HB1      LEU   5 117.891   8.724   5.214
   49    HG   LEU   5           HG       LEU   5 117.028   6.599   6.183
   50   HD11  LEU   5          HD11      LEU   5 116.933   5.903   3.286
   51   HD12  LEU   5          HD12      LEU   5 115.867   5.406   4.599
   52   HD13  LEU   5          HD13      LEU   5 117.437   4.632   4.396
   53   HD21  LEU   5          HD21      LEU   5 119.100   5.405   6.053
   54   HD22  LEU   5          HD22      LEU   5 119.502   7.115   5.904
   55   HD23  LEU   5          HD23      LEU   5 119.469   6.089   4.470
   56    H    SER   6           HN       SER   6 115.816  10.364   6.007
   57    HA   SER   6           HA       SER   6 115.273   9.160   8.480
   58    HB2  SER   6           HB2      SER   6 114.532  11.417   9.185
   59    HB3  SER   6           HB1      SER   6 116.058  11.462   8.307
   60    HG   SER   6           HG       SER   6 113.453  12.052   7.338
   61    H    GLN   7           HN       GLN   7 113.145  10.129   5.868
   62    HA   GLN   7           HA       GLN   7 110.671  10.126   7.147
   63    HB2  GLN   7           HB2      GLN   7 111.410   9.198   4.359
   64    HB3  GLN   7           HB1      GLN   7 109.757   9.450   4.916
   65    HG2  GLN   7           HG2      GLN   7 110.208  11.795   5.365
   66    HG3  GLN   7           HG1      GLN   7 111.913  11.577   4.971
   67   HE21  GLN   7          HE21      GLN   7 111.008  13.460   3.400
   68   HE22  GLN   7          HE22      GLN   7 110.530  12.914   1.866
   69    H    HIS   8           HN       HIS   8 112.566   7.409   5.848
   70    HA   HIS   8           HA       HIS   8 110.649   5.386   6.322
   71    HB2  HIS   8           HB2      HIS   8 112.627   5.065   4.881
   72    HB3  HIS   8           HB1      HIS   8 113.672   5.184   6.297
   73    HD1  HIS   8           HD1      HIS   8 110.686   3.089   5.159
   74    HD2  HIS   8           HD2      HIS   8 114.135   2.731   7.475
   75    HE1  HIS   8           HE1      HIS   8 110.797   0.673   5.908
   76    HE2  HIS   8           HE2      HIS   8 112.894   0.438   7.322
   77    H    GLU   9           HN       GLU   9 113.388   6.562   8.279
   78    HA   GLU   9           HA       GLU   9 113.307   4.849  10.424
   79    HB2  GLU   9           HB2      GLU   9 113.684   7.847  10.444
   80    HB3  GLU   9           HB1      GLU   9 114.012   6.813  11.825
   81    HG2  GLU   9           HG2      GLU   9 115.636   5.531  10.491
   82    HG3  GLU   9           HG1      GLU   9 115.298   6.550   9.092
   83    H    ARG  10           HN       ARG  10 111.049   7.416   9.645
   84    HA   ARG  10           HA       ARG  10 109.608   7.241  12.153
   85    HB2  ARG  10           HB2      ARG  10 108.583   8.430   9.576
   86    HB3  ARG  10           HB1      ARG  10 108.103   8.826  11.219
   87    HG2  ARG  10           HG2      ARG  10 110.414   9.638  11.691
   88    HG3  ARG  10           HG1      ARG  10 110.825   9.345  10.006
   89    HD2  ARG  10           HD2      ARG  10 109.050  10.907   9.296
   90    HD3  ARG  10           HD1      ARG  10 108.661  11.219  10.985
   91    HE   ARG  10           HE       ARG  10 111.409  11.724  10.570
   92   HH11  ARG  10          HH11      ARG  10 112.096  13.880  10.366
   93   HH12  ARG  10          HH12      ARG  10 110.954  15.109   9.939
   94   HH21  ARG  10          HH21      ARG  10 108.270  12.923   9.744
   95   HH22  ARG  10          HH22      ARG  10 108.788  14.568   9.587
   96    H    TYR  11           HN       TYR  11 109.038   6.164   8.817
   97    HA   TYR  11           HA       TYR  11 106.543   5.008   9.073
   98    HB2  TYR  11           HB2      TYR  11 107.577   5.084   6.914
   99    HB3  TYR  11           HB1      TYR  11 108.934   4.098   7.460
  100    HD1  TYR  11           HD1      TYR  11 105.268   4.065   6.820
  101    HD2  TYR  11           HD2      TYR  11 108.805   1.724   7.480
  102    HE1  TYR  11           HE1      TYR  11 104.022   2.005   6.214
  103    HE2  TYR  11           HE2      TYR  11 107.563  -0.330   6.867
  104    HH   TYR  11           HH       TYR  11 105.644  -1.060   5.768
  105    H    VAL  12           HN       VAL  12 109.702   3.550   9.815
  106    HA   VAL  12           HA       VAL  12 108.712   0.998  10.580
  107    HB   VAL  12           HB       VAL  12 111.240   2.526  11.168
  108   HG11  VAL  12          HG11      VAL  12 111.948   0.172  12.101
  109   HG12  VAL  12          HG12      VAL  12 110.223  -0.019  12.401
  110   HG13  VAL  12          HG13      VAL  12 111.104   1.307  13.158
  111   HG21  VAL  12          HG21      VAL  12 112.106   1.251   9.483
  112   HG22  VAL  12          HG22      VAL  12 110.427   1.056   9.008
  113   HG23  VAL  12          HG23      VAL  12 111.211  -0.194   9.977
  114    H    GLU  13           HN       GLU  13 109.493   3.895  12.495
  115    HA   GLU  13           HA       GLU  13 108.760   2.759  15.002
  116    HB2  GLU  13           HB2      GLU  13 110.184   4.761  14.812
  117    HB3  GLU  13           HB1      GLU  13 108.820   5.666  14.153
  118    HG2  GLU  13           HG2      GLU  13 107.560   5.352  16.216
  119    HG3  GLU  13           HG1      GLU  13 108.837   4.330  16.874
  120    H    GLN  14           HN       GLN  14 106.986   4.636  12.585
  121    HA   GLN  14           HA       GLN  14 104.615   4.856  14.131
  122    HB2  GLN  14           HB2      GLN  14 105.233   6.423  12.278
  123    HB3  GLN  14           HB1      GLN  14 104.930   5.113  11.132
  124    HG2  GLN  14           HG2      GLN  14 102.952   6.553  11.315
  125    HG3  GLN  14           HG1      GLN  14 102.593   4.948  11.980
  126   HE21  GLN  14          HE21      GLN  14 101.171   5.365  13.702
  127   HE22  GLN  14          HE22      GLN  14 101.479   6.478  14.946
  128    H    LEU  15           HN       LEU  15 104.935   3.265  10.980
  129    HA   LEU  15           HA       LEU  15 102.753   1.715  10.931
  130    HB2  LEU  15           HB2      LEU  15 104.949   1.732   9.401
  131    HB3  LEU  15           HB1      LEU  15 105.292   0.259  10.308
  132    HG   LEU  15           HG       LEU  15 104.062  -0.318   8.275
  133   HD11  LEU  15          HD11      LEU  15 102.368  -1.636   9.260
  134   HD12  LEU  15          HD12      LEU  15 102.043  -0.444  10.509
  135   HD13  LEU  15          HD13      LEU  15 103.528  -1.392  10.559
  136   HD21  LEU  15          HD21      LEU  15 101.556   1.002   9.016
  137   HD22  LEU  15          HD22      LEU  15 102.359   0.935   7.453
  138   HD23  LEU  15          HD23      LEU  15 102.832   2.148   8.638
  139    H    LYS  16           HN       LYS  16 105.758   0.703  12.556
  140    HA   LYS  16           HA       LYS  16 104.763  -1.710  13.612
  141    HB2  LYS  16           HB2      LYS  16 106.906   0.110  14.743
  142    HB3  LYS  16           HB1      LYS  16 106.651  -1.564  15.180
  143    HG2  LYS  16           HG2      LYS  16 107.118  -0.720  12.315
  144    HG3  LYS  16           HG1      LYS  16 108.446  -1.115  13.417
  145    HD2  LYS  16           HD2      LYS  16 108.156  -3.262  12.902
  146    HD3  LYS  16           HD1      LYS  16 106.565  -3.203  13.650
  147    HE2  LYS  16           HE2      LYS  16 106.300  -3.979  11.380
  148    HE3  LYS  16           HE1      LYS  16 105.626  -2.354  11.501
  149    HZ1  LYS  16           HZ1      LYS  16 108.448  -2.614  10.785
  150    HZ2  LYS  16           HZ2      LYS  16 107.304  -1.459  10.291
  151    HZ3  LYS  16           HZ3      LYS  16 107.300  -3.013   9.605
  152    H    GLN  17           HN       GLN  17 104.684   1.579  14.821
  153    HA   GLN  17           HA       GLN  17 103.630   0.952  17.413
  154    HB2  GLN  17           HB2      GLN  17 103.931   3.430  15.797
  155    HB3  GLN  17           HB1      GLN  17 102.818   3.461  17.153
  156    HG2  GLN  17           HG2      GLN  17 104.548   2.836  18.685
  157    HG3  GLN  17           HG1      GLN  17 105.665   2.466  17.375
  158   HE21  GLN  17          HE21      GLN  17 106.937   4.166  18.832
  159   HE22  GLN  17          HE22      GLN  17 106.763   5.789  18.366
  160    H    ALA  18           HN       ALA  18 102.053   2.373  14.539
  161    HA   ALA  18           HA       ALA  18  99.428   2.284  15.417
  162    HB1  ALA  18           HB1      ALA  18  98.816   2.692  13.224
  163    HB2  ALA  18           HB2      ALA  18 100.023   1.583  12.572
  164    HB3  ALA  18           HB3      ALA  18 100.515   3.166  13.175
  165    H    LEU  19           HN       LEU  19 101.520  -0.276  14.740
  166    HA   LEU  19           HA       LEU  19  99.423  -2.225  14.160
  167    HB2  LEU  19           HB2      LEU  19 102.383  -2.253  14.220
  168    HB3  LEU  19           HB1      LEU  19 101.589  -3.780  14.568
  169    HG   LEU  19           HG       LEU  19 100.898  -2.061  12.170
  170   HD11  LEU  19          HD11      LEU  19 102.361  -3.388  10.841
  171   HD12  LEU  19          HD12      LEU  19 102.599  -4.559  12.136
  172   HD13  LEU  19          HD13      LEU  19 103.319  -2.958  12.254
  173   HD21  LEU  19          HD21      LEU  19  99.262  -3.586  11.873
  174   HD22  LEU  19          HD22      LEU  19  99.719  -4.365  13.383
  175   HD23  LEU  19          HD23      LEU  19 100.451  -4.886  11.871
  176    H    LYS  20           HN       LYS  20 101.821  -1.705  16.741
  177    HA   LYS  20           HA       LYS  20 101.160  -3.683  18.496
  178    HB2  LYS  20           HB2      LYS  20 102.951  -1.995  18.860
  179    HB3  LYS  20           HB1      LYS  20 101.709  -0.816  19.280
  180    HG2  LYS  20           HG2      LYS  20 100.959  -2.249  21.139
  181    HG3  LYS  20           HG1      LYS  20 102.181  -3.447  20.711
  182    HD2  LYS  20           HD2      LYS  20 103.959  -1.784  21.124
  183    HD3  LYS  20           HD1      LYS  20 102.736  -0.589  21.561
  184    HE2  LYS  20           HE2      LYS  20 101.985  -2.017  23.418
  185    HE3  LYS  20           HE1      LYS  20 103.181  -3.236  22.976
  186    HZ1  LYS  20           HZ1      LYS  20 103.569  -0.605  24.205
  187    HZ2  LYS  20           HZ2      LYS  20 104.788  -1.200  23.184
  188    HZ3  LYS  20           HZ3      LYS  20 104.321  -2.084  24.558
  189    H    THR  21           HN       THR  21  99.486  -0.599  18.054
  190    HA   THR  21           HA       THR  21  97.613  -0.949  20.157
  191    HB   THR  21           HB       THR  21  97.928   1.258  19.308
  192    HG1  THR  21           HG1      THR  21  95.456   0.132  18.519
  193   HG21  THR  21          HG21      THR  21  97.301   1.776  16.911
  194   HG22  THR  21          HG22      THR  21  97.220   0.037  16.636
  195   HG23  THR  21          HG23      THR  21  98.748   0.788  17.095
  196    H    ARG  22           HN       ARG  22  97.727  -2.039  16.841
  197    HA   ARG  22           HA       ARG  22  94.958  -2.777  16.697
  198    HB2  ARG  22           HB2      ARG  22  97.358  -3.071  14.968
  199    HB3  ARG  22           HB1      ARG  22  96.054  -4.226  14.721
  200    HG2  ARG  22           HG2      ARG  22  95.392  -1.308  14.946
  201    HG3  ARG  22           HG1      ARG  22  96.048  -1.921  13.424
  202    HD2  ARG  22           HD2      ARG  22  93.623  -3.065  14.848
  203    HD3  ARG  22           HD1      ARG  22  93.561  -1.977  13.471
  204    HE   ARG  22           HE       ARG  22  94.326  -4.793  13.433
  205   HH11  ARG  22          HH11      ARG  22  94.537  -5.676  11.352
  206   HH12  ARG  22          HH12      ARG  22  94.559  -4.630   9.972
  207   HH21  ARG  22          HH21      ARG  22  94.217  -1.725  11.833
  208   HH22  ARG  22          HH22      ARG  22  94.377  -2.394  10.245
  209    H    GLY  23           HN       GLY  23  96.934  -3.855  18.815
  210    HA2  GLY  23           HA2      GLY  23  96.804  -5.789  20.145
  211    HA3  GLY  23           HA1      GLY  23  95.743  -6.497  18.931
  212    H    VAL  24           HN       VAL  24  98.776  -5.118  17.960
  213    HA   VAL  24           HA       VAL  24  99.759  -7.826  17.352
  214    HB   VAL  24           HB       VAL  24 100.630  -5.193  16.153
  215   HG11  VAL  24          HG11      VAL  24 101.380  -6.939  14.338
  216   HG12  VAL  24          HG12      VAL  24 101.309  -8.082  15.676
  217   HG13  VAL  24          HG13      VAL  24 102.382  -6.686  15.764
  218   HG21  VAL  24          HG21      VAL  24  99.341  -6.554  14.163
  219   HG22  VAL  24          HG22      VAL  24  98.563  -5.328  15.169
  220   HG23  VAL  24          HG23      VAL  24  98.383  -7.037  15.565
  221    H    LYS  25           HN       LYS  25 102.236  -7.953  17.295
  222    HA   LYS  25           HA       LYS  25 103.420  -6.374  19.477
  223    HB2  LYS  25           HB2      LYS  25 103.561  -9.370  19.122
  224    HB3  LYS  25           HB1      LYS  25 104.601  -8.461  20.219
  225    HG2  LYS  25           HG2      LYS  25 102.613  -7.603  21.401
  226    HG3  LYS  25           HG1      LYS  25 101.569  -8.510  20.304
  227    HD2  LYS  25           HD2      LYS  25 102.571 -10.619  21.063
  228    HD3  LYS  25           HD1      LYS  25 103.657  -9.733  22.133
  229    HE2  LYS  25           HE2      LYS  25 101.714  -8.832  23.362
  230    HE3  LYS  25           HE1      LYS  25 100.628  -9.724  22.296
  231    HZ1  LYS  25           HZ1      LYS  25 101.866 -11.769  23.018
  232    HZ2  LYS  25           HZ2      LYS  25 100.906 -11.035  24.212
  233    HZ3  LYS  25           HZ3      LYS  25 102.591 -10.822  24.223
  234    H    VAL  26           HN       VAL  26 105.483  -5.701  19.122
  235    HA   VAL  26           HA       VAL  26 106.817  -6.687  16.672
  236    HB   VAL  26           HB       VAL  26 107.132  -3.876  17.711
  237   HG11  VAL  26          HG11      VAL  26 107.939  -3.437  15.518
  238   HG12  VAL  26          HG12      VAL  26 107.337  -4.976  14.908
  239   HG13  VAL  26          HG13      VAL  26 108.705  -4.932  16.015
  240   HG21  VAL  26          HG21      VAL  26 105.446  -3.504  15.675
  241   HG22  VAL  26          HG22      VAL  26 104.855  -3.750  17.313
  242   HG23  VAL  26          HG23      VAL  26 104.876  -5.093  16.170
  243    H    LYS  27           HN       LYS  27 108.266  -8.060  17.580
  244    HA   LYS  27           HA       LYS  27 109.906  -7.147  19.828
  245    HB2  LYS  27           HB2      LYS  27 108.937  -9.548  19.545
  246    HB3  LYS  27           HB1      LYS  27 110.258  -9.763  18.395
  247    HG2  LYS  27           HG2      LYS  27 111.531  -8.598  20.549
  248    HG3  LYS  27           HG1      LYS  27 110.315  -9.579  21.334
  249    HD2  LYS  27           HD2      LYS  27 112.232 -10.592  19.208
  250    HD3  LYS  27           HD1      LYS  27 112.456 -10.804  20.945
  251    HE2  LYS  27           HE2      LYS  27 110.135 -11.884  20.973
  252    HE3  LYS  27           HE1      LYS  27 110.250 -11.936  19.215
  253    HZ1  LYS  27           HZ1      LYS  27 111.937 -13.305  21.211
  254    HZ2  LYS  27           HZ2      LYS  27 112.491 -13.044  19.625
  255    HZ3  LYS  27           HZ3      LYS  27 111.092 -13.969  19.898
  256    H    TYR  28           HN       TYR  28 112.319  -7.492  19.662
  257    HA   TYR  28           HA       TYR  28 113.470  -5.921  17.710
  258    HB2  TYR  28           HB2      TYR  28 114.620  -6.511  19.787
  259    HB3  TYR  28           HB1      TYR  28 114.721  -8.196  19.273
  260    HD1  TYR  28           HD1      TYR  28 116.502  -8.937  17.910
  261    HD2  TYR  28           HD2      TYR  28 115.723  -4.731  18.300
  262    HE1  TYR  28           HE1      TYR  28 118.595  -8.435  16.678
  263    HE2  TYR  28           HE2      TYR  28 117.815  -4.229  17.067
  264    HH   TYR  28           HH       TYR  28 119.271  -5.808  15.200
  265    H    ALA  29           HN       ALA  29 113.164  -9.464  17.797
  266    HA   ALA  29           HA       ALA  29 114.504  -9.973  15.365
  267    HB1  ALA  29           HB1      ALA  29 114.075 -12.127  15.841
  268    HB2  ALA  29           HB2      ALA  29 112.342 -11.836  15.984
  269    HB3  ALA  29           HB3      ALA  29 113.405 -11.523  17.356
  270    H    ASP  30           HN       ASP  30 111.417  -8.702  16.071
  271    HA   ASP  30           HA       ASP  30 110.018  -9.511  13.705
  272    HB2  ASP  30           HB2      ASP  30 109.078  -8.534  15.922
  273    HB3  ASP  30           HB1      ASP  30 109.413  -6.976  15.175
  274    H    LEU  31           HN       LEU  31 111.821  -6.589  14.589
  275    HA   LEU  31           HA       LEU  31 111.380  -5.200  12.126
  276    HB2  LEU  31           HB2      LEU  31 113.445  -5.012  14.333
  277    HB3  LEU  31           HB1      LEU  31 113.597  -4.038  12.870
  278    HG   LEU  31           HG       LEU  31 111.069  -3.447  13.359
  279   HD11  LEU  31          HD11      LEU  31 110.546  -3.429  15.741
  280   HD12  LEU  31          HD12      LEU  31 112.128  -4.109  16.127
  281   HD13  LEU  31          HD13      LEU  31 110.937  -5.079  15.266
  282   HD21  LEU  31          HD21      LEU  31 111.879  -1.559  14.822
  283   HD22  LEU  31          HD22      LEU  31 112.790  -1.768  13.327
  284   HD23  LEU  31          HD23      LEU  31 113.458  -2.345  14.855
  285    H    LEU  32           HN       LEU  32 113.925  -7.436  13.213
  286    HA   LEU  32           HA       LEU  32 115.663  -7.153  11.036
  287    HB2  LEU  32           HB2      LEU  32 115.051  -9.725  12.511
  288    HB3  LEU  32           HB1      LEU  32 116.549  -9.319  11.667
  289    HG   LEU  32           HG       LEU  32 115.455  -7.852  14.088
  290   HD11  LEU  32          HD11      LEU  32 118.087  -9.109  14.296
  291   HD12  LEU  32          HD12      LEU  32 116.814 -10.286  13.977
  292   HD13  LEU  32          HD13      LEU  32 116.706  -9.226  15.384
  293   HD21  LEU  32          HD21      LEU  32 117.684  -7.347  12.168
  294   HD22  LEU  32          HD22      LEU  32 118.015  -7.049  13.872
  295   HD23  LEU  32          HD23      LEU  32 116.693  -6.200  13.069
  296    H    LYS  33           HN       LYS  33 112.882  -9.322  11.441
  297    HA   LYS  33           HA       LYS  33 113.187 -10.526   8.864
  298    HB2  LYS  33           HB2      LYS  33 112.063 -11.668  10.756
  299    HB3  LYS  33           HB1      LYS  33 110.765 -10.478  10.679
  300    HG2  LYS  33           HG2      LYS  33 110.231 -11.159   8.387
  301    HG3  LYS  33           HG1      LYS  33 111.574 -12.301   8.396
  302    HD2  LYS  33           HD2      LYS  33 110.520 -13.540  10.246
  303    HD3  LYS  33           HD1      LYS  33 109.178 -12.394  10.255
  304    HE2  LYS  33           HE2      LYS  33 108.643 -13.013   7.921
  305    HE3  LYS  33           HE1      LYS  33 109.971 -14.173   7.927
  306    HZ1  LYS  33           HZ1      LYS  33 108.789 -15.632   9.111
  307    HZ2  LYS  33           HZ2      LYS  33 107.432 -14.727   8.636
  308    HZ3  LYS  33           HZ3      LYS  33 108.156 -14.448  10.147
  309    H    PHE  34           HN       PHE  34 110.851  -8.193  10.205
  310    HA   PHE  34           HA       PHE  34 109.450  -7.763   7.801
  311    HB2  PHE  34           HB2      PHE  34 108.720  -7.108  10.141
  312    HB3  PHE  34           HB1      PHE  34 109.809  -5.728  10.003
  313    HD1  PHE  34           HD1      PHE  34 109.247  -3.821   8.673
  314    HD2  PHE  34           HD2      PHE  34 106.826  -7.366   8.508
  315    HE1  PHE  34           HE1      PHE  34 107.521  -2.586   7.396
  316    HE2  PHE  34           HE2      PHE  34 105.099  -6.127   7.230
  317    HZ   PHE  34           HZ       PHE  34 105.447  -3.735   6.674
  318    H    PHE  35           HN       PHE  35 112.315  -6.252   9.137
  319    HA   PHE  35           HA       PHE  35 112.419  -4.094   7.230
  320    HB2  PHE  35           HB2      PHE  35 113.532  -4.256   9.568
  321    HB3  PHE  35           HB1      PHE  35 114.826  -5.101   8.721
  322    HD1  PHE  35           HD1      PHE  35 113.582  -1.968   9.757
  323    HD2  PHE  35           HD2      PHE  35 115.578  -3.885   6.456
  324    HE1  PHE  35           HE1      PHE  35 114.450   0.234   8.966
  325    HE2  PHE  35           HE2      PHE  35 116.421  -1.693   5.679
  326    HZ   PHE  35           HZ       PHE  35 115.858   0.368   6.935
  327    H    ASP  36           HN       ASP  36 114.098  -7.205   7.626
  328    HA   ASP  36           HA       ASP  36 115.674  -6.945   5.246
  329    HB2  ASP  36           HB2      ASP  36 114.979  -9.337   6.946
  330    HB3  ASP  36           HB1      ASP  36 116.074  -9.409   5.570
  331    H    PHE  37           HN       PHE  37 112.436  -7.925   5.895
  332    HA   PHE  37           HA       PHE  37 112.006  -9.638   3.685
  333    HB2  PHE  37           HB2      PHE  37 110.396  -8.335   5.734
  334    HB3  PHE  37           HB1      PHE  37 109.576  -8.373   4.184
  335    HD1  PHE  37           HD1      PHE  37 108.042 -10.140   4.185
  336    HD2  PHE  37           HD2      PHE  37 111.975 -10.761   5.797
  337    HE1  PHE  37           HE1      PHE  37 107.535 -12.545   4.501
  338    HE2  PHE  37           HE2      PHE  37 111.466 -13.164   6.116
  339    HZ   PHE  37           HZ       PHE  37 109.246 -14.058   5.466
  340    H    VAL  38           HN       VAL  38 111.023  -6.233   4.128
  341    HA   VAL  38           HA       VAL  38 110.347  -5.900   1.363
  342    HB   VAL  38           HB       VAL  38 110.456  -3.403   2.049
  343   HG11  VAL  38          HG11      VAL  38 108.428  -3.998   3.737
  344   HG12  VAL  38          HG12      VAL  38 108.623  -5.564   2.950
  345   HG13  VAL  38          HG13      VAL  38 108.281  -4.131   1.985
  346   HG21  VAL  38          HG21      VAL  38 111.878  -4.367   4.155
  347   HG22  VAL  38          HG22      VAL  38 110.262  -4.344   4.849
  348   HG23  VAL  38          HG23      VAL  38 110.965  -2.864   4.210
  349    H    LYS  39           HN       LYS  39 113.206  -5.168   3.298
  350    HA   LYS  39           HA       LYS  39 114.619  -3.609   1.438
  351    HB2  LYS  39           HB2      LYS  39 115.280  -3.984   3.823
  352    HB3  LYS  39           HB1      LYS  39 115.796  -5.608   3.379
  353    HG2  LYS  39           HG2      LYS  39 117.407  -4.699   1.779
  354    HG3  LYS  39           HG1      LYS  39 116.864  -3.061   2.142
  355    HD2  LYS  39           HD2      LYS  39 117.583  -3.327   4.479
  356    HD3  LYS  39           HD1      LYS  39 118.110  -4.974   4.138
  357    HE2  LYS  39           HE2      LYS  39 120.090  -3.684   3.972
  358    HE3  LYS  39           HE1      LYS  39 119.585  -3.926   2.299
  359    HZ1  LYS  39           HZ1      LYS  39 118.660  -1.568   3.801
  360    HZ2  LYS  39           HZ2      LYS  39 118.824  -1.774   2.122
  361    HZ3  LYS  39           HZ3      LYS  39 120.202  -1.571   3.096
  362    H    ASP  40           HN       ASP  40 114.138  -7.078   1.640
  363    HA   ASP  40           HA       ASP  40 116.143  -8.123   0.106
  364    HB2  ASP  40           HB2      ASP  40 114.296  -9.451   1.080
  365    HB3  ASP  40           HB1      ASP  40 113.204  -8.812  -0.147
  366    H    THR  41           HN       THR  41 113.034  -7.003  -1.264
  367    HA   THR  41           HA       THR  41 114.450  -6.493  -3.808
  368    HB   THR  41           HB       THR  41 112.123  -6.654  -4.804
  369    HG1  THR  41           HG1      THR  41 110.540  -7.441  -3.550
  370   HG21  THR  41          HG21      THR  41 112.102  -9.250  -4.342
  371   HG22  THR  41          HG22      THR  41 113.635  -8.911  -3.537
  372   HG23  THR  41          HG23      THR  41 113.432  -8.524  -5.246
  373    H    CYS  42           HN       CYS  42 113.266  -4.947  -1.160
  374    HA   CYS  42           HA       CYS  42 112.316  -2.853  -0.766
  375    HB2  CYS  42           HB2      CYS  42 114.763  -2.510  -1.265
  376    HB3  CYS  42           HB1      CYS  42 114.292  -2.078  -2.909
  377    HG   CYS  42           HG       CYS  42 112.978  -0.036  -1.962
  378    HA   PRO  43           HA       PRO  43 109.730  -2.910  -4.659
  379    HB2  PRO  43           HB2      PRO  43 107.502  -3.360  -2.799
  380    HB3  PRO  43           HB1      PRO  43 107.983  -4.307  -4.219
  381    HG2  PRO  43           HG2      PRO  43 108.285  -5.213  -1.712
  382    HG3  PRO  43           HG1      PRO  43 109.389  -5.643  -3.020
  383    HD2  PRO  43           HD2      PRO  43 109.777  -3.658  -0.800
  384    HD3  PRO  43           HD1      PRO  43 110.919  -4.806  -1.529
  385    H    TRP  44           HN       TRP  44 109.675  -1.305  -1.604
  386    HA   TRP  44           HA       TRP  44 107.640   0.613  -2.179
  387    HB2  TRP  44           HB2      TRP  44 109.584   0.105  -0.044
  388    HB3  TRP  44           HB1      TRP  44 109.274   1.815  -0.316
  389    HD1  TRP  44           HD1      TRP  44 107.119   2.777   0.647
  390    HE1  TRP  44           HE1      TRP  44 105.005   1.789   1.735
  391    HE3  TRP  44           HE3      TRP  44 107.953  -2.195  -0.161
  392    HZ2  TRP  44           HZ2      TRP  44 103.823  -0.774   2.199
  393    HZ3  TRP  44           HZ3      TRP  44 106.318  -3.886   0.614
  394    HH2  TRP  44           HH2      TRP  44 104.250  -3.183   1.791
  395    H    PHE  45           HN       PHE  45 109.903   0.209  -4.153
  396    HA   PHE  45           HA       PHE  45 111.132   1.481  -5.571
  397    HB2  PHE  45           HB2      PHE  45 108.983   3.261  -4.695
  398    HB3  PHE  45           HB1      PHE  45 110.359   4.014  -5.494
  399    HD1  PHE  45           HD1      PHE  45 111.238   2.740  -7.654
  400    HD2  PHE  45           HD2      PHE  45 107.282   2.386  -6.028
  401    HE1  PHE  45           HE1      PHE  45 110.406   1.947  -9.852
  402    HE2  PHE  45           HE2      PHE  45 106.446   1.597  -8.223
  403    HZ   PHE  45           HZ       PHE  45 108.010   1.380 -10.137
  404    HA   PRO  46           HA       PRO  46 114.017   2.831  -2.271
  405    HB2  PRO  46           HB2      PRO  46 116.283   2.230  -3.699
  406    HB3  PRO  46           HB1      PRO  46 115.385   1.055  -2.723
  407    HG2  PRO  46           HG2      PRO  46 115.354   1.490  -5.660
  408    HG3  PRO  46           HG1      PRO  46 115.273  -0.017  -4.734
  409    HD2  PRO  46           HD2      PRO  46 113.116   1.147  -5.881
  410    HD3  PRO  46           HD1      PRO  46 113.003   0.152  -4.425
  411    H    GLN  47           HN       GLN  47 113.332   3.986  -5.371
  412    HA   GLN  47           HA       GLN  47 115.394   6.051  -5.406
  413    HB2  GLN  47           HB2      GLN  47 113.021   5.515  -7.211
  414    HB3  GLN  47           HB1      GLN  47 114.211   6.788  -7.477
  415    HG2  GLN  47           HG2      GLN  47 116.008   5.099  -7.567
  416    HG3  GLN  47           HG1      GLN  47 114.821   3.823  -7.309
  417   HE21  GLN  47          HE21      GLN  47 115.983   3.278  -9.574
  418   HE22  GLN  47          HE22      GLN  47 115.160   3.858 -10.940
  419    H    GLU  48           HN       GLU  48 111.819   6.048  -5.431
  420    HA   GLU  48           HA       GLU  48 111.835   8.786  -4.353
  421    HB2  GLU  48           HB2      GLU  48 109.310   8.517  -4.711
  422    HB3  GLU  48           HB1      GLU  48 110.320   8.564  -6.148
  423    HG2  GLU  48           HG2      GLU  48 110.268   6.161  -6.350
  424    HG3  GLU  48           HG1      GLU  48 109.434   6.008  -4.801
  425    H    GLY  49           HN       GLY  49 111.339   5.524  -3.356
  426    HA2  GLY  49           HA2      GLY  49 110.782   4.583  -1.324
  427    HA3  GLY  49           HA1      GLY  49 111.243   6.122  -0.607
  428    H    THR  50           HN       THR  50 108.577   4.483  -2.294
  429    HA   THR  50           HA       THR  50 106.678   5.968  -0.601
  430    HB   THR  50           HB       THR  50 106.838   7.117  -2.810
  431    HG1  THR  50           HG1      THR  50 104.735   7.383  -2.828
  432   HG21  THR  50          HG21      THR  50 106.095   5.974  -4.820
  433   HG22  THR  50          HG22      THR  50 105.738   4.505  -3.905
  434   HG23  THR  50          HG23      THR  50 107.417   5.043  -4.106
  435    H    ILE  51           HN       ILE  51 104.436   5.003  -0.810
  436    HA   ILE  51           HA       ILE  51 104.674   2.097  -0.674
  437    HB   ILE  51           HB       ILE  51 102.135   3.584  -0.152
  438   HG12  ILE  51          HG12      ILE  51 104.633   3.577   1.540
  439   HG13  ILE  51          HG11      ILE  51 103.614   4.951   1.086
  440   HG21  ILE  51          HG21      ILE  51 103.304   1.409   1.536
  441   HG22  ILE  51          HG22      ILE  51 102.651   0.982  -0.042
  442   HG23  ILE  51          HG23      ILE  51 101.622   1.747   1.167
  443   HD11  ILE  51          HD11      ILE  51 103.046   4.513   3.334
  444   HD12  ILE  51          HD12      ILE  51 103.024   2.772   3.074
  445   HD13  ILE  51          HD13      ILE  51 101.750   3.782   2.391
  446    H    ASP  52           HN       ASP  52 103.590   0.667  -2.010
  447    HA   ASP  52           HA       ASP  52 101.920   1.800  -4.147
  448    HB2  ASP  52           HB2      ASP  52 104.382   0.095  -4.429
  449    HB3  ASP  52           HB1      ASP  52 103.106   0.046  -5.649
  450    H    ILE  53           HN       ILE  53 100.055   0.790  -4.217
  451    HA   ILE  53           HA       ILE  53  99.546  -1.588  -2.707
  452    HB   ILE  53           HB       ILE  53  97.781  -0.295  -4.799
  453   HG12  ILE  53          HG12      ILE  53  98.451   1.370  -3.132
  454   HG13  ILE  53          HG11      ILE  53  96.775   0.916  -2.842
  455   HG21  ILE  53          HG21      ILE  53  97.174  -2.061  -2.403
  456   HG22  ILE  53          HG22      ILE  53  97.086  -2.554  -4.094
  457   HG23  ILE  53          HG23      ILE  53  95.967  -1.342  -3.472
  458   HD11  ILE  53          HD11      ILE  53  97.869  -0.891  -1.230
  459   HD12  ILE  53          HD12      ILE  53  97.662   0.763  -0.685
  460   HD13  ILE  53          HD13      ILE  53  99.235   0.216  -1.265
  461    H    LYS  54           HN       LYS  54  99.993  -0.882  -6.124
  462    HA   LYS  54           HA       LYS  54  99.252  -3.450  -7.081
  463    HB2  LYS  54           HB2      LYS  54  99.378  -1.410  -8.503
  464    HB3  LYS  54           HB1      LYS  54 101.137  -1.453  -8.355
  465    HG2  LYS  54           HG2      LYS  54 101.188  -3.679  -9.390
  466    HG3  LYS  54           HG1      LYS  54  99.428  -3.683  -9.497
  467    HD2  LYS  54           HD2      LYS  54  99.519  -1.684 -10.953
  468    HD3  LYS  54           HD1      LYS  54 101.280  -1.709 -10.864
  469    HE2  LYS  54           HE2      LYS  54 101.281  -3.986 -11.857
  470    HE3  LYS  54           HE1      LYS  54  99.524  -3.907 -11.994
  471    HZ1  LYS  54           HZ1      LYS  54 101.080  -3.199 -13.965
  472    HZ2  LYS  54           HZ2      LYS  54 101.094  -1.717 -13.134
  473    HZ3  LYS  54           HZ3      LYS  54  99.623  -2.385 -13.661
  474    H    ARG  55           HN       ARG  55 102.464  -1.984  -6.577
  475    HA   ARG  55           HA       ARG  55 103.933  -4.321  -7.164
  476    HB2  ARG  55           HB2      ARG  55 104.588  -1.817  -5.646
  477    HB3  ARG  55           HB1      ARG  55 105.753  -3.124  -5.799
  478    HG2  ARG  55           HG2      ARG  55 105.527  -2.993  -8.268
  479    HG3  ARG  55           HG1      ARG  55 104.403  -1.647  -8.082
  480    HD2  ARG  55           HD2      ARG  55 106.152  -0.341  -6.936
  481    HD3  ARG  55           HD1      ARG  55 107.274  -1.684  -7.107
  482    HE   ARG  55           HE       ARG  55 106.374   0.111  -9.233
  483   HH11  ARG  55          HH11      ARG  55 107.558  -0.068 -11.162
  484   HH12  ARG  55          HH12      ARG  55 108.661  -1.386 -11.376
  485   HH21  ARG  55          HH21      ARG  55 108.013  -2.782  -8.270
  486   HH22  ARG  55          HH22      ARG  55 108.918  -2.921  -9.737
  487    H    TRP  56           HN       TRP  56 102.498  -3.102  -4.205
  488    HA   TRP  56           HA       TRP  56 103.758  -4.707  -2.331
  489    HB2  TRP  56           HB2      TRP  56 102.335  -2.998  -1.522
  490    HB3  TRP  56           HB1      TRP  56 100.962  -3.606  -2.446
  491    HD1  TRP  56           HD1      TRP  56  99.296  -4.803  -0.969
  492    HE1  TRP  56           HE1      TRP  56  99.409  -6.291   1.133
  493    HE3  TRP  56           HE3      TRP  56 104.345  -4.844  -0.177
  494    HZ2  TRP  56           HZ2      TRP  56 101.381  -7.358   2.910
  495    HZ3  TRP  56           HZ3      TRP  56 105.311  -6.102   1.713
  496    HH2  TRP  56           HH2      TRP  56 103.843  -7.362   3.254
  497    H    ARG  57           HN       ARG  57 101.054  -5.418  -4.459
  498    HA   ARG  57           HA       ARG  57 100.413  -7.966  -3.361
  499    HB2  ARG  57           HB2      ARG  57  99.931  -6.823  -6.130
  500    HB3  ARG  57           HB1      ARG  57  99.250  -8.336  -5.539
  501    HG2  ARG  57           HG2      ARG  57  98.122  -7.154  -3.708
  502    HG3  ARG  57           HG1      ARG  57  98.837  -5.637  -4.234
  503    HD2  ARG  57           HD2      ARG  57  96.541  -5.822  -5.075
  504    HD3  ARG  57           HD1      ARG  57  97.688  -5.842  -6.412
  505    HE   ARG  57           HE       ARG  57  97.090  -8.495  -5.523
  506   HH11  ARG  57          HH11      ARG  57  95.771  -9.758  -6.874
  507   HH12  ARG  57          HH12      ARG  57  94.810  -8.996  -8.097
  508   HH21  ARG  57          HH21      ARG  57  95.878  -5.791  -7.313
  509   HH22  ARG  57          HH22      ARG  57  94.871  -6.750  -8.346
  510    H    ARG  58           HN       ARG  58 102.595  -6.887  -5.935
  511    HA   ARG  58           HA       ARG  58 103.277  -9.413  -6.976
  512    HB2  ARG  58           HB2      ARG  58 104.828  -6.828  -6.787
  513    HB3  ARG  58           HB1      ARG  58 105.440  -8.242  -7.624
  514    HG2  ARG  58           HG2      ARG  58 102.670  -7.277  -8.254
  515    HG3  ARG  58           HG1      ARG  58 104.042  -6.399  -8.930
  516    HD2  ARG  58           HD2      ARG  58 104.915  -8.577  -9.827
  517    HD3  ARG  58           HD1      ARG  58 103.437  -9.351  -9.269
  518    HE   ARG  58           HE       ARG  58 103.053  -7.060 -11.017
  519   HH11  ARG  58          HH11      ARG  58 102.037  -7.542 -12.991
  520   HH12  ARG  58          HH12      ARG  58 101.864  -9.192 -13.490
  521   HH21  ARG  58          HH21      ARG  58 103.423 -10.483 -10.674
  522   HH22  ARG  58          HH22      ARG  58 102.650 -10.857 -12.178
  523    H    VAL  59           HN       VAL  59 104.938  -7.487  -4.481
  524    HA   VAL  59           HA       VAL  59 106.896  -9.457  -3.863
  525    HB   VAL  59           HB       VAL  59 107.279  -7.176  -3.197
  526   HG11  VAL  59          HG11      VAL  59 104.846  -7.423  -1.403
  527   HG12  VAL  59          HG12      VAL  59 104.850  -6.607  -2.962
  528   HG13  VAL  59          HG13      VAL  59 105.838  -5.990  -1.649
  529   HG21  VAL  59          HG21      VAL  59 108.231  -7.683  -1.183
  530   HG22  VAL  59          HG22      VAL  59 107.676  -9.314  -1.557
  531   HG23  VAL  59          HG23      VAL  59 106.711  -8.274  -0.500
  532    H    GLY  60           HN       GLY  60 103.721  -8.711  -2.467
  533    HA2  GLY  60           HA2      GLY  60 103.792 -10.518  -0.312
  534    HA3  GLY  60           HA1      GLY  60 102.327  -9.939  -1.100
  535    H    ASP  61           HN       ASP  61 102.670 -10.945  -3.661
  536    HA   ASP  61           HA       ASP  61 101.880 -13.670  -3.300
  537    HB2  ASP  61           HB2      ASP  61 102.285 -11.853  -5.652
  538    HB3  ASP  61           HB1      ASP  61 102.114 -13.586  -5.919
  539    H    CYS  62           HN       CYS  62 104.824 -12.064  -4.360
  540    HA   CYS  62           HA       CYS  62 106.163 -14.351  -5.341
  541    HB2  CYS  62           HB2      CYS  62 107.207 -11.755  -4.195
  542    HB3  CYS  62           HB1      CYS  62 108.237 -12.980  -4.935
  543    HG   CYS  62           HG       CYS  62 107.329 -12.411  -7.209
  544    H    PHE  63           HN       PHE  63 105.950 -12.905  -2.118
  545    HA   PHE  63           HA       PHE  63 107.839 -14.763  -0.967
  546    HB2  PHE  63           HB2      PHE  63 106.119 -12.538   0.050
  547    HB3  PHE  63           HB1      PHE  63 106.754 -13.719   1.197
  548    HD1  PHE  63           HD1      PHE  63 108.678 -12.957   2.270
  549    HD2  PHE  63           HD2      PHE  63 108.099 -12.038  -1.887
  550    HE1  PHE  63           HE1      PHE  63 110.881 -11.825   2.212
  551    HE2  PHE  63           HE2      PHE  63 110.303 -10.907  -1.944
  552    HZ   PHE  63           HZ       PHE  63 111.695 -10.800   0.106
  553    H    GLN  64           HN       GLN  64 104.329 -14.320  -0.962
  554    HA   GLN  64           HA       GLN  64 103.724 -16.447   0.796
  555    HB2  GLN  64           HB2      GLN  64 102.165 -14.580   0.061
  556    HB3  GLN  64           HB1      GLN  64 101.950 -15.479  -1.442
  557    HG2  GLN  64           HG2      GLN  64 100.158 -16.135   0.019
  558    HG3  GLN  64           HG1      GLN  64 101.297 -17.479  -0.031
  559   HE21  GLN  64          HE21      GLN  64 100.712 -18.248   2.116
  560   HE22  GLN  64          HE22      GLN  64 101.129 -17.381   3.513
  561    H    ASP  65           HN       ASP  65 104.156 -16.298  -2.696
  562    HA   ASP  65           HA       ASP  65 103.251 -18.912  -3.289
  563    HB2  ASP  65           HB2      ASP  65 103.552 -17.202  -5.020
  564    HB3  ASP  65           HB1      ASP  65 105.288 -17.198  -4.715
  565    H    TYR  66           HN       TYR  66 106.561 -17.645  -2.835
  566    HA   TYR  66           HA       TYR  66 107.831 -20.173  -2.999
  567    HB2  TYR  66           HB2      TYR  66 108.606 -17.439  -2.165
  568    HB3  TYR  66           HB1      TYR  66 109.601 -18.762  -1.560
  569    HD1  TYR  66           HD1      TYR  66 110.168 -20.625  -3.398
  570    HD2  TYR  66           HD2      TYR  66 109.150 -16.540  -4.253
  571    HE1  TYR  66           HE1      TYR  66 111.279 -20.807  -5.607
  572    HE2  TYR  66           HE2      TYR  66 110.258 -16.723  -6.460
  573    HH   TYR  66           HH       TYR  66 110.822 -19.232  -8.030
  574    H    TYR  67           HN       TYR  67 106.576 -18.285  -0.299
  575    HA   TYR  67           HA       TYR  67 107.610 -19.923   1.769
  576    HB2  TYR  67           HB2      TYR  67 106.761 -17.616   2.127
  577    HB3  TYR  67           HB1      TYR  67 105.130 -18.186   1.805
  578    HD1  TYR  67           HD1      TYR  67 108.099 -19.039   3.938
  579    HD2  TYR  67           HD2      TYR  67 103.819 -18.855   3.618
  580    HE1  TYR  67           HE1      TYR  67 107.891 -19.760   6.301
  581    HE2  TYR  67           HE2      TYR  67 103.613 -19.578   5.977
  582    HH   TYR  67           HH       TYR  67 104.869 -19.661   7.993
  583    H    ASN  68           HN       ASN  68 104.589 -19.971  -0.063
  584    HA   ASN  68           HA       ASN  68 103.239 -21.898   1.479
  585    HB2  ASN  68           HB2      ASN  68 103.019 -20.969  -1.370
  586    HB3  ASN  68           HB1      ASN  68 102.062 -22.339  -0.809
  587   HD21  ASN  68          HD21      ASN  68 102.738 -20.089   1.701
  588   HD22  ASN  68          HD22      ASN  68 101.242 -19.288   1.688
  589    H    THR  69           HN       THR  69 105.406 -22.221  -1.307
  590    HA   THR  69           HA       THR  69 105.133 -24.900  -1.895
  591    HB   THR  69           HB       THR  69 107.464 -24.841  -2.681
  592    HG1  THR  69           HG1      THR  69 108.547 -23.754  -1.152
  593   HG21  THR  69          HG21      THR  69 107.046 -22.251  -3.637
  594   HG22  THR  69          HG22      THR  69 105.426 -22.857  -3.303
  595   HG23  THR  69          HG23      THR  69 106.494 -23.743  -4.390
  596    H    PHE  70           HN       PHE  70 106.570 -23.467   0.918
  597    HA   PHE  70           HA       PHE  70 107.864 -25.917   1.752
  598    HB2  PHE  70           HB2      PHE  70 107.471 -23.218   3.049
  599    HB3  PHE  70           HB1      PHE  70 108.222 -24.568   3.898
  600    HD1  PHE  70           HD1      PHE  70 110.310 -25.617   2.971
  601    HD2  PHE  70           HD2      PHE  70 108.652 -21.993   1.373
  602    HE1  PHE  70           HE1      PHE  70 112.465 -25.127   1.844
  603    HE2  PHE  70           HE2      PHE  70 110.806 -21.503   0.242
  604    HZ   PHE  70           HZ       PHE  70 112.713 -23.071   0.479
  605    H    GLY  71           HN       GLY  71 104.804 -25.464   1.392
  606    HA2  GLY  71           HA2      GLY  71 102.838 -25.939   2.539
  607    HA3  GLY  71           HA1      GLY  71 103.750 -27.382   2.971
  608    HA   PRO  72           HA       PRO  72 104.456 -24.527   6.706
  609    HB2  PRO  72           HB2      PRO  72 103.657 -21.922   6.592
  610    HB3  PRO  72           HB1      PRO  72 105.234 -22.478   5.997
  611    HG2  PRO  72           HG2      PRO  72 102.797 -21.743   4.487
  612    HG3  PRO  72           HG1      PRO  72 104.498 -21.581   4.048
  613    HD2  PRO  72           HD2      PRO  72 102.795 -23.581   3.114
  614    HD3  PRO  72           HD1      PRO  72 104.565 -23.606   3.058
  615    H    GLU  73           HN       GLU  73 103.137 -24.910   8.395
  616    HA   GLU  73           HA       GLU  73 100.245 -24.839   7.997
  617    HB2  GLU  73           HB2      GLU  73 101.282 -26.807   9.070
  618    HB3  GLU  73           HB1      GLU  73 101.870 -25.774  10.373
  619    HG2  GLU  73           HG2      GLU  73  99.578 -25.179  10.984
  620    HG3  GLU  73           HG1      GLU  73  98.952 -26.115   9.628
  621    H    LYS  74           HN       LYS  74 102.754 -23.064   9.618
  622    HA   LYS  74           HA       LYS  74 101.130 -21.728  11.532
  623    HB2  LYS  74           HB2      LYS  74 103.760 -20.936  10.251
  624    HB3  LYS  74           HB1      LYS  74 103.041 -20.111  11.627
  625    HG2  LYS  74           HG2      LYS  74 104.372 -21.586  12.790
  626    HG3  LYS  74           HG1      LYS  74 102.970 -22.624  12.597
  627    HD2  LYS  74           HD2      LYS  74 103.932 -23.704  10.670
  628    HD3  LYS  74           HD1      LYS  74 105.276 -22.569  10.636
  629    HE2  LYS  74           HE2      LYS  74 106.019 -23.376  12.837
  630    HE3  LYS  74           HE1      LYS  74 104.672 -24.513  12.878
  631    HZ1  LYS  74           HZ1      LYS  74 106.955 -25.311  12.041
  632    HZ2  LYS  74           HZ2      LYS  74 106.543 -24.506  10.603
  633    HZ3  LYS  74           HZ3      LYS  74 105.567 -25.770  11.183
  634    H    VAL  75           HN       VAL  75 102.280 -20.777   8.303
  635    HA   VAL  75           HA       VAL  75 101.754 -18.795   7.150
  636    HB   VAL  75           HB       VAL  75  99.144 -20.249   7.481
  637   HG11  VAL  75          HG11      VAL  75  99.189 -19.003   5.007
  638   HG12  VAL  75          HG12      VAL  75  99.882 -17.788   6.079
  639   HG13  VAL  75          HG13      VAL  75  98.284 -18.454   6.417
  640   HG21  VAL  75          HG21      VAL  75  99.778 -21.483   5.566
  641   HG22  VAL  75          HG22      VAL  75 101.275 -21.388   6.497
  642   HG23  VAL  75          HG23      VAL  75 101.027 -20.316   5.119
  643    HA   PRO  76           HA       PRO  76 100.362 -16.381  10.887
  644    HB2  PRO  76           HB2      PRO  76 102.117 -14.422   9.481
  645    HB3  PRO  76           HB1      PRO  76 102.062 -14.854  11.200
  646    HG2  PRO  76           HG2      PRO  76 104.039 -15.690   9.636
  647    HG3  PRO  76           HG1      PRO  76 103.367 -16.730  10.906
  648    HD2  PRO  76           HD2      PRO  76 102.938 -16.840   7.949
  649    HD3  PRO  76           HD1      PRO  76 103.058 -18.182   9.119
  650    H    VAL  77           HN       VAL  77  98.459 -15.376  10.759
  651    HA   VAL  77           HA       VAL  77  97.469 -14.380   8.218
  652    HB   VAL  77           HB       VAL  77  96.204 -14.493  10.963
  653   HG11  VAL  77          HG11      VAL  77  94.086 -14.112   9.575
  654   HG12  VAL  77          HG12      VAL  77  95.160 -13.574   8.284
  655   HG13  VAL  77          HG13      VAL  77  95.128 -12.713   9.822
  656   HG21  VAL  77          HG21      VAL  77  95.373 -16.553  10.346
  657   HG22  VAL  77          HG22      VAL  77  96.755 -16.573   9.242
  658   HG23  VAL  77          HG23      VAL  77  95.164 -16.063   8.664
  659    H    THR  78           HN       THR  78  99.006 -13.097  10.991
  660    HA   THR  78           HA       THR  78  98.048 -10.556  11.307
  661    HB   THR  78           HB       THR  78 100.326  -9.885  11.925
  662    HG1  THR  78           HG1      THR  78 100.984 -11.586  10.057
  663   HG21  THR  78          HG21      THR  78  99.400 -11.090  13.682
  664   HG22  THR  78          HG22      THR  78 100.840 -12.049  13.347
  665   HG23  THR  78          HG23      THR  78  99.274 -12.572  12.737
  666    H    ALA  79           HN       ALA  79  99.718 -11.860   8.544
  667    HA   ALA  79           HA       ALA  79 100.628  -9.529   7.308
  668    HB1  ALA  79           HB1      ALA  79  99.940 -10.990   5.165
  669    HB2  ALA  79           HB2      ALA  79  99.847 -12.249   6.400
  670    HB3  ALA  79           HB3      ALA  79 101.354 -11.364   6.151
  671    H    PHE  80           HN       PHE  80  97.415 -10.717   7.755
  672    HA   PHE  80           HA       PHE  80  96.137  -9.333   5.632
  673    HB2  PHE  80           HB2      PHE  80  95.161 -11.250   6.956
  674    HB3  PHE  80           HB1      PHE  80  94.898 -10.114   8.274
  675    HD1  PHE  80           HD1      PHE  80  92.841  -9.020   8.377
  676    HD2  PHE  80           HD2      PHE  80  94.321 -10.359   4.571
  677    HE1  PHE  80           HE1      PHE  80  90.752  -8.246   7.291
  678    HE2  PHE  80           HE2      PHE  80  92.231  -9.582   3.487
  679    HZ   PHE  80           HZ       PHE  80  90.447  -8.526   4.846
  680    H    SER  81           HN       SER  81  96.935  -8.489   8.972
  681    HA   SER  81           HA       SER  81  95.428  -6.113   9.139
  682    HB2  SER  81           HB2      SER  81  98.026  -6.819  10.522
  683    HB3  SER  81           HB1      SER  81  96.912  -5.544  11.005
  684    HG   SER  81           HG       SER  81  95.305  -7.285  11.129
  685    H    TYR  82           HN       TYR  82  98.702  -6.781   7.975
  686    HA   TYR  82           HA       TYR  82  99.559  -4.122   7.654
  687    HB2  TYR  82           HB2      TYR  82 100.326  -6.739   6.414
  688    HB3  TYR  82           HB1      TYR  82 100.991  -5.244   5.762
  689    HD1  TYR  82           HD1      TYR  82 102.586  -3.932   6.991
  690    HD2  TYR  82           HD2      TYR  82 100.743  -7.377   8.782
  691    HE1  TYR  82           HE1      TYR  82 104.226  -3.848   8.860
  692    HE2  TYR  82           HE2      TYR  82 102.377  -7.290  10.647
  693    HH   TYR  82           HH       TYR  82 105.195  -5.690  10.542
  694    H    TRP  83           HN       TRP  83  98.005  -6.340   5.336
  695    HA   TRP  83           HA       TRP  83  97.967  -4.637   3.125
  696    HB2  TRP  83           HB2      TRP  83  97.363  -6.970   2.903
  697    HB3  TRP  83           HB1      TRP  83  95.980  -6.756   3.975
  698    HD1  TRP  83           HD1      TRP  83  97.256  -5.089   0.714
  699    HE1  TRP  83           HE1      TRP  83  95.224  -4.684  -0.820
  700    HE3  TRP  83           HE3      TRP  83  93.525  -6.892   3.698
  701    HZ2  TRP  83           HZ2      TRP  83  92.390  -5.074  -0.786
  702    HZ3  TRP  83           HZ3      TRP  83  91.171  -6.864   2.924
  703    HH2  TRP  83           HH2      TRP  83  90.599  -5.959   0.688
  704    H    ASN  84           HN       ASN  84  95.472  -5.073   5.631
  705    HA   ASN  84           HA       ASN  84  93.714  -3.108   4.598
  706    HB2  ASN  84           HB2      ASN  84  94.015  -4.435   7.286
  707    HB3  ASN  84           HB1      ASN  84  92.825  -3.160   7.028
  708   HD21  ASN  84          HD21      ASN  84  92.026  -5.851   7.630
  709   HD22  ASN  84          HD22      ASN  84  91.252  -6.491   6.262
  710    H    LEU  85           HN       LEU  85  96.310  -2.966   7.019
  711    HA   LEU  85           HA       LEU  85  95.774  -0.336   7.871
  712    HB2  LEU  85           HB2      LEU  85  97.119  -1.891   9.203
  713    HB3  LEU  85           HB1      LEU  85  98.348  -1.926   7.941
  714    HG   LEU  85           HG       LEU  85  98.688   0.512   8.219
  715   HD11  LEU  85          HD11      LEU  85  96.439   0.123  10.161
  716   HD12  LEU  85          HD12      LEU  85  96.713   1.437   9.017
  717   HD13  LEU  85          HD13      LEU  85  97.651   1.355  10.504
  718   HD21  LEU  85          HD21      LEU  85 100.051  -1.108   9.517
  719   HD22  LEU  85          HD22      LEU  85  98.868  -1.034  10.823
  720   HD23  LEU  85          HD23      LEU  85  99.806   0.396  10.405
  721    H    ILE  86           HN       ILE  86  98.511  -1.507   5.905
  722    HA   ILE  86           HA       ILE  86  99.446   0.947   5.052
  723    HB   ILE  86           HB       ILE  86  99.698  -1.830   4.136
  724   HG12  ILE  86          HG12      ILE  86 101.753   0.385   4.069
  725   HG13  ILE  86          HG11      ILE  86 101.269  -0.363   5.598
  726   HG21  ILE  86          HG21      ILE  86 100.847  -1.013   2.010
  727   HG22  ILE  86          HG22      ILE  86 100.025   0.513   2.251
  728   HG23  ILE  86          HG23      ILE  86  99.085  -0.956   1.987
  729   HD11  ILE  86          HD11      ILE  86 102.134  -2.018   3.228
  730   HD12  ILE  86          HD12      ILE  86 102.025  -2.505   4.920
  731   HD13  ILE  86          HD13      ILE  86 103.293  -1.392   4.403
  732    H    LYS  87           HN       LYS  87  96.784  -0.978   3.815
  733    HA   LYS  87           HA       LYS  87  96.367   0.289   1.364
  734    HB2  LYS  87           HB2      LYS  87  95.025  -1.577   1.619
  735    HB3  LYS  87           HB1      LYS  87  94.622  -1.193   3.293
  736    HG2  LYS  87           HG2      LYS  87  93.082   0.521   2.634
  737    HG3  LYS  87           HG1      LYS  87  93.657   0.472   0.959
  738    HD2  LYS  87           HD2      LYS  87  92.805  -1.853   0.773
  739    HD3  LYS  87           HD1      LYS  87  92.201  -1.748   2.427
  740    HE2  LYS  87           HE2      LYS  87  90.728   0.106   1.802
  741    HE3  LYS  87           HE1      LYS  87  91.372   0.089   0.161
  742    HZ1  LYS  87           HZ1      LYS  87  89.572  -1.223  -0.148
  743    HZ2  LYS  87           HZ2      LYS  87  89.538  -1.771   1.461
  744    HZ3  LYS  87           HZ3      LYS  87  90.651  -2.429   0.360
  745    H    GLU  88           HN       GLU  88  95.174   1.174   4.623
  746    HA   GLU  88           HA       GLU  88  93.757   3.455   3.567
  747    HB2  GLU  88           HB2      GLU  88  92.762   3.577   5.634
  748    HB3  GLU  88           HB1      GLU  88  93.252   1.893   5.656
  749    HG2  GLU  88           HG2      GLU  88  94.102   2.607   7.691
  750    HG3  GLU  88           HG1      GLU  88  95.484   2.827   6.657
  751    H    LEU  89           HN       LEU  89  96.897   2.751   4.758
  752    HA   LEU  89           HA       LEU  89  97.584   5.189   5.922
  753    HB2  LEU  89           HB2      LEU  89  98.874   2.897   5.670
  754    HB3  LEU  89           HB1      LEU  89  99.612   3.705   4.303
  755    HG   LEU  89           HG       LEU  89 100.989   4.104   6.264
  756   HD11  LEU  89          HD11      LEU  89  99.431   6.649   5.944
  757   HD12  LEU  89          HD12      LEU  89 100.365   5.994   4.591
  758   HD13  LEU  89          HD13      LEU  89 101.169   6.429   6.086
  759   HD21  LEU  89          HD21      LEU  89 100.140   4.479   8.343
  760   HD22  LEU  89          HD22      LEU  89  98.600   3.962   7.662
  761   HD23  LEU  89          HD23      LEU  89  98.995   5.676   7.743
  762    H    ILE  90           HN       ILE  90  97.864   4.095   2.560
  763    HA   ILE  90           HA       ILE  90  99.115   6.410   1.556
  764    HB   ILE  90           HB       ILE  90  97.280   4.407   0.190
  765   HG12  ILE  90          HG12      ILE  90 100.266   4.681   0.578
  766   HG13  ILE  90          HG11      ILE  90  99.243   3.307   0.952
  767   HG21  ILE  90          HG21      ILE  90  98.040   5.311  -1.908
  768   HG22  ILE  90          HG22      ILE  90  99.210   6.362  -1.105
  769   HG23  ILE  90          HG23      ILE  90  97.491   6.681  -0.977
  770   HD11  ILE  90          HD11      ILE  90  98.717   3.356  -1.631
  771   HD12  ILE  90          HD12      ILE  90 100.207   2.613  -1.065
  772   HD13  ILE  90          HD13      ILE  90 100.235   4.245  -1.722
  773    H    ASP  91           HN       ASP  91  95.677   5.524   1.841
  774    HA   ASP  91           HA       ASP  91  94.537   7.686   0.507
  775    HB2  ASP  91           HB2      ASP  91  93.631   5.886   2.718
  776    HB3  ASP  91           HB1      ASP  91  92.652   7.294   2.313
  777    H    LYS  92           HN       LYS  92  95.697   7.430   3.835
  778    HA   LYS  92           HA       LYS  92  94.714   9.921   4.744
  779    HB2  LYS  92           HB2      LYS  92  97.104   8.298   5.653
  780    HB3  LYS  92           HB1      LYS  92  96.437   9.676   6.527
  781    HG2  LYS  92           HG2      LYS  92  94.618   7.433   5.738
  782    HG3  LYS  92           HG1      LYS  92  95.661   7.233   7.147
  783    HD2  LYS  92           HD2      LYS  92  94.747   9.325   8.104
  784    HD3  LYS  92           HD1      LYS  92  93.680   9.493   6.714
  785    HE2  LYS  92           HE2      LYS  92  92.659   7.295   7.260
  786    HE3  LYS  92           HE1      LYS  92  93.677   7.206   8.697
  787    HZ1  LYS  92           HZ1      LYS  92  91.279   8.705   8.254
  788    HZ2  LYS  92           HZ2      LYS  92  92.542   9.672   8.852
  789    HZ3  LYS  92           HZ3      LYS  92  92.042   8.295   9.712
  790    H    LYS  93           HN       LYS  93  95.602  11.946   4.797
  791    HA   LYS  93           HA       LYS  93  97.357  12.669   2.685
  792    HB2  LYS  93           HB2      LYS  93  96.369  14.209   5.092
  793    HB3  LYS  93           HB1      LYS  93  97.323  14.925   3.791
  794    HG2  LYS  93           HG2      LYS  93  95.604  14.257   2.154
  795    HG3  LYS  93           HG1      LYS  93  94.650  13.531   3.448
  796    HD2  LYS  93           HD2      LYS  93  94.479  15.736   4.555
  797    HD3  LYS  93           HD1      LYS  93  95.414  16.459   3.247
  798    HE2  LYS  93           HE2      LYS  93  93.691  15.817   1.625
  799    HE3  LYS  93           HE1      LYS  93  92.761  15.032   2.903
  800    HZ1  LYS  93           HZ1      LYS  93  92.145  17.409   2.246
  801    HZ2  LYS  93           HZ2      LYS  93  93.532  17.873   3.112
  802    HZ3  LYS  93           HZ3      LYS  93  92.272  17.050   3.899
  803    H    GLU  94           HN       GLU  94  98.079  11.068   5.425
  804    HA   GLU  94           HA       GLU  94 100.411  12.465   6.329
  805    HB2  GLU  94           HB2      GLU  94  99.054  10.808   7.683
  806    HB3  GLU  94           HB1      GLU  94  99.796   9.534   6.713
  807    HG2  GLU  94           HG2      GLU  94 102.027  10.243   7.428
  808    HG3  GLU  94           HG1      GLU  94 101.337  11.593   8.317
  809    H    VAL  95           HN       VAL  95 100.840  12.541   3.742
  810    HA   VAL  95           HA       VAL  95 102.558  10.265   3.006
  811    HB   VAL  95           HB       VAL  95 102.387  11.002   0.755
  812   HG11  VAL  95          HG11      VAL  95 100.141  10.408   2.276
  813   HG12  VAL  95          HG12      VAL  95 100.222  10.419   0.516
  814   HG13  VAL  95          HG13      VAL  95  99.661  11.849   1.380
  815   HG21  VAL  95          HG21      VAL  95 102.793  13.329   0.867
  816   HG22  VAL  95          HG22      VAL  95 101.493  13.593   2.026
  817   HG23  VAL  95          HG23      VAL  95 101.112  13.233   0.342
  818    H    ASN  96           HN       ASN  96 104.726  10.454   2.829
  819    HA   ASN  96           HA       ASN  96 105.971  12.754   3.968
  820    HB2  ASN  96           HB2      ASN  96 106.774  10.051   3.170
  821    HB3  ASN  96           HB1      ASN  96 108.024  11.254   2.907
  822   HD21  ASN  96          HD21      ASN  96 107.460  13.008   5.105
  823   HD22  ASN  96          HD22      ASN  96 107.764  12.171   6.549
  824    HA   PRO  97           HA       PRO  97 107.131  15.375   0.635
  825    HB2  PRO  97           HB2      PRO  97 109.965  14.559   1.069
  826    HB3  PRO  97           HB1      PRO  97 109.262  16.184   0.975
  827    HG2  PRO  97           HG2      PRO  97 109.973  15.026   3.304
  828    HG3  PRO  97           HG1      PRO  97 108.655  16.197   3.163
  829    HD2  PRO  97           HD2      PRO  97 108.517  13.320   3.704
  830    HD3  PRO  97           HD1      PRO  97 107.289  14.575   3.951
  831    H    GLN  98           HN       GLN  98 107.961  12.053   0.693
  832    HA   GLN  98           HA       GLN  98 109.323  11.563  -1.635
  833    HB2  GLN  98           HB2      GLN  98 108.559   9.390  -1.493
  834    HB3  GLN  98           HB1      GLN  98 108.229   9.951   0.145
  835    HG2  GLN  98           HG2      GLN  98 105.924  10.672  -0.827
  836    HG3  GLN  98           HG1      GLN  98 106.311   9.562  -2.143
  837   HE21  GLN  98          HE21      GLN  98 104.199   8.600  -0.937
  838   HE22  GLN  98          HE22      GLN  98 104.546   7.421   0.234
  839    H    VAL  99           HN       VAL  99 106.345  13.137  -1.352
  840    HA   VAL  99           HA       VAL  99 105.016  12.357  -3.707
  841    HB   VAL  99           HB       VAL  99 105.028  14.984  -2.201
  842   HG11  VAL  99          HG11      VAL  99 102.805  15.269  -3.471
  843   HG12  VAL  99          HG12      VAL  99 103.414  14.032  -4.570
  844   HG13  VAL  99          HG13      VAL  99 104.287  15.553  -4.385
  845   HG21  VAL  99          HG21      VAL  99 102.990  12.740  -2.334
  846   HG22  VAL  99          HG22      VAL  99 102.925  14.162  -1.296
  847   HG23  VAL  99          HG23      VAL  99 104.168  12.934  -1.034
  848    H    MET 100           HN       MET 100 107.361  14.977  -3.128
  849    HA   MET 100           HA       MET 100 107.360  15.928  -5.811
  850    HB2  MET 100           HB2      MET 100 109.315  16.227  -3.536
  851    HB3  MET 100           HB1      MET 100 109.544  17.005  -5.099
  852    HG2  MET 100           HG2      MET 100 107.374  18.141  -4.874
  853    HG3  MET 100           HG1      MET 100 107.113  17.351  -3.321
  854    HE1  MET 100           HE1      MET 100 107.894  17.988  -1.223
  855    HE2  MET 100           HE2      MET 100 109.291  18.984  -0.829
  856    HE3  MET 100           HE3      MET 100 109.526  17.415  -1.583
  857    H    ALA 101           HN       ALA 101 109.410  13.627  -4.037
  858    HA   ALA 101           HA       ALA 101 111.144  13.162  -6.281
  859    HB1  ALA 101           HB1      ALA 101 111.713  11.091  -4.716
  860    HB2  ALA 101           HB2      ALA 101 110.809  12.031  -3.517
  861    HB3  ALA 101           HB3      ALA 101 112.247  12.717  -4.278
  862    H    ALA 102           HN       ALA 102 108.058  12.142  -5.404
  863    HA   ALA 102           HA       ALA 102 108.239   9.559  -6.774
  864    HB1  ALA 102           HB1      ALA 102 106.957   9.512  -4.748
  865    HB2  ALA 102           HB2      ALA 102 105.824   9.352  -6.095
  866    HB3  ALA 102           HB3      ALA 102 105.993  10.901  -5.270
  867    H    VAL 103           HN       VAL 103 107.074  12.789  -7.276
  868    HA   VAL 103           HA       VAL 103 105.242  12.358  -9.358
  869    HB   VAL 103           HB       VAL 103 107.083  14.676  -8.745
  870   HG11  VAL 103          HG11      VAL 103 106.723  15.126 -10.980
  871   HG12  VAL 103          HG12      VAL 103 105.233  15.798 -10.318
  872   HG13  VAL 103          HG13      VAL 103 105.231  14.188 -11.037
  873   HG21  VAL 103          HG21      VAL 103 104.192  15.061  -8.625
  874   HG22  VAL 103          HG22      VAL 103 105.411  15.363  -7.386
  875   HG23  VAL 103          HG23      VAL 103 104.722  13.752  -7.568
  876    H    ALA 104           HN       ALA 104 108.762  12.929  -9.482
  877    HA   ALA 104           HA       ALA 104 109.035  12.872 -12.274
  878    HB1  ALA 104           HB1      ALA 104 111.131  11.788 -10.406
  879    HB2  ALA 104           HB2      ALA 104 110.757  13.510 -10.444
  880    HB3  ALA 104           HB3      ALA 104 111.347  12.704 -11.897
  881    H    GLN 105           HN       GLN 105 108.758  10.307  -9.906
  882    HA   GLN 105           HA       GLN 105 109.493   8.228 -11.794
  883    HB2  GLN 105           HB2      GLN 105 108.363   8.101  -8.987
  884    HB3  GLN 105           HB1      GLN 105 108.865   6.698  -9.930
  885    HG2  GLN 105           HG2      GLN 105 110.680   9.030  -9.261
  886    HG3  GLN 105           HG1      GLN 105 110.633   7.522  -8.349
  887   HE21  GLN 105          HE21      GLN 105 112.845   8.707 -10.085
  888   HE22  GLN 105          HE22      GLN 105 113.209   7.481 -11.201
  889    H    THR 106           HN       THR 106 106.886   7.351  -9.819
  890    HA   THR 106           HA       THR 106 104.853   6.420 -10.436
  891    HB   THR 106           HB       THR 106 104.705   9.235 -11.531
  892    HG1  THR 106           HG1      THR 106 103.521   8.136  -9.218
  893   HG21  THR 106          HG21      THR 106 102.882   8.368 -12.616
  894   HG22  THR 106          HG22      THR 106 102.141   8.581 -11.029
  895   HG23  THR 106          HG23      THR 106 102.748   6.998 -11.514
  896    H    GLU 107           HN       GLU 107 105.705   4.838 -11.903
  897    HA   GLU 107           HA       GLU 107 106.282   5.204 -14.600
  898    HB2  GLU 107           HB2      GLU 107 105.000   2.813 -13.245
  899    HB3  GLU 107           HB1      GLU 107 105.713   2.803 -14.857
  900    HG2  GLU 107           HG2      GLU 107 107.897   3.384 -13.970
  901    HG3  GLU 107           HG1      GLU 107 107.226   3.584 -12.353
  902    H    GLU 108           HN       GLU 108 105.069   5.042 -16.499
  903    HA   GLU 108           HA       GLU 108 102.306   5.921 -16.247
  904    HB2  GLU 108           HB2      GLU 108 104.103   5.500 -18.648
  905    HB3  GLU 108           HB1      GLU 108 102.446   6.106 -18.739
  906    HG2  GLU 108           HG2      GLU 108 103.025   8.021 -17.347
  907    HG3  GLU 108           HG1      GLU 108 104.657   7.396 -17.112
  908    H    ILE 109           HN       ILE 109 100.699   4.501 -16.098
  909    HA   ILE 109           HA       ILE 109 100.886   1.747 -16.361
  910    HB   ILE 109           HB       ILE 109  98.399   1.783 -16.565
  911   HG12  ILE 109          HG12      ILE 109  98.695   4.798 -16.606
  912   HG13  ILE 109          HG11      ILE 109  98.399   3.852 -18.061
  913   HG21  ILE 109          HG21      ILE 109  98.897   1.929 -14.324
  914   HG22  ILE 109          HG22      ILE 109  98.178   3.526 -14.518
  915   HG23  ILE 109          HG23      ILE 109  99.928   3.345 -14.537
  916   HD11  ILE 109          HD11      ILE 109  96.277   3.155 -17.336
  917   HD12  ILE 109          HD12      ILE 109  96.349   4.840 -16.822
  918   HD13  ILE 109          HD13      ILE 109  96.620   3.549 -15.652
  919    H    LEU 110           HN       LEU 110 100.601   4.165 -18.822
  920    HA   LEU 110           HA       LEU 110  99.552   2.564 -20.912
  921    HB2  LEU 110           HB2      LEU 110 101.388   4.975 -21.044
  922    HB3  LEU 110           HB1      LEU 110 100.497   4.297 -22.406
  923    HG   LEU 110           HG       LEU 110  99.238   5.364 -19.862
  924   HD11  LEU 110          HD11      LEU 110  98.474   6.770 -22.237
  925   HD12  LEU 110          HD12      LEU 110 100.235   6.723 -22.161
  926   HD13  LEU 110          HD13      LEU 110  99.312   7.396 -20.817
  927   HD21  LEU 110          HD21      LEU 110  97.639   3.882 -20.621
  928   HD22  LEU 110          HD22      LEU 110  98.215   3.946 -22.285
  929   HD23  LEU 110          HD23      LEU 110  97.230   5.258 -21.642
  930    H    LYS 111           HN       LYS 111 102.865   3.240 -19.847
  931    HA   LYS 111           HA       LYS 111 104.158   1.837 -21.941
  932    HB2  LYS 111           HB2      LYS 111 105.268   3.511 -20.463
  933    HB3  LYS 111           HB1      LYS 111 105.176   2.351 -19.137
  934    HG2  LYS 111           HG2      LYS 111 106.529   0.750 -20.398
  935    HG3  LYS 111           HG1      LYS 111 106.562   1.835 -21.789
  936    HD2  LYS 111           HD2      LYS 111 107.731   3.538 -20.430
  937    HD3  LYS 111           HD1      LYS 111 107.710   2.445 -19.046
  938    HE2  LYS 111           HE2      LYS 111 109.880   2.345 -20.224
  939    HE3  LYS 111           HE1      LYS 111 109.036   0.800 -20.315
  940    HZ1  LYS 111           HZ1      LYS 111 108.942   0.944 -22.511
  941    HZ2  LYS 111           HZ2      LYS 111 109.976   2.288 -22.423
  942    HZ3  LYS 111           HZ3      LYS 111 108.293   2.510 -22.459
  943    H    SER 112           HN       SER 112 102.985   0.890 -18.748
  944    HA   SER 112           HA       SER 112 104.155  -1.651 -18.620
  945    HB2  SER 112           HB2      SER 112 102.382  -2.174 -16.985
  946    HB3  SER 112           HB1      SER 112 103.099  -0.594 -16.683
  947    HG   SER 112           HG       SER 112 101.336   0.357 -17.680
  948    H    ASN 113           HN       ASN 113 101.022  -0.613 -19.914
  949    HA   ASN 113           HA       ASN 113 100.165  -3.219 -20.687
  950    HB2  ASN 113           HB2      ASN 113  98.560  -1.416 -20.386
  951    HB3  ASN 113           HB1      ASN 113  99.320  -0.490 -21.680
  952   HD21  ASN 113          HD21      ASN 113  96.816  -0.807 -22.355
  953   HD22  ASN 113          HD22      ASN 113  96.536  -2.124 -23.388
  954    H    SER 114           HN       SER 114 101.827  -0.589 -22.376
  955    HA   SER 114           HA       SER 114 103.020  -2.441 -24.231
  956    HB2  SER 114           HB2      SER 114 102.022  -1.663 -26.249
  957    HB3  SER 114           HB1      SER 114 100.688  -2.020 -25.157
  958    HG   SER 114           HG       SER 114 101.102   0.364 -24.568
  959    H    GLN 115           HN       GLN 115 104.873  -1.622 -25.102
  960    HA   GLN 115           HA       GLN 115 105.701   1.013 -24.146
  961    HB2  GLN 115           HB2      GLN 115 107.230  -1.196 -25.543
  962    HB3  GLN 115           HB1      GLN 115 107.940   0.308 -24.969
  963    HG2  GLN 115           HG2      GLN 115 107.283  -0.212 -22.676
  964    HG3  GLN 115           HG1      GLN 115 106.475  -1.681 -23.217
  965   HE21  GLN 115          HE21      GLN 115 108.166  -2.575 -21.535
  966   HE22  GLN 115          HE22      GLN 115 109.681  -3.009 -22.169
  967    H    THR 116           HN       THR 116 103.718   0.711 -26.324
  968    HA   THR 116           HA       THR 116 104.875   1.236 -28.849
  969    HB   THR 116           HB       THR 116 102.649   2.136 -29.441
  970    HG1  THR 116           HG1      THR 116 101.942   3.192 -27.702
  971   HG21  THR 116          HG21      THR 116 103.265  -0.458 -28.446
  972   HG22  THR 116          HG22      THR 116 102.038  -0.015 -29.634
  973   HG23  THR 116          HG23      THR 116 101.628  -0.065 -27.919
  974    H    ASP 117           HN       ASP 117 103.773   3.415 -26.262
  975    HA   ASP 117           HA       ASP 117 104.159   5.852 -27.571
  976    HB2  ASP 117           HB2      ASP 117 103.037   5.636 -25.386
  977    HB3  ASP 117           HB1      ASP 117 104.578   5.224 -24.637
  978    H    LEU 118           HN       LEU 118 106.436   4.038 -25.506
  979    HA   LEU 118           HA       LEU 118 108.637   5.451 -26.859
  980    HB2  LEU 118           HB2      LEU 118 108.440   4.786 -23.916
  981    HB3  LEU 118           HB1      LEU 118 109.875   5.432 -24.704
  982    HG   LEU 118           HG       LEU 118 107.163   6.793 -24.692
  983   HD11  LEU 118          HD11      LEU 118 108.908   8.394 -23.289
  984   HD12  LEU 118          HD12      LEU 118 109.396   6.779 -22.775
  985   HD13  LEU 118          HD13      LEU 118 107.728   7.308 -22.554
  986   HD21  LEU 118          HD21      LEU 118 108.151   7.814 -26.480
  987   HD22  LEU 118          HD22      LEU 118 109.770   7.301 -26.014
  988   HD23  LEU 118          HD23      LEU 118 109.035   8.700 -25.240
  989    H    GLU 119           HN       GLU 119 110.216   4.166 -27.647
  990    HA   GLU 119           HA       GLU 119 110.069   1.295 -26.978
  991    HB2  GLU 119           HB2      GLU 119 109.712   1.970 -29.369
  992    HB3  GLU 119           HB1      GLU 119 111.361   2.595 -29.387
  993    HG2  GLU 119           HG2      GLU 119 111.463   0.363 -30.262
  994    HG3  GLU 119           HG1      GLU 119 112.129   0.292 -28.636
  995    H    HIS 120           HN       HIS 120 111.646   0.482 -25.769
  996    HA   HIS 120           HA       HIS 120 113.924   2.040 -25.004
  997    HB2  HIS 120           HB2      HIS 120 112.833   0.405 -23.490
  998    HB3  HIS 120           HB1      HIS 120 113.377  -0.901 -24.543
  999    HD1  HIS 120           HD1      HIS 120 115.007   2.088 -22.795
 1000    HD2  HIS 120           HD2      HIS 120 115.795  -1.905 -23.695
 1001    HE1  HIS 120           HE1      HIS 120 117.269   1.560 -21.787
 1002    HE2  HIS 120           HE2      HIS 120 117.764  -0.871 -22.327
 1003    H    HIS 121           HN       HIS 121 116.080   1.750 -25.530
 1004    HA   HIS 121           HA       HIS 121 116.548   0.316 -28.058
 1005    HB2  HIS 121           HB2      HIS 121 117.966   2.565 -26.645
 1006    HB3  HIS 121           HB1      HIS 121 118.756   1.651 -27.929
 1007    HD1  HIS 121           HD1      HIS 121 116.474   4.432 -27.384
 1008    HD2  HIS 121           HD2      HIS 121 117.136   1.684 -30.448
 1009    HE1  HIS 121           HE1      HIS 121 115.364   5.384 -29.452
 1010    HE2  HIS 121           HE2      HIS 121 115.758   3.720 -31.329
 1011    H    HIS 122           HN       HIS 122 117.803  -1.449 -28.162
 1012    HA   HIS 122           HA       HIS 122 118.617  -2.808 -25.814
 1013    HB2  HIS 122           HB2      HIS 122 118.065  -3.882 -28.021
 1014    HB3  HIS 122           HB1      HIS 122 119.612  -3.292 -28.629
 1015    HD1  HIS 122           HD1      HIS 122 121.746  -4.463 -27.814
 1016    HD2  HIS 122           HD2      HIS 122 118.289  -5.919 -25.996
 1017    HE1  HIS 122           HE1      HIS 122 122.422  -6.559 -26.564
 1018    HE2  HIS 122           HE2      HIS 122 120.325  -7.459 -25.450
 1019    H    HIS 123           HN       HIS 123 120.412  -0.929 -28.235
 1020    HA   HIS 123           HA       HIS 123 122.823  -1.122 -26.547
 1021    HB2  HIS 123           HB2      HIS 123 122.450  -0.325 -29.438
 1022    HB3  HIS 123           HB1      HIS 123 123.985  -0.204 -28.577
 1023    HD1  HIS 123           HD1      HIS 123 121.508  -2.732 -29.877
 1024    HD2  HIS 123           HD2      HIS 123 125.284  -2.674 -28.112
 1025    HE1  HIS 123           HE1      HIS 123 122.426  -5.083 -30.074
 1026    HE2  HIS 123           HE2      HIS 123 124.728  -5.065 -29.002
 1027    H    HIS 124           HN       HIS 124 123.089   0.504 -25.167
 1028    HA   HIS 124           HA       HIS 124 121.813   3.076 -25.616
 1029    HB2  HIS 124           HB2      HIS 124 121.737   2.297 -23.366
 1030    HB3  HIS 124           HB1      HIS 124 123.465   1.939 -23.358
 1031    HD1  HIS 124           HD1      HIS 124 125.049   3.826 -22.773
 1032    HD2  HIS 124           HD2      HIS 124 121.149   5.164 -23.387
 1033    HE1  HIS 124           HE1      HIS 124 125.008   6.262 -22.075
 1034    HE2  HIS 124           HE2      HIS 124 122.636   7.091 -22.444
 1035    H    HIS 125           HN       HIS 125 122.759   4.806 -26.488
 1036    HA   HIS 125           HA       HIS 125 124.352   6.078 -27.561
 1037    HB2  HIS 125           HB2      HIS 125 124.887   6.579 -25.213
 1038    HB3  HIS 125           HB1      HIS 125 125.972   5.190 -25.161
 1039    HD1  HIS 125           HD1      HIS 125 128.220   5.373 -26.442
 1040    HD2  HIS 125           HD2      HIS 125 125.879   8.814 -26.684
 1041    HE1  HIS 125           HE1      HIS 125 129.710   7.186 -27.396
 1042    HE2  HIS 125           HE2      HIS 125 128.297   9.291 -27.549
  Start of MODEL   12
    1    H21  MYR   1          1H2       MYR   1 116.306   8.693   0.040
    2    H22  MYR   1          2H2       MYR   1 115.792   9.868   1.042
    3    H31  MYR   1          1H3       MYR   1 114.333  10.712  -0.554
    4    H32  MYR   1          2H3       MYR   1 114.982   9.791  -1.729
    5    H41  MYR   1          1H4       MYR   1 113.676   8.111  -1.251
    6    H42  MYR   1          2H4       MYR   1 114.019   8.205   0.337
    7    H51  MYR   1          1H5       MYR   1 112.343  10.278  -0.364
    8    H52  MYR   1          2H5       MYR   1 111.663   8.863  -0.808
    9    H61  MYR   1          1H6       MYR   1 112.462   8.285   1.615
   10    H62  MYR   1          2H6       MYR   1 112.109   9.864   1.793
   11    H71  MYR   1          1H7       MYR   1 109.909   9.544   1.409
   12    H72  MYR   1          2H7       MYR   1 110.151   8.110   0.675
   13    H81  MYR   1          1H8       MYR   1 110.931   7.593   3.128
   14    H82  MYR   1          2H8       MYR   1 109.695   8.625   3.384
   15    H91  MYR   1          1H9       MYR   1 108.380   7.076   1.928
   16    H92  MYR   1          2H9       MYR   1 109.566   6.000   2.230
   17   H101  MYR   1          1H10      MYR   1 108.802   6.970   4.642
   18   H102  MYR   1          2H10      MYR   1 107.428   6.621   3.841
   19   H111  MYR   1          1H11      MYR   1 109.095   4.480   3.530
   20   H112  MYR   1          2H11      MYR   1 109.079   4.844   5.115
   21   H121  MYR   1          1H12      MYR   1 107.082   3.987   5.363
   22   H122  MYR   1          2H12      MYR   1 106.491   4.874   4.131
   23   H131  MYR   1          1H13      MYR   1 107.363   3.221   2.594
   24   H132  MYR   1          2H13      MYR   1 107.785   2.303   3.870
   25   H141  MYR   1          1H14      MYR   1 105.796   1.394   3.418
   26   H142  MYR   1          2H14      MYR   1 105.323   2.556   4.466
   27   H143  MYR   1          3H14      MYR   1 105.175   2.797   2.858
   28    H    GLY   2           HN       GLY   2 118.252   8.986   0.223
   29    HA2  GLY   2           HA2      GLY   2 120.104  10.382   0.711
   30    HA3  GLY   2           HA1      GLY   2 119.090  11.791   0.413
   31    H    GLN   3           HN       GLN   3 118.991  12.930   2.248
   32    HA   GLN   3           HA       GLN   3 119.286  11.844   4.849
   33    HB2  GLN   3           HB2      GLN   3 118.109  14.489   3.963
   34    HB3  GLN   3           HB1      GLN   3 118.559  14.082   5.619
   35    HG2  GLN   3           HG2      GLN   3 120.469  14.048   3.267
   36    HG3  GLN   3           HG1      GLN   3 120.335  15.370   4.423
   37   HE21  GLN   3          HE21      GLN   3 122.349  12.909   3.780
   38   HE22  GLN   3          HE22      GLN   3 122.805  12.451   5.350
   39    H    GLU   4           HN       GLU   4 116.561  12.254   2.756
   40    HA   GLU   4           HA       GLU   4 114.437  12.303   4.556
   41    HB2  GLU   4           HB2      GLU   4 114.665  11.040   1.825
   42    HB3  GLU   4           HB1      GLU   4 113.150  11.150   2.718
   43    HG2  GLU   4           HG2      GLU   4 113.295  13.570   2.779
   44    HG3  GLU   4           HG1      GLU   4 114.899  13.533   2.049
   45    H    LEU   5           HN       LEU   5 116.687   9.813   3.888
   46    HA   LEU   5           HA       LEU   5 115.387   7.457   4.298
   47    HB2  LEU   5           HB2      LEU   5 117.862   7.730   3.972
   48    HB3  LEU   5           HB1      LEU   5 117.984   8.190   5.666
   49    HG   LEU   5           HG       LEU   5 116.934   6.006   6.298
   50   HD11  LEU   5          HD11      LEU   5 115.725   5.174   4.518
   51   HD12  LEU   5          HD12      LEU   5 117.233   4.311   4.244
   52   HD13  LEU   5          HD13      LEU   5 116.872   5.765   3.319
   53   HD21  LEU   5          HD21      LEU   5 119.451   5.896   4.613
   54   HD22  LEU   5          HD22      LEU   5 118.930   4.620   5.712
   55   HD23  LEU   5          HD23      LEU   5 119.357   6.209   6.347
   56    H    SER   6           HN       SER   6 116.130   9.911   6.700
   57    HA   SER   6           HA       SER   6 115.633   8.543   9.067
   58    HB2  SER   6           HB2      SER   6 114.831  11.387   8.407
   59    HB3  SER   6           HB1      SER   6 115.029  10.714  10.023
   60    HG   SER   6           HG       SER   6 117.237  10.129   9.076
   61    H    GLN   7           HN       GLN   7 113.378   9.786   6.670
   62    HA   GLN   7           HA       GLN   7 110.993   9.698   8.082
   63    HB2  GLN   7           HB2      GLN   7 111.265  10.525   5.732
   64    HB3  GLN   7           HB1      GLN   7 111.386   8.849   5.199
   65    HG2  GLN   7           HG2      GLN   7 109.089   9.618   4.916
   66    HG3  GLN   7           HG1      GLN   7 109.140   8.403   6.188
   67   HE21  GLN   7          HE21      GLN   7 107.405   9.157   7.499
   68   HE22  GLN   7          HE22      GLN   7 107.396  10.686   8.235
   69    H    HIS   8           HN       HIS   8 112.719   7.066   6.415
   70    HA   HIS   8           HA       HIS   8 110.794   5.049   6.814
   71    HB2  HIS   8           HB2      HIS   8 113.784   4.996   6.443
   72    HB3  HIS   8           HB1      HIS   8 112.846   3.518   6.646
   73    HD1  HIS   8           HD1      HIS   8 111.181   2.880   4.755
   74    HD2  HIS   8           HD2      HIS   8 113.371   6.335   3.964
   75    HE1  HIS   8           HE1      HIS   8 110.828   3.407   2.302
   76    HE2  HIS   8           HE2      HIS   8 112.158   5.512   1.805
   77    H    GLU   9           HN       GLU   9 113.654   5.958   8.741
   78    HA   GLU   9           HA       GLU   9 113.487   4.059  10.759
   79    HB2  GLU   9           HB2      GLU   9 114.262   6.977  10.899
   80    HB3  GLU   9           HB1      GLU   9 114.460   5.869  12.252
   81    HG2  GLU   9           HG2      GLU   9 115.624   5.394   9.497
   82    HG3  GLU   9           HG1      GLU   9 116.522   6.117  10.830
   83    H    ARG  10           HN       ARG  10 111.482   6.857  10.225
   84    HA   ARG  10           HA       ARG  10 110.134   6.641  12.799
   85    HB2  ARG  10           HB2      ARG  10 109.281   8.269  10.401
   86    HB3  ARG  10           HB1      ARG  10 108.807   8.501  12.074
   87    HG2  ARG  10           HG2      ARG  10 111.720   8.625  11.300
   88    HG3  ARG  10           HG1      ARG  10 110.689  10.038  11.146
   89    HD2  ARG  10           HD2      ARG  10 110.066   9.778  13.552
   90    HD3  ARG  10           HD1      ARG  10 111.210   8.451  13.677
   91    HE   ARG  10           HE       ARG  10 111.853  11.280  13.443
   92   HH11  ARG  10          HH11      ARG  10 114.043  11.768  13.792
   93   HH12  ARG  10          HH12      ARG  10 115.212  10.491  13.846
   94   HH21  ARG  10          HH21      ARG  10 112.886   7.979  13.306
   95   HH22  ARG  10          HH22      ARG  10 114.556   8.346  13.572
   96    H    TYR  11           HN       TYR  11 109.295   6.116   9.385
   97    HA   TYR  11           HA       TYR  11 106.684   5.232   9.686
   98    HB2  TYR  11           HB2      TYR  11 107.698   5.590   7.488
   99    HB3  TYR  11           HB1      TYR  11 108.787   4.226   7.748
  100    HD1  TYR  11           HD1      TYR  11 108.084   1.994   7.330
  101    HD2  TYR  11           HD2      TYR  11 105.201   5.176   7.436
  102    HE1  TYR  11           HE1      TYR  11 106.349   0.447   6.468
  103    HE2  TYR  11           HE2      TYR  11 103.464   3.624   6.585
  104    HH   TYR  11           HH       TYR  11 104.045   0.868   5.071
  105    H    VAL  12           HN       VAL  12 109.713   3.401   9.992
  106    HA   VAL  12           HA       VAL  12 108.543   0.835  10.350
  107    HB   VAL  12           HB       VAL  12 111.185   2.057  11.130
  108   HG11  VAL  12          HG11      VAL  12 111.708  -0.488  11.610
  109   HG12  VAL  12          HG12      VAL  12 109.984  -0.568  11.964
  110   HG13  VAL  12          HG13      VAL  12 111.023   0.528  12.879
  111   HG21  VAL  12          HG21      VAL  12 112.029   0.647   9.395
  112   HG22  VAL  12          HG22      VAL  12 110.548   1.345   8.745
  113   HG23  VAL  12          HG23      VAL  12 110.549  -0.313   9.354
  114    H    GLU  13           HN       GLU  13 109.700   3.201  12.753
  115    HA   GLU  13           HA       GLU  13 108.791   1.699  15.001
  116    HB2  GLU  13           HB2      GLU  13 110.532   3.488  15.101
  117    HB3  GLU  13           HB1      GLU  13 109.263   4.683  14.835
  118    HG2  GLU  13           HG2      GLU  13 108.115   3.964  16.874
  119    HG3  GLU  13           HG1      GLU  13 109.323   2.705  17.132
  120    H    GLN  14           HN       GLN  14 107.340   4.259  13.063
  121    HA   GLN  14           HA       GLN  14 105.065   4.622  14.713
  122    HB2  GLN  14           HB2      GLN  14 105.876   6.340  13.105
  123    HB3  GLN  14           HB1      GLN  14 105.412   5.274  11.775
  124    HG2  GLN  14           HG2      GLN  14 103.651   6.944  12.194
  125    HG3  GLN  14           HG1      GLN  14 103.058   5.323  12.586
  126   HE21  GLN  14          HE21      GLN  14 101.565   5.909  14.254
  127   HE22  GLN  14          HE22      GLN  14 102.050   6.639  15.709
  128    H    LEU  15           HN       LEU  15 105.033   3.488  11.358
  129    HA   LEU  15           HA       LEU  15 102.623   2.342  11.188
  130    HB2  LEU  15           HB2      LEU  15 104.753   2.204   9.581
  131    HB3  LEU  15           HB1      LEU  15 104.882   0.594  10.283
  132    HG   LEU  15           HG       LEU  15 103.543   0.471   8.242
  133   HD11  LEU  15          HD11      LEU  15 102.861  -0.767  10.429
  134   HD12  LEU  15          HD12      LEU  15 101.692  -0.692   9.122
  135   HD13  LEU  15          HD13      LEU  15 101.539   0.399  10.488
  136   HD21  LEU  15          HD21      LEU  15 102.035   2.060   7.642
  137   HD22  LEU  15          HD22      LEU  15 102.738   3.037   8.927
  138   HD23  LEU  15          HD23      LEU  15 101.301   2.083   9.239
  139    H    LYS  16           HN       LYS  16 105.430   0.783  12.717
  140    HA   LYS  16           HA       LYS  16 104.126  -1.617  13.428
  141    HB2  LYS  16           HB2      LYS  16 106.543  -0.197  14.493
  142    HB3  LYS  16           HB1      LYS  16 105.964  -1.683  15.222
  143    HG2  LYS  16           HG2      LYS  16 106.082  -2.797  13.011
  144    HG3  LYS  16           HG1      LYS  16 106.732  -1.312  12.327
  145    HD2  LYS  16           HD2      LYS  16 108.690  -1.419  13.714
  146    HD3  LYS  16           HD1      LYS  16 108.032  -2.777  14.631
  147    HE2  LYS  16           HE2      LYS  16 107.924  -3.983  12.323
  148    HE3  LYS  16           HE1      LYS  16 109.060  -2.738  11.806
  149    HZ1  LYS  16           HZ1      LYS  16 109.391  -4.709  13.982
  150    HZ2  LYS  16           HZ2      LYS  16 110.405  -3.367  13.799
  151    HZ3  LYS  16           HZ3      LYS  16 110.328  -4.548  12.581
  152    H    GLN  17           HN       GLN  17 104.449   1.462  15.075
  153    HA   GLN  17           HA       GLN  17 103.257   0.690  17.547
  154    HB2  GLN  17           HB2      GLN  17 103.778   3.300  16.190
  155    HB3  GLN  17           HB1      GLN  17 102.708   3.266  17.582
  156    HG2  GLN  17           HG2      GLN  17 104.435   2.224  18.934
  157    HG3  GLN  17           HG1      GLN  17 105.497   2.090  17.540
  158   HE21  GLN  17          HE21      GLN  17 106.663   3.470  19.529
  159   HE22  GLN  17          HE22      GLN  17 106.603   5.146  19.272
  160    H    ALA  18           HN       ALA  18 101.883   2.527  14.803
  161    HA   ALA  18           HA       ALA  18  99.229   2.550  15.641
  162    HB1  ALA  18           HB1      ALA  18 100.313   2.431  12.819
  163    HB2  ALA  18           HB2      ALA  18 100.011   3.893  13.757
  164    HB3  ALA  18           HB3      ALA  18  98.663   2.873  13.255
  165    H    LEU  19           HN       LEU  19 101.147  -0.013  14.668
  166    HA   LEU  19           HA       LEU  19  98.923  -1.724  13.815
  167    HB2  LEU  19           HB2      LEU  19 101.854  -1.921  13.717
  168    HB3  LEU  19           HB1      LEU  19 101.021  -3.452  13.958
  169    HG   LEU  19           HG       LEU  19 100.391  -1.457  11.762
  170   HD11  LEU  19          HD11      LEU  19 102.644  -2.740  11.690
  171   HD12  LEU  19          HD12      LEU  19 101.601  -2.819  10.272
  172   HD13  LEU  19          HD13      LEU  19 101.649  -4.168  11.405
  173   HD21  LEU  19          HD21      LEU  19  99.076  -3.866  12.795
  174   HD22  LEU  19          HD22      LEU  19  99.413  -3.968  11.071
  175   HD23  LEU  19          HD23      LEU  19  98.450  -2.635  11.704
  176    H    LYS  20           HN       LYS  20 101.400  -1.789  16.361
  177    HA   LYS  20           HA       LYS  20 100.701  -3.960  17.801
  178    HB2  LYS  20           HB2      LYS  20 102.505  -2.367  18.424
  179    HB3  LYS  20           HB1      LYS  20 101.273  -1.258  19.025
  180    HG2  LYS  20           HG2      LYS  20 100.527  -2.907  20.663
  181    HG3  LYS  20           HG1      LYS  20 101.669  -4.092  20.026
  182    HD2  LYS  20           HD2      LYS  20 103.550  -2.646  20.657
  183    HD3  LYS  20           HD1      LYS  20 102.428  -1.426  21.261
  184    HE2  LYS  20           HE2      LYS  20 103.038  -2.605  23.207
  185    HE3  LYS  20           HE1      LYS  20 101.502  -3.342  22.755
  186    HZ1  LYS  20           HZ1      LYS  20 102.957  -4.965  21.439
  187    HZ2  LYS  20           HZ2      LYS  20 102.885  -5.143  23.128
  188    HZ3  LYS  20           HZ3      LYS  20 104.232  -4.401  22.406
  189    H    THR  21           HN       THR  21  98.997  -0.875  17.758
  190    HA   THR  21           HA       THR  21  97.175  -1.403  19.846
  191    HB   THR  21           HB       THR  21  97.279   0.827  19.094
  192    HG1  THR  21           HG1      THR  21  95.202   1.126  19.020
  193   HG21  THR  21          HG21      THR  21  96.389   1.022  16.511
  194   HG22  THR  21          HG22      THR  21  97.319  -0.476  16.470
  195   HG23  THR  21          HG23      THR  21  98.090   1.023  16.987
  196    H    ARG  22           HN       ARG  22  97.153  -2.290  16.443
  197    HA   ARG  22           HA       ARG  22  94.468  -3.211  16.378
  198    HB2  ARG  22           HB2      ARG  22  96.859  -3.666  14.609
  199    HB3  ARG  22           HB1      ARG  22  95.339  -4.490  14.314
  200    HG2  ARG  22           HG2      ARG  22  95.309  -1.525  14.739
  201    HG3  ARG  22           HG1      ARG  22  95.832  -2.148  13.166
  202    HD2  ARG  22           HD2      ARG  22  93.237  -2.980  14.499
  203    HD3  ARG  22           HD1      ARG  22  93.354  -1.658  13.351
  204    HE   ARG  22           HE       ARG  22  94.544  -3.892  12.166
  205   HH11  ARG  22          HH11      ARG  22  93.353  -5.169  10.714
  206   HH12  ARG  22          HH12      ARG  22  91.621  -5.143  10.765
  207   HH21  ARG  22          HH21      ARG  22  91.469  -2.870  13.379
  208   HH22  ARG  22          HH22      ARG  22  90.555  -3.841  12.274
  209    H    GLY  23           HN       GLY  23  97.182  -4.400  17.911
  210    HA2  GLY  23           HA2      GLY  23  96.917  -6.306  19.418
  211    HA3  GLY  23           HA1      GLY  23  95.908  -7.062  18.189
  212    H    VAL  24           HN       VAL  24  98.877  -5.402  17.362
  213    HA   VAL  24           HA       VAL  24 100.022  -7.998  16.574
  214    HB   VAL  24           HB       VAL  24 100.962  -5.305  15.614
  215   HG11  VAL  24          HG11      VAL  24 101.102  -8.140  14.544
  216   HG12  VAL  24          HG12      VAL  24 102.443  -7.139  15.096
  217   HG13  VAL  24          HG13      VAL  24 101.589  -6.723  13.619
  218   HG21  VAL  24          HG21      VAL  24  98.553  -6.911  14.803
  219   HG22  VAL  24          HG22      VAL  24  99.448  -6.038  13.561
  220   HG23  VAL  24          HG23      VAL  24  98.732  -5.160  14.914
  221    H    LYS  25           HN       LYS  25 102.474  -8.063  16.647
  222    HA   LYS  25           HA       LYS  25 103.400  -6.812  19.146
  223    HB2  LYS  25           HB2      LYS  25 104.308  -9.356  17.796
  224    HB3  LYS  25           HB1      LYS  25 105.009  -8.693  19.273
  225    HG2  LYS  25           HG2      LYS  25 102.711  -8.787  20.309
  226    HG3  LYS  25           HG1      LYS  25 102.164  -9.656  18.878
  227    HD2  LYS  25           HD2      LYS  25 104.478 -10.560  20.612
  228    HD3  LYS  25           HD1      LYS  25 102.829 -11.157  20.793
  229    HE2  LYS  25           HE2      LYS  25 102.974 -11.734  18.269
  230    HE3  LYS  25           HE1      LYS  25 104.713 -11.529  18.466
  231    HZ1  LYS  25           HZ1      LYS  25 104.204 -13.798  18.815
  232    HZ2  LYS  25           HZ2      LYS  25 102.957 -13.426  19.908
  233    HZ3  LYS  25           HZ3      LYS  25 104.575 -13.134  20.331
  234    H    VAL  26           HN       VAL  26 105.457  -5.876  19.220
  235    HA   VAL  26           HA       VAL  26 106.801  -5.503  16.612
  236    HB   VAL  26           HB       VAL  26 107.196  -3.165  17.152
  237   HG11  VAL  26          HG11      VAL  26 105.102  -3.699  16.000
  238   HG12  VAL  26          HG12      VAL  26 104.849  -2.356  17.120
  239   HG13  VAL  26          HG13      VAL  26 104.298  -3.972  17.545
  240   HG21  VAL  26          HG21      VAL  26 107.314  -2.735  19.394
  241   HG22  VAL  26          HG22      VAL  26 106.250  -4.084  19.799
  242   HG23  VAL  26          HG23      VAL  26 105.565  -2.543  19.291
  243    H    LYS  27           HN       LYS  27 108.293  -7.117  17.231
  244    HA   LYS  27           HA       LYS  27 110.080  -6.348  19.438
  245    HB2  LYS  27           HB2      LYS  27 108.886  -8.682  19.357
  246    HB3  LYS  27           HB1      LYS  27 110.122  -9.053  18.157
  247    HG2  LYS  27           HG2      LYS  27 111.300  -7.757  20.494
  248    HG3  LYS  27           HG1      LYS  27 110.385  -9.183  20.957
  249    HD2  LYS  27           HD2      LYS  27 111.645 -10.413  19.086
  250    HD3  LYS  27           HD1      LYS  27 112.664  -8.985  18.998
  251    HE2  LYS  27           HE2      LYS  27 113.233  -9.225  21.375
  252    HE3  LYS  27           HE1      LYS  27 112.212 -10.660  21.467
  253    HZ1  LYS  27           HZ1      LYS  27 114.135 -10.707  19.319
  254    HZ2  LYS  27           HZ2      LYS  27 113.737 -11.910  20.451
  255    HZ3  LYS  27           HZ3      LYS  27 114.833 -10.680  20.865
  256    H    TYR  28           HN       TYR  28 112.423  -6.944  19.091
  257    HA   TYR  28           HA       TYR  28 113.492  -5.592  16.903
  258    HB2  TYR  28           HB2      TYR  28 114.747  -7.799  18.555
  259    HB3  TYR  28           HB1      TYR  28 115.626  -6.689  17.503
  260    HD1  TYR  28           HD1      TYR  28 113.874  -7.082  20.690
  261    HD2  TYR  28           HD2      TYR  28 115.730  -4.269  18.028
  262    HE1  TYR  28           HE1      TYR  28 113.942  -5.402  22.513
  263    HE2  TYR  28           HE2      TYR  28 115.798  -2.589  19.850
  264    HH   TYR  28           HH       TYR  28 114.720  -2.093  21.931
  265    H    ALA  29           HN       ALA  29 112.859  -9.053  17.325
  266    HA   ALA  29           HA       ALA  29 114.040 -10.011  15.008
  267    HB1  ALA  29           HB1      ALA  29 112.014 -10.984  16.892
  268    HB2  ALA  29           HB2      ALA  29 113.408 -11.811  16.211
  269    HB3  ALA  29           HB3      ALA  29 111.918 -11.680  15.278
  270    H    ASP  30           HN       ASP  30 111.201  -8.151  15.464
  271    HA   ASP  30           HA       ASP  30 109.833  -8.878  13.041
  272    HB2  ASP  30           HB2      ASP  30 108.763  -7.822  15.069
  273    HB3  ASP  30           HB1      ASP  30 109.525  -6.315  14.584
  274    H    LEU  31           HN       LEU  31 112.058  -6.300  13.970
  275    HA   LEU  31           HA       LEU  31 111.913  -4.859  11.509
  276    HB2  LEU  31           HB2      LEU  31 113.945  -5.046  13.749
  277    HB3  LEU  31           HB1      LEU  31 114.301  -4.114  12.294
  278    HG   LEU  31           HG       LEU  31 111.867  -3.121  12.799
  279   HD11  LEU  31          HD11      LEU  31 112.964  -3.782  15.545
  280   HD12  LEU  31          HD12      LEU  31 111.617  -4.640  14.799
  281   HD13  LEU  31          HD13      LEU  31 111.468  -2.926  15.189
  282   HD21  LEU  31          HD21      LEU  31 113.760  -1.708  12.580
  283   HD22  LEU  31          HD22      LEU  31 114.488  -2.338  14.059
  284   HD23  LEU  31          HD23      LEU  31 113.041  -1.334  14.146
  285    H    LEU  32           HN       LEU  32 114.046  -7.469  12.634
  286    HA   LEU  32           HA       LEU  32 115.820  -7.482  10.470
  287    HB2  LEU  32           HB2      LEU  32 114.826  -9.947  11.922
  288    HB3  LEU  32           HB1      LEU  32 116.399  -9.712  11.151
  289    HG   LEU  32           HG       LEU  32 115.380  -8.145  13.555
  290   HD11  LEU  32          HD11      LEU  32 117.826  -9.726  13.851
  291   HD12  LEU  32          HD12      LEU  32 116.425 -10.728  13.471
  292   HD13  LEU  32          HD13      LEU  32 116.396  -9.667  14.879
  293   HD21  LEU  32          HD21      LEU  32 116.852  -6.664  12.528
  294   HD22  LEU  32          HD22      LEU  32 117.797  -7.949  11.777
  295   HD23  LEU  32          HD23      LEU  32 117.986  -7.605  13.496
  296    H    LYS  33           HN       LYS  33 112.848  -9.382  10.906
  297    HA   LYS  33           HA       LYS  33 112.986 -10.529   8.298
  298    HB2  LYS  33           HB2      LYS  33 111.836 -11.627  10.208
  299    HB3  LYS  33           HB1      LYS  33 110.609 -10.360  10.171
  300    HG2  LYS  33           HG2      LYS  33 110.062 -10.989   7.824
  301    HG3  LYS  33           HG1      LYS  33 111.261 -12.280   7.911
  302    HD2  LYS  33           HD2      LYS  33 110.011 -13.301   9.788
  303    HD3  LYS  33           HD1      LYS  33 108.808 -12.015   9.673
  304    HE2  LYS  33           HE2      LYS  33 108.305 -12.692   7.350
  305    HE3  LYS  33           HE1      LYS  33 109.495 -13.986   7.480
  306    HZ1  LYS  33           HZ1      LYS  33 107.113 -13.699   9.222
  307    HZ2  LYS  33           HZ2      LYS  33 108.231 -14.977   9.245
  308    HZ3  LYS  33           HZ3      LYS  33 107.221 -14.752   7.898
  309    H    PHE  34           HN       PHE  34 110.812  -8.105   9.747
  310    HA   PHE  34           HA       PHE  34 109.373  -7.551   7.425
  311    HB2  PHE  34           HB2      PHE  34 108.700  -6.858   9.719
  312    HB3  PHE  34           HB1      PHE  34 109.981  -5.646   9.699
  313    HD1  PHE  34           HD1      PHE  34 109.675  -3.556   8.620
  314    HD2  PHE  34           HD2      PHE  34 106.879  -6.745   7.937
  315    HE1  PHE  34           HE1      PHE  34 108.179  -1.987   7.416
  316    HE2  PHE  34           HE2      PHE  34 105.383  -5.175   6.733
  317    HZ   PHE  34           HZ       PHE  34 106.033  -2.796   6.473
  318    H    PHE  35           HN       PHE  35 112.314  -6.088   8.675
  319    HA   PHE  35           HA       PHE  35 112.423  -4.019   6.673
  320    HB2  PHE  35           HB2      PHE  35 113.507  -4.016   9.000
  321    HB3  PHE  35           HB1      PHE  35 114.789  -4.992   8.266
  322    HD1  PHE  35           HD1      PHE  35 113.545  -1.707   8.873
  323    HD2  PHE  35           HD2      PHE  35 115.791  -4.034   6.039
  324    HE1  PHE  35           HE1      PHE  35 114.523   0.373   7.924
  325    HE2  PHE  35           HE2      PHE  35 116.763  -1.960   5.098
  326    HZ   PHE  35           HZ       PHE  35 116.132   0.244   6.041
  327    H    ASP  36           HN       ASP  36 114.019  -7.165   7.159
  328    HA   ASP  36           HA       ASP  36 115.685  -6.987   4.861
  329    HB2  ASP  36           HB2      ASP  36 116.176  -8.510   6.719
  330    HB3  ASP  36           HB1      ASP  36 114.718  -9.433   6.351
  331    H    PHE  37           HN       PHE  37 112.437  -8.205   5.422
  332    HA   PHE  37           HA       PHE  37 112.058  -9.675   3.087
  333    HB2  PHE  37           HB2      PHE  37 110.333  -8.364   5.081
  334    HB3  PHE  37           HB1      PHE  37 109.593  -8.560   3.498
  335    HD1  PHE  37           HD1      PHE  37 108.132 -10.389   3.661
  336    HD2  PHE  37           HD2      PHE  37 112.094 -10.695   5.292
  337    HE1  PHE  37           HE1      PHE  37 107.756 -12.796   4.123
  338    HE2  PHE  37           HE2      PHE  37 111.717 -13.103   5.754
  339    HZ   PHE  37           HZ       PHE  37 109.549 -14.154   5.165
  340    H    VAL  38           HN       VAL  38 111.353  -6.250   3.697
  341    HA   VAL  38           HA       VAL  38 110.588  -5.729   0.970
  342    HB   VAL  38           HB       VAL  38 110.837  -3.308   1.689
  343   HG11  VAL  38          HG11      VAL  38 108.857  -3.381   3.071
  344   HG12  VAL  38          HG12      VAL  38 109.192  -5.039   3.559
  345   HG13  VAL  38          HG13      VAL  38 108.733  -4.687   1.895
  346   HG21  VAL  38          HG21      VAL  38 111.523  -4.668   4.307
  347   HG22  VAL  38          HG22      VAL  38 111.138  -2.967   4.141
  348   HG23  VAL  38          HG23      VAL  38 112.579  -3.623   3.376
  349    H    LYS  39           HN       LYS  39 113.552  -5.263   2.832
  350    HA   LYS  39           HA       LYS  39 115.022  -3.847   0.881
  351    HB2  LYS  39           HB2      LYS  39 115.680  -4.161   3.290
  352    HB3  LYS  39           HB1      LYS  39 116.133  -5.818   2.893
  353    HG2  LYS  39           HG2      LYS  39 117.758  -5.024   1.252
  354    HG3  LYS  39           HG1      LYS  39 117.270  -3.354   1.545
  355    HD2  LYS  39           HD2      LYS  39 117.998  -3.544   3.891
  356    HD3  LYS  39           HD1      LYS  39 118.485  -5.216   3.609
  357    HE2  LYS  39           HE2      LYS  39 120.102  -4.458   1.905
  358    HE3  LYS  39           HE1      LYS  39 119.618  -2.786   2.188
  359    HZ1  LYS  39           HZ1      LYS  39 120.173  -3.467   4.653
  360    HZ2  LYS  39           HZ2      LYS  39 121.380  -2.919   3.590
  361    HZ3  LYS  39           HZ3      LYS  39 121.188  -4.583   3.878
  362    H    ASP  40           HN       ASP  40 114.175  -7.208   1.153
  363    HA   ASP  40           HA       ASP  40 116.178  -8.419  -0.347
  364    HB2  ASP  40           HB2      ASP  40 114.300  -9.577   0.865
  365    HB3  ASP  40           HB1      ASP  40 113.237  -9.122  -0.464
  366    H    THR  41           HN       THR  41 113.039  -7.208  -1.552
  367    HA   THR  41           HA       THR  41 114.245  -7.040  -4.248
  368    HB   THR  41           HB       THR  41 111.803  -7.073  -4.995
  369    HG1  THR  41           HG1      THR  41 110.819  -8.437  -3.028
  370   HG21  THR  41          HG21      THR  41 113.218  -9.389  -3.686
  371   HG22  THR  41          HG22      THR  41 113.041  -9.036  -5.405
  372   HG23  THR  41          HG23      THR  41 111.657  -9.609  -4.474
  373    H    CYS  42           HN       CYS  42 113.385  -5.186  -1.657
  374    HA   CYS  42           HA       CYS  42 112.669  -2.991  -1.378
  375    HB2  CYS  42           HB2      CYS  42 114.310  -2.373  -3.803
  376    HB3  CYS  42           HB1      CYS  42 114.193  -1.499  -2.275
  377    HG   CYS  42           HG       CYS  42 116.186  -3.668  -2.860
  378    HA   PRO  43           HA       PRO  43 109.753  -3.015  -5.006
  379    HB2  PRO  43           HB2      PRO  43 107.513  -3.915  -3.757
  380    HB3  PRO  43           HB1      PRO  43 108.713  -4.998  -4.483
  381    HG2  PRO  43           HG2      PRO  43 108.207  -4.366  -1.653
  382    HG3  PRO  43           HG1      PRO  43 108.845  -5.841  -2.383
  383    HD2  PRO  43           HD2      PRO  43 110.357  -3.833  -1.093
  384    HD3  PRO  43           HD1      PRO  43 110.980  -5.162  -2.089
  385    H    TRP  44           HN       TRP  44 109.861  -1.685  -1.871
  386    HA   TRP  44           HA       TRP  44 107.542   0.007  -2.087
  387    HB2  TRP  44           HB2      TRP  44 109.504  -0.655  -0.075
  388    HB3  TRP  44           HB1      TRP  44 109.286   1.089  -0.164
  389    HD1  TRP  44           HD1      TRP  44 106.956   2.090   0.499
  390    HE1  TRP  44           HE1      TRP  44 104.900   1.100   1.693
  391    HE3  TRP  44           HE3      TRP  44 108.087  -2.881   0.226
  392    HZ2  TRP  44           HZ2      TRP  44 103.870  -1.464   2.431
  393    HZ3  TRP  44           HZ3      TRP  44 106.546  -4.574   1.182
  394    HH2  TRP  44           HH2      TRP  44 104.447  -3.870   2.292
  395    H    PHE  45           HN       PHE  45 109.752   0.085  -4.162
  396    HA   PHE  45           HA       PHE  45 110.809   1.650  -5.438
  397    HB2  PHE  45           HB2      PHE  45 108.455   3.023  -4.354
  398    HB3  PHE  45           HB1      PHE  45 109.706   4.048  -5.048
  399    HD1  PHE  45           HD1      PHE  45 110.769   2.995  -7.326
  400    HD2  PHE  45           HD2      PHE  45 106.803   2.288  -5.826
  401    HE1  PHE  45           HE1      PHE  45 110.017   2.376  -9.603
  402    HE2  PHE  45           HE2      PHE  45 106.052   1.679  -8.105
  403    HZ   PHE  45           HZ       PHE  45 107.659   1.715  -9.996
  404    HA   PRO  46           HA       PRO  46 113.381   3.030  -1.847
  405    HB2  PRO  46           HB2      PRO  46 115.769   2.253  -2.921
  406    HB3  PRO  46           HB1      PRO  46 114.710   1.169  -1.998
  407    HG2  PRO  46           HG2      PRO  46 115.058   1.423  -4.939
  408    HG3  PRO  46           HG1      PRO  46 114.841  -0.022  -3.943
  409    HD2  PRO  46           HD2      PRO  46 112.848   1.093  -5.401
  410    HD3  PRO  46           HD1      PRO  46 112.544   0.188  -3.905
  411    H    GLN  47           HN       GLN  47 113.012   3.944  -5.063
  412    HA   GLN  47           HA       GLN  47 115.174   5.896  -5.143
  413    HB2  GLN  47           HB2      GLN  47 112.800   5.461  -6.980
  414    HB3  GLN  47           HB1      GLN  47 114.157   6.537  -7.302
  415    HG2  GLN  47           HG2      GLN  47 115.718   4.661  -7.259
  416    HG3  GLN  47           HG1      GLN  47 114.413   3.554  -6.838
  417   HE21  GLN  47          HE21      GLN  47 115.356   2.562  -9.003
  418   HE22  GLN  47          HE22      GLN  47 114.608   3.089 -10.432
  419    H    GLU  48           HN       GLU  48 111.605   6.084  -5.246
  420    HA   GLU  48           HA       GLU  48 111.732   8.893  -4.369
  421    HB2  GLU  48           HB2      GLU  48 109.202   8.707  -4.685
  422    HB3  GLU  48           HB1      GLU  48 110.186   8.585  -6.130
  423    HG2  GLU  48           HG2      GLU  48 110.050   6.139  -6.050
  424    HG3  GLU  48           HG1      GLU  48 109.128   6.236  -4.553
  425    H    GLY  49           HN       GLY  49 111.070   5.725  -3.141
  426    HA2  GLY  49           HA2      GLY  49 110.611   4.977  -1.008
  427    HA3  GLY  49           HA1      GLY  49 110.991   6.599  -0.433
  428    H    THR  50           HN       THR  50 108.429   4.737  -2.066
  429    HA   THR  50           HA       THR  50 106.430   6.208  -0.487
  430    HB   THR  50           HB       THR  50 106.662   7.288  -2.753
  431    HG1  THR  50           HG1      THR  50 104.567   6.702  -1.426
  432   HG21  THR  50          HG21      THR  50 105.967   6.084  -4.721
  433   HG22  THR  50          HG22      THR  50 105.486   4.676  -3.764
  434   HG23  THR  50          HG23      THR  50 107.198   5.101  -3.921
  435    H    ILE  51           HN       ILE  51 104.221   5.171  -0.762
  436    HA   ILE  51           HA       ILE  51 104.554   2.280  -0.520
  437    HB   ILE  51           HB       ILE  51 101.923   3.657  -0.178
  438   HG12  ILE  51          HG12      ILE  51 104.339   3.902   1.615
  439   HG13  ILE  51          HG11      ILE  51 103.277   5.183   1.027
  440   HG21  ILE  51          HG21      ILE  51 102.506   1.119   0.089
  441   HG22  ILE  51          HG22      ILE  51 101.504   1.898   1.312
  442   HG23  ILE  51          HG23      ILE  51 103.211   1.625   1.623
  443   HD11  ILE  51          HD11      ILE  51 102.809   3.196   3.210
  444   HD12  ILE  51          HD12      ILE  51 101.429   3.821   2.310
  445   HD13  ILE  51          HD13      ILE  51 102.482   4.929   3.186
  446    H    ASP  52           HN       ASP  52 103.501   0.768  -1.832
  447    HA   ASP  52           HA       ASP  52 101.892   1.786  -4.069
  448    HB2  ASP  52           HB2      ASP  52 104.235   1.581  -4.866
  449    HB3  ASP  52           HB1      ASP  52 104.234  -0.099  -4.352
  450    H    ILE  53           HN       ILE  53 100.066   0.697  -4.077
  451    HA   ILE  53           HA       ILE  53  99.683  -1.721  -2.595
  452    HB   ILE  53           HB       ILE  53  97.809  -0.505  -4.633
  453   HG12  ILE  53          HG12      ILE  53  98.457   1.223  -3.030
  454   HG13  ILE  53          HG11      ILE  53  96.825   0.694  -2.636
  455   HG21  ILE  53          HG21      ILE  53  97.276  -2.801  -3.818
  456   HG22  ILE  53          HG22      ILE  53  96.087  -1.623  -3.272
  457   HG23  ILE  53          HG23      ILE  53  97.324  -2.208  -2.159
  458   HD11  ILE  53          HD11      ILE  53  98.080  -1.010  -1.038
  459   HD12  ILE  53          HD12      ILE  53  97.864   0.656  -0.530
  460   HD13  ILE  53          HD13      ILE  53  99.411   0.132  -1.195
  461    H    LYS  54           HN       LYS  54  99.985  -0.939  -6.016
  462    HA   LYS  54           HA       LYS  54  99.316  -3.483  -7.030
  463    HB2  LYS  54           HB2      LYS  54 101.099  -1.316  -8.174
  464    HB3  LYS  54           HB1      LYS  54 100.556  -2.734  -9.067
  465    HG2  LYS  54           HG2      LYS  54  98.197  -2.079  -8.644
  466    HG3  LYS  54           HG1      LYS  54  98.766  -0.630  -7.815
  467    HD2  LYS  54           HD2      LYS  54  99.912   0.101  -9.881
  468    HD3  LYS  54           HD1      LYS  54  99.322  -1.339 -10.711
  469    HE2  LYS  54           HE2      LYS  54  96.992  -0.627 -10.282
  470    HE3  LYS  54           HE1      LYS  54  97.590   0.824  -9.478
  471    HZ1  LYS  54           HZ1      LYS  54  98.899   1.024 -11.747
  472    HZ2  LYS  54           HZ2      LYS  54  97.331   1.647 -11.553
  473    HZ3  LYS  54           HZ3      LYS  54  97.565   0.147 -12.315
  474    H    ARG  55           HN       ARG  55 102.543  -2.029  -6.576
  475    HA   ARG  55           HA       ARG  55 103.985  -4.382  -7.158
  476    HB2  ARG  55           HB2      ARG  55 104.702  -1.883  -5.662
  477    HB3  ARG  55           HB1      ARG  55 105.849  -3.191  -5.877
  478    HG2  ARG  55           HG2      ARG  55 105.579  -3.025  -8.314
  479    HG3  ARG  55           HG1      ARG  55 104.398  -1.735  -8.108
  480    HD2  ARG  55           HD2      ARG  55 106.118  -0.359  -6.977
  481    HD3  ARG  55           HD1      ARG  55 107.295  -1.642  -7.219
  482    HE   ARG  55           HE       ARG  55 106.268   0.175  -9.253
  483   HH11  ARG  55          HH11      ARG  55 107.338   0.048 -11.253
  484   HH12  ARG  55          HH12      ARG  55 108.418  -1.268 -11.569
  485   HH21  ARG  55          HH21      ARG  55 107.939  -2.754  -8.474
  486   HH22  ARG  55          HH22      ARG  55 108.758  -2.854  -9.996
  487    H    TRP  56           HN       TRP  56 102.608  -3.128  -4.183
  488    HA   TRP  56           HA       TRP  56 103.906  -4.743  -2.335
  489    HB2  TRP  56           HB2      TRP  56 102.610  -3.024  -1.430
  490    HB3  TRP  56           HB1      TRP  56 101.194  -3.477  -2.377
  491    HD1  TRP  56           HD1      TRP  56  99.428  -4.586  -0.955
  492    HE1  TRP  56           HE1      TRP  56  99.403  -6.161   1.088
  493    HE3  TRP  56           HE3      TRP  56 104.450  -5.079  -0.151
  494    HZ2  TRP  56           HZ2      TRP  56 101.267  -7.457   2.827
  495    HZ3  TRP  56           HZ3      TRP  56 105.295  -6.490   1.692
  496    HH2  TRP  56           HH2      TRP  56 103.720  -7.681   3.178
  497    H    ARG  57           HN       ARG  57 101.173  -5.399  -4.438
  498    HA   ARG  57           HA       ARG  57 100.428  -7.884  -3.267
  499    HB2  ARG  57           HB2      ARG  57  98.913  -6.595  -4.730
  500    HB3  ARG  57           HB1      ARG  57  99.994  -6.889  -6.094
  501    HG2  ARG  57           HG2      ARG  57  99.641  -9.304  -5.882
  502    HG3  ARG  57           HG1      ARG  57  98.628  -9.051  -4.459
  503    HD2  ARG  57           HD2      ARG  57  97.116  -7.640  -5.911
  504    HD3  ARG  57           HD1      ARG  57  98.070  -8.156  -7.298
  505    HE   ARG  57           HE       ARG  57  96.187  -9.779  -5.784
  506   HH11  ARG  57          HH11      ARG  57  95.766 -11.823  -6.678
  507   HH12  ARG  57          HH12      ARG  57  96.777 -12.433  -7.945
  508   HH21  ARG  57          HH21      ARG  57  98.827  -9.638  -8.017
  509   HH22  ARG  57          HH22      ARG  57  98.510 -11.196  -8.702
  510    H    ARG  58           HN       ARG  58 102.583  -6.962  -5.929
  511    HA   ARG  58           HA       ARG  58 103.161  -9.536  -6.898
  512    HB2  ARG  58           HB2      ARG  58 104.781  -6.993  -6.815
  513    HB3  ARG  58           HB1      ARG  58 105.377  -8.460  -7.591
  514    HG2  ARG  58           HG2      ARG  58 103.395  -8.503  -9.053
  515    HG3  ARG  58           HG1      ARG  58 102.766  -7.060  -8.256
  516    HD2  ARG  58           HD2      ARG  58 104.708  -5.768  -9.005
  517    HD3  ARG  58           HD1      ARG  58 105.404  -7.208  -9.742
  518    HE   ARG  58           HE       ARG  58 103.877  -7.002 -11.503
  519   HH11  ARG  58          HH11      ARG  58 102.344  -5.809 -12.681
  520   HH12  ARG  58          HH12      ARG  58 101.522  -4.483 -11.928
  521   HH21  ARG  58          HH21      ARG  58 103.147  -4.858  -8.887
  522   HH22  ARG  58          HH22      ARG  58 101.977  -3.945  -9.781
  523    H    VAL  59           HN       VAL  59 104.913  -7.620  -4.462
  524    HA   VAL  59           HA       VAL  59 106.829  -9.632  -3.840
  525    HB   VAL  59           HB       VAL  59 107.284  -7.351  -3.213
  526   HG11  VAL  59          HG11      VAL  59 104.864  -7.505  -1.394
  527   HG12  VAL  59          HG12      VAL  59 104.882  -6.710  -2.964
  528   HG13  VAL  59          HG13      VAL  59 105.899  -6.103  -1.669
  529   HG21  VAL  59          HG21      VAL  59 106.716  -8.386  -0.492
  530   HG22  VAL  59          HG22      VAL  59 108.245  -7.847  -1.202
  531   HG23  VAL  59          HG23      VAL  59 107.641  -9.470  -1.540
  532    H    GLY  60           HN       GLY  60 103.624  -8.885  -2.562
  533    HA2  GLY  60           HA2      GLY  60 103.694 -10.599  -0.314
  534    HA3  GLY  60           HA1      GLY  60 102.237 -10.047  -1.137
  535    H    ASP  61           HN       ASP  61 102.566 -11.128  -3.650
  536    HA   ASP  61           HA       ASP  61 101.797 -13.845  -3.208
  537    HB2  ASP  61           HB2      ASP  61 102.211 -12.120  -5.635
  538    HB3  ASP  61           HB1      ASP  61 101.969 -13.856  -5.810
  539    H    CYS  62           HN       CYS  62 104.685 -12.272  -4.477
  540    HA   CYS  62           HA       CYS  62 106.041 -14.561  -5.370
  541    HB2  CYS  62           HB2      CYS  62 107.138 -11.971  -4.267
  542    HB3  CYS  62           HB1      CYS  62 108.103 -13.196  -5.091
  543    HG   CYS  62           HG       CYS  62 107.299 -11.446  -6.882
  544    H    PHE  63           HN       PHE  63 105.817 -13.079  -2.174
  545    HA   PHE  63           HA       PHE  63 107.724 -14.936  -1.017
  546    HB2  PHE  63           HB2      PHE  63 106.168 -12.581  -0.064
  547    HB3  PHE  63           HB1      PHE  63 106.699 -13.760   1.134
  548    HD1  PHE  63           HD1      PHE  63 108.860 -13.586   2.012
  549    HD2  PHE  63           HD2      PHE  63 108.003 -11.845  -1.820
  550    HE1  PHE  63           HE1      PHE  63 111.147 -12.634   1.931
  551    HE2  PHE  63           HE2      PHE  63 110.289 -10.892  -1.901
  552    HZ   PHE  63           HZ       PHE  63 111.863 -11.287  -0.025
  553    H    GLN  64           HN       GLN  64 104.234 -14.420  -1.053
  554    HA   GLN  64           HA       GLN  64 103.554 -16.357   0.878
  555    HB2  GLN  64           HB2      GLN  64 101.973 -14.641   0.094
  556    HB3  GLN  64           HB1      GLN  64 101.946 -15.403  -1.495
  557    HG2  GLN  64           HG2      GLN  64 100.982 -17.416  -0.596
  558    HG3  GLN  64           HG1      GLN  64 101.185 -16.840   1.057
  559   HE21  GLN  64          HE21      GLN  64  99.307 -15.975   1.929
  560   HE22  GLN  64          HE22      GLN  64  98.057 -15.255   1.034
  561    H    ASP  65           HN       ASP  65 103.939 -16.563  -2.627
  562    HA   ASP  65           HA       ASP  65 103.114 -19.285  -2.833
  563    HB2  ASP  65           HB2      ASP  65 103.665 -19.125  -5.082
  564    HB3  ASP  65           HB1      ASP  65 103.376 -17.434  -4.664
  565    H    TYR  66           HN       TYR  66 106.296 -17.703  -2.623
  566    HA   TYR  66           HA       TYR  66 107.814 -20.097  -2.817
  567    HB2  TYR  66           HB2      TYR  66 108.829 -17.934  -3.250
  568    HB3  TYR  66           HB1      TYR  66 108.506 -17.425  -1.594
  569    HD1  TYR  66           HD1      TYR  66 110.269 -17.593  -0.077
  570    HD2  TYR  66           HD2      TYR  66 110.076 -20.334  -3.381
  571    HE1  TYR  66           HE1      TYR  66 112.400 -18.627   0.654
  572    HE2  TYR  66           HE2      TYR  66 112.208 -21.365  -2.649
  573    HH   TYR  66           HH       TYR  66 113.491 -21.010   0.332
  574    H    TYR  67           HN       TYR  67 106.629 -18.221  -0.061
  575    HA   TYR  67           HA       TYR  67 107.838 -19.823   1.940
  576    HB2  TYR  67           HB2      TYR  67 107.044 -17.540   2.393
  577    HB3  TYR  67           HB1      TYR  67 105.387 -18.056   2.111
  578    HD1  TYR  67           HD1      TYR  67 108.380 -19.134   4.112
  579    HD2  TYR  67           HD2      TYR  67 104.118 -18.607   3.988
  580    HE1  TYR  67           HE1      TYR  67 108.218 -19.882   6.469
  581    HE2  TYR  67           HE2      TYR  67 103.959 -19.356   6.343
  582    HH   TYR  67           HH       TYR  67 106.213 -19.340   8.436
  583    H    ASN  68           HN       ASN  68 104.702 -19.917   0.329
  584    HA   ASN  68           HA       ASN  68 103.464 -21.818   1.978
  585    HB2  ASN  68           HB2      ASN  68 103.083 -21.039  -0.905
  586    HB3  ASN  68           HB1      ASN  68 102.119 -22.315  -0.166
  587   HD21  ASN  68          HD21      ASN  68 100.821 -19.972  -1.044
  588   HD22  ASN  68          HD22      ASN  68 100.306 -19.077   0.304
  589    H    THR  69           HN       THR  69 105.496 -22.198  -0.891
  590    HA   THR  69           HA       THR  69 105.212 -24.892  -1.408
  591    HB   THR  69           HB       THR  69 107.516 -24.846  -2.282
  592    HG1  THR  69           HG1      THR  69 108.678 -23.712  -0.872
  593   HG21  THR  69          HG21      THR  69 106.584 -23.749  -4.003
  594   HG22  THR  69          HG22      THR  69 106.971 -22.226  -3.212
  595   HG23  THR  69          HG23      THR  69 105.411 -22.991  -2.928
  596    H    PHE  70           HN       PHE  70 106.666 -23.418   1.348
  597    HA   PHE  70           HA       PHE  70 108.003 -25.851   2.176
  598    HB2  PHE  70           HB2      PHE  70 107.658 -23.150   3.491
  599    HB3  PHE  70           HB1      PHE  70 108.517 -24.492   4.247
  600    HD1  PHE  70           HD1      PHE  70 110.634 -25.321   3.327
  601    HD2  PHE  70           HD2      PHE  70 108.571 -22.003   1.550
  602    HE1  PHE  70           HE1      PHE  70 112.671 -24.748   2.033
  603    HE2  PHE  70           HE2      PHE  70 110.603 -21.433   0.251
  604    HZ   PHE  70           HZ       PHE  70 112.656 -22.804   0.494
  605    H    GLY  71           HN       GLY  71 104.942 -25.390   1.915
  606    HA2  GLY  71           HA2      GLY  71 103.010 -25.844   3.119
  607    HA3  GLY  71           HA1      GLY  71 103.942 -27.257   3.603
  608    HA   PRO  72           HA       PRO  72 104.702 -24.233   7.182
  609    HB2  PRO  72           HB2      PRO  72 103.960 -21.624   6.951
  610    HB3  PRO  72           HB1      PRO  72 105.511 -22.242   6.351
  611    HG2  PRO  72           HG2      PRO  72 103.062 -21.518   4.858
  612    HG3  PRO  72           HG1      PRO  72 104.755 -21.427   4.374
  613    HD2  PRO  72           HD2      PRO  72 102.963 -23.433   3.603
  614    HD3  PRO  72           HD1      PRO  72 104.727 -23.490   3.469
  615    H    GLU  73           HN       GLU  73 103.393 -24.520   8.903
  616    HA   GLU  73           HA       GLU  73 100.503 -24.406   8.531
  617    HB2  GLU  73           HB2      GLU  73 101.654 -26.318   9.708
  618    HB3  GLU  73           HB1      GLU  73 102.042 -25.195  11.011
  619    HG2  GLU  73           HG2      GLU  73 100.011 -26.283  11.657
  620    HG3  GLU  73           HG1      GLU  73  99.549 -24.670  11.130
  621    H    LYS  74           HN       LYS  74 103.070 -22.661  10.128
  622    HA   LYS  74           HA       LYS  74 101.507 -21.202  11.971
  623    HB2  LYS  74           HB2      LYS  74 103.994 -20.108  10.668
  624    HB3  LYS  74           HB1      LYS  74 103.416 -19.871  12.321
  625    HG2  LYS  74           HG2      LYS  74 104.528 -22.428  11.115
  626    HG3  LYS  74           HG1      LYS  74 105.256 -21.459  12.395
  627    HD2  LYS  74           HD2      LYS  74 103.114 -21.901  13.738
  628    HD3  LYS  74           HD1      LYS  74 102.733 -23.123  12.521
  629    HE2  LYS  74           HE2      LYS  74 104.739 -24.353  13.010
  630    HE3  LYS  74           HE1      LYS  74 105.340 -23.071  14.060
  631    HZ1  LYS  74           HZ1      LYS  74 104.079 -23.755  15.746
  632    HZ2  LYS  74           HZ2      LYS  74 103.934 -25.213  14.888
  633    HZ3  LYS  74           HZ3      LYS  74 102.721 -24.031  14.767
  634    H    VAL  75           HN       VAL  75 102.597 -20.424   8.674
  635    HA   VAL  75           HA       VAL  75 102.110 -18.482   7.443
  636    HB   VAL  75           HB       VAL  75  99.480 -19.858   7.855
  637   HG11  VAL  75          HG11      VAL  75 100.354 -17.556   6.190
  638   HG12  VAL  75          HG12      VAL  75  98.753 -17.949   6.817
  639   HG13  VAL  75          HG13      VAL  75  99.367 -18.774   5.384
  640   HG21  VAL  75          HG21      VAL  75 101.268 -20.071   5.449
  641   HG22  VAL  75          HG22      VAL  75 100.101 -21.239   6.078
  642   HG23  VAL  75          HG23      VAL  75 101.652 -21.015   6.889
  643    HA   PRO  76           HA       PRO  76 100.859 -15.803  11.031
  644    HB2  PRO  76           HB2      PRO  76 102.419 -13.902   9.338
  645    HB3  PRO  76           HB1      PRO  76 102.514 -14.188  11.086
  646    HG2  PRO  76           HG2      PRO  76 104.399 -15.087   9.445
  647    HG3  PRO  76           HG1      PRO  76 103.861 -16.046  10.838
  648    HD2  PRO  76           HD2      PRO  76 103.223 -16.396   7.940
  649    HD3  PRO  76           HD1      PRO  76 103.480 -17.635   9.200
  650    H    VAL  77           HN       VAL  77  98.909 -14.893  10.977
  651    HA   VAL  77           HA       VAL  77  97.692 -14.094   8.459
  652    HB   VAL  77           HB       VAL  77  96.613 -14.053  11.282
  653   HG11  VAL  77          HG11      VAL  77  95.409 -13.400   8.603
  654   HG12  VAL  77          HG12      VAL  77  95.314 -12.489  10.110
  655   HG13  VAL  77          HG13      VAL  77  94.403 -13.988   9.927
  656   HG21  VAL  77          HG21      VAL  77  95.437 -15.907   9.332
  657   HG22  VAL  77          HG22      VAL  77  96.037 -16.250  10.953
  658   HG23  VAL  77          HG23      VAL  77  97.153 -16.236   9.584
  659    H    THR  78           HN       THR  78  99.405 -12.595  10.996
  660    HA   THR  78           HA       THR  78  98.321 -10.069  11.200
  661    HB   THR  78           HB       THR  78 100.489  -9.308  11.875
  662    HG1  THR  78           HG1      THR  78 102.071 -11.321  11.278
  663   HG21  THR  78          HG21      THR  78 101.063 -10.938  13.507
  664   HG22  THR  78          HG22      THR  78 100.532 -12.268  12.477
  665   HG23  THR  78          HG23      THR  78  99.343 -11.187  13.206
  666    H    ALA  79           HN       ALA  79  99.945 -11.519   8.491
  667    HA   ALA  79           HA       ALA  79 100.790  -9.289   7.069
  668    HB1  ALA  79           HB1      ALA  79  99.849 -10.963   5.103
  669    HB2  ALA  79           HB2      ALA  79 100.092 -12.071   6.457
  670    HB3  ALA  79           HB3      ALA  79 101.435 -11.087   5.866
  671    H    PHE  80           HN       PHE  80  97.581 -10.497   7.648
  672    HA   PHE  80           HA       PHE  80  96.273  -9.097   5.525
  673    HB2  PHE  80           HB2      PHE  80  95.330 -11.091   6.716
  674    HB3  PHE  80           HB1      PHE  80  95.068 -10.062   8.123
  675    HD1  PHE  80           HD1      PHE  80  93.001  -9.000   8.335
  676    HD2  PHE  80           HD2      PHE  80  94.426 -10.057   4.422
  677    HE1  PHE  80           HE1      PHE  80  90.882  -8.185   7.344
  678    HE2  PHE  80           HE2      PHE  80  92.304  -9.240   3.431
  679    HZ   PHE  80           HZ       PHE  80  90.533  -8.304   4.892
  680    H    SER  81           HN       SER  81  97.125  -8.334   8.852
  681    HA   SER  81           HA       SER  81  95.508  -6.001   9.078
  682    HB2  SER  81           HB2      SER  81  96.406  -7.208  11.036
  683    HB3  SER  81           HB1      SER  81  98.038  -6.748  10.562
  684    HG   SER  81           HG       SER  81  96.642  -4.542  10.542
  685    H    TYR  82           HN       TYR  82  98.886  -6.572   8.153
  686    HA   TYR  82           HA       TYR  82  99.725  -3.911   7.975
  687    HB2  TYR  82           HB2      TYR  82 100.597  -6.496   6.832
  688    HB3  TYR  82           HB1      TYR  82 101.154  -5.060   5.987
  689    HD1  TYR  82           HD1      TYR  82 102.488  -3.339   7.177
  690    HD2  TYR  82           HD2      TYR  82 101.389  -7.048   9.045
  691    HE1  TYR  82           HE1      TYR  82 104.194  -2.958   8.939
  692    HE2  TYR  82           HE2      TYR  82 103.092  -6.666  10.807
  693    HH   TYR  82           HH       TYR  82 105.335  -5.295  10.928
  694    H    TRP  83           HN       TRP  83  98.478  -6.020   5.373
  695    HA   TRP  83           HA       TRP  83  98.467  -4.081   3.353
  696    HB2  TRP  83           HB2      TRP  83  98.179  -6.340   2.695
  697    HB3  TRP  83           HB1      TRP  83  96.810  -6.564   3.784
  698    HD1  TRP  83           HD1      TRP  83  97.745  -4.478   0.666
  699    HE1  TRP  83           HE1      TRP  83  95.603  -4.099  -0.718
  700    HE3  TRP  83           HE3      TRP  83  94.313  -6.692   3.730
  701    HZ2  TRP  83           HZ2      TRP  83  92.803  -4.662  -0.547
  702    HZ3  TRP  83           HZ3      TRP  83  91.918  -6.756   3.097
  703    HH2  TRP  83           HH2      TRP  83  91.160  -5.744   0.964
  704    H    ASN  84           HN       ASN  84  96.017  -4.897   5.763
  705    HA   ASN  84           HA       ASN  84  93.956  -3.282   4.710
  706    HB2  ASN  84           HB2      ASN  84  94.541  -4.474   7.406
  707    HB3  ASN  84           HB1      ASN  84  93.214  -3.327   7.230
  708   HD21  ASN  84          HD21      ASN  84  92.180  -4.010   4.718
  709   HD22  ASN  84          HD22      ASN  84  91.618  -5.611   4.747
  710    H    LEU  85           HN       LEU  85  96.397  -2.605   7.223
  711    HA   LEU  85           HA       LEU  85  95.487   0.015   7.728
  712    HB2  LEU  85           HB2      LEU  85  96.842  -1.227   9.349
  713    HB3  LEU  85           HB1      LEU  85  98.196  -1.240   8.220
  714    HG   LEU  85           HG       LEU  85  98.247   1.241   8.257
  715   HD11  LEU  85          HD11      LEU  85  96.115   2.016   8.750
  716   HD12  LEU  85          HD12      LEU  85  96.870   2.163  10.336
  717   HD13  LEU  85          HD13      LEU  85  95.834   0.782   9.978
  718   HD21  LEU  85          HD21      LEU  85  98.238   0.324  11.126
  719   HD22  LEU  85          HD22      LEU  85  99.364   1.404  10.311
  720   HD23  LEU  85          HD23      LEU  85  99.412  -0.328   9.986
  721    H    ILE  86           HN       ILE  86  98.228  -1.241   5.837
  722    HA   ILE  86           HA       ILE  86  99.150   1.240   4.912
  723    HB   ILE  86           HB       ILE  86  99.624  -1.575   4.285
  724   HG12  ILE  86          HG12      ILE  86 101.573   0.671   3.886
  725   HG13  ILE  86          HG11      ILE  86 101.056   0.296   5.531
  726   HG21  ILE  86          HG21      ILE  86 100.724  -0.977   2.087
  727   HG22  ILE  86          HG22      ILE  86  99.836   0.528   2.129
  728   HG23  ILE  86          HG23      ILE  86  98.965  -1.006   2.051
  729   HD11  ILE  86          HD11      ILE  86 101.964  -1.908   3.700
  730   HD12  ILE  86          HD12      ILE  86 101.945  -1.859   5.462
  731   HD13  ILE  86          HD13      ILE  86 103.144  -0.924   4.571
  732    H    LYS  87           HN       LYS  87  96.725  -0.971   3.660
  733    HA   LYS  87           HA       LYS  87  96.323   0.115   1.141
  734    HB2  LYS  87           HB2      LYS  87  95.144  -1.862   1.577
  735    HB3  LYS  87           HB1      LYS  87  94.495  -1.255   3.101
  736    HG2  LYS  87           HG2      LYS  87  92.989   0.248   1.957
  737    HG3  LYS  87           HG1      LYS  87  93.771  -0.083   0.399
  738    HD2  LYS  87           HD2      LYS  87  93.031  -2.451   0.586
  739    HD3  LYS  87           HD1      LYS  87  92.219  -2.057   2.102
  740    HE2  LYS  87           HE2      LYS  87  90.767  -0.461   0.959
  741    HE3  LYS  87           HE1      LYS  87  91.626  -0.728  -0.559
  742    HZ1  LYS  87           HZ1      LYS  87  90.914  -3.230   0.297
  743    HZ2  LYS  87           HZ2      LYS  87  90.169  -2.338  -0.943
  744    HZ3  LYS  87           HZ3      LYS  87  89.554  -2.276   0.640
  745    H    GLU  88           HN       GLU  88  94.780   1.055   4.244
  746    HA   GLU  88           HA       GLU  88  93.446   3.266   2.958
  747    HB2  GLU  88           HB2      GLU  88  92.179   3.396   4.873
  748    HB3  GLU  88           HB1      GLU  88  92.723   1.722   5.002
  749    HG2  GLU  88           HG2      GLU  88  93.209   2.568   7.121
  750    HG3  GLU  88           HG1      GLU  88  94.744   2.706   6.293
  751    H    LEU  89           HN       LEU  89  96.432   2.680   4.503
  752    HA   LEU  89           HA       LEU  89  96.893   5.092   5.783
  753    HB2  LEU  89           HB2      LEU  89  98.341   3.050   5.920
  754    HB3  LEU  89           HB1      LEU  89  98.967   3.429   4.334
  755    HG   LEU  89           HG       LEU  89  99.717   5.606   5.214
  756   HD11  LEU  89          HD11      LEU  89  99.856   5.458   7.891
  757   HD12  LEU  89          HD12      LEU  89  98.357   4.569   7.641
  758   HD13  LEU  89          HD13      LEU  89  98.504   6.226   7.063
  759   HD21  LEU  89          HD21      LEU  89 101.628   4.452   5.409
  760   HD22  LEU  89          HD22      LEU  89 100.757   3.004   5.915
  761   HD23  LEU  89          HD23      LEU  89 101.219   4.218   7.108
  762    H    ILE  90           HN       ILE  90  97.421   4.141   2.427
  763    HA   ILE  90           HA       ILE  90  98.793   6.438   1.592
  764    HB   ILE  90           HB       ILE  90  96.981   4.542   0.055
  765   HG12  ILE  90          HG12      ILE  90  99.987   4.823   0.356
  766   HG13  ILE  90          HG11      ILE  90  98.998   3.526   0.987
  767   HG21  ILE  90          HG21      ILE  90  98.094   5.529  -1.975
  768   HG22  ILE  90          HG22      ILE  90  98.821   6.758  -0.943
  769   HG23  ILE  90          HG23      ILE  90  97.073   6.683  -1.146
  770   HD11  ILE  90          HD11      ILE  90  99.960   2.700  -1.068
  771   HD12  ILE  90          HD12      ILE  90  99.527   4.172  -1.924
  772   HD13  ILE  90          HD13      ILE  90  98.267   3.054  -1.408
  773    H    ASP  91           HN       ASP  91  95.320   5.699   1.717
  774    HA   ASP  91           HA       ASP  91  94.311   7.928   0.398
  775    HB2  ASP  91           HB2      ASP  91  93.267   6.157   2.582
  776    HB3  ASP  91           HB1      ASP  91  92.357   7.593   2.132
  777    H    LYS  92           HN       LYS  92  95.318   7.585   3.765
  778    HA   LYS  92           HA       LYS  92  94.462  10.153   4.614
  779    HB2  LYS  92           HB2      LYS  92  96.516   8.214   5.663
  780    HB3  LYS  92           HB1      LYS  92  96.221   9.769   6.440
  781    HG2  LYS  92           HG2      LYS  92  93.804   9.165   6.633
  782    HG3  LYS  92           HG1      LYS  92  94.177   7.581   5.954
  783    HD2  LYS  92           HD2      LYS  92  95.692   7.105   7.820
  784    HD3  LYS  92           HD1      LYS  92  95.408   8.715   8.481
  785    HE2  LYS  92           HE2      LYS  92  93.025   8.195   8.778
  786    HE3  LYS  92           HE1      LYS  92  93.279   6.598   8.095
  787    HZ1  LYS  92           HZ1      LYS  92  94.989   6.296   9.910
  788    HZ2  LYS  92           HZ2      LYS  92  93.360   6.302  10.395
  789    HZ3  LYS  92           HZ3      LYS  92  94.326   7.679  10.634
  790    H    LYS  93           HN       LYS  93  95.548  12.093   4.775
  791    HA   LYS  93           HA       LYS  93  97.458  12.670   2.750
  792    HB2  LYS  93           HB2      LYS  93  97.496  14.917   3.707
  793    HB3  LYS  93           HB1      LYS  93  95.835  14.332   3.602
  794    HG2  LYS  93           HG2      LYS  93  95.991  13.612   5.996
  795    HG3  LYS  93           HG1      LYS  93  97.589  14.354   6.078
  796    HD2  LYS  93           HD2      LYS  93  96.614  16.535   5.462
  797    HD3  LYS  93           HD1      LYS  93  95.014  15.796   5.398
  798    HE2  LYS  93           HE2      LYS  93  95.183  15.185   7.776
  799    HE3  LYS  93           HE1      LYS  93  96.795  15.898   7.850
  800    HZ1  LYS  93           HZ1      LYS  93  94.207  17.264   7.419
  801    HZ2  LYS  93           HZ2      LYS  93  95.688  18.006   7.040
  802    HZ3  LYS  93           HZ3      LYS  93  95.352  17.540   8.640
  803    H    GLU  94           HN       GLU  94  97.973  10.866   5.332
  804    HA   GLU  94           HA       GLU  94 100.283  12.056   6.528
  805    HB2  GLU  94           HB2      GLU  94  98.799  10.300   7.589
  806    HB3  GLU  94           HB1      GLU  94  99.556   9.125   6.514
  807    HG2  GLU  94           HG2      GLU  94 101.754   9.615   7.448
  808    HG3  GLU  94           HG1      GLU  94 101.086  10.917   8.421
  809    H    VAL  95           HN       VAL  95 100.847  12.403   3.973
  810    HA   VAL  95           HA       VAL  95 102.661  10.209   3.179
  811    HB   VAL  95           HB       VAL  95 102.418  10.882   0.946
  812   HG11  VAL  95          HG11      VAL  95 100.005  11.052   0.579
  813   HG12  VAL  95          HG12      VAL  95  99.762  11.505   2.265
  814   HG13  VAL  95          HG13      VAL  95 100.352   9.892   1.861
  815   HG21  VAL  95          HG21      VAL  95 102.859  13.221   1.045
  816   HG22  VAL  95          HG22      VAL  95 101.520  13.510   2.149
  817   HG23  VAL  95          HG23      VAL  95 101.202  13.118   0.460
  818    H    ASN  96           HN       ASN  96 104.811  10.594   2.847
  819    HA   ASN  96           HA       ASN  96 105.874  12.973   4.079
  820    HB2  ASN  96           HB2      ASN  96 107.883  11.315   2.834
  821    HB3  ASN  96           HB1      ASN  96 107.613  11.636   4.550
  822   HD21  ASN  96          HD21      ASN  96 105.122  10.484   5.002
  823   HD22  ASN  96          HD22      ASN  96 105.194   8.818   4.683
  824    HA   PRO  97           HA       PRO  97 107.127  15.497   0.701
  825    HB2  PRO  97           HB2      PRO  97 109.970  14.701   1.084
  826    HB3  PRO  97           HB1      PRO  97 109.255  16.323   1.007
  827    HG2  PRO  97           HG2      PRO  97 110.026  15.246   3.317
  828    HG3  PRO  97           HG1      PRO  97 108.593  16.281   3.204
  829    HD2  PRO  97           HD2      PRO  97 108.773  13.346   3.556
  830    HD3  PRO  97           HD1      PRO  97 107.521  14.478   4.102
  831    H    GLN  98           HN       GLN  98 107.935  12.179   0.752
  832    HA   GLN  98           HA       GLN  98 109.263  11.671  -1.593
  833    HB2  GLN  98           HB2      GLN  98 108.420   9.513  -1.479
  834    HB3  GLN  98           HB1      GLN  98 108.207  10.073   0.172
  835    HG2  GLN  98           HG2      GLN  98 105.875  10.859  -0.637
  836    HG3  GLN  98           HG1      GLN  98 106.152   9.790  -2.016
  837   HE21  GLN  98          HE21      GLN  98 107.387   9.029   1.229
  838   HE22  GLN  98          HE22      GLN  98 106.367   7.706   1.490
  839    H    VAL  99           HN       VAL  99 106.296  13.277  -1.274
  840    HA   VAL  99           HA       VAL  99 104.934  12.525  -3.612
  841    HB   VAL  99           HB       VAL  99 105.020  15.175  -2.151
  842   HG11  VAL  99          HG11      VAL  99 102.608  15.076  -3.425
  843   HG12  VAL  99          HG12      VAL  99 103.647  14.298  -4.619
  844   HG13  VAL  99          HG13      VAL  99 104.018  15.928  -4.055
  845   HG21  VAL  99          HG21      VAL  99 102.878  14.375  -1.216
  846   HG22  VAL  99          HG22      VAL  99 104.191  13.253  -0.846
  847   HG23  VAL  99          HG23      VAL  99 103.042  12.873  -2.128
  848    H    MET 100           HN       MET 100 107.252  15.192  -3.082
  849    HA   MET 100           HA       MET 100 107.253  16.121  -5.753
  850    HB2  MET 100           HB2      MET 100 108.116  17.437  -3.849
  851    HB3  MET 100           HB1      MET 100 109.459  16.304  -3.689
  852    HG2  MET 100           HG2      MET 100 110.256  16.858  -5.922
  853    HG3  MET 100           HG1      MET 100 108.853  17.887  -6.202
  854    HE1  MET 100           HE1      MET 100 111.034  17.752  -2.693
  855    HE2  MET 100           HE2      MET 100 112.429  18.490  -3.475
  856    HE3  MET 100           HE3      MET 100 111.746  17.003  -4.128
  857    H    ALA 101           HN       ALA 101 109.368  13.819  -4.047
  858    HA   ALA 101           HA       ALA 101 110.991  13.311  -6.347
  859    HB1  ALA 101           HB1      ALA 101 110.802  12.349  -3.540
  860    HB2  ALA 101           HB2      ALA 101 112.235  12.732  -4.507
  861    HB3  ALA 101           HB3      ALA 101 111.429  11.173  -4.705
  862    H    ALA 102           HN       ALA 102 107.928  12.339  -5.397
  863    HA   ALA 102           HA       ALA 102 108.026   9.758  -6.786
  864    HB1  ALA 102           HB1      ALA 102 106.800   9.680  -4.746
  865    HB2  ALA 102           HB2      ALA 102 105.608   9.616  -6.055
  866    HB3  ALA 102           HB3      ALA 102 105.875  11.121  -5.183
  867    H    VAL 103           HN       VAL 103 106.885  13.011  -7.227
  868    HA   VAL 103           HA       VAL 103 104.999  12.608  -9.265
  869    HB   VAL 103           HB       VAL 103 106.848  14.923  -8.672
  870   HG11  VAL 103          HG11      VAL 103 104.967  16.081 -10.153
  871   HG12  VAL 103          HG12      VAL 103 104.876  14.476 -10.880
  872   HG13  VAL 103          HG13      VAL 103 106.396  15.369 -10.902
  873   HG21  VAL 103          HG21      VAL 103 103.939  15.232  -8.439
  874   HG22  VAL 103          HG22      VAL 103 105.204  15.621  -7.273
  875   HG23  VAL 103          HG23      VAL 103 104.582  13.973  -7.383
  876    H    ALA 104           HN       ALA 104 108.520  13.161  -9.453
  877    HA   ALA 104           HA       ALA 104 108.758  13.213 -12.233
  878    HB1  ALA 104           HB1      ALA 104 110.595  12.527  -9.969
  879    HB2  ALA 104           HB2      ALA 104 110.710  13.836 -11.146
  880    HB3  ALA 104           HB3      ALA 104 111.113  12.186 -11.620
  881    H    GLN 105           HN       GLN 105 108.625  10.496  -9.978
  882    HA   GLN 105           HA       GLN 105 109.307   8.467 -11.844
  883    HB2  GLN 105           HB2      GLN 105 107.615   8.264  -9.339
  884    HB3  GLN 105           HB1      GLN 105 108.380   6.920 -10.191
  885    HG2  GLN 105           HG2      GLN 105 109.875   9.265  -8.987
  886    HG3  GLN 105           HG1      GLN 105 109.708   7.684  -8.226
  887   HE21  GLN 105          HE21      GLN 105 111.967   9.392  -9.818
  888   HE22  GLN 105          HE22      GLN 105 112.740   8.157 -10.689
  889    H    THR 106           HN       THR 106 106.232   9.910 -10.852
  890    HA   THR 106           HA       THR 106 104.553   8.123 -12.276
  891    HB   THR 106           HB       THR 106 103.998  11.006 -11.545
  892    HG1  THR 106           HG1      THR 106 104.119   8.642 -10.087
  893   HG21  THR 106          HG21      THR 106 101.635  10.062 -11.425
  894   HG22  THR 106          HG22      THR 106 102.263   8.628 -12.235
  895   HG23  THR 106          HG23      THR 106 102.322  10.194 -13.044
  896    H    GLU 107           HN       GLU 107 103.862   8.104 -14.349
  897    HA   GLU 107           HA       GLU 107 105.091  10.065 -16.176
  898    HB2  GLU 107           HB2      GLU 107 103.864   7.353 -16.740
  899    HB3  GLU 107           HB1      GLU 107 104.613   8.408 -17.939
  900    HG2  GLU 107           HG2      GLU 107 106.745   8.318 -16.675
  901    HG3  GLU 107           HG1      GLU 107 105.995   7.224 -15.514
  902    H    GLU 108           HN       GLU 108 103.874  11.264 -17.597
  903    HA   GLU 108           HA       GLU 108 101.186  11.850 -16.856
  904    HB2  GLU 108           HB2      GLU 108 102.841  12.643 -19.259
  905    HB3  GLU 108           HB1      GLU 108 101.223  13.267 -18.937
  906    HG2  GLU 108           HG2      GLU 108 101.974  14.154 -16.775
  907    HG3  GLU 108           HG1      GLU 108 103.584  13.490 -17.047
  908    H    ILE 109           HN       ILE 109  99.436  10.702 -17.339
  909    HA   ILE 109           HA       ILE 109  99.240   8.422 -18.812
  910    HB   ILE 109           HB       ILE 109  96.821   8.941 -19.086
  911   HG12  ILE 109          HG12      ILE 109  97.555  11.644 -17.916
  912   HG13  ILE 109          HG11      ILE 109  97.191  11.386 -19.619
  913   HG21  ILE 109          HG21      ILE 109  96.536   9.653 -16.532
  914   HG22  ILE 109          HG22      ILE 109  98.271   9.387 -16.498
  915   HG23  ILE 109          HG23      ILE 109  97.185   8.075 -16.960
  916   HD11  ILE 109          HD11      ILE 109  95.141  12.101 -18.651
  917   HD12  ILE 109          HD12      ILE 109  95.346  11.041 -17.257
  918   HD13  ILE 109          HD13      ILE 109  94.979  10.356 -18.840
  919    H    LEU 110           HN       LEU 110  99.471  11.665 -20.033
  920    HA   LEU 110           HA       LEU 110  98.502  11.223 -22.653
  921    HB2  LEU 110           HB2      LEU 110 100.554  13.197 -21.615
  922    HB3  LEU 110           HB1      LEU 110  99.842  13.255 -23.224
  923    HG   LEU 110           HG       LEU 110  98.251  13.335 -20.643
  924   HD11  LEU 110          HD11      LEU 110  99.523  15.377 -20.805
  925   HD12  LEU 110          HD12      LEU 110  97.874  15.742 -21.316
  926   HD13  LEU 110          HD13      LEU 110  99.146  15.536 -22.521
  927   HD21  LEU 110          HD21      LEU 110  97.572  13.324 -23.558
  928   HD22  LEU 110          HD22      LEU 110  96.604  14.342 -22.497
  929   HD23  LEU 110          HD23      LEU 110  96.704  12.610 -22.201
  930    H    LYS 111           HN       LYS 111 101.725  10.908 -21.228
  931    HA   LYS 111           HA       LYS 111 103.125  10.360 -23.609
  932    HB2  LYS 111           HB2      LYS 111 104.210  10.951 -21.463
  933    HB3  LYS 111           HB1      LYS 111 103.748   9.376 -20.817
  934    HG2  LYS 111           HG2      LYS 111 105.044   8.257 -22.587
  935    HG3  LYS 111           HG1      LYS 111 105.478   9.823 -23.270
  936    HD2  LYS 111           HD2      LYS 111 106.605  10.420 -21.142
  937    HD3  LYS 111           HD1      LYS 111 106.192   8.833 -20.494
  938    HE2  LYS 111           HE2      LYS 111 107.501   7.737 -22.244
  939    HE3  LYS 111           HE1      LYS 111 107.865   9.299 -22.978
  940    HZ1  LYS 111           HZ1      LYS 111 108.523   9.390 -20.250
  941    HZ2  LYS 111           HZ2      LYS 111 109.553   9.539 -21.593
  942    HZ3  LYS 111           HZ3      LYS 111 109.239   8.009 -20.925
  943    H    SER 112           HN       SER 112 101.213   8.357 -21.465
  944    HA   SER 112           HA       SER 112 101.948   5.822 -21.970
  945    HB2  SER 112           HB2      SER 112  99.928   6.521 -20.666
  946    HB3  SER 112           HB1      SER 112  99.081   6.738 -22.194
  947    HG   SER 112           HG       SER 112  98.730   4.660 -21.304
  948    H    ASN 113           HN       ASN 113  99.413   7.261 -24.001
  949    HA   ASN 113           HA       ASN 113  99.725   5.383 -26.092
  950    HB2  ASN 113           HB2      ASN 113  98.591   8.175 -26.306
  951    HB3  ASN 113           HB1      ASN 113  98.245   6.806 -27.362
  952   HD21  ASN 113          HD21      ASN 113  98.413   5.216 -24.576
  953   HD22  ASN 113          HD22      ASN 113  96.828   5.393 -23.992
  954    H    SER 114           HN       SER 114 100.796   8.771 -25.834
  955    HA   SER 114           HA       SER 114 103.193   8.234 -27.323
  956    HB2  SER 114           HB2      SER 114 102.716   9.671 -29.235
  957    HB3  SER 114           HB1      SER 114 101.549   8.353 -29.166
  958    HG   SER 114           HG       SER 114 101.230  11.083 -28.682
  959    H    GLN 115           HN       GLN 115 104.489  10.241 -27.637
  960    HA   GLN 115           HA       GLN 115 104.357  11.861 -25.256
  961    HB2  GLN 115           HB2      GLN 115 106.184  11.912 -27.662
  962    HB3  GLN 115           HB1      GLN 115 106.373  12.970 -26.266
  963    HG2  GLN 115           HG2      GLN 115 106.670  11.071 -24.801
  964    HG3  GLN 115           HG1      GLN 115 106.306   9.945 -26.108
  965   HE21  GLN 115          HE21      GLN 115 108.624   9.200 -25.300
  966   HE22  GLN 115          HE22      GLN 115 109.936   9.907 -26.111
  967    H    THR 116           HN       THR 116 102.231  12.790 -25.691
  968    HA   THR 116           HA       THR 116 101.701  14.492 -27.899
  969    HB   THR 116           HB       THR 116 100.499  14.848 -25.146
  970    HG1  THR 116           HG1      THR 116  99.503  13.007 -25.385
  971   HG21  THR 116          HG21      THR 116  99.375  15.109 -27.951
  972   HG22  THR 116          HG22      THR 116  99.928  16.458 -26.957
  973   HG23  THR 116          HG23      THR 116  98.539  15.499 -26.447
  974    H    ASP 117           HN       ASP 117 102.954  15.142 -24.636
  975    HA   ASP 117           HA       ASP 117 103.049  17.931 -24.763
  976    HB2  ASP 117           HB2      ASP 117 103.475  16.577 -22.716
  977    HB3  ASP 117           HB1      ASP 117 105.036  16.105 -23.387
  978    H    LEU 118           HN       LEU 118 105.574  15.561 -25.626
  979    HA   LEU 118           HA       LEU 118 106.903  17.686 -27.183
  980    HB2  LEU 118           HB2      LEU 118 108.132  15.273 -25.839
  981    HB3  LEU 118           HB1      LEU 118 109.006  16.437 -26.830
  982    HG   LEU 118           HG       LEU 118 107.452  17.136 -24.318
  983   HD11  LEU 118          HD11      LEU 118 110.160  17.663 -23.919
  984   HD12  LEU 118          HD12      LEU 118 110.148  16.099 -24.732
  985   HD13  LEU 118          HD13      LEU 118 109.253  16.318 -23.229
  986   HD21  LEU 118          HD21      LEU 118 108.962  18.692 -26.380
  987   HD22  LEU 118          HD22      LEU 118 109.114  19.201 -24.702
  988   HD23  LEU 118          HD23      LEU 118 107.526  19.141 -25.463
  989    H    GLU 119           HN       GLU 119 107.014  17.386 -29.334
  990    HA   GLU 119           HA       GLU 119 106.358  14.708 -30.381
  991    HB2  GLU 119           HB2      GLU 119 104.842  16.578 -31.021
  992    HB3  GLU 119           HB1      GLU 119 106.213  17.389 -31.778
  993    HG2  GLU 119           HG2      GLU 119 106.527  15.518 -33.309
  994    HG3  GLU 119           HG1      GLU 119 105.241  14.613 -32.512
  995    H    HIS 120           HN       HIS 120 107.965  13.573 -31.235
  996    HA   HIS 120           HA       HIS 120 110.296  15.023 -32.344
  997    HB2  HIS 120           HB2      HIS 120 110.254  12.392 -30.851
  998    HB3  HIS 120           HB1      HIS 120 111.672  13.090 -31.634
  999    HD1  HIS 120           HD1      HIS 120 112.310  15.605 -30.737
 1000    HD2  HIS 120           HD2      HIS 120 109.881  13.297 -28.263
 1001    HE1  HIS 120           HE1      HIS 120 112.419  16.661 -28.437
 1002    HE2  HIS 120           HE2      HIS 120 110.942  15.265 -26.916
 1003    H    HIS 121           HN       HIS 121 111.260  14.164 -34.198
 1004    HA   HIS 121           HA       HIS 121 109.835  11.948 -35.521
 1005    HB2  HIS 121           HB2      HIS 121 110.507  14.622 -36.768
 1006    HB3  HIS 121           HB1      HIS 121 109.917  13.216 -37.656
 1007    HD1  HIS 121           HD1      HIS 121 107.490  12.307 -36.880
 1008    HD2  HIS 121           HD2      HIS 121 108.500  16.132 -35.567
 1009    HE1  HIS 121           HE1      HIS 121 105.332  13.401 -36.132
 1010    HE2  HIS 121           HE2      HIS 121 105.931  15.733 -35.329
 1011    H    HIS 122           HN       HIS 122 111.091  10.673 -36.859
 1012    HA   HIS 122           HA       HIS 122 113.864  10.542 -36.296
 1013    HB2  HIS 122           HB2      HIS 122 112.173   9.240 -38.436
 1014    HB3  HIS 122           HB1      HIS 122 113.881   8.874 -38.194
 1015    HD1  HIS 122           HD1      HIS 122 114.517   7.977 -35.718
 1016    HD2  HIS 122           HD2      HIS 122 110.469   7.883 -36.707
 1017    HE1  HIS 122           HE1      HIS 122 113.407   6.429 -34.048
 1018    HE2  HIS 122           HE2      HIS 122 110.939   6.361 -34.638
 1019    H    HIS 123           HN       HIS 123 112.052  11.715 -39.119
 1020    HA   HIS 123           HA       HIS 123 114.253  12.307 -40.763
 1021    HB2  HIS 123           HB2      HIS 123 111.502  13.547 -40.595
 1022    HB3  HIS 123           HB1      HIS 123 112.669  13.936 -41.859
 1023    HD1  HIS 123           HD1      HIS 123 110.403  11.209 -40.654
 1024    HD2  HIS 123           HD2      HIS 123 113.160  11.819 -43.722
 1025    HE1  HIS 123           HE1      HIS 123 110.096   9.295 -42.285
 1026    HE2  HIS 123           HE2      HIS 123 111.770   9.654 -44.161
 1027    H    HIS 124           HN       HIS 124 112.578  14.247 -38.314
 1028    HA   HIS 124           HA       HIS 124 113.936  16.672 -38.751
 1029    HB2  HIS 124           HB2      HIS 124 111.909  16.498 -37.369
 1030    HB3  HIS 124           HB1      HIS 124 112.808  15.574 -36.165
 1031    HD1  HIS 124           HD1      HIS 124 112.919  18.992 -37.848
 1032    HD2  HIS 124           HD2      HIS 124 114.135  17.151 -34.310
 1033    HE1  HIS 124           HE1      HIS 124 113.856  20.824 -36.372
 1034    HE2  HIS 124           HE2      HIS 124 114.600  19.717 -34.211
 1035    H    HIS 125           HN       HIS 125 114.695  13.909 -36.661
 1036    HA   HIS 125           HA       HIS 125 117.463  14.909 -36.478
 1037    HB2  HIS 125           HB2      HIS 125 117.591  14.511 -34.145
 1038    HB3  HIS 125           HB1      HIS 125 116.083  15.397 -34.379
 1039    HD1  HIS 125           HD1      HIS 125 113.848  14.017 -34.225
 1040    HD2  HIS 125           HD2      HIS 125 117.273  11.853 -33.247
 1041    HE1  HIS 125           HE1      HIS 125 113.055  11.893 -33.096
 1042    HE2  HIS 125           HE2      HIS 125 115.132  10.564 -32.492
  Start of MODEL   13
    1    H21  MYR   1          1H2       MYR   1 113.859  14.580   2.934
    2    H22  MYR   1          2H2       MYR   1 114.173  13.649   1.638
    3    H31  MYR   1          1H3       MYR   1 111.678  13.416   3.074
    4    H32  MYR   1          2H3       MYR   1 111.834  14.428   1.808
    5    H41  MYR   1          1H4       MYR   1 111.819  12.780   0.320
    6    H42  MYR   1          2H4       MYR   1 112.613  11.752   1.302
    7    H51  MYR   1          1H5       MYR   1 109.877  12.405   1.845
    8    H52  MYR   1          2H5       MYR   1 110.226  11.202   0.793
    9    H61  MYR   1          1H6       MYR   1 111.731  10.634   2.940
   10    H62  MYR   1          2H6       MYR   1 110.325  11.157   3.585
   11    H71  MYR   1          1H7       MYR   1 109.403   9.454   1.871
   12    H72  MYR   1          2H7       MYR   1 110.831   8.750   2.213
   13    H81  MYR   1          1H8       MYR   1 110.237   8.577   4.478
   14    H82  MYR   1          2H8       MYR   1 108.836   9.359   4.197
   15    H91  MYR   1          1H9       MYR   1 108.241   7.454   2.740
   16    H92  MYR   1          2H9       MYR   1 109.493   6.667   3.423
   17   H101  MYR   1          1H10      MYR   1 108.077   7.560   5.510
   18   H102  MYR   1          2H10      MYR   1 106.945   7.043   4.461
   19   H111  MYR   1          1H11      MYR   1 108.580   4.994   4.437
   20   H112  MYR   1          2H11      MYR   1 108.760   5.490   5.976
   21   H121  MYR   1          1H12      MYR   1 106.947   4.347   6.449
   22   H122  MYR   1          2H12      MYR   1 106.107   5.487   5.638
   23   H131  MYR   1          1H13      MYR   1 106.000   4.229   3.748
   24   H132  MYR   1          2H13      MYR   1 107.249   3.285   4.193
   25   H141  MYR   1          1H14      MYR   1 105.437   1.925   4.506
   26   H142  MYR   1          2H14      MYR   1 105.762   2.485   6.017
   27   H143  MYR   1          3H14      MYR   1 104.548   3.147   5.148
   28    H    GLY   2           HN       GLY   2 115.932  13.527   3.084
   29    HA2  GLY   2           HA2      GLY   2 117.044  11.594   2.377
   30    HA3  GLY   2           HA1      GLY   2 116.428  11.055   3.939
   31    H    GLN   3           HN       GLN   3 115.702  11.179   0.484
   32    HA   GLN   3           HA       GLN   3 113.344   9.907   0.207
   33    HB2  GLN   3           HB2      GLN   3 115.907   9.304  -1.281
   34    HB3  GLN   3           HB1      GLN   3 114.324   8.717  -1.790
   35    HG2  GLN   3           HG2      GLN   3 113.515  11.062  -1.899
   36    HG3  GLN   3           HG1      GLN   3 115.126  11.621  -1.449
   37   HE21  GLN   3          HE21      GLN   3 114.581  12.682  -3.775
   38   HE22  GLN   3          HE22      GLN   3 115.194  11.811  -5.096
   39    H    GLU   4           HN       GLU   4 116.421   8.167   0.704
   40    HA   GLU   4           HA       GLU   4 114.972   5.698   1.221
   41    HB2  GLU   4           HB2      GLU   4 117.132   5.725  -0.037
   42    HB3  GLU   4           HB1      GLU   4 117.934   6.235   1.449
   43    HG2  GLU   4           HG2      GLU   4 117.185   4.203   2.592
   44    HG3  GLU   4           HG1      GLU   4 116.300   3.698   1.152
   45    H    LEU   5           HN       LEU   5 117.513   7.434   2.976
   46    HA   LEU   5           HA       LEU   5 117.424   6.223   5.359
   47    HB2  LEU   5           HB2      LEU   5 118.866   8.129   5.025
   48    HB3  LEU   5           HB1      LEU   5 117.488   9.210   4.917
   49    HG   LEU   5           HG       LEU   5 118.770   9.112   7.138
   50   HD11  LEU   5          HD11      LEU   5 116.230   9.905   6.690
   51   HD12  LEU   5          HD12      LEU   5 117.018   9.939   8.268
   52   HD13  LEU   5          HD13      LEU   5 115.981   8.585   7.873
   53   HD21  LEU   5          HD21      LEU   5 118.429   7.346   8.649
   54   HD22  LEU   5          HD22      LEU   5 118.810   6.570   7.119
   55   HD23  LEU   5          HD23      LEU   5 117.138   6.659   7.683
   56    H    SER   6           HN       SER   6 115.383   9.142   4.913
   57    HA   SER   6           HA       SER   6 113.900   8.946   7.150
   58    HB2  SER   6           HB2      SER   6 112.895   9.671   4.403
   59    HB3  SER   6           HB1      SER   6 112.056  10.037   5.899
   60    HG   SER   6           HG       SER   6 113.290  11.729   5.990
   61    H    GLN   7           HN       GLN   7 113.443   7.129   4.171
   62    HA   GLN   7           HA       GLN   7 111.012   5.912   4.596
   63    HB2  GLN   7           HB2      GLN   7 112.740   5.603   2.657
   64    HB3  GLN   7           HB1      GLN   7 113.331   4.266   3.647
   65    HG2  GLN   7           HG2      GLN   7 111.025   3.344   3.730
   66    HG3  GLN   7           HG1      GLN   7 110.511   4.620   2.624
   67   HE21  GLN   7          HE21      GLN   7 110.735   1.584   2.243
   68   HE22  GLN   7          HE22      GLN   7 111.670   1.413   0.837
   69    H    HIS   8           HN       HIS   8 114.166   4.500   5.540
   70    HA   HIS   8           HA       HIS   8 113.184   2.378   7.040
   71    HB2  HIS   8           HB2      HIS   8 115.715   4.016   7.416
   72    HB3  HIS   8           HB1      HIS   8 115.378   2.478   8.244
   73    HD1  HIS   8           HD1      HIS   8 114.437   0.575   6.258
   74    HD2  HIS   8           HD2      HIS   8 117.215   3.491   5.184
   75    HE1  HIS   8           HE1      HIS   8 115.573  -0.259   4.154
   76    HE2  HIS   8           HE2      HIS   8 117.270   1.508   3.486
   77    H    GLU   9           HN       GLU   9 113.903   5.686   8.089
   78    HA   GLU   9           HA       GLU   9 113.466   5.313  10.837
   79    HB2  GLU   9           HB2      GLU   9 114.485   7.349   9.802
   80    HB3  GLU   9           HB1      GLU   9 112.891   7.799   9.199
   81    HG2  GLU   9           HG2      GLU   9 112.031   7.889  11.505
   82    HG3  GLU   9           HG1      GLU   9 113.614   7.418  12.117
   83    H    ARG  10           HN       ARG  10 111.193   6.845   8.534
   84    HA   ARG  10           HA       ARG  10 109.009   6.720  10.340
   85    HB2  ARG  10           HB2      ARG  10 109.109   7.080   7.347
   86    HB3  ARG  10           HB1      ARG  10 107.624   7.179   8.288
   87    HG2  ARG  10           HG2      ARG  10 108.700   8.957   9.694
   88    HG3  ARG  10           HG1      ARG  10 110.083   8.922   8.600
   89    HD2  ARG  10           HD2      ARG  10 108.633  10.713   7.884
   90    HD3  ARG  10           HD1      ARG  10 108.501   9.411   6.704
   91    HE   ARG  10           HE       ARG  10 106.510   9.091   8.698
   92   HH11  ARG  10          HH11      ARG  10 104.376   9.672   8.183
   93   HH12  ARG  10          HH12      ARG  10 104.072  10.736   6.850
   94   HH21  ARG  10          HH21      ARG  10 107.422  11.092   6.028
   95   HH22  ARG  10          HH22      ARG  10 105.796  11.541   5.631
   96    H    TYR  11           HN       TYR  11 109.984   4.666   7.637
   97    HA   TYR  11           HA       TYR  11 107.774   2.962   7.551
   98    HB2  TYR  11           HB2      TYR  11 109.567   2.858   5.890
   99    HB3  TYR  11           HB1      TYR  11 110.680   2.285   7.122
  100    HD1  TYR  11           HD1      TYR  11 110.458   0.041   8.113
  101    HD2  TYR  11           HD2      TYR  11 107.903   1.378   4.938
  102    HE1  TYR  11           HE1      TYR  11 109.728  -2.295   7.710
  103    HE2  TYR  11           HE2      TYR  11 107.158  -0.948   4.540
  104    HH   TYR  11           HH       TYR  11 107.698  -3.145   4.970
  105    H    VAL  12           HN       VAL  12 110.831   2.410   9.338
  106    HA   VAL  12           HA       VAL  12 109.950   0.073  10.659
  107    HB   VAL  12           HB       VAL  12 112.028   2.149  11.400
  108   HG11  VAL  12          HG11      VAL  12 111.632   1.184  13.491
  109   HG12  VAL  12          HG12      VAL  12 112.790   0.033  12.815
  110   HG13  VAL  12          HG13      VAL  12 111.067  -0.336  12.794
  111   HG21  VAL  12          HG21      VAL  12 112.516   0.827   9.406
  112   HG22  VAL  12          HG22      VAL  12 112.122  -0.662  10.264
  113   HG23  VAL  12          HG23      VAL  12 113.536   0.285  10.731
  114    H    GLU  13           HN       GLU  13 110.053   3.437  11.890
  115    HA   GLU  13           HA       GLU  13 108.818   2.779  14.370
  116    HB2  GLU  13           HB2      GLU  13 109.149   5.394  12.903
  117    HB3  GLU  13           HB1      GLU  13 108.515   5.262  14.543
  118    HG2  GLU  13           HG2      GLU  13 111.197   4.144  13.696
  119    HG3  GLU  13           HG1      GLU  13 110.991   5.740  14.418
  120    H    GLN  14           HN       GLN  14 107.534   4.311  11.440
  121    HA   GLN  14           HA       GLN  14 104.900   4.616  12.434
  122    HB2  GLN  14           HB2      GLN  14 105.937   5.868  10.486
  123    HB3  GLN  14           HB1      GLN  14 105.659   4.405   9.525
  124    HG2  GLN  14           HG2      GLN  14 103.755   5.886   9.204
  125    HG3  GLN  14           HG1      GLN  14 103.233   4.514  10.187
  126   HE21  GLN  14          HE21      GLN  14 101.674   5.442  11.562
  127   HE22  GLN  14          HE22      GLN  14 101.962   6.793  12.548
  128    H    LEU  15           HN       LEU  15 105.833   2.631   9.696
  129    HA   LEU  15           HA       LEU  15 103.666   1.048   9.399
  130    HB2  LEU  15           HB2      LEU  15 106.123   0.890   8.344
  131    HB3  LEU  15           HB1      LEU  15 106.236  -0.469   9.458
  132    HG   LEU  15           HG       LEU  15 105.454  -1.265   7.297
  133   HD11  LEU  15          HD11      LEU  15 104.394  -2.072   9.518
  134   HD12  LEU  15          HD12      LEU  15 103.548  -2.468   8.021
  135   HD13  LEU  15          HD13      LEU  15 102.981  -1.139   9.025
  136   HD21  LEU  15          HD21      LEU  15 104.212   1.229   7.136
  137   HD22  LEU  15          HD22      LEU  15 102.875   0.091   7.259
  138   HD23  LEU  15          HD23      LEU  15 104.069  -0.083   5.973
  139    H    LYS  16           HN       LYS  16 106.277   0.339  11.753
  140    HA   LYS  16           HA       LYS  16 104.947  -1.895  12.888
  141    HB2  LYS  16           HB2      LYS  16 107.068  -0.057  13.960
  142    HB3  LYS  16           HB1      LYS  16 106.477  -1.436  14.842
  143    HG2  LYS  16           HG2      LYS  16 107.030  -2.836  12.763
  144    HG3  LYS  16           HG1      LYS  16 107.917  -1.430  12.201
  145    HD2  LYS  16           HD2      LYS  16 109.330  -1.469  14.191
  146    HD3  LYS  16           HD1      LYS  16 108.423  -2.841  14.826
  147    HE2  LYS  16           HE2      LYS  16 110.174  -2.763  12.369
  148    HE3  LYS  16           HE1      LYS  16 110.385  -3.734  13.825
  149    HZ1  LYS  16           HZ1      LYS  16 107.876  -4.354  12.930
  150    HZ2  LYS  16           HZ2      LYS  16 109.266  -5.315  12.791
  151    HZ3  LYS  16           HZ3      LYS  16 108.816  -4.282  11.520
  152    H    GLN  17           HN       GLN  17 104.868   1.564  13.664
  153    HA   GLN  17           HA       GLN  17 103.352   1.270  16.048
  154    HB2  GLN  17           HB2      GLN  17 104.039   3.484  14.198
  155    HB3  GLN  17           HB1      GLN  17 102.694   3.744  15.296
  156    HG2  GLN  17           HG2      GLN  17 104.127   3.183  17.208
  157    HG3  GLN  17           HG1      GLN  17 105.476   2.854  16.127
  158   HE21  GLN  17          HE21      GLN  17 106.245   4.721  17.800
  159   HE22  GLN  17          HE22      GLN  17 106.084   6.299  17.196
  160    H    ALA  18           HN       ALA  18 102.331   2.377  12.819
  161    HA   ALA  18           HA       ALA  18  99.632   2.511  13.140
  162    HB1  ALA  18           HB1      ALA  18  99.423   2.313  10.815
  163    HB2  ALA  18           HB2      ALA  18 100.752   1.161  10.696
  164    HB3  ALA  18           HB3      ALA  18 101.083   2.863  11.012
  165    H    LEU  19           HN       LEU  19 101.620  -0.282  13.280
  166    HA   LEU  19           HA       LEU  19  99.387  -2.150  12.968
  167    HB2  LEU  19           HB2      LEU  19 102.333  -2.430  13.384
  168    HB3  LEU  19           HB1      LEU  19 101.288  -3.791  13.760
  169    HG   LEU  19           HG       LEU  19 100.889  -2.364  11.160
  170   HD11  LEU  19          HD11      LEU  19 102.915  -4.580  11.481
  171   HD12  LEU  19          HD12      LEU  19 103.384  -2.883  11.466
  172   HD13  LEU  19          HD13      LEU  19 102.601  -3.580  10.066
  173   HD21  LEU  19          HD21      LEU  19  99.567  -4.387  12.294
  174   HD22  LEU  19          HD22      LEU  19 100.873  -5.328  11.575
  175   HD23  LEU  19          HD23      LEU  19  99.834  -4.337  10.552
  176    H    LYS  20           HN       LYS  20 101.576  -1.026  15.535
  177    HA   LYS  20           HA       LYS  20 100.905  -2.535  17.679
  178    HB2  LYS  20           HB2      LYS  20 101.181   0.466  17.555
  179    HB3  LYS  20           HB1      LYS  20 101.018  -0.411  19.076
  180    HG2  LYS  20           HG2      LYS  20 103.009  -1.763  18.486
  181    HG3  LYS  20           HG1      LYS  20 103.183  -0.839  17.002
  182    HD2  LYS  20           HD2      LYS  20 103.370   1.248  18.379
  183    HD3  LYS  20           HD1      LYS  20 103.344   0.241  19.826
  184    HE2  LYS  20           HE2      LYS  20 105.344  -0.975  18.985
  185    HE3  LYS  20           HE1      LYS  20 105.387   0.115  17.598
  186    HZ1  LYS  20           HZ1      LYS  20 105.712   1.971  19.048
  187    HZ2  LYS  20           HZ2      LYS  20 106.885   0.795  19.405
  188    HZ3  LYS  20           HZ3      LYS  20 105.542   0.996  20.425
  189    H    THR  21           HN       THR  21  98.912   0.066  16.330
  190    HA   THR  21           HA       THR  21  96.869   0.039  18.271
  191    HB   THR  21           HB       THR  21  96.794   1.836  16.760
  192    HG1  THR  21           HG1      THR  21  94.718   1.302  17.001
  193   HG21  THR  21          HG21      THR  21  97.166  -0.309  14.704
  194   HG22  THR  21          HG22      THR  21  98.086   1.177  14.943
  195   HG23  THR  21          HG23      THR  21  96.472   1.242  14.233
  196    H    ARG  22           HN       ARG  22  97.411  -2.003  15.445
  197    HA   ARG  22           HA       ARG  22  94.869  -3.302  15.531
  198    HB2  ARG  22           HB2      ARG  22  97.476  -3.847  14.138
  199    HB3  ARG  22           HB1      ARG  22  96.225  -5.078  14.157
  200    HG2  ARG  22           HG2      ARG  22  95.450  -2.279  13.438
  201    HG3  ARG  22           HG1      ARG  22  96.304  -3.240  12.229
  202    HD2  ARG  22           HD2      ARG  22  94.610  -5.036  12.495
  203    HD3  ARG  22           HD1      ARG  22  93.739  -4.032  13.645
  204    HE   ARG  22           HE       ARG  22  93.905  -3.636  10.755
  205   HH11  ARG  22          HH11      ARG  22  92.431  -2.114   9.940
  206   HH12  ARG  22          HH12      ARG  22  91.557  -1.092  11.032
  207   HH21  ARG  22          HH21      ARG  22  93.006  -2.442  13.878
  208   HH22  ARG  22          HH22      ARG  22  91.882  -1.280  13.261
  209    H    GLY  23           HN       GLY  23  97.474  -3.398  17.606
  210    HA2  GLY  23           HA2      GLY  23  97.434  -4.691  19.639
  211    HA3  GLY  23           HA1      GLY  23  96.484  -5.908  18.791
  212    H    VAL  24           HN       VAL  24  99.397  -4.462  17.424
  213    HA   VAL  24           HA       VAL  24 100.652  -7.130  17.518
  214    HB   VAL  24           HB       VAL  24 101.559  -4.820  15.827
  215   HG11  VAL  24          HG11      VAL  24 101.719  -7.835  15.547
  216   HG12  VAL  24          HG12      VAL  24 103.046  -6.764  15.993
  217   HG13  VAL  24          HG13      VAL  24 102.348  -6.676  14.378
  218   HG21  VAL  24          HG21      VAL  24 100.124  -6.087  14.032
  219   HG22  VAL  24          HG22      VAL  24  99.319  -4.955  15.117
  220   HG23  VAL  24          HG23      VAL  24  99.229  -6.687  15.428
  221    H    LYS  25           HN       LYS  25 103.030  -7.171  17.844
  222    HA   LYS  25           HA       LYS  25 103.924  -5.000  19.638
  223    HB2  LYS  25           HB2      LYS  25 104.535  -7.965  19.743
  224    HB3  LYS  25           HB1      LYS  25 105.296  -6.751  20.771
  225    HG2  LYS  25           HG2      LYS  25 103.094  -6.114  21.668
  226    HG3  LYS  25           HG1      LYS  25 102.318  -7.311  20.631
  227    HD2  LYS  25           HD2      LYS  25 103.613  -9.104  21.743
  228    HD3  LYS  25           HD1      LYS  25 104.354  -7.901  22.800
  229    HE2  LYS  25           HE2      LYS  25 102.136  -7.289  23.678
  230    HE3  LYS  25           HE1      LYS  25 101.382  -8.474  22.611
  231    HZ1  LYS  25           HZ1      LYS  25 101.960 -10.149  23.942
  232    HZ2  LYS  25           HZ2      LYS  25 102.220  -8.961  25.129
  233    HZ3  LYS  25           HZ3      LYS  25 103.522  -9.545  24.207
  234    H    VAL  26           HN       VAL  26 106.302  -4.741  19.729
  235    HA   VAL  26           HA       VAL  26 107.581  -5.390  17.139
  236    HB   VAL  26           HB       VAL  26 108.623  -3.211  17.125
  237   HG11  VAL  26          HG11      VAL  26 105.666  -3.093  17.769
  238   HG12  VAL  26          HG12      VAL  26 106.402  -3.280  16.180
  239   HG13  VAL  26          HG13      VAL  26 106.590  -1.771  17.077
  240   HG21  VAL  26          HG21      VAL  26 107.586  -3.168  19.928
  241   HG22  VAL  26          HG22      VAL  26 107.586  -1.641  19.053
  242   HG23  VAL  26          HG23      VAL  26 109.096  -2.519  19.280
  243    H    LYS  27           HN       LYS  27 109.005  -6.938  17.628
  244    HA   LYS  27           HA       LYS  27 110.732  -6.595  19.999
  245    HB2  LYS  27           HB2      LYS  27 111.204  -9.060  19.671
  246    HB3  LYS  27           HB1      LYS  27 109.569  -8.649  20.192
  247    HG2  LYS  27           HG2      LYS  27 108.696  -8.925  17.989
  248    HG3  LYS  27           HG1      LYS  27 110.313  -9.016  17.287
  249    HD2  LYS  27           HD2      LYS  27 110.752 -11.120  18.377
  250    HD3  LYS  27           HD1      LYS  27 109.244 -11.017  19.297
  251    HE2  LYS  27           HE2      LYS  27 107.989 -11.055  17.118
  252    HE3  LYS  27           HE1      LYS  27 109.526 -11.313  16.292
  253    HZ1  LYS  27           HZ1      LYS  27 108.052 -13.113  18.083
  254    HZ2  LYS  27           HZ2      LYS  27 109.744 -13.243  17.989
  255    HZ3  LYS  27           HZ3      LYS  27 108.795 -13.446  16.595
  256    H    TYR  28           HN       TYR  28 112.969  -7.562  19.713
  257    HA   TYR  28           HA       TYR  28 114.320  -6.193  17.666
  258    HB2  TYR  28           HB2      TYR  28 115.165  -8.554  19.353
  259    HB3  TYR  28           HB1      TYR  28 116.260  -7.641  18.313
  260    HD1  TYR  28           HD1      TYR  28 114.618  -7.767  21.517
  261    HD2  TYR  28           HD2      TYR  28 116.459  -5.115  18.683
  262    HE1  TYR  28           HE1      TYR  28 114.886  -6.055  23.292
  263    HE2  TYR  28           HE2      TYR  28 116.727  -3.404  20.458
  264    HH   TYR  28           HH       TYR  28 116.908  -3.592  23.177
  265    H    ALA  29           HN       ALA  29 113.195  -9.529  17.913
  266    HA   ALA  29           HA       ALA  29 114.371 -10.512  15.542
  267    HB1  ALA  29           HB1      ALA  29 113.461 -12.457  16.170
  268    HB2  ALA  29           HB2      ALA  29 111.834 -11.778  16.199
  269    HB3  ALA  29           HB3      ALA  29 112.890 -11.608  17.604
  270    H    ASP  30           HN       ASP  30 111.662  -8.510  16.103
  271    HA   ASP  30           HA       ASP  30 110.226  -9.102  13.675
  272    HB2  ASP  30           HB2      ASP  30 110.009  -6.960  15.756
  273    HB3  ASP  30           HB1      ASP  30 109.208  -6.733  14.219
  274    H    LEU  31           HN       LEU  31 112.586  -6.661  14.636
  275    HA   LEU  31           HA       LEU  31 112.481  -5.178  12.202
  276    HB2  LEU  31           HB2      LEU  31 114.567  -5.544  14.357
  277    HB3  LEU  31           HB1      LEU  31 114.893  -4.572  12.926
  278    HG   LEU  31           HG       LEU  31 112.626  -3.399  13.517
  279   HD11  LEU  31          HD11      LEU  31 112.285  -3.328  16.013
  280   HD12  LEU  31          HD12      LEU  31 113.407  -4.679  16.153
  281   HD13  LEU  31          HD13      LEU  31 111.887  -4.885  15.287
  282   HD21  LEU  31          HD21      LEU  31 113.888  -1.893  15.134
  283   HD22  LEU  31          HD22      LEU  31 114.681  -2.176  13.585
  284   HD23  LEU  31          HD23      LEU  31 115.225  -3.039  15.023
  285    H    LEU  32           HN       LEU  32 114.511  -7.923  13.237
  286    HA   LEU  32           HA       LEU  32 116.224  -7.971  11.030
  287    HB2  LEU  32           HB2      LEU  32 115.066 -10.403  12.374
  288    HB3  LEU  32           HB1      LEU  32 116.634 -10.265  11.572
  289    HG   LEU  32           HG       LEU  32 115.795  -8.756  14.073
  290   HD11  LEU  32          HD11      LEU  32 116.649 -11.381  13.850
  291   HD12  LEU  32          HD12      LEU  32 116.775 -10.378  15.297
  292   HD13  LEU  32          HD13      LEU  32 118.141 -10.503  14.189
  293   HD21  LEU  32          HD21      LEU  32 117.306  -7.325  12.976
  294   HD22  LEU  32          HD22      LEU  32 118.232  -8.667  12.301
  295   HD23  LEU  32          HD23      LEU  32 118.364  -8.276  14.016
  296    H    LYS  33           HN       LYS  33 113.135  -9.689  11.437
  297    HA   LYS  33           HA       LYS  33 113.135 -10.726   8.767
  298    HB2  LYS  33           HB2      LYS  33 111.965 -11.839  10.636
  299    HB3  LYS  33           HB1      LYS  33 110.841 -10.483  10.718
  300    HG2  LYS  33           HG2      LYS  33 110.114 -10.921   8.403
  301    HG3  LYS  33           HG1      LYS  33 111.271 -12.246   8.283
  302    HD2  LYS  33           HD2      LYS  33 110.119 -13.413  10.133
  303    HD3  LYS  33           HD1      LYS  33 108.955 -12.091  10.234
  304    HE2  LYS  33           HE2      LYS  33 108.201 -12.525   7.956
  305    HE3  LYS  33           HE1      LYS  33 109.422 -13.780   7.762
  306    HZ1  LYS  33           HZ1      LYS  33 107.158 -13.804   9.673
  307    HZ2  LYS  33           HZ2      LYS  33 108.380 -14.983   9.606
  308    HZ3  LYS  33           HZ3      LYS  33 107.325 -14.773   8.293
  309    H    PHE  34           HN       PHE  34 111.144  -8.231  10.376
  310    HA   PHE  34           HA       PHE  34 109.686  -7.489   8.109
  311    HB2  PHE  34           HB2      PHE  34 109.366  -6.873  10.621
  312    HB3  PHE  34           HB1      PHE  34 110.430  -5.516  10.257
  313    HD1  PHE  34           HD1      PHE  34 107.500  -7.269   8.684
  314    HD2  PHE  34           HD2      PHE  34 109.366  -3.522   9.660
  315    HE1  PHE  34           HE1      PHE  34 105.595  -6.058   7.674
  316    HE2  PHE  34           HE2      PHE  34 107.448  -2.312   8.658
  317    HZ   PHE  34           HZ       PHE  34 105.570  -3.577   7.660
  318    H    PHE  35           HN       PHE  35 112.769  -6.294   9.313
  319    HA   PHE  35           HA       PHE  35 112.979  -4.129   7.436
  320    HB2  PHE  35           HB2      PHE  35 114.203  -4.408   9.671
  321    HB3  PHE  35           HB1      PHE  35 115.309  -5.482   8.806
  322    HD1  PHE  35           HD1      PHE  35 116.255  -4.483   6.517
  323    HD2  PHE  35           HD2      PHE  35 114.565  -2.144   9.702
  324    HE1  PHE  35           HE1      PHE  35 117.386  -2.463   5.637
  325    HE2  PHE  35           HE2      PHE  35 115.704  -0.124   8.814
  326    HZ   PHE  35           HZ       PHE  35 117.117  -0.288   6.783
  327    H    ASP  36           HN       ASP  36 114.313  -7.431   7.650
  328    HA   ASP  36           HA       ASP  36 115.752  -7.303   5.176
  329    HB2  ASP  36           HB2      ASP  36 114.869  -9.665   6.842
  330    HB3  ASP  36           HB1      ASP  36 115.879  -9.798   5.405
  331    H    PHE  37           HN       PHE  37 112.466  -7.896   5.987
  332    HA   PHE  37           HA       PHE  37 111.691  -9.471   3.761
  333    HB2  PHE  37           HB2      PHE  37 110.393  -8.056   5.949
  334    HB3  PHE  37           HB1      PHE  37 109.484  -7.917   4.447
  335    HD1  PHE  37           HD1      PHE  37 111.628 -10.660   5.847
  336    HD2  PHE  37           HD2      PHE  37 107.741  -9.471   4.460
  337    HE1  PHE  37           HE1      PHE  37 110.826 -12.988   6.106
  338    HE2  PHE  37           HE2      PHE  37 106.937 -11.802   4.720
  339    HZ   PHE  37           HZ       PHE  37 108.477 -13.561   5.545
  340    H    VAL  38           HN       VAL  38 111.173  -5.990   4.368
  341    HA   VAL  38           HA       VAL  38 110.391  -5.479   1.663
  342    HB   VAL  38           HB       VAL  38 111.053  -3.032   2.451
  343   HG11  VAL  38          HG11      VAL  38 108.823  -2.843   3.486
  344   HG12  VAL  38          HG12      VAL  38 108.762  -4.600   3.688
  345   HG13  VAL  38          HG13      VAL  38 108.745  -3.900   2.069
  346   HG21  VAL  38          HG21      VAL  38 112.147  -4.342   4.514
  347   HG22  VAL  38          HG22      VAL  38 110.500  -4.202   5.135
  348   HG23  VAL  38          HG23      VAL  38 111.410  -2.754   4.711
  349    H    LYS  39           HN       LYS  39 113.445  -5.155   3.419
  350    HA   LYS  39           HA       LYS  39 114.951  -3.773   1.514
  351    HB2  LYS  39           HB2      LYS  39 115.698  -4.431   3.821
  352    HB3  LYS  39           HB1      LYS  39 115.951  -6.066   3.212
  353    HG2  LYS  39           HG2      LYS  39 117.552  -5.225   1.551
  354    HG3  LYS  39           HG1      LYS  39 117.283  -3.574   2.112
  355    HD2  LYS  39           HD2      LYS  39 118.092  -4.222   4.359
  356    HD3  LYS  39           HD1      LYS  39 118.399  -5.853   3.773
  357    HE2  LYS  39           HE2      LYS  39 119.988  -4.962   2.106
  358    HE3  LYS  39           HE1      LYS  39 119.688  -3.327   2.694
  359    HZ1  LYS  39           HZ1      LYS  39 121.302  -3.685   4.151
  360    HZ2  LYS  39           HZ2      LYS  39 121.400  -5.334   3.754
  361    HZ3  LYS  39           HZ3      LYS  39 120.292  -4.804   4.929
  362    H    ASP  40           HN       ASP  40 114.033  -7.178   1.617
  363    HA   ASP  40           HA       ASP  40 115.731  -8.391  -0.126
  364    HB2  ASP  40           HB2      ASP  40 112.717  -8.605  -0.011
  365    HB3  ASP  40           HB1      ASP  40 113.739  -9.709  -0.931
  366    H    THR  41           HN       THR  41 112.696  -6.873  -1.268
  367    HA   THR  41           HA       THR  41 114.065  -6.288  -3.826
  368    HB   THR  41           HB       THR  41 111.814  -6.415  -4.863
  369    HG1  THR  41           HG1      THR  41 110.164  -6.491  -3.599
  370   HG21  THR  41          HG21      THR  41 112.698  -8.852  -3.294
  371   HG22  THR  41          HG22      THR  41 113.289  -8.370  -4.884
  372   HG23  THR  41          HG23      THR  41 111.613  -8.882  -4.684
  373    H    CYS  42           HN       CYS  42 113.142  -4.822  -1.082
  374    HA   CYS  42           HA       CYS  42 112.298  -2.732  -0.500
  375    HB2  CYS  42           HB2      CYS  42 113.934  -1.852  -2.879
  376    HB3  CYS  42           HB1      CYS  42 113.621  -0.968  -1.384
  377    HG   CYS  42           HG       CYS  42 115.083  -2.781  -0.113
  378    HA   PRO  43           HA       PRO  43 109.206  -2.748  -4.033
  379    HB2  PRO  43           HB2      PRO  43 107.283  -3.219  -1.827
  380    HB3  PRO  43           HB1      PRO  43 107.456  -4.076  -3.368
  381    HG2  PRO  43           HG2      PRO  43 108.167  -5.196  -1.073
  382    HG3  PRO  43           HG1      PRO  43 109.087  -5.475  -2.556
  383    HD2  PRO  43           HD2      PRO  43 109.723  -3.640  -0.253
  384    HD3  PRO  43           HD1      PRO  43 110.792  -4.725  -1.165
  385    H    TRP  44           HN       TRP  44 109.542  -1.182  -0.967
  386    HA   TRP  44           HA       TRP  44 107.479   0.765  -1.269
  387    HB2  TRP  44           HB2      TRP  44 109.697   0.240   0.597
  388    HB3  TRP  44           HB1      TRP  44 109.263   1.940   0.430
  389    HD1  TRP  44           HD1      TRP  44 107.346   2.709   1.888
  390    HE1  TRP  44           HE1      TRP  44 105.384   1.571   3.114
  391    HE3  TRP  44           HE3      TRP  44 107.984  -2.103   0.300
  392    HZ2  TRP  44           HZ2      TRP  44 104.243  -1.034   3.386
  393    HZ3  TRP  44           HZ3      TRP  44 106.446  -3.891   1.059
  394    HH2  TRP  44           HH2      TRP  44 104.576  -3.365   2.600
  395    H    PHE  45           HN       PHE  45 109.352   0.411  -3.553
  396    HA   PHE  45           HA       PHE  45 110.281   1.720  -5.153
  397    HB2  PHE  45           HB2      PHE  45 108.386   3.366  -3.890
  398    HB3  PHE  45           HB1      PHE  45 109.829   4.349  -4.159
  399    HD1  PHE  45           HD1      PHE  45 106.849   3.392  -5.630
  400    HD2  PHE  45           HD2      PHE  45 111.034   3.689  -6.552
  401    HE1  PHE  45           HE1      PHE  45 106.308   3.527  -8.044
  402    HE2  PHE  45           HE2      PHE  45 110.492   3.823  -8.967
  403    HZ   PHE  45           HZ       PHE  45 108.129   3.742  -9.715
  404    HA   PRO  46           HA       PRO  46 114.001   2.405  -2.568
  405    HB2  PRO  46           HB2      PRO  46 115.824   1.604  -4.443
  406    HB3  PRO  46           HB1      PRO  46 114.946   0.485  -3.384
  407    HG2  PRO  46           HG2      PRO  46 114.486   1.144  -6.231
  408    HG3  PRO  46           HG1      PRO  46 114.279  -0.384  -5.365
  409    HD2  PRO  46           HD2      PRO  46 112.213   1.299  -6.060
  410    HD3  PRO  46           HD1      PRO  46 112.134   0.111  -4.758
  411    H    GLN  47           HN       GLN  47 112.847   3.920  -5.355
  412    HA   GLN  47           HA       GLN  47 115.167   5.613  -5.808
  413    HB2  GLN  47           HB2      GLN  47 112.335   5.695  -6.880
  414    HB3  GLN  47           HB1      GLN  47 113.640   6.755  -7.416
  415    HG2  GLN  47           HG2      GLN  47 114.956   4.819  -8.143
  416    HG3  GLN  47           HG1      GLN  47 113.709   3.725  -7.548
  417   HE21  GLN  47          HE21      GLN  47 114.043   3.217 -10.098
  418   HE22  GLN  47          HE22      GLN  47 112.927   4.004 -11.108
  419    H    GLU  48           HN       GLU  48 111.779   6.241  -4.878
  420    HA   GLU  48           HA       GLU  48 112.623   8.763  -3.603
  421    HB2  GLU  48           HB2      GLU  48 110.697   8.878  -5.102
  422    HB3  GLU  48           HB1      GLU  48 109.853   7.660  -4.146
  423    HG2  GLU  48           HG2      GLU  48 109.059   9.875  -3.510
  424    HG3  GLU  48           HG1      GLU  48 109.957   9.197  -2.168
  425    H    GLY  49           HN       GLY  49 111.186   5.651  -2.840
  426    HA2  GLY  49           HA2      GLY  49 111.330   4.534  -0.769
  427    HA3  GLY  49           HA1      GLY  49 111.828   6.043  -0.011
  428    H    THR  50           HN       THR  50 108.993   4.677  -1.726
  429    HA   THR  50           HA       THR  50 107.265   5.748   0.401
  430    HB   THR  50           HB       THR  50 107.320   7.305  -1.603
  431    HG1  THR  50           HG1      THR  50 104.777   6.719  -1.727
  432   HG21  THR  50          HG21      THR  50 107.453   5.370  -3.246
  433   HG22  THR  50          HG22      THR  50 106.264   6.609  -3.638
  434   HG23  THR  50          HG23      THR  50 105.737   5.080  -2.925
  435    H    ILE  51           HN       ILE  51 104.989   4.849   0.148
  436    HA   ILE  51           HA       ILE  51 105.207   1.985  -0.142
  437    HB   ILE  51           HB       ILE  51 102.622   3.410   0.294
  438   HG12  ILE  51          HG12      ILE  51 104.943   3.223   2.193
  439   HG13  ILE  51          HG11      ILE  51 103.963   4.634   1.798
  440   HG21  ILE  51          HG21      ILE  51 103.616   1.075   1.858
  441   HG22  ILE  51          HG22      ILE  51 103.146   0.815   0.178
  442   HG23  ILE  51          HG23      ILE  51 101.985   1.465   1.330
  443   HD11  ILE  51          HD11      ILE  51 101.993   3.328   2.805
  444   HD12  ILE  51          HD12      ILE  51 103.189   3.966   3.928
  445   HD13  ILE  51          HD13      ILE  51 103.211   2.254   3.495
  446    H    ASP  52           HN       ASP  52 104.192   0.701  -1.667
  447    HA   ASP  52           HA       ASP  52 102.715   2.041  -3.832
  448    HB2  ASP  52           HB2      ASP  52 105.038   1.812  -4.590
  449    HB3  ASP  52           HB1      ASP  52 104.995   0.101  -4.188
  450    H    ILE  53           HN       ILE  53 100.867   1.042  -4.162
  451    HA   ILE  53           HA       ILE  53 100.188  -1.420  -2.892
  452    HB   ILE  53           HB       ILE  53  98.664   0.003  -5.082
  453   HG12  ILE  53          HG12      ILE  53  99.179   1.566  -3.266
  454   HG13  ILE  53          HG11      ILE  53  97.478   1.128  -3.162
  455   HG21  ILE  53          HG21      ILE  53  97.882  -2.277  -4.609
  456   HG22  ILE  53          HG22      ILE  53  96.721  -1.113  -3.975
  457   HG23  ILE  53          HG23      ILE  53  97.843  -1.926  -2.881
  458   HD11  ILE  53          HD11      ILE  53  98.398  -0.771  -1.535
  459   HD12  ILE  53          HD12      ILE  53  98.159   0.861  -0.932
  460   HD13  ILE  53          HD13      ILE  53  99.775   0.317  -1.393
  461    H    LYS  54           HN       LYS  54 100.943  -0.548  -6.243
  462    HA   LYS  54           HA       LYS  54 100.288  -3.016  -7.434
  463    HB2  LYS  54           HB2      LYS  54 102.485  -1.106  -8.261
  464    HB3  LYS  54           HB1      LYS  54 101.620  -2.240  -9.296
  465    HG2  LYS  54           HG2      LYS  54 100.307   0.069  -7.824
  466    HG3  LYS  54           HG1      LYS  54 100.799   0.120  -9.515
  467    HD2  LYS  54           HD2      LYS  54  99.347  -1.967  -9.839
  468    HD3  LYS  54           HD1      LYS  54  98.672  -1.611  -8.247
  469    HE2  LYS  54           HE2      LYS  54  98.079   0.671  -9.048
  470    HE3  LYS  54           HE1      LYS  54  98.653   0.224 -10.656
  471    HZ1  LYS  54           HZ1      LYS  54  96.611  -1.363  -9.221
  472    HZ2  LYS  54           HZ2      LYS  54  96.993  -1.386 -10.877
  473    HZ3  LYS  54           HZ3      LYS  54  96.192  -0.046 -10.206
  474    H    ARG  55           HN       ARG  55 103.490  -1.784  -6.461
  475    HA   ARG  55           HA       ARG  55 104.840  -4.221  -6.937
  476    HB2  ARG  55           HB2      ARG  55 105.550  -1.824  -5.255
  477    HB3  ARG  55           HB1      ARG  55 106.617  -3.207  -5.429
  478    HG2  ARG  55           HG2      ARG  55 106.621  -2.909  -7.869
  479    HG3  ARG  55           HG1      ARG  55 105.521  -1.538  -7.710
  480    HD2  ARG  55           HD2      ARG  55 107.187  -0.321  -6.393
  481    HD3  ARG  55           HD1      ARG  55 108.281  -1.698  -6.468
  482    HE   ARG  55           HE       ARG  55 107.497  -0.781  -9.076
  483   HH11  ARG  55          HH11      ARG  55 109.117   0.229 -10.308
  484   HH12  ARG  55          HH12      ARG  55 110.560   0.793  -9.534
  485   HH21  ARG  55          HH21      ARG  55 109.589  -0.248  -6.372
  486   HH22  ARG  55          HH22      ARG  55 110.828   0.523  -7.306
  487    H    TRP  56           HN       TRP  56 103.132  -2.936  -4.146
  488    HA   TRP  56           HA       TRP  56 104.089  -4.651  -2.183
  489    HB2  TRP  56           HB2      TRP  56 102.724  -2.844  -1.495
  490    HB3  TRP  56           HB1      TRP  56 101.403  -3.356  -2.545
  491    HD1  TRP  56           HD1      TRP  56  99.535  -4.428  -1.241
  492    HE1  TRP  56           HE1      TRP  56  99.346  -5.925   0.849
  493    HE3  TRP  56           HE3      TRP  56 104.473  -4.837   0.012
  494    HZ2  TRP  56           HZ2      TRP  56 101.061  -7.139   2.791
  495    HZ3  TRP  56           HZ3      TRP  56 105.166  -6.168   1.973
  496    HH2  TRP  56           HH2      TRP  56 103.475  -7.321   3.362
  497    H    ARG  57           HN       ARG  57 101.574  -5.118  -4.594
  498    HA   ARG  57           HA       ARG  57 100.622  -7.608  -3.616
  499    HB2  ARG  57           HB2      ARG  57 100.522  -6.381  -6.387
  500    HB3  ARG  57           HB1      ARG  57  99.741  -7.900  -5.958
  501    HG2  ARG  57           HG2      ARG  57  98.461  -6.757  -4.188
  502    HG3  ARG  57           HG1      ARG  57  99.228  -5.232  -4.620
  503    HD2  ARG  57           HD2      ARG  57  97.642  -6.901  -6.578
  504    HD3  ARG  57           HD1      ARG  57  96.938  -5.592  -5.635
  505    HE   ARG  57           HE       ARG  57  99.195  -4.561  -6.925
  506   HH11  ARG  57          HH11      ARG  57  98.951  -3.400  -8.860
  507   HH12  ARG  57          HH12      ARG  57  97.533  -3.624  -9.828
  508   HH21  ARG  57          HH21      ARG  57  96.123  -5.959  -7.686
  509   HH22  ARG  57          HH22      ARG  57  95.931  -5.075  -9.163
  510    H    ARG  58           HN       ARG  58 103.149  -6.707  -5.933
  511    HA   ARG  58           HA       ARG  58 103.742  -9.297  -6.877
  512    HB2  ARG  58           HB2      ARG  58 105.435  -6.821  -6.573
  513    HB3  ARG  58           HB1      ARG  58 106.040  -8.302  -7.316
  514    HG2  ARG  58           HG2      ARG  58 104.227  -8.228  -8.976
  515    HG3  ARG  58           HG1      ARG  58 103.574  -6.778  -8.214
  516    HD2  ARG  58           HD2      ARG  58 105.613  -5.543  -8.730
  517    HD3  ARG  58           HD1      ARG  58 106.354  -6.992  -9.402
  518    HE   ARG  58           HE       ARG  58 103.864  -6.310 -10.683
  519   HH11  ARG  58          HH11      ARG  58 104.024  -5.602 -12.836
  520   HH12  ARG  58          HH12      ARG  58 105.559  -5.101 -13.465
  521   HH21  ARG  58          HH21      ARG  58 107.265  -5.698 -10.506
  522   HH22  ARG  58          HH22      ARG  58 107.393  -5.156 -12.146
  523    H    VAL  59           HN       VAL  59 105.290  -7.445  -4.251
  524    HA   VAL  59           HA       VAL  59 107.057  -9.524  -3.431
  525    HB   VAL  59           HB       VAL  59 107.503  -7.242  -2.747
  526   HG11  VAL  59          HG11      VAL  59 106.004  -5.974  -1.352
  527   HG12  VAL  59          HG12      VAL  59 104.939  -7.361  -1.142
  528   HG13  VAL  59          HG13      VAL  59 105.085  -6.586  -2.714
  529   HG21  VAL  59          HG21      VAL  59 108.262  -7.777  -0.669
  530   HG22  VAL  59          HG22      VAL  59 107.651  -9.385  -1.070
  531   HG23  VAL  59          HG23      VAL  59 106.664  -8.279  -0.104
  532    H    GLY  60           HN       GLY  60 103.802  -8.586  -2.359
  533    HA2  GLY  60           HA2      GLY  60 103.598 -10.373  -0.189
  534    HA3  GLY  60           HA1      GLY  60 102.242  -9.698  -1.084
  535    H    ASP  61           HN       ASP  61 102.614 -10.738  -3.595
  536    HA   ASP  61           HA       ASP  61 101.656 -13.409  -3.261
  537    HB2  ASP  61           HB2      ASP  61 102.244 -11.621  -5.592
  538    HB3  ASP  61           HB1      ASP  61 101.991 -13.341  -5.875
  539    H    CYS  62           HN       CYS  62 104.705 -11.993  -4.265
  540    HA   CYS  62           HA       CYS  62 105.939 -14.395  -5.148
  541    HB2  CYS  62           HB2      CYS  62 107.108 -11.799  -4.131
  542    HB3  CYS  62           HB1      CYS  62 108.078 -13.116  -4.787
  543    HG   CYS  62           HG       CYS  62 107.579 -11.730  -6.864
  544    H    PHE  63           HN       PHE  63 105.787 -12.788  -1.993
  545    HA   PHE  63           HA       PHE  63 107.548 -14.739  -0.762
  546    HB2  PHE  63           HB2      PHE  63 106.069 -12.301   0.156
  547    HB3  PHE  63           HB1      PHE  63 106.672 -13.455   1.346
  548    HD1  PHE  63           HD1      PHE  63 108.775 -12.968   2.220
  549    HD2  PHE  63           HD2      PHE  63 107.907 -11.911  -1.853
  550    HE1  PHE  63           HE1      PHE  63 111.055 -12.025   1.977
  551    HE2  PHE  63           HE2      PHE  63 110.188 -10.969  -2.095
  552    HZ   PHE  63           HZ       PHE  63 111.762 -11.026  -0.179
  553    H    GLN  64           HN       GLN  64 104.100 -13.939  -0.760
  554    HA   GLN  64           HA       GLN  64 103.300 -15.834   1.163
  555    HB2  GLN  64           HB2      GLN  64 101.836 -14.005   0.441
  556    HB3  GLN  64           HB1      GLN  64 101.734 -14.717  -1.169
  557    HG2  GLN  64           HG2      GLN  64 100.617 -16.676  -0.315
  558    HG3  GLN  64           HG1      GLN  64 100.896 -16.172   1.352
  559   HE21  GLN  64          HE21      GLN  64  98.248 -16.669   0.360
  560   HE22  GLN  64          HE22      GLN  64  97.409 -15.194   0.332
  561    H    ASP  65           HN       ASP  65 103.524 -16.046  -2.363
  562    HA   ASP  65           HA       ASP  65 102.494 -18.666  -2.600
  563    HB2  ASP  65           HB2      ASP  65 102.648 -17.301  -4.552
  564    HB3  ASP  65           HB1      ASP  65 104.377 -17.055  -4.309
  565    H    TYR  66           HN       TYR  66 105.881 -17.508  -2.561
  566    HA   TYR  66           HA       TYR  66 107.069 -20.065  -2.598
  567    HB2  TYR  66           HB2      TYR  66 108.413 -18.155  -3.117
  568    HB3  TYR  66           HB1      TYR  66 108.058 -17.405  -1.562
  569    HD1  TYR  66           HD1      TYR  66 110.164 -19.772  -3.342
  570    HD2  TYR  66           HD2      TYR  66 108.901 -18.479   0.555
  571    HE1  TYR  66           HE1      TYR  66 112.108 -20.930  -2.327
  572    HE2  TYR  66           HE2      TYR  66 110.844 -19.638   1.570
  573    HH   TYR  66           HH       TYR  66 112.705 -21.901  -0.096
  574    H    TYR  67           HN       TYR  67 106.212 -17.935   0.105
  575    HA   TYR  67           HA       TYR  67 107.244 -19.559   2.162
  576    HB2  TYR  67           HB2      TYR  67 106.577 -17.174   2.441
  577    HB3  TYR  67           HB1      TYR  67 104.893 -17.661   2.313
  578    HD1  TYR  67           HD1      TYR  67 107.988 -18.699   4.174
  579    HD2  TYR  67           HD2      TYR  67 103.747 -18.020   4.316
  580    HE1  TYR  67           HE1      TYR  67 107.976 -19.276   6.583
  581    HE2  TYR  67           HE2      TYR  67 103.743 -18.590   6.724
  582    HH   TYR  67           HH       TYR  67 104.952 -19.530   8.398
  583    H    ASN  68           HN       ASN  68 103.993 -19.361   0.745
  584    HA   ASN  68           HA       ASN  68 102.783 -21.259   2.459
  585    HB2  ASN  68           HB2      ASN  68 102.114 -20.389  -0.367
  586    HB3  ASN  68           HB1      ASN  68 101.083 -21.436   0.607
  587   HD21  ASN  68          HD21      ASN  68  99.794 -19.176  -0.030
  588   HD22  ASN  68          HD22      ASN  68  99.798 -18.047   1.238
  589    H    THR  69           HN       THR  69 104.421 -21.571  -0.685
  590    HA   THR  69           HA       THR  69 103.852 -24.322  -1.079
  591    HB   THR  69           HB       THR  69 105.692 -24.258  -2.729
  592    HG1  THR  69           HG1      THR  69 107.227 -22.976  -2.077
  593   HG21  THR  69          HG21      THR  69 103.462 -22.363  -2.605
  594   HG22  THR  69          HG22      THR  69 103.996 -23.388  -3.938
  595   HG23  THR  69          HG23      THR  69 104.765 -21.826  -3.665
  596    H    PHE  70           HN       PHE  70 106.317 -22.627   0.726
  597    HA   PHE  70           HA       PHE  70 107.496 -25.226   1.478
  598    HB2  PHE  70           HB2      PHE  70 108.694 -22.448   1.566
  599    HB3  PHE  70           HB1      PHE  70 109.483 -23.894   2.190
  600    HD1  PHE  70           HD1      PHE  70 109.315 -21.785  -0.584
  601    HD2  PHE  70           HD2      PHE  70 109.396 -25.964   0.427
  602    HE1  PHE  70           HE1      PHE  70 110.130 -22.328  -2.865
  603    HE2  PHE  70           HE2      PHE  70 110.214 -26.499  -1.849
  604    HZ   PHE  70           HZ       PHE  70 110.586 -24.681  -3.494
  605    H    GLY  71           HN       GLY  71 105.153 -23.452   2.525
  606    HA2  GLY  71           HA2      GLY  71 105.924 -23.678   5.373
  607    HA3  GLY  71           HA1      GLY  71 105.014 -22.308   4.757
  608    HA   PRO  72           HA       PRO  72 101.940 -25.477   6.118
  609    HB2  PRO  72           HB2      PRO  72 100.496 -23.857   7.761
  610    HB3  PRO  72           HB1      PRO  72 101.964 -24.703   8.290
  611    HG2  PRO  72           HG2      PRO  72 101.567 -21.856   7.607
  612    HG3  PRO  72           HG1      PRO  72 102.679 -22.604   8.762
  613    HD2  PRO  72           HD2      PRO  72 103.349 -21.687   6.190
  614    HD3  PRO  72           HD1      PRO  72 104.348 -22.741   7.213
  615    H    GLU  73           HN       GLU  73  99.628 -25.597   5.664
  616    HA   GLU  73           HA       GLU  73  98.881 -24.163   3.312
  617    HB2  GLU  73           HB2      GLU  73  97.473 -26.124   5.111
  618    HB3  GLU  73           HB1      GLU  73  96.673 -25.373   3.738
  619    HG2  GLU  73           HG2      GLU  73  98.346 -26.267   2.209
  620    HG3  GLU  73           HG1      GLU  73  99.288 -26.899   3.557
  621    H    LYS  74           HN       LYS  74  98.160 -23.907   6.713
  622    HA   LYS  74           HA       LYS  74  95.896 -22.236   6.570
  623    HB2  LYS  74           HB2      LYS  74  97.937 -22.023   8.778
  624    HB3  LYS  74           HB1      LYS  74  96.180 -21.863   8.873
  625    HG2  LYS  74           HG2      LYS  74  97.775 -24.400   8.392
  626    HG3  LYS  74           HG1      LYS  74  96.749 -24.041   9.780
  627    HD2  LYS  74           HD2      LYS  74  94.820 -23.831   8.092
  628    HD3  LYS  74           HD1      LYS  74  95.914 -24.586   6.927
  629    HE2  LYS  74           HE2      LYS  74  96.165 -26.537   8.340
  630    HE3  LYS  74           HE1      LYS  74  95.197 -25.789   9.610
  631    HZ1  LYS  74           HZ1      LYS  74  94.358 -26.936   7.060
  632    HZ2  LYS  74           HZ2      LYS  74  93.504 -25.578   7.619
  633    HZ3  LYS  74           HZ3      LYS  74  93.592 -26.982   8.572
  634    H    VAL  75           HN       VAL  75  99.328 -21.494   6.798
  635    HA   VAL  75           HA       VAL  75 100.506 -19.635   6.334
  636    HB   VAL  75           HB       VAL  75  98.107 -18.737   4.756
  637   HG11  VAL  75          HG11      VAL  75  99.772 -17.465   3.476
  638   HG12  VAL  75          HG12      VAL  75 101.073 -18.125   4.465
  639   HG13  VAL  75          HG13      VAL  75  99.895 -17.022   5.179
  640   HG21  VAL  75          HG21      VAL  75  98.961 -21.064   4.223
  641   HG22  VAL  75          HG22      VAL  75 100.521 -20.337   3.856
  642   HG23  VAL  75          HG23      VAL  75  99.110 -19.923   2.889
  643    HA   PRO  76           HA       PRO  76  99.298 -16.902   9.700
  644    HB2  PRO  76           HB2      PRO  76 101.037 -14.934   8.277
  645    HB3  PRO  76           HB1      PRO  76 101.071 -15.440   9.977
  646    HG2  PRO  76           HG2      PRO  76 102.888 -16.278   8.212
  647    HG3  PRO  76           HG1      PRO  76 102.312 -17.308   9.533
  648    HD2  PRO  76           HD2      PRO  76 101.714 -17.457   6.629
  649    HD3  PRO  76           HD1      PRO  76 101.747 -18.742   7.870
  650    H    VAL  77           HN       VAL  77  97.461 -15.783   9.799
  651    HA   VAL  77           HA       VAL  77  96.317 -14.518   7.427
  652    HB   VAL  77           HB       VAL  77  95.242 -14.682  10.247
  653   HG11  VAL  77          HG11      VAL  77  93.652 -13.299   9.454
  654   HG12  VAL  77          HG12      VAL  77  93.176 -14.578   8.338
  655   HG13  VAL  77          HG13      VAL  77  94.341 -13.357   7.830
  656   HG21  VAL  77          HG21      VAL  77  94.669 -16.859   9.818
  657   HG22  VAL  77          HG22      VAL  77  95.629 -16.782   8.330
  658   HG23  VAL  77          HG23      VAL  77  93.908 -16.381   8.302
  659    H    THR  78           HN       THR  78  98.039 -13.574  10.277
  660    HA   THR  78           HA       THR  78  97.223 -10.982  10.696
  661    HB   THR  78           HB       THR  78  99.381 -10.562  11.615
  662    HG1  THR  78           HG1      THR  78 101.115 -12.044  11.026
  663   HG21  THR  78          HG21      THR  78  99.279 -12.205  13.172
  664   HG22  THR  78          HG22      THR  78  99.584 -13.465  11.976
  665   HG23  THR  78          HG23      THR  78  97.948 -12.853  12.212
  666    H    ALA  79           HN       ALA  79  98.953 -12.290   7.961
  667    HA   ALA  79           HA       ALA  79 100.023  -9.944   6.879
  668    HB1  ALA  79           HB1      ALA  79  99.203 -12.601   5.796
  669    HB2  ALA  79           HB2      ALA  79 100.800 -11.849   5.839
  670    HB3  ALA  79           HB3      ALA  79  99.604 -11.305   4.662
  671    H    PHE  80           HN       PHE  80  96.777 -11.089   7.034
  672    HA   PHE  80           HA       PHE  80  95.679  -9.693   4.815
  673    HB2  PHE  80           HB2      PHE  80  94.525 -10.926   7.303
  674    HB3  PHE  80           HB1      PHE  80  93.518  -9.961   6.251
  675    HD1  PHE  80           HD1      PHE  80  92.358 -11.085   4.579
  676    HD2  PHE  80           HD2      PHE  80  96.125 -12.646   5.930
  677    HE1  PHE  80           HE1      PHE  80  92.116 -13.007   3.034
  678    HE2  PHE  80           HE2      PHE  80  95.882 -14.569   4.385
  679    HZ   PHE  80           HZ       PHE  80  93.877 -14.749   2.936
  680    H    SER  81           HN       SER  81  96.223  -8.860   8.209
  681    HA   SER  81           HA       SER  81  94.770  -6.421   8.181
  682    HB2  SER  81           HB2      SER  81  96.047  -5.909  10.235
  683    HB3  SER  81           HB1      SER  81  95.369  -7.534  10.270
  684    HG   SER  81           HG       SER  81  97.388  -8.014  10.710
  685    H    TYR  82           HN       TYR  82  98.075  -7.294   7.339
  686    HA   TYR  82           HA       TYR  82  99.209  -4.727   7.245
  687    HB2  TYR  82           HB2      TYR  82  99.794  -7.330   5.913
  688    HB3  TYR  82           HB1      TYR  82 100.603  -5.887   5.324
  689    HD1  TYR  82           HD1      TYR  82 102.241  -4.732   6.624
  690    HD2  TYR  82           HD2      TYR  82 100.106  -8.076   8.275
  691    HE1  TYR  82           HE1      TYR  82 103.829  -4.817   8.534
  692    HE2  TYR  82           HE2      TYR  82 101.692  -8.156  10.179
  693    HH   TYR  82           HH       TYR  82 104.258  -5.724  10.538
  694    H    TRP  83           HN       TRP  83  97.652  -6.636   4.660
  695    HA   TRP  83           HA       TRP  83  97.929  -4.717   2.624
  696    HB2  TRP  83           HB2      TRP  83  97.269  -6.990   2.113
  697    HB3  TRP  83           HB1      TRP  83  95.778  -6.798   3.037
  698    HD1  TRP  83           HD1      TRP  83  97.525  -5.012   0.072
  699    HE1  TRP  83           HE1      TRP  83  95.710  -4.317  -1.622
  700    HE3  TRP  83           HE3      TRP  83  93.352  -6.615   2.542
  701    HZ2  TRP  83           HZ2      TRP  83  92.864  -4.427  -1.894
  702    HZ3  TRP  83           HZ3      TRP  83  91.104  -6.307   1.544
  703    HH2  TRP  83           HH2      TRP  83  90.856  -5.216  -0.669
  704    H    ASN  84           HN       ASN  84  95.229  -5.259   4.885
  705    HA   ASN  84           HA       ASN  84  93.565  -3.211   3.888
  706    HB2  ASN  84           HB2      ASN  84  93.776  -4.575   6.567
  707    HB3  ASN  84           HB1      ASN  84  92.581  -3.318   6.258
  708   HD21  ASN  84          HD21      ASN  84  91.850  -6.059   6.813
  709   HD22  ASN  84          HD22      ASN  84  91.124  -6.693   5.415
  710    H    LEU  85           HN       LEU  85  96.072  -3.162   6.426
  711    HA   LEU  85           HA       LEU  85  95.550  -0.499   7.240
  712    HB2  LEU  85           HB2      LEU  85  96.745  -2.165   8.635
  713    HB3  LEU  85           HB1      LEU  85  98.084  -2.132   7.491
  714    HG   LEU  85           HG       LEU  85  98.338   0.315   7.895
  715   HD11  LEU  85          HD11      LEU  85  96.367   1.218   8.653
  716   HD12  LEU  85          HD12      LEU  85  97.124   0.918  10.216
  717   HD13  LEU  85          HD13      LEU  85  95.937  -0.216   9.583
  718   HD21  LEU  85          HD21      LEU  85  98.722  -1.811   9.917
  719   HD22  LEU  85          HD22      LEU  85  98.801  -0.166  10.550
  720   HD23  LEU  85          HD23      LEU  85  99.886  -0.663   9.253
  721    H    ILE  86           HN       ILE  86  98.324  -1.829   5.427
  722    HA   ILE  86           HA       ILE  86  99.414   0.607   4.655
  723    HB   ILE  86           HB       ILE  86  99.641  -2.199   3.785
  724   HG12  ILE  86          HG12      ILE  86 101.879  -0.207   3.782
  725   HG13  ILE  86          HG11      ILE  86 101.152  -0.605   5.340
  726   HG21  ILE  86          HG21      ILE  86 100.311   0.099   1.940
  727   HG22  ILE  86          HG22      ILE  86  99.283  -1.292   1.576
  728   HG23  ILE  86          HG23      ILE  86 101.019  -1.498   1.778
  729   HD11  ILE  86          HD11      ILE  86 102.984  -2.130   4.974
  730   HD12  ILE  86          HD12      ILE  86 102.400  -2.523   3.354
  731   HD13  ILE  86          HD13      ILE  86 101.497  -3.046   4.778
  732    H    LYS  87           HN       LYS  87  96.803  -1.246   3.258
  733    HA   LYS  87           HA       LYS  87  96.585   0.017   0.776
  734    HB2  LYS  87           HB2      LYS  87  95.241  -1.883   1.061
  735    HB3  LYS  87           HB1      LYS  87  94.574  -1.301   2.588
  736    HG2  LYS  87           HG2      LYS  87  93.259   0.380   1.465
  737    HG3  LYS  87           HG1      LYS  87  94.072   0.059  -0.076
  738    HD2  LYS  87           HD2      LYS  87  93.123  -2.215  -0.095
  739    HD3  LYS  87           HD1      LYS  87  92.340  -1.901   1.455
  740    HE2  LYS  87           HE2      LYS  87  91.053  -0.065   0.453
  741    HE3  LYS  87           HE1      LYS  87  91.848  -0.337  -1.097
  742    HZ1  LYS  87           HZ1      LYS  87  90.190  -1.737  -1.508
  743    HZ2  LYS  87           HZ2      LYS  87  89.671  -1.748   0.110
  744    HZ3  LYS  87           HZ3      LYS  87  90.913  -2.791  -0.395
  745    H    GLU  88           HN       GLU  88  95.068   0.910   3.914
  746    HA   GLU  88           HA       GLU  88  93.988   3.300   2.721
  747    HB2  GLU  88           HB2      GLU  88  92.652   3.385   4.571
  748    HB3  GLU  88           HB1      GLU  88  93.065   1.674   4.601
  749    HG2  GLU  88           HG2      GLU  88  93.470   2.333   6.810
  750    HG3  GLU  88           HG1      GLU  88  95.072   2.391   6.095
  751    H    LEU  89           HN       LEU  89  96.833   2.326   4.332
  752    HA   LEU  89           HA       LEU  89  97.460   4.565   5.844
  753    HB2  LEU  89           HB2      LEU  89  98.704   2.383   5.795
  754    HB3  LEU  89           HB1      LEU  89  99.423   2.883   4.279
  755    HG   LEU  89           HG       LEU  89 100.317   4.886   5.420
  756   HD11  LEU  89          HD11      LEU  89  99.213   5.441   7.325
  757   HD12  LEU  89          HD12      LEU  89 100.359   4.334   8.080
  758   HD13  LEU  89          HD13      LEU  89  98.745   3.771   7.649
  759   HD21  LEU  89          HD21      LEU  89 101.560   2.652   5.212
  760   HD22  LEU  89          HD22      LEU  89 101.190   2.428   6.922
  761   HD23  LEU  89          HD23      LEU  89 102.171   3.797   6.401
  762    H    ILE  90           HN       ILE  90  98.044   3.861   2.430
  763    HA   ILE  90           HA       ILE  90  99.554   6.183   1.903
  764    HB   ILE  90           HB       ILE  90  97.811   4.506   0.063
  765   HG12  ILE  90          HG12      ILE  90 100.766   4.615   0.699
  766   HG13  ILE  90          HG11      ILE  90  99.663   3.296   1.033
  767   HG21  ILE  90          HG21      ILE  90  99.046   5.626  -1.795
  768   HG22  ILE  90          HG22      ILE  90  99.867   6.661  -0.626
  769   HG23  ILE  90          HG23      ILE  90  98.131   6.801  -0.879
  770   HD11  ILE  90          HD11      ILE  90 100.803   2.647  -0.968
  771   HD12  ILE  90          HD12      ILE  90 100.638   4.252  -1.664
  772   HD13  ILE  90          HD13      ILE  90  99.223   3.216  -1.498
  773    H    ASP  91           HN       ASP  91  96.068   5.514   1.698
  774    HA   ASP  91           HA       ASP  91  95.179   7.856   0.515
  775    HB2  ASP  91           HB2      ASP  91  93.914   6.086   2.606
  776    HB3  ASP  91           HB1      ASP  91  93.067   7.460   1.904
  777    H    LYS  92           HN       LYS  92  96.705   7.476   3.524
  778    HA   LYS  92           HA       LYS  92  95.527   9.644   4.938
  779    HB2  LYS  92           HB2      LYS  92  97.074   7.692   5.776
  780    HB3  LYS  92           HB1      LYS  92  98.376   8.808   5.365
  781    HG2  LYS  92           HG2      LYS  92  97.456  10.509   6.841
  782    HG3  LYS  92           HG1      LYS  92  96.041   9.508   7.175
  783    HD2  LYS  92           HD2      LYS  92  97.522   7.777   8.159
  784    HD3  LYS  92           HD1      LYS  92  98.908   8.834   7.885
  785    HE2  LYS  92           HE2      LYS  92  97.958  10.536   9.346
  786    HE3  LYS  92           HE1      LYS  92  96.490   9.580   9.553
  787    HZ1  LYS  92           HZ1      LYS  92  99.227   8.796  10.397
  788    HZ2  LYS  92           HZ2      LYS  92  97.844   7.819  10.539
  789    HZ3  LYS  92           HZ3      LYS  92  97.958   9.267  11.421
  790    H    LYS  93           HN       LYS  93  96.057  11.778   5.026
  791    HA   LYS  93           HA       LYS  93  97.637  12.825   2.821
  792    HB2  LYS  93           HB2      LYS  93  96.758  14.983   3.468
  793    HB3  LYS  93           HB1      LYS  93  95.436  13.817   3.482
  794    HG2  LYS  93           HG2      LYS  93  95.773  13.536   5.951
  795    HG3  LYS  93           HG1      LYS  93  96.980  14.821   5.898
  796    HD2  LYS  93           HD2      LYS  93  95.285  16.376   5.001
  797    HD3  LYS  93           HD1      LYS  93  94.073  15.097   5.093
  798    HE2  LYS  93           HE2      LYS  93  94.477  14.922   7.541
  799    HE3  LYS  93           HE1      LYS  93  95.624  16.256   7.425
  800    HZ1  LYS  93           HZ1      LYS  93  93.382  16.960   8.104
  801    HZ2  LYS  93           HZ2      LYS  93  92.775  16.415   6.613
  802    HZ3  LYS  93           HZ3      LYS  93  93.890  17.696   6.663
  803    H    GLU  94           HN       GLU  94  98.490  11.597   5.684
  804    HA   GLU  94           HA       GLU  94 100.412  13.712   6.383
  805    HB2  GLU  94           HB2      GLU  94  98.928  12.591   8.133
  806    HB3  GLU  94           HB1      GLU  94  99.910  11.146   7.889
  807    HG2  GLU  94           HG2      GLU  94 101.936  12.376   8.506
  808    HG3  GLU  94           HG1      GLU  94 101.009  13.865   8.656
  809    H    VAL  95           HN       VAL  95 101.156  12.722   4.041
  810    HA   VAL  95           HA       VAL  95 103.240  10.705   4.642
  811    HB   VAL  95           HB       VAL  95 102.063  11.366   1.934
  812   HG11  VAL  95          HG11      VAL  95 104.415  10.054   2.654
  813   HG12  VAL  95          HG12      VAL  95 103.591   9.934   1.099
  814   HG13  VAL  95          HG13      VAL  95 103.269   8.748   2.364
  815   HG21  VAL  95          HG21      VAL  95 100.951   9.857   4.107
  816   HG22  VAL  95          HG22      VAL  95 101.377   8.753   2.799
  817   HG23  VAL  95          HG23      VAL  95 100.296  10.109   2.490
  818    H    ASN  96           HN       ASN  96 105.286  11.316   4.478
  819    HA   ASN  96           HA       ASN  96 106.214  13.857   4.363
  820    HB2  ASN  96           HB2      ASN  96 107.372  11.230   4.022
  821    HB3  ASN  96           HB1      ASN  96 108.173  12.397   2.981
  822   HD21  ASN  96          HD21      ASN  96 110.096  12.774   4.180
  823   HD22  ASN  96          HD22      ASN  96 110.102  13.374   5.768
  824    HA   PRO  97           HA       PRO  97 106.049  15.813   0.416
  825    HB2  PRO  97           HB2      PRO  97 109.002  15.475   0.161
  826    HB3  PRO  97           HB1      PRO  97 108.011  16.933  -0.029
  827    HG2  PRO  97           HG2      PRO  97 109.484  16.447   2.169
  828    HG3  PRO  97           HG1      PRO  97 107.971  17.363   2.204
  829    HD2  PRO  97           HD2      PRO  97 108.536  14.675   3.255
  830    HD3  PRO  97           HD1      PRO  97 107.205  15.782   3.645
  831    H    GLN  98           HN       GLN  98 107.599  12.742   0.797
  832    HA   GLN  98           HA       GLN  98 108.244  11.960  -1.746
  833    HB2  GLN  98           HB2      GLN  98 107.994   9.750  -1.037
  834    HB3  GLN  98           HB1      GLN  98 108.247  10.614   0.474
  835    HG2  GLN  98           HG2      GLN  98 105.649  10.855   0.462
  836    HG3  GLN  98           HG1      GLN  98 105.711   9.485  -0.645
  837   HE21  GLN  98          HE21      GLN  98 105.194   7.670   0.613
  838   HE22  GLN  98          HE22      GLN  98 105.914   7.299   2.105
  839    H    VAL  99           HN       VAL  99 105.201  13.047  -0.716
  840    HA   VAL  99           HA       VAL  99 103.445  11.508  -2.282
  841    HB   VAL  99           HB       VAL  99 103.310  14.415  -1.463
  842   HG11  VAL  99          HG11      VAL  99 100.729  13.540  -1.766
  843   HG12  VAL  99          HG12      VAL  99 101.539  12.724  -3.105
  844   HG13  VAL  99          HG13      VAL  99 101.611  14.481  -2.969
  845   HG21  VAL  99          HG21      VAL  99 101.854  12.028  -0.309
  846   HG22  VAL  99          HG22      VAL  99 102.034  13.635   0.395
  847   HG23  VAL  99          HG23      VAL  99 103.423  12.553   0.300
  848    H    MET 100           HN       MET 100 105.171  14.524  -3.080
  849    HA   MET 100           HA       MET 100 104.146  14.737  -5.722
  850    HB2  MET 100           HB2      MET 100 106.625  15.887  -4.421
  851    HB3  MET 100           HB1      MET 100 106.086  16.309  -6.044
  852    HG2  MET 100           HG2      MET 100 104.384  16.616  -3.555
  853    HG3  MET 100           HG1      MET 100 105.307  17.925  -4.285
  854    HE1  MET 100           HE1      MET 100 104.713  17.348  -7.671
  855    HE2  MET 100           HE2      MET 100 105.276  18.559  -6.522
  856    HE3  MET 100           HE3      MET 100 103.801  18.846  -7.438
  857    H    ALA 101           HN       ALA 101 106.998  13.222  -4.352
  858    HA   ALA 101           HA       ALA 101 108.052  12.486  -6.957
  859    HB1  ALA 101           HB1      ALA 101 108.922  12.117  -4.101
  860    HB2  ALA 101           HB2      ALA 101 109.789  12.880  -5.437
  861    HB3  ALA 101           HB3      ALA 101 109.648  11.121  -5.375
  862    H    ALA 102           HN       ALA 102 105.911  11.199  -4.664
  863    HA   ALA 102           HA       ALA 102 106.266   8.412  -5.406
  864    HB1  ALA 102           HB1      ALA 102 105.600   8.825  -3.127
  865    HB2  ALA 102           HB2      ALA 102 104.229   8.072  -3.959
  866    HB3  ALA 102           HB3      ALA 102 104.226   9.807  -3.662
  867    H    VAL 103           HN       VAL 103 103.759  10.903  -5.851
  868    HA   VAL 103           HA       VAL 103 101.872   9.570  -7.301
  869    HB   VAL 103           HB       VAL 103 102.977  12.356  -7.671
  870   HG11  VAL 103          HG11      VAL 103 102.046  11.946  -9.798
  871   HG12  VAL 103          HG12      VAL 103 100.697  12.650  -8.908
  872   HG13  VAL 103          HG13      VAL 103 100.780  10.906  -9.147
  873   HG21  VAL 103          HG21      VAL 103 101.433  12.945  -6.107
  874   HG22  VAL 103          HG22      VAL 103 101.383  11.227  -5.711
  875   HG23  VAL 103          HG23      VAL 103 100.193  11.912  -6.817
  876    H    ALA 104           HN       ALA 104 105.127   9.948  -8.152
  877    HA   ALA 104           HA       ALA 104 105.078  10.041 -10.950
  878    HB1  ALA 104           HB1      ALA 104 107.005   8.965  -8.920
  879    HB2  ALA 104           HB2      ALA 104 107.213  10.288 -10.069
  880    HB3  ALA 104           HB3      ALA 104 107.269   8.617 -10.629
  881    H    GLN 105           HN       GLN 105 104.403   7.437  -8.718
  882    HA   GLN 105           HA       GLN 105 103.938   5.191  -9.057
  883    HB2  GLN 105           HB2      GLN 105 102.411   6.563 -11.281
  884    HB3  GLN 105           HB1      GLN 105 102.159   4.884 -10.810
  885    HG2  GLN 105           HG2      GLN 105 101.596   5.587  -8.527
  886    HG3  GLN 105           HG1      GLN 105 101.874   7.270  -8.970
  887   HE21  GLN 105          HE21      GLN 105  99.386   7.002  -8.092
  888   HE22  GLN 105          HE22      GLN 105  98.248   6.855  -9.343
  889    H    THR 106           HN       THR 106 103.357   3.823 -11.464
  890    HA   THR 106           HA       THR 106 105.925   2.993 -12.258
  891    HB   THR 106           HB       THR 106 103.404   2.623 -13.881
  892    HG1  THR 106           HG1      THR 106 104.311   1.297 -11.548
  893   HG21  THR 106          HG21      THR 106 105.848   1.875 -14.559
  894   HG22  THR 106          HG22      THR 106 104.485   0.782 -14.798
  895   HG23  THR 106          HG23      THR 106 105.543   0.580 -13.402
  896    H    GLU 107           HN       GLU 107 103.536   5.086 -13.869
  897    HA   GLU 107           HA       GLU 107 105.716   6.098 -15.599
  898    HB2  GLU 107           HB2      GLU 107 102.841   5.555 -16.373
  899    HB3  GLU 107           HB1      GLU 107 104.012   6.402 -17.386
  900    HG2  GLU 107           HG2      GLU 107 105.494   4.412 -17.318
  901    HG3  GLU 107           HG1      GLU 107 104.282   3.559 -16.363
  902    H    GLU 108           HN       GLU 108 105.477   8.298 -16.297
  903    HA   GLU 108           HA       GLU 108 104.491  10.013 -14.233
  904    HB2  GLU 108           HB2      GLU 108 105.565  10.600 -17.004
  905    HB3  GLU 108           HB1      GLU 108 105.177  11.842 -15.811
  906    HG2  GLU 108           HG2      GLU 108 107.133   9.571 -15.336
  907    HG3  GLU 108           HG1      GLU 108 107.605  11.199 -15.821
  908    H    ILE 109           HN       ILE 109 102.486  10.712 -13.975
  909    HA   ILE 109           HA       ILE 109 100.317  10.047 -15.542
  910    HB   ILE 109           HB       ILE 109  99.146  11.955 -14.411
  911   HG12  ILE 109          HG12      ILE 109 101.859  12.533 -13.179
  912   HG13  ILE 109          HG11      ILE 109 101.188  13.477 -14.507
  913   HG21  ILE 109          HG21      ILE 109  99.732  11.204 -12.032
  914   HG22  ILE 109          HG22      ILE 109 100.953  10.165 -12.762
  915   HG23  ILE 109          HG23      ILE 109  99.245   9.924 -13.139
  916   HD11  ILE 109          HD11      ILE 109  99.228  14.042 -13.131
  917   HD12  ILE 109          HD12      ILE 109 100.716  14.538 -12.326
  918   HD13  ILE 109          HD13      ILE 109  99.876  13.078 -11.804
  919    H    LEU 110           HN       LEU 110 102.647  12.578 -16.023
  920    HA   LEU 110           HA       LEU 110 101.165  14.237 -17.766
  921    HB2  LEU 110           HB2      LEU 110 104.142  13.700 -17.614
  922    HB3  LEU 110           HB1      LEU 110 103.407  15.011 -18.535
  923    HG   LEU 110           HG       LEU 110 103.074  14.595 -15.551
  924   HD11  LEU 110          HD11      LEU 110 105.322  15.249 -15.834
  925   HD12  LEU 110          HD12      LEU 110 104.474  16.763 -15.518
  926   HD13  LEU 110          HD13      LEU 110 104.932  16.336 -17.167
  927   HD21  LEU 110          HD21      LEU 110 102.435  17.183 -16.002
  928   HD22  LEU 110          HD22      LEU 110 101.238  15.888 -16.039
  929   HD23  LEU 110          HD23      LEU 110 101.928  16.496 -17.543
  930    H    LYS 111           HN       LYS 111 103.254  11.431 -18.346
  931    HA   LYS 111           HA       LYS 111 103.167  11.506 -21.164
  932    HB2  LYS 111           HB2      LYS 111 104.785  10.152 -19.851
  933    HB3  LYS 111           HB1      LYS 111 103.469   9.078 -19.375
  934    HG2  LYS 111           HG2      LYS 111 103.038   8.549 -21.752
  935    HG3  LYS 111           HG1      LYS 111 104.348   9.630 -22.228
  936    HD2  LYS 111           HD2      LYS 111 105.956   8.249 -20.976
  937    HD3  LYS 111           HD1      LYS 111 104.649   7.172 -20.480
  938    HE2  LYS 111           HE2      LYS 111 105.843   6.237 -22.418
  939    HE3  LYS 111           HE1      LYS 111 104.186   6.652 -22.855
  940    HZ1  LYS 111           HZ1      LYS 111 106.267   8.681 -23.211
  941    HZ2  LYS 111           HZ2      LYS 111 104.853   8.410 -24.112
  942    HZ3  LYS 111           HZ3      LYS 111 106.204   7.402 -24.322
  943    H    SER 112           HN       SER 112 101.190   9.736 -18.796
  944    HA   SER 112           HA       SER 112  99.282   8.452 -19.111
  945    HB2  SER 112           HB2      SER 112  98.515  10.827 -18.926
  946    HB3  SER 112           HB1      SER 112  98.507  10.917 -20.685
  947    HG   SER 112           HG       SER 112  96.641   9.975 -20.617
  948    H    ASN 113           HN       ASN 113  97.834   9.580 -21.780
  949    HA   ASN 113           HA       ASN 113  98.191   7.197 -23.279
  950    HB2  ASN 113           HB2      ASN 113  96.140   8.514 -23.456
  951    HB3  ASN 113           HB1      ASN 113  97.048   9.870 -24.125
  952   HD21  ASN 113          HD21      ASN 113  95.743   9.698 -26.130
  953   HD22  ASN 113          HD22      ASN 113  96.062   8.464 -27.250
  954    H    SER 114           HN       SER 114  99.551  10.448 -23.563
  955    HA   SER 114           HA       SER 114 101.808   9.403 -25.056
  956    HB2  SER 114           HB2      SER 114 101.481  11.082 -26.909
  957    HB3  SER 114           HB1      SER 114 100.329   9.750 -26.911
  958    HG   SER 114           HG       SER 114  98.792  11.136 -26.571
  959    H    GLN 115           HN       GLN 115 103.471  11.074 -25.413
  960    HA   GLN 115           HA       GLN 115 103.846  12.662 -23.086
  961    HB2  GLN 115           HB2      GLN 115 105.301  12.612 -25.739
  962    HB3  GLN 115           HB1      GLN 115 105.831  13.542 -24.337
  963    HG2  GLN 115           HG2      GLN 115 105.988  11.488 -23.004
  964    HG3  GLN 115           HG1      GLN 115 105.405  10.541 -24.372
  965   HE21  GLN 115          HE21      GLN 115 107.754   9.586 -23.677
  966   HE22  GLN 115          HE22      GLN 115 109.040  10.193 -24.602
  967    H    THR 116           HN       THR 116 102.990  14.577 -22.640
  968    HA   THR 116           HA       THR 116 102.070  16.282 -24.873
  969    HB   THR 116           HB       THR 116 100.545  17.307 -23.229
  970    HG1  THR 116           HG1      THR 116 100.751  16.881 -21.187
  971   HG21  THR 116          HG21      THR 116  99.154  15.215 -22.805
  972   HG22  THR 116          HG22      THR 116 100.482  14.299 -23.515
  973   HG23  THR 116          HG23      THR 116  99.621  15.495 -24.483
  974    H    ASP 117           HN       ASP 117 103.504  16.458 -21.608
  975    HA   ASP 117           HA       ASP 117 104.229  19.189 -21.765
  976    HB2  ASP 117           HB2      ASP 117 104.107  17.966 -19.636
  977    HB3  ASP 117           HB1      ASP 117 105.467  16.961 -20.130
  978    H    LEU 118           HN       LEU 118 106.186  16.239 -22.204
  979    HA   LEU 118           HA       LEU 118 108.533  17.603 -23.001
  980    HB2  LEU 118           HB2      LEU 118 108.481  15.241 -22.189
  981    HB3  LEU 118           HB1      LEU 118 107.707  14.777 -23.700
  982    HG   LEU 118           HG       LEU 118 109.660  15.683 -24.956
  983   HD11  LEU 118          HD11      LEU 118 111.739  15.872 -23.257
  984   HD12  LEU 118          HD12      LEU 118 110.461  16.459 -22.194
  985   HD13  LEU 118          HD13      LEU 118 110.773  17.269 -23.727
  986   HD21  LEU 118          HD21      LEU 118 111.322  13.929 -24.054
  987   HD22  LEU 118          HD22      LEU 118 109.746  13.348 -24.588
  988   HD23  LEU 118          HD23      LEU 118 110.075  13.545 -22.867
  989    H    GLU 119           HN       GLU 119 105.834  16.213 -24.808
  990    HA   GLU 119           HA       GLU 119 105.179  16.429 -26.995
  991    HB2  GLU 119           HB2      GLU 119 105.169  18.832 -26.355
  992    HB3  GLU 119           HB1      GLU 119 106.844  18.956 -26.894
  993    HG2  GLU 119           HG2      GLU 119 106.197  18.302 -29.161
  994    HG3  GLU 119           HG1      GLU 119 104.525  18.089 -28.643
  995    H    HIS 120           HN       HIS 120 106.011  14.905 -28.286
  996    HA   HIS 120           HA       HIS 120 108.865  14.919 -28.930
  997    HB2  HIS 120           HB2      HIS 120 107.319  12.848 -28.351
  998    HB3  HIS 120           HB1      HIS 120 106.952  12.927 -30.074
  999    HD1  HIS 120           HD1      HIS 120 110.120  13.103 -27.934
 1000    HD2  HIS 120           HD2      HIS 120 108.776  11.466 -31.526
 1001    HE1  HIS 120           HE1      HIS 120 112.069  11.808 -28.905
 1002    HE2  HIS 120           HE2      HIS 120 111.266  10.804 -31.095
 1003    H    HIS 121           HN       HIS 121 109.618  15.868 -30.701
 1004    HA   HIS 121           HA       HIS 121 108.002  15.905 -33.144
 1005    HB2  HIS 121           HB2      HIS 121 107.537  18.034 -31.892
 1006    HB3  HIS 121           HB1      HIS 121 109.250  18.428 -32.039
 1007    HD1  HIS 121           HD1      HIS 121 110.173  18.874 -34.459
 1008    HD2  HIS 121           HD2      HIS 121 106.042  18.349 -34.269
 1009    HE1  HIS 121           HE1      HIS 121 109.248  19.664 -36.680
 1010    HE2  HIS 121           HE2      HIS 121 106.730  19.351 -36.580
 1011    H    HIS 122           HN       HIS 122 109.207  15.830 -34.992
 1012    HA   HIS 122           HA       HIS 122 112.146  15.750 -34.646
 1013    HB2  HIS 122           HB2      HIS 122 110.399  14.298 -36.647
 1014    HB3  HIS 122           HB1      HIS 122 112.160  14.226 -36.592
 1015    HD1  HIS 122           HD1      HIS 122 113.202  13.229 -34.307
 1016    HD2  HIS 122           HD2      HIS 122 109.129  12.555 -34.885
 1017    HE1  HIS 122           HE1      HIS 122 112.546  11.387 -32.698
 1018    HE2  HIS 122           HE2      HIS 122 110.065  10.964 -33.039
 1019    H    HIS 123           HN       HIS 123 113.340  17.146 -35.778
 1020    HA   HIS 123           HA       HIS 123 111.995  18.765 -37.855
 1021    HB2  HIS 123           HB2      HIS 123 114.328  19.412 -36.043
 1022    HB3  HIS 123           HB1      HIS 123 113.794  20.443 -37.370
 1023    HD1  HIS 123           HD1      HIS 123 112.906  19.380 -33.910
 1024    HD2  HIS 123           HD2      HIS 123 111.196  21.637 -36.971
 1025    HE1  HIS 123           HE1      HIS 123 110.967  20.638 -32.875
 1026    HE2  HIS 123           HE2      HIS 123 109.915  22.018 -34.729
 1027    H    HIS 124           HN       HIS 124 112.684  18.601 -39.885
 1028    HA   HIS 124           HA       HIS 124 115.229  17.184 -40.394
 1029    HB2  HIS 124           HB2      HIS 124 112.725  17.437 -42.074
 1030    HB3  HIS 124           HB1      HIS 124 114.228  16.712 -42.645
 1031    HD1  HIS 124           HD1      HIS 124 114.797  14.361 -41.835
 1032    HD2  HIS 124           HD2      HIS 124 111.431  15.941 -39.953
 1033    HE1  HIS 124           HE1      HIS 124 113.749  12.461 -40.530
 1034    HE2  HIS 124           HE2      HIS 124 111.694  13.408 -39.376
 1035    H    HIS 125           HN       HIS 125 116.712  18.035 -41.815
 1036    HA   HIS 125           HA       HIS 125 116.117  20.605 -43.099
 1037    HB2  HIS 125           HB2      HIS 125 117.082  21.152 -40.887
 1038    HB3  HIS 125           HB1      HIS 125 118.500  20.177 -41.280
 1039    HD1  HIS 125           HD1      HIS 125 120.016  21.038 -43.275
 1040    HD2  HIS 125           HD2      HIS 125 117.053  23.706 -42.059
 1041    HE1  HIS 125           HE1      HIS 125 120.612  23.281 -44.289
 1042    HE2  HIS 125           HE2      HIS 125 118.815  24.919 -43.557
  Start of MODEL   14
    1    H21  MYR   1          1H2       MYR   1 115.850   9.113  -0.024
    2    H22  MYR   1          2H2       MYR   1 115.149   9.721   1.313
    3    H31  MYR   1          1H3       MYR   1 113.472  10.734  -0.191
    4    H32  MYR   1          2H3       MYR   1 114.075   9.782  -1.366
    5    H41  MYR   1          1H4       MYR   1 113.081   7.987  -0.585
    6    H42  MYR   1          2H4       MYR   1 113.420   8.361   0.963
    7    H51  MYR   1          1H5       MYR   1 111.538  10.135   0.167
    8    H52  MYR   1          2H5       MYR   1 111.009   8.676  -0.337
    9    H61  MYR   1          1H6       MYR   1 111.751   9.311   2.382
   10    H62  MYR   1          2H6       MYR   1 110.217   9.142   1.858
   11    H71  MYR   1          1H7       MYR   1 111.584   6.831   1.331
   12    H72  MYR   1          2H7       MYR   1 111.795   7.216   2.901
   13    H81  MYR   1          1H8       MYR   1 109.333   7.343   3.026
   14    H82  MYR   1          2H8       MYR   1 109.329   6.564   1.594
   15    H91  MYR   1          1H9       MYR   1 110.576   4.767   2.706
   16    H92  MYR   1          2H9       MYR   1 110.231   5.504   4.116
   17   H101  MYR   1          1H10      MYR   1 107.847   5.295   3.415
   18   H102  MYR   1          2H10      MYR   1 108.389   4.193   2.344
   19   H111  MYR   1          1H11      MYR   1 109.429   3.164   4.457
   20   H112  MYR   1          2H11      MYR   1 108.193   3.936   5.179
   21   H121  MYR   1          1H12      MYR   1 106.859   2.304   4.622
   22   H122  MYR   1          2H12      MYR   1 107.129   2.621   3.048
   23   H131  MYR   1          1H13      MYR   1 108.525   0.920   2.814
   24   H132  MYR   1          2H13      MYR   1 109.172   1.118   4.294
   25   H141  MYR   1          1H14      MYR   1 106.579  -0.080   3.883
   26   H142  MYR   1          2H14      MYR   1 107.948  -0.954   4.067
   27   H143  MYR   1          3H14      MYR   1 107.405  -0.024   5.294
   28    H    GLY   2           HN       GLY   2 117.435   9.928  -0.637
   29    HA2  GLY   2           HA2      GLY   2 119.281  10.899   0.330
   30    HA3  GLY   2           HA1      GLY   2 118.375  12.407   0.265
   31    H    GLN   3           HN       GLN   3 118.606  13.317   2.218
   32    HA   GLN   3           HA       GLN   3 119.025  12.008   4.655
   33    HB2  GLN   3           HB2      GLN   3 119.461  14.412   4.287
   34    HB3  GLN   3           HB1      GLN   3 117.723  14.703   4.198
   35    HG2  GLN   3           HG2      GLN   3 117.416  13.964   6.480
   36    HG3  GLN   3           HG1      GLN   3 119.097  13.444   6.587
   37   HE21  GLN   3          HE21      GLN   3 118.262  15.276   8.490
   38   HE22  GLN   3          HE22      GLN   3 118.911  16.809   8.157
   39    H    GLU   4           HN       GLU   4 116.108  12.679   2.900
   40    HA   GLU   4           HA       GLU   4 114.124  12.587   4.795
   41    HB2  GLU   4           HB2      GLU   4 113.903  12.795   2.252
   42    HB3  GLU   4           HB1      GLU   4 113.940  11.032   2.220
   43    HG2  GLU   4           HG2      GLU   4 112.008  10.938   3.726
   44    HG3  GLU   4           HG1      GLU   4 111.994  12.698   3.824
   45    H    LEU   5           HN       LEU   5 116.349  10.139   3.977
   46    HA   LEU   5           HA       LEU   5 115.086   7.734   4.460
   47    HB2  LEU   5           HB2      LEU   5 117.489   7.951   3.870
   48    HB3  LEU   5           HB1      LEU   5 117.823   8.530   5.499
   49    HG   LEU   5           HG       LEU   5 116.946   6.388   6.422
   50   HD11  LEU   5          HD11      LEU   5 116.320   5.970   3.542
   51   HD12  LEU   5          HD12      LEU   5 115.471   5.398   4.976
   52   HD13  LEU   5          HD13      LEU   5 116.927   4.571   4.428
   53   HD21  LEU   5          HD21      LEU   5 119.145   6.181   4.347
   54   HD22  LEU   5          HD22      LEU   5 118.817   4.947   5.564
   55   HD23  LEU   5          HD23      LEU   5 119.333   6.559   6.060
   56    H    SER   6           HN       SER   6 116.014  10.202   6.783
   57    HA   SER   6           HA       SER   6 115.778   8.777   9.165
   58    HB2  SER   6           HB2      SER   6 115.309  10.935  10.221
   59    HB3  SER   6           HB1      SER   6 116.587  11.107   9.021
   60    HG   SER   6           HG       SER   6 115.131  12.005   7.618
   61    H    GLN   7           HN       GLN   7 113.297  10.150   7.069
   62    HA   GLN   7           HA       GLN   7 111.087   9.944   8.769
   63    HB2  GLN   7           HB2      GLN   7 111.306   9.642   5.773
   64    HB3  GLN   7           HB1      GLN   7 109.765   9.648   6.632
   65    HG2  GLN   7           HG2      GLN   7 110.306  11.859   7.587
   66    HG3  GLN   7           HG1      GLN   7 111.837  11.860   6.713
   67   HE21  GLN   7          HE21      GLN   7 110.596  13.960   5.862
   68   HE22  GLN   7          HE22      GLN   7 109.689  13.727   4.451
   69    H    HIS   8           HN       HIS   8 112.663   7.487   6.729
   70    HA   HIS   8           HA       HIS   8 110.768   5.448   7.007
   71    HB2  HIS   8           HB2      HIS   8 112.775   5.429   5.493
   72    HB3  HIS   8           HB1      HIS   8 113.776   5.112   6.910
   73    HD1  HIS   8           HD1      HIS   8 113.380   2.806   8.153
   74    HD2  HIS   8           HD2      HIS   8 111.336   3.213   4.544
   75    HE1  HIS   8           HE1      HIS   8 112.590   0.486   7.510
   76    HE2  HIS   8           HE2      HIS   8 111.337   0.719   5.316
   77    H    GLU   9           HN       GLU   9 113.646   6.196   8.982
   78    HA   GLU   9           HA       GLU   9 113.451   4.167  10.861
   79    HB2  GLU   9           HB2      GLU   9 114.222   7.063  11.292
   80    HB3  GLU   9           HB1      GLU   9 114.476   5.786  12.479
   81    HG2  GLU   9           HG2      GLU   9 115.871   4.548  10.889
   82    HG3  GLU   9           HG1      GLU   9 115.588   5.778   9.660
   83    H    ARG  10           HN       ARG  10 111.528   7.052  10.529
   84    HA   ARG  10           HA       ARG  10 110.157   6.734  13.074
   85    HB2  ARG  10           HB2      ARG  10 109.212   8.375  10.723
   86    HB3  ARG  10           HB1      ARG  10 108.774   8.561  12.419
   87    HG2  ARG  10           HG2      ARG  10 111.107   9.098  12.991
   88    HG3  ARG  10           HG1      ARG  10 111.564   8.919  11.299
   89    HD2  ARG  10           HD2      ARG  10 110.004  10.743  10.697
   90    HD3  ARG  10           HD1      ARG  10 109.598  10.940  12.401
   91    HE   ARG  10           HE       ARG  10 112.376  11.148  12.200
   92   HH11  ARG  10          HH11      ARG  10 113.353  13.198  12.088
   93   HH12  ARG  10          HH12      ARG  10 112.430  14.563  11.553
   94   HH21  ARG  10          HH21      ARG  10 109.524  12.738  11.055
   95   HH22  ARG  10          HH22      ARG  10 110.262  14.303  10.968
   96    H    TYR  11           HN       TYR  11 109.285   6.235   9.661
   97    HA   TYR  11           HA       TYR  11 106.704   5.292   9.991
   98    HB2  TYR  11           HB2      TYR  11 107.712   5.691   7.786
   99    HB3  TYR  11           HB1      TYR  11 108.761   4.291   8.009
  100    HD1  TYR  11           HD1      TYR  11 105.202   5.356   7.741
  101    HD2  TYR  11           HD2      TYR  11 107.976   2.080   7.589
  102    HE1  TYR  11           HE1      TYR  11 103.411   3.880   6.873
  103    HE2  TYR  11           HE2      TYR  11 106.186   0.604   6.720
  104    HH   TYR  11           HH       TYR  11 103.931   0.417   6.441
  105    H    VAL  12           HN       VAL  12 109.758   3.517  10.306
  106    HA   VAL  12           HA       VAL  12 108.637   0.932  10.628
  107    HB   VAL  12           HB       VAL  12 111.220   2.202  11.523
  108   HG11  VAL  12          HG11      VAL  12 111.771  -0.358  11.929
  109   HG12  VAL  12          HG12      VAL  12 110.043  -0.454  12.254
  110   HG13  VAL  12          HG13      VAL  12 111.062   0.618  13.215
  111   HG21  VAL  12          HG21      VAL  12 110.508   1.392   9.096
  112   HG22  VAL  12          HG22      VAL  12 110.913  -0.195   9.754
  113   HG23  VAL  12          HG23      VAL  12 112.131   1.080   9.710
  114    H    GLU  13           HN       GLU  13 109.668   3.304  13.081
  115    HA   GLU  13           HA       GLU  13 108.730   1.768  15.286
  116    HB2  GLU  13           HB2      GLU  13 109.329   4.720  15.029
  117    HB3  GLU  13           HB1      GLU  13 108.942   3.921  16.553
  118    HG2  GLU  13           HG2      GLU  13 110.857   2.432  16.310
  119    HG3  GLU  13           HG1      GLU  13 111.218   3.112  14.724
  120    H    GLN  14           HN       GLN  14 107.272   4.349  13.378
  121    HA   GLN  14           HA       GLN  14 104.933   4.654  14.963
  122    HB2  GLN  14           HB2      GLN  14 105.857   6.324  13.315
  123    HB3  GLN  14           HB1      GLN  14 105.294   5.264  12.020
  124    HG2  GLN  14           HG2      GLN  14 103.626   7.007  12.430
  125    HG3  GLN  14           HG1      GLN  14 102.973   5.444  12.950
  126   HE21  GLN  14          HE21      GLN  14 101.621   6.169  14.688
  127   HE22  GLN  14          HE22      GLN  14 102.225   6.984  16.050
  128    H    LEU  15           HN       LEU  15 105.071   3.497  11.627
  129    HA   LEU  15           HA       LEU  15 102.678   2.281  11.357
  130    HB2  LEU  15           HB2      LEU  15 104.795   2.255   9.771
  131    HB3  LEU  15           HB1      LEU  15 105.057   0.667  10.486
  132    HG   LEU  15           HG       LEU  15 103.758   0.433   8.422
  133   HD11  LEU  15          HD11      LEU  15 103.208  -0.908  10.566
  134   HD12  LEU  15          HD12      LEU  15 102.050  -0.937   9.237
  135   HD13  LEU  15          HD13      LEU  15 101.760   0.094  10.631
  136   HD21  LEU  15          HD21      LEU  15 101.356   1.808   9.448
  137   HD22  LEU  15          HD22      LEU  15 102.037   1.805   7.827
  138   HD23  LEU  15          HD23      LEU  15 102.689   2.889   9.053
  139    H    LYS  16           HN       LYS  16 105.514   0.743  12.886
  140    HA   LYS  16           HA       LYS  16 104.214  -1.659  13.589
  141    HB2  LYS  16           HB2      LYS  16 106.614  -0.234  14.724
  142    HB3  LYS  16           HB1      LYS  16 106.031  -1.751  15.398
  143    HG2  LYS  16           HG2      LYS  16 106.198  -2.795  13.155
  144    HG3  LYS  16           HG1      LYS  16 106.845  -1.282  12.527
  145    HD2  LYS  16           HD2      LYS  16 108.769  -1.420  13.953
  146    HD3  LYS  16           HD1      LYS  16 108.115  -2.822  14.798
  147    HE2  LYS  16           HE2      LYS  16 108.074  -3.894  12.397
  148    HE3  LYS  16           HE1      LYS  16 109.257  -2.640  12.027
  149    HZ1  LYS  16           HZ1      LYS  16 109.485  -4.955  13.764
  150    HZ2  LYS  16           HZ2      LYS  16 110.217  -3.531  14.325
  151    HZ3  LYS  16           HZ3      LYS  16 110.668  -4.187  12.824
  152    H    GLN  17           HN       GLN  17 104.531   1.420  15.307
  153    HA   GLN  17           HA       GLN  17 103.281   0.585  17.719
  154    HB2  GLN  17           HB2      GLN  17 103.742   3.249  16.425
  155    HB3  GLN  17           HB1      GLN  17 102.674   3.139  17.819
  156    HG2  GLN  17           HG2      GLN  17 104.416   2.192  19.176
  157    HG3  GLN  17           HG1      GLN  17 105.476   1.994  17.785
  158   HE21  GLN  17          HE21      GLN  17 106.761   3.407  19.602
  159   HE22  GLN  17          HE22      GLN  17 106.685   5.082  19.339
  160    H    ALA  18           HN       ALA  18 101.903   2.452  14.992
  161    HA   ALA  18           HA       ALA  18  99.236   2.413  15.768
  162    HB1  ALA  18           HB1      ALA  18  99.436   3.744  13.932
  163    HB2  ALA  18           HB2      ALA  18  98.996   2.267  13.074
  164    HB3  ALA  18           HB3      ALA  18 100.691   2.737  13.211
  165    H    LEU  19           HN       LEU  19 101.229  -0.127  14.831
  166    HA   LEU  19           HA       LEU  19  99.031  -1.881  14.007
  167    HB2  LEU  19           HB2      LEU  19 101.917  -1.941  13.714
  168    HB3  LEU  19           HB1      LEU  19 101.286  -3.491  14.273
  169    HG   LEU  19           HG       LEU  19 100.151  -1.955  11.921
  170   HD11  LEU  19          HD11      LEU  19 101.806  -2.783  10.666
  171   HD12  LEU  19          HD12      LEU  19 101.377  -4.417  11.169
  172   HD13  LEU  19          HD13      LEU  19 102.556  -3.489  12.097
  173   HD21  LEU  19          HD21      LEU  19  98.491  -3.475  12.015
  174   HD22  LEU  19          HD22      LEU  19  99.201  -4.153  13.478
  175   HD23  LEU  19          HD23      LEU  19  99.669  -4.782  11.897
  176    H    LYS  20           HN       LYS  20 101.500  -1.785  16.576
  177    HA   LYS  20           HA       LYS  20 100.907  -3.955  18.061
  178    HB2  LYS  20           HB2      LYS  20 102.599  -2.256  18.682
  179    HB3  LYS  20           HB1      LYS  20 101.302  -1.192  19.225
  180    HG2  LYS  20           HG2      LYS  20 100.603  -2.857  20.890
  181    HG3  LYS  20           HG1      LYS  20 101.854  -3.965  20.323
  182    HD2  LYS  20           HD2      LYS  20 103.587  -2.307  20.935
  183    HD3  LYS  20           HD1      LYS  20 102.328  -1.225  21.531
  184    HE2  LYS  20           HE2      LYS  20 102.770  -4.035  22.572
  185    HE3  LYS  20           HE1      LYS  20 103.423  -2.587  23.338
  186    HZ1  LYS  20           HZ1      LYS  20 100.572  -3.292  22.938
  187    HZ2  LYS  20           HZ2      LYS  20 101.087  -1.746  23.418
  188    HZ3  LYS  20           HZ3      LYS  20 101.393  -3.091  24.409
  189    H    THR  21           HN       THR  21  99.053  -0.956  18.012
  190    HA   THR  21           HA       THR  21  97.204  -1.607  20.042
  191    HB   THR  21           HB       THR  21  96.984   0.605  19.492
  192    HG1  THR  21           HG1      THR  21  94.963  -0.686  18.973
  193   HG21  THR  21          HG21      THR  21  98.425   0.962  17.724
  194   HG22  THR  21          HG22      THR  21  96.885   1.176  16.889
  195   HG23  THR  21          HG23      THR  21  97.739  -0.357  16.780
  196    H    ARG  22           HN       ARG  22  97.342  -2.463  16.631
  197    HA   ARG  22           HA       ARG  22  94.684  -3.458  16.416
  198    HB2  ARG  22           HB2      ARG  22  97.136  -4.242  14.818
  199    HB3  ARG  22           HB1      ARG  22  95.465  -4.561  14.368
  200    HG2  ARG  22           HG2      ARG  22  96.633  -1.790  14.771
  201    HG3  ARG  22           HG1      ARG  22  96.417  -2.555  13.194
  202    HD2  ARG  22           HD2      ARG  22  93.940  -2.842  13.926
  203    HD3  ARG  22           HD1      ARG  22  94.309  -1.621  15.140
  204    HE   ARG  22           HE       ARG  22  94.230  -1.226  12.246
  205   HH11  ARG  22          HH11      ARG  22  94.200   0.945  11.602
  206   HH12  ARG  22          HH12      ARG  22  94.517   2.192  12.762
  207   HH21  ARG  22          HH21      ARG  22  94.970  -0.010  15.402
  208   HH22  ARG  22          HH22      ARG  22  94.952   1.650  14.912
  209    H    GLY  23           HN       GLY  23  97.260  -4.546  18.223
  210    HA2  GLY  23           HA2      GLY  23  96.930  -6.428  19.730
  211    HA3  GLY  23           HA1      GLY  23  96.024  -7.227  18.450
  212    H    VAL  24           HN       VAL  24  98.934  -5.575  17.592
  213    HA   VAL  24           HA       VAL  24 100.236  -8.170  17.100
  214    HB   VAL  24           HB       VAL  24 100.950  -5.487  15.917
  215   HG11  VAL  24          HG11      VAL  24 102.785  -6.884  15.570
  216   HG12  VAL  24          HG12      VAL  24 101.836  -7.172  14.113
  217   HG13  VAL  24          HG13      VAL  24 101.793  -8.334  15.435
  218   HG21  VAL  24          HG21      VAL  24  99.092  -7.665  14.918
  219   HG22  VAL  24          HG22      VAL  24  99.738  -6.397  13.879
  220   HG23  VAL  24          HG23      VAL  24  98.684  -5.979  15.230
  221    H    LYS  25           HN       LYS  25 102.713  -8.027  17.163
  222    HA   LYS  25           HA       LYS  25 103.502  -6.537  19.581
  223    HB2  LYS  25           HB2      LYS  25 104.483  -9.178  18.493
  224    HB3  LYS  25           HB1      LYS  25 105.281  -8.310  19.805
  225    HG2  LYS  25           HG2      LYS  25 103.182  -8.370  21.113
  226    HG3  LYS  25           HG1      LYS  25 102.401  -9.264  19.808
  227    HD2  LYS  25           HD2      LYS  25 104.039 -11.087  20.062
  228    HD3  LYS  25           HD1      LYS  25 104.837 -10.193  21.358
  229    HE2  LYS  25           HE2      LYS  25 102.747 -10.252  22.679
  230    HE3  LYS  25           HE1      LYS  25 101.966 -11.169  21.392
  231    HZ1  LYS  25           HZ1      LYS  25 103.421 -12.190  23.484
  232    HZ2  LYS  25           HZ2      LYS  25 104.445 -12.341  22.137
  233    HZ3  LYS  25           HZ3      LYS  25 102.894 -13.033  22.111
  234    H    VAL  26           HN       VAL  26 105.571  -5.572  19.648
  235    HA   VAL  26           HA       VAL  26 106.891  -5.238  17.020
  236    HB   VAL  26           HB       VAL  26 107.219  -2.872  17.501
  237   HG11  VAL  26          HG11      VAL  26 104.343  -3.690  18.014
  238   HG12  VAL  26          HG12      VAL  26 105.096  -3.603  16.424
  239   HG13  VAL  26          HG13      VAL  26 104.887  -2.136  17.386
  240   HG21  VAL  26          HG21      VAL  26 105.595  -2.241  19.634
  241   HG22  VAL  26          HG22      VAL  26 107.348  -2.397  19.739
  242   HG23  VAL  26          HG23      VAL  26 106.314  -3.755  20.180
  243    H    LYS  27           HN       LYS  27 108.463  -6.767  17.604
  244    HA   LYS  27           HA       LYS  27 110.249  -5.995  19.841
  245    HB2  LYS  27           HB2      LYS  27 109.120  -8.372  19.656
  246    HB3  LYS  27           HB1      LYS  27 110.420  -8.665  18.499
  247    HG2  LYS  27           HG2      LYS  27 111.892  -7.580  20.439
  248    HG3  LYS  27           HG1      LYS  27 110.564  -8.154  21.440
  249    HD2  LYS  27           HD2      LYS  27 112.172  -9.846  19.502
  250    HD3  LYS  27           HD1      LYS  27 112.324  -9.864  21.262
  251    HE2  LYS  27           HE2      LYS  27 109.874 -10.463  21.383
  252    HE3  LYS  27           HE1      LYS  27 109.904 -10.664  19.630
  253    HZ1  LYS  27           HZ1      LYS  27 111.649 -12.313  19.885
  254    HZ2  LYS  27           HZ2      LYS  27 110.264 -12.763  20.761
  255    HZ3  LYS  27           HZ3      LYS  27 111.614 -12.122  21.571
  256    H    TYR  28           HN       TYR  28 112.600  -6.412  19.449
  257    HA   TYR  28           HA       TYR  28 113.534  -5.048  17.197
  258    HB2  TYR  28           HB2      TYR  28 114.971  -7.011  18.995
  259    HB3  TYR  28           HB1      TYR  28 115.760  -5.917  17.857
  260    HD1  TYR  28           HD1      TYR  28 115.863  -3.525  18.266
  261    HD2  TYR  28           HD2      TYR  28 113.808  -6.141  20.984
  262    HE1  TYR  28           HE1      TYR  28 115.769  -1.704  19.947
  263    HE2  TYR  28           HE2      TYR  28 113.714  -4.320  22.665
  264    HH   TYR  28           HH       TYR  28 115.411  -1.282  22.181
  265    H    ALA  29           HN       ALA  29 113.028  -8.477  17.793
  266    HA   ALA  29           HA       ALA  29 114.360  -9.539  15.567
  267    HB1  ALA  29           HB1      ALA  29 113.618 -11.015  17.313
  268    HB2  ALA  29           HB2      ALA  29 112.779 -11.474  15.831
  269    HB3  ALA  29           HB3      ALA  29 111.937 -10.545  17.071
  270    H    ASP  30           HN       ASP  30 111.408  -7.774  15.808
  271    HA   ASP  30           HA       ASP  30 110.192  -8.719  13.380
  272    HB2  ASP  30           HB2      ASP  30 109.720  -6.211  14.995
  273    HB3  ASP  30           HB1      ASP  30 108.767  -6.668  13.596
  274    H    LEU  31           HN       LEU  31 112.177  -5.907  14.231
  275    HA   LEU  31           HA       LEU  31 112.069  -4.641  11.695
  276    HB2  LEU  31           HB2      LEU  31 114.085  -4.609  13.951
  277    HB3  LEU  31           HB1      LEU  31 114.367  -3.709  12.463
  278    HG   LEU  31           HG       LEU  31 111.875  -2.851  12.962
  279   HD11  LEU  31          HD11      LEU  31 113.042  -3.353  15.712
  280   HD12  LEU  31          HD12      LEU  31 111.760  -4.335  15.005
  281   HD13  LEU  31          HD13      LEU  31 111.482  -2.629  15.347
  282   HD21  LEU  31          HD21      LEU  31 112.900  -0.910  14.108
  283   HD22  LEU  31          HD22      LEU  31 113.861  -1.423  12.721
  284   HD23  LEU  31          HD23      LEU  31 114.375  -1.846  14.354
  285    H    LEU  32           HN       LEU  32 114.271  -7.116  12.987
  286    HA   LEU  32           HA       LEU  32 116.140  -7.135  10.932
  287    HB2  LEU  32           HB2      LEU  32 115.007  -9.583  12.288
  288    HB3  LEU  32           HB1      LEU  32 116.608  -9.420  11.559
  289    HG   LEU  32           HG       LEU  32 115.593  -7.817  13.941
  290   HD11  LEU  32          HD11      LEU  32 116.676  -9.300  15.305
  291   HD12  LEU  32          HD12      LEU  32 117.947  -9.620  14.126
  292   HD13  LEU  32          HD13      LEU  32 116.383 -10.418  13.974
  293   HD21  LEU  32          HD21      LEU  32 118.091  -7.747  12.254
  294   HD22  LEU  32          HD22      LEU  32 118.199  -7.351  13.969
  295   HD23  LEU  32          HD23      LEU  32 117.153  -6.404  12.910
  296    H    LYS  33           HN       LYS  33 113.181  -9.112  11.117
  297    HA   LYS  33           HA       LYS  33 113.480 -10.145   8.482
  298    HB2  LYS  33           HB2      LYS  33 112.230 -11.326  10.263
  299    HB3  LYS  33           HB1      LYS  33 110.996 -10.068  10.206
  300    HG2  LYS  33           HG2      LYS  33 110.514 -10.598   7.866
  301    HG3  LYS  33           HG1      LYS  33 111.807 -11.797   7.850
  302    HD2  LYS  33           HD2      LYS  33 110.632 -13.078   9.606
  303    HD3  LYS  33           HD1      LYS  33 109.333 -11.885   9.600
  304    HE2  LYS  33           HE2      LYS  33 108.848 -12.388   7.251
  305    HE3  LYS  33           HE1      LYS  33 110.182 -13.542   7.206
  306    HZ1  LYS  33           HZ1      LYS  33 108.679 -15.038   7.833
  307    HZ2  LYS  33           HZ2      LYS  33 107.532 -13.856   8.250
  308    HZ3  LYS  33           HZ3      LYS  33 108.728 -14.315   9.366
  309    H    PHE  34           HN       PHE  34 111.194  -7.760   9.833
  310    HA   PHE  34           HA       PHE  34 109.900  -7.198   7.398
  311    HB2  PHE  34           HB2      PHE  34 109.857  -6.164  10.070
  312    HB3  PHE  34           HB1      PHE  34 109.874  -4.827   8.934
  313    HD1  PHE  34           HD1      PHE  34 108.330  -5.275   6.774
  314    HD2  PHE  34           HD2      PHE  34 107.761  -7.020  10.658
  315    HE1  PHE  34           HE1      PHE  34 105.930  -5.635   6.261
  316    HE2  PHE  34           HE2      PHE  34 105.362  -7.380  10.145
  317    HZ   PHE  34           HZ       PHE  34 104.448  -6.688   7.946
  318    H    PHE  35           HN       PHE  35 112.773  -5.788   8.837
  319    HA   PHE  35           HA       PHE  35 112.987  -3.626   6.959
  320    HB2  PHE  35           HB2      PHE  35 113.995  -3.779   9.302
  321    HB3  PHE  35           HB1      PHE  35 115.260  -4.779   8.583
  322    HD1  PHE  35           HD1      PHE  35 116.435  -3.762   6.460
  323    HD2  PHE  35           HD2      PHE  35 114.107  -1.477   9.263
  324    HE1  PHE  35           HE1      PHE  35 117.518  -1.682   5.657
  325    HE2  PHE  35           HE2      PHE  35 115.194   0.606   8.452
  326    HZ   PHE  35           HZ       PHE  35 116.897   0.503   6.653
  327    H    ASP  36           HN       ASP  36 114.638  -6.775   7.341
  328    HA   ASP  36           HA       ASP  36 116.154  -6.464   4.901
  329    HB2  ASP  36           HB2      ASP  36 115.704  -8.840   6.716
  330    HB3  ASP  36           HB1      ASP  36 116.763  -8.867   5.308
  331    H    PHE  37           HN       PHE  37 113.043  -7.712   5.738
  332    HA   PHE  37           HA       PHE  37 112.634  -9.523   3.619
  333    HB2  PHE  37           HB2      PHE  37 111.061  -9.621   5.366
  334    HB3  PHE  37           HB1      PHE  37 110.767  -7.880   5.318
  335    HD1  PHE  37           HD1      PHE  37 110.766 -10.718   2.862
  336    HD2  PHE  37           HD2      PHE  37 108.689  -7.299   4.428
  337    HE1  PHE  37           HE1      PHE  37 108.918 -11.101   1.257
  338    HE2  PHE  37           HE2      PHE  37 106.842  -7.688   2.823
  339    HZ   PHE  37           HZ       PHE  37 106.953  -9.591   1.240
  340    H    VAL  38           HN       VAL  38 111.726  -6.086   3.931
  341    HA   VAL  38           HA       VAL  38 110.843  -5.947   1.186
  342    HB   VAL  38           HB       VAL  38 110.872  -3.436   1.647
  343   HG11  VAL  38          HG11      VAL  38 109.315  -5.106   3.641
  344   HG12  VAL  38          HG12      VAL  38 108.883  -4.981   1.934
  345   HG13  VAL  38          HG13      VAL  38 108.856  -3.547   2.959
  346   HG21  VAL  38          HG21      VAL  38 111.854  -2.668   3.521
  347   HG22  VAL  38          HG22      VAL  38 112.441  -4.300   3.829
  348   HG23  VAL  38          HG23      VAL  38 110.907  -3.771   4.516
  349    H    LYS  39           HN       LYS  39 113.818  -5.269   2.913
  350    HA   LYS  39           HA       LYS  39 115.156  -3.736   0.968
  351    HB2  LYS  39           HB2      LYS  39 115.900  -4.309   3.357
  352    HB3  LYS  39           HB1      LYS  39 116.520  -5.814   2.679
  353    HG2  LYS  39           HG2      LYS  39 117.940  -4.571   1.130
  354    HG3  LYS  39           HG1      LYS  39 117.265  -3.043   1.699
  355    HD2  LYS  39           HD2      LYS  39 118.139  -3.483   3.956
  356    HD3  LYS  39           HD1      LYS  39 118.802  -5.022   3.406
  357    HE2  LYS  39           HE2      LYS  39 120.212  -3.813   1.766
  358    HE3  LYS  39           HE1      LYS  39 119.573  -2.281   2.361
  359    HZ1  LYS  39           HZ1      LYS  39 120.525  -3.936   4.480
  360    HZ2  LYS  39           HZ2      LYS  39 120.937  -2.333   4.094
  361    HZ3  LYS  39           HZ3      LYS  39 121.744  -3.626   3.342
  362    H    ASP  40           HN       ASP  40 114.514  -7.177   1.134
  363    HA   ASP  40           HA       ASP  40 116.389  -8.265  -0.542
  364    HB2  ASP  40           HB2      ASP  40 114.576  -9.556   0.523
  365    HB3  ASP  40           HB1      ASP  40 113.416  -8.838  -0.592
  366    H    THR  41           HN       THR  41 113.262  -6.922  -1.664
  367    HA   THR  41           HA       THR  41 114.526  -6.427  -4.296
  368    HB   THR  41           HB       THR  41 112.267  -6.606  -5.250
  369    HG1  THR  41           HG1      THR  41 110.865  -6.110  -3.716
  370   HG21  THR  41          HG21      THR  41 111.968  -9.114  -4.159
  371   HG22  THR  41          HG22      THR  41 113.664  -8.764  -3.827
  372   HG23  THR  41          HG23      THR  41 113.062  -8.714  -5.483
  373    H    CYS  42           HN       CYS  42 113.470  -4.926  -1.541
  374    HA   CYS  42           HA       CYS  42 112.686  -2.812  -1.018
  375    HB2  CYS  42           HB2      CYS  42 114.310  -1.845  -3.349
  376    HB3  CYS  42           HB1      CYS  42 114.128  -1.137  -1.742
  377    HG   CYS  42           HG       CYS  42 115.718  -2.901  -0.772
  378    HA   PRO  43           HA       PRO  43 109.625  -2.838  -4.590
  379    HB2  PRO  43           HB2      PRO  43 107.706  -3.040  -2.338
  380    HB3  PRO  43           HB1      PRO  43 107.777  -3.970  -3.847
  381    HG2  PRO  43           HG2      PRO  43 108.451  -5.064  -1.533
  382    HG3  PRO  43           HG1      PRO  43 109.336  -5.444  -3.018
  383    HD2  PRO  43           HD2      PRO  43 110.128  -3.585  -0.782
  384    HD3  PRO  43           HD1      PRO  43 111.118  -4.759  -1.675
  385    H    TRP  44           HN       TRP  44 109.807  -1.186  -1.501
  386    HA   TRP  44           HA       TRP  44 107.967   0.900  -2.060
  387    HB2  TRP  44           HB2      TRP  44 110.024   0.319  -0.017
  388    HB3  TRP  44           HB1      TRP  44 109.644   2.023  -0.249
  389    HD1  TRP  44           HD1      TRP  44 107.438   2.899   0.731
  390    HE1  TRP  44           HE1      TRP  44 105.437   1.816   1.942
  391    HE3  TRP  44           HE3      TRP  44 108.568  -2.036   0.064
  392    HZ2  TRP  44           HZ2      TRP  44 104.446  -0.799   2.549
  393    HZ3  TRP  44           HZ3      TRP  44 107.081  -3.799   0.967
  394    HH2  TRP  44           HH2      TRP  44 105.022  -3.187   2.209
  395    H    PHE  45           HN       PHE  45 110.071   0.328  -4.151
  396    HA   PHE  45           HA       PHE  45 111.552   1.456  -5.502
  397    HB2  PHE  45           HB2      PHE  45 109.400   3.459  -4.912
  398    HB3  PHE  45           HB1      PHE  45 110.694   3.774  -6.071
  399    HD1  PHE  45           HD1      PHE  45 111.140   1.865  -7.833
  400    HD2  PHE  45           HD2      PHE  45 107.475   2.341  -5.643
  401    HE1  PHE  45           HE1      PHE  45 109.947   0.514  -9.536
  402    HE2  PHE  45           HE2      PHE  45 106.282   0.990  -7.346
  403    HZ   PHE  45           HZ       PHE  45 107.518   0.077  -9.293
  404    HA   PRO  46           HA       PRO  46 113.861   3.240  -1.870
  405    HB2  PRO  46           HB2      PRO  46 116.329   2.643  -3.036
  406    HB3  PRO  46           HB1      PRO  46 115.473   1.647  -1.846
  407    HG2  PRO  46           HG2      PRO  46 115.591   1.388  -4.798
  408    HG3  PRO  46           HG1      PRO  46 115.549   0.134  -3.549
  409    HD2  PRO  46           HD2      PRO  46 113.385   0.711  -5.009
  410    HD3  PRO  46           HD1      PRO  46 113.230   0.286  -3.296
  411    H    GLN  47           HN       GLN  47 113.498   4.020  -5.119
  412    HA   GLN  47           HA       GLN  47 115.479   6.151  -5.183
  413    HB2  GLN  47           HB2      GLN  47 113.200   5.548  -7.084
  414    HB3  GLN  47           HB1      GLN  47 114.561   6.628  -7.391
  415    HG2  GLN  47           HG2      GLN  47 114.815   3.663  -6.811
  416    HG3  GLN  47           HG1      GLN  47 114.892   4.381  -8.418
  417   HE21  GLN  47          HE21      GLN  47 116.984   3.028  -6.469
  418   HE22  GLN  47          HE22      GLN  47 118.305   4.090  -6.566
  419    H    GLU  48           HN       GLU  48 111.923   6.006  -5.383
  420    HA   GLU  48           HA       GLU  48 111.747   8.833  -4.573
  421    HB2  GLU  48           HB2      GLU  48 109.185   8.126  -4.854
  422    HB3  GLU  48           HB1      GLU  48 110.185   8.572  -6.226
  423    HG2  GLU  48           HG2      GLU  48 110.688   6.209  -6.663
  424    HG3  GLU  48           HG1      GLU  48 109.757   5.741  -5.238
  425    H    GLY  49           HN       GLY  49 111.366   5.642  -3.289
  426    HA2  GLY  49           HA2      GLY  49 110.861   4.871  -1.179
  427    HA3  GLY  49           HA1      GLY  49 111.207   6.498  -0.608
  428    H    THR  50           HN       THR  50 108.697   4.508  -2.122
  429    HA   THR  50           HA       THR  50 106.667   5.942  -0.581
  430    HB   THR  50           HB       THR  50 106.771   7.086  -2.768
  431    HG1  THR  50           HG1      THR  50 104.496   5.443  -2.392
  432   HG21  THR  50          HG21      THR  50 106.148   5.843  -4.796
  433   HG22  THR  50          HG22      THR  50 106.050   4.346  -3.872
  434   HG23  THR  50          HG23      THR  50 107.611   5.157  -4.083
  435    H    ILE  51           HN       ILE  51 104.474   4.863  -0.901
  436    HA   ILE  51           HA       ILE  51 104.898   1.960  -0.768
  437    HB   ILE  51           HB       ILE  51 102.299   3.273  -0.089
  438   HG12  ILE  51          HG12      ILE  51 104.890   3.519   1.412
  439   HG13  ILE  51          HG11      ILE  51 103.642   4.736   1.133
  440   HG21  ILE  51          HG21      ILE  51 102.931   0.731  -0.055
  441   HG22  ILE  51          HG22      ILE  51 102.035   1.407   1.303
  442   HG23  ILE  51          HG23      ILE  51 103.767   1.141   1.440
  443   HD11  ILE  51          HD11      ILE  51 102.125   3.213   2.550
  444   HD12  ILE  51          HD12      ILE  51 103.352   4.158   3.386
  445   HD13  ILE  51          HD13      ILE  51 103.621   2.443   3.077
  446    H    ASP  52           HN       ASP  52 103.823   0.539  -2.117
  447    HA   ASP  52           HA       ASP  52 102.008   1.686  -4.144
  448    HB2  ASP  52           HB2      ASP  52 104.274   1.434  -5.128
  449    HB3  ASP  52           HB1      ASP  52 104.242  -0.273  -4.695
  450    H    ILE  53           HN       ILE  53 100.160   0.624  -4.145
  451    HA   ILE  53           HA       ILE  53  99.754  -1.784  -2.662
  452    HB   ILE  53           HB       ILE  53  97.907  -0.537  -4.708
  453   HG12  ILE  53          HG12      ILE  53  98.574   1.167  -3.094
  454   HG13  ILE  53          HG11      ILE  53  96.933   0.653  -2.709
  455   HG21  ILE  53          HG21      ILE  53  97.384  -2.267  -2.263
  456   HG22  ILE  53          HG22      ILE  53  97.331  -2.831  -3.934
  457   HG23  ILE  53          HG23      ILE  53  96.158  -1.643  -3.370
  458   HD11  ILE  53          HD11      ILE  53  98.154  -1.064  -1.110
  459   HD12  ILE  53          HD12      ILE  53  97.974   0.610  -0.601
  460   HD13  ILE  53          HD13      ILE  53  99.509   0.052  -1.264
  461    H    LYS  54           HN       LYS  54 100.052  -1.064  -6.104
  462    HA   LYS  54           HA       LYS  54  99.383  -3.655  -7.054
  463    HB2  LYS  54           HB2      LYS  54 101.235  -1.637  -8.341
  464    HB3  LYS  54           HB1      LYS  54 100.342  -2.923  -9.150
  465    HG2  LYS  54           HG2      LYS  54  99.066  -0.619  -7.646
  466    HG3  LYS  54           HG1      LYS  54  99.244  -0.698  -9.398
  467    HD2  LYS  54           HD2      LYS  54  97.984  -2.954  -9.226
  468    HD3  LYS  54           HD1      LYS  54  97.535  -2.423  -7.605
  469    HE2  LYS  54           HE2      LYS  54  96.497  -0.411  -8.494
  470    HE3  LYS  54           HE1      LYS  54  97.029  -0.821 -10.126
  471    HZ1  LYS  54           HZ1      LYS  54  94.943  -2.073  -8.484
  472    HZ2  LYS  54           HZ2      LYS  54  95.765  -3.017  -9.633
  473    HZ3  LYS  54           HZ3      LYS  54  94.906  -1.635 -10.122
  474    H    ARG  55           HN       ARG  55 102.557  -2.106  -6.532
  475    HA   ARG  55           HA       ARG  55 104.054  -4.446  -7.139
  476    HB2  ARG  55           HB2      ARG  55 104.772  -1.898  -6.966
  477    HB3  ARG  55           HB1      ARG  55 105.155  -2.364  -5.307
  478    HG2  ARG  55           HG2      ARG  55 106.564  -4.205  -6.130
  479    HG3  ARG  55           HG1      ARG  55 106.177  -3.766  -7.796
  480    HD2  ARG  55           HD2      ARG  55 107.147  -1.500  -7.370
  481    HD3  ARG  55           HD1      ARG  55 107.633  -2.054  -5.775
  482    HE   ARG  55           HE       ARG  55 109.307  -3.363  -6.765
  483   HH11  ARG  55          HH11      ARG  55 110.643  -3.855  -8.532
  484   HH12  ARG  55          HH12      ARG  55 110.161  -3.393 -10.131
  485   HH21  ARG  55          HH21      ARG  55 107.190  -1.933  -9.101
  486   HH22  ARG  55          HH22      ARG  55 108.207  -2.305 -10.451
  487    H    TRP  56           HN       TRP  56 102.824  -3.040  -4.139
  488    HA   TRP  56           HA       TRP  56 104.161  -4.654  -2.314
  489    HB2  TRP  56           HB2      TRP  56 102.952  -2.805  -1.467
  490    HB3  TRP  56           HB1      TRP  56 101.445  -3.363  -2.197
  491    HD1  TRP  56           HD1      TRP  56  99.896  -4.435  -0.522
  492    HE1  TRP  56           HE1      TRP  56 100.159  -5.788   1.651
  493    HE3  TRP  56           HE3      TRP  56 104.992  -4.620  -0.199
  494    HZ2  TRP  56           HZ2      TRP  56 102.253  -6.819   3.312
  495    HZ3  TRP  56           HZ3      TRP  56 106.090  -5.794   1.679
  496    HH2  TRP  56           HH2      TRP  56 104.731  -6.896   3.430
  497    H    ARG  57           HN       ARG  57 101.301  -5.260  -4.253
  498    HA   ARG  57           HA       ARG  57 100.536  -7.689  -2.970
  499    HB2  ARG  57           HB2      ARG  57  98.989  -6.394  -4.403
  500    HB3  ARG  57           HB1      ARG  57  99.984  -6.786  -5.807
  501    HG2  ARG  57           HG2      ARG  57  99.563  -9.179  -5.463
  502    HG3  ARG  57           HG1      ARG  57  98.623  -8.818  -4.015
  503    HD2  ARG  57           HD2      ARG  57  97.952  -7.789  -6.783
  504    HD3  ARG  57           HD1      ARG  57  97.202  -9.199  -6.040
  505    HE   ARG  57           HE       ARG  57  96.714  -6.416  -5.359
  506   HH11  ARG  57          HH11      ARG  57  95.042  -6.084  -3.857
  507   HH12  ARG  57          HH12      ARG  57  94.416  -7.424  -2.957
  508   HH21  ARG  57          HH21      ARG  57  96.534  -9.742  -4.428
  509   HH22  ARG  57          HH22      ARG  57  95.261  -9.496  -3.280
  510    H    ARG  58           HN       ARG  58 102.593  -6.934  -5.774
  511    HA   ARG  58           HA       ARG  58 103.054  -9.576  -6.630
  512    HB2  ARG  58           HB2      ARG  58 104.701  -7.062  -6.826
  513    HB3  ARG  58           HB1      ARG  58 105.234  -8.587  -7.531
  514    HG2  ARG  58           HG2      ARG  58 103.197  -8.708  -8.882
  515    HG3  ARG  58           HG1      ARG  58 102.581  -7.239  -8.124
  516    HD2  ARG  58           HD2      ARG  58 103.569  -6.706 -10.303
  517    HD3  ARG  58           HD1      ARG  58 104.522  -5.983  -9.012
  518    HE   ARG  58           HE       ARG  58 106.268  -7.458  -9.520
  519   HH11  ARG  58          HH11      ARG  58 107.275  -8.941 -10.913
  520   HH12  ARG  58          HH12      ARG  58 106.336  -9.777 -12.105
  521   HH21  ARG  58          HH21      ARG  58 103.353  -8.257 -11.205
  522   HH22  ARG  58          HH22      ARG  58 104.116  -9.389 -12.271
  523    H    VAL  59           HN       VAL  59 104.986  -7.550  -4.421
  524    HA   VAL  59           HA       VAL  59 106.931  -9.545  -3.832
  525    HB   VAL  59           HB       VAL  59 107.420  -7.222  -3.351
  526   HG11  VAL  59          HG11      VAL  59 105.025  -6.623  -2.913
  527   HG12  VAL  59          HG12      VAL  59 106.161  -5.911  -1.776
  528   HG13  VAL  59          HG13      VAL  59 105.194  -7.310  -1.303
  529   HG21  VAL  59          HG21      VAL  59 107.925  -9.261  -1.611
  530   HG22  VAL  59          HG22      VAL  59 107.097  -8.112  -0.554
  531   HG23  VAL  59          HG23      VAL  59 108.555  -7.623  -1.424
  532    H    GLY  60           HN       GLY  60 103.867  -8.646  -2.295
  533    HA2  GLY  60           HA2      GLY  60 104.088 -10.327  -0.034
  534    HA3  GLY  60           HA1      GLY  60 102.589  -9.691  -0.698
  535    H    ASP  61           HN       ASP  61 102.299 -10.841  -3.095
  536    HA   ASP  61           HA       ASP  61 101.545 -13.503  -2.455
  537    HB2  ASP  61           HB2      ASP  61 100.889 -13.666  -4.827
  538    HB3  ASP  61           HB1      ASP  61 100.296 -12.181  -4.087
  539    H    CYS  62           HN       CYS  62 104.391 -12.097  -3.852
  540    HA   CYS  62           HA       CYS  62 105.421 -14.371  -5.183
  541    HB2  CYS  62           HB2      CYS  62 106.590 -11.831  -4.119
  542    HB3  CYS  62           HB1      CYS  62 107.671 -13.120  -4.645
  543    HG   CYS  62           HG       CYS  62 107.187 -12.469  -6.978
  544    H    PHE  63           HN       PHE  63 105.757 -13.200  -1.848
  545    HA   PHE  63           HA       PHE  63 107.560 -15.353  -1.145
  546    HB2  PHE  63           HB2      PHE  63 106.350 -13.016   0.275
  547    HB3  PHE  63           HB1      PHE  63 107.005 -14.354   1.222
  548    HD1  PHE  63           HD1      PHE  63 107.911 -12.248  -1.752
  549    HD2  PHE  63           HD2      PHE  63 109.274 -14.290   1.772
  550    HE1  PHE  63           HE1      PHE  63 110.205 -11.388  -2.141
  551    HE2  PHE  63           HE2      PHE  63 111.566 -13.432   1.384
  552    HZ   PHE  63           HZ       PHE  63 112.033 -11.981  -0.573
  553    H    GLN  64           HN       GLN  64 104.148 -14.557  -0.777
  554    HA   GLN  64           HA       GLN  64 103.505 -16.615   1.056
  555    HB2  GLN  64           HB2      GLN  64 102.015 -14.696   0.620
  556    HB3  GLN  64           HB1      GLN  64 101.736 -15.300  -1.011
  557    HG2  GLN  64           HG2      GLN  64 100.723 -17.331  -0.151
  558    HG3  GLN  64           HG1      GLN  64 101.127 -16.873   1.503
  559   HE21  GLN  64          HE21      GLN  64  98.407 -17.353   0.557
  560   HE22  GLN  64          HE22      GLN  64  97.564 -15.886   0.694
  561    H    ASP  65           HN       ASP  65 103.449 -16.469  -2.477
  562    HA   ASP  65           HA       ASP  65 102.355 -19.039  -2.899
  563    HB2  ASP  65           HB2      ASP  65 102.420 -17.425  -4.691
  564    HB3  ASP  65           HB1      ASP  65 104.179 -17.337  -4.594
  565    H    TYR  66           HN       TYR  66 105.744 -17.909  -2.892
  566    HA   TYR  66           HA       TYR  66 106.884 -20.471  -3.286
  567    HB2  TYR  66           HB2      TYR  66 108.148 -18.422  -3.697
  568    HB3  TYR  66           HB1      TYR  66 108.066 -18.008  -1.985
  569    HD1  TYR  66           HD1      TYR  66 109.903 -18.580  -0.658
  570    HD2  TYR  66           HD2      TYR  66 109.022 -20.922  -4.151
  571    HE1  TYR  66           HE1      TYR  66 111.922 -19.957  -0.245
  572    HE2  TYR  66           HE2      TYR  66 111.044 -22.297  -3.738
  573    HH   TYR  66           HH       TYR  66 112.730 -22.251  -0.812
  574    H    TYR  67           HN       TYR  67 106.098 -18.637  -0.366
  575    HA   TYR  67           HA       TYR  67 107.266 -20.460   1.472
  576    HB2  TYR  67           HB2      TYR  67 106.764 -18.157   2.113
  577    HB3  TYR  67           HB1      TYR  67 105.047 -18.441   1.868
  578    HD1  TYR  67           HD1      TYR  67 107.935 -20.032   3.671
  579    HD2  TYR  67           HD2      TYR  67 103.787 -18.917   3.767
  580    HE1  TYR  67           HE1      TYR  67 107.754 -20.900   5.987
  581    HE2  TYR  67           HE2      TYR  67 103.609 -19.789   6.078
  582    HH   TYR  67           HH       TYR  67 106.029 -20.271   8.054
  583    H    ASN  68           HN       ASN  68 104.079 -20.193   0.002
  584    HA   ASN  68           HA       ASN  68 102.714 -22.028   1.643
  585    HB2  ASN  68           HB2      ASN  68 102.285 -21.018  -1.154
  586    HB3  ASN  68           HB1      ASN  68 101.246 -22.271  -0.480
  587   HD21  ASN  68          HD21      ASN  68 102.566 -19.972   1.785
  588   HD22  ASN  68          HD22      ASN  68 101.144 -19.072   2.004
  589    H    THR  69           HN       THR  69 104.611 -22.473  -1.317
  590    HA   THR  69           HA       THR  69 103.988 -25.100  -1.943
  591    HB   THR  69           HB       THR  69 106.248 -25.253  -2.938
  592    HG1  THR  69           HG1      THR  69 107.570 -24.255  -1.552
  593   HG21  THR  69          HG21      THR  69 104.234 -23.370  -3.517
  594   HG22  THR  69          HG22      THR  69 105.488 -23.957  -4.609
  595   HG23  THR  69          HG23      THR  69 105.758 -22.495  -3.662
  596    H    PHE  70           HN       PHE  70 105.606 -23.918   0.834
  597    HA   PHE  70           HA       PHE  70 106.774 -26.509   1.462
  598    HB2  PHE  70           HB2      PHE  70 106.753 -23.873   2.947
  599    HB3  PHE  70           HB1      PHE  70 107.530 -25.335   3.556
  600    HD1  PHE  70           HD1      PHE  70 107.624 -22.707   0.980
  601    HD2  PHE  70           HD2      PHE  70 109.535 -26.240   2.498
  602    HE1  PHE  70           HE1      PHE  70 109.626 -22.216  -0.402
  603    HE2  PHE  70           HE2      PHE  70 111.537 -25.750   1.117
  604    HZ   PHE  70           HZ       PHE  70 111.582 -23.738  -0.332
  605    H    GLY  71           HN       GLY  71 103.764 -25.710   1.371
  606    HA2  GLY  71           HA2      GLY  71 101.848 -26.045   2.634
  607    HA3  GLY  71           HA1      GLY  71 102.655 -27.564   3.011
  608    HA   PRO  72           HA       PRO  72 103.859 -24.803   6.691
  609    HB2  PRO  72           HB2      PRO  72 103.339 -22.135   6.627
  610    HB3  PRO  72           HB1      PRO  72 104.798 -22.847   5.913
  611    HG2  PRO  72           HG2      PRO  72 102.329 -21.872   4.591
  612    HG3  PRO  72           HG1      PRO  72 104.005 -21.842   4.027
  613    HD2  PRO  72           HD2      PRO  72 102.088 -23.683   3.203
  614    HD3  PRO  72           HD1      PRO  72 103.843 -23.875   3.045
  615    H    GLU  73           HN       GLU  73 102.638 -24.987   8.482
  616    HA   GLU  73           HA       GLU  73  99.748 -24.716   8.277
  617    HB2  GLU  73           HB2      GLU  73 101.597 -25.762  10.421
  618    HB3  GLU  73           HB1      GLU  73  99.857 -25.609  10.653
  619    HG2  GLU  73           HG2      GLU  73 101.113 -27.133   8.356
  620    HG3  GLU  73           HG1      GLU  73 100.603 -27.892   9.863
  621    H    LYS  74           HN       LYS  74 102.437 -23.214   9.976
  622    HA   LYS  74           HA       LYS  74 100.967 -21.619  11.753
  623    HB2  LYS  74           HB2      LYS  74 103.696 -21.361  10.517
  624    HB3  LYS  74           HB1      LYS  74 103.061 -20.083  11.545
  625    HG2  LYS  74           HG2      LYS  74 104.429 -21.713  12.826
  626    HG3  LYS  74           HG1      LYS  74 102.759 -21.696  13.393
  627    HD2  LYS  74           HD2      LYS  74 102.246 -23.713  12.218
  628    HD3  LYS  74           HD1      LYS  74 103.754 -23.640  11.306
  629    HE2  LYS  74           HE2      LYS  74 105.055 -24.080  13.290
  630    HE3  LYS  74           HE1      LYS  74 103.632 -23.917  14.320
  631    HZ1  LYS  74           HZ1      LYS  74 103.779 -25.933  12.163
  632    HZ2  LYS  74           HZ2      LYS  74 102.720 -25.882  13.490
  633    HZ3  LYS  74           HZ3      LYS  74 104.362 -26.253  13.722
  634    H    VAL  75           HN       VAL  75 102.129 -20.894   8.458
  635    HA   VAL  75           HA       VAL  75 101.790 -18.936   7.211
  636    HB   VAL  75           HB       VAL  75  99.074 -20.109   7.738
  637   HG11  VAL  75          HG11      VAL  75  98.339 -18.131   6.859
  638   HG12  VAL  75          HG12      VAL  75  98.859 -18.859   5.340
  639   HG13  VAL  75          HG13      VAL  75  99.918 -17.727   6.182
  640   HG21  VAL  75          HG21      VAL  75 101.078 -21.325   6.558
  641   HG22  VAL  75          HG22      VAL  75 100.719 -20.234   5.217
  642   HG23  VAL  75          HG23      VAL  75  99.488 -21.363   5.794
  643    HA   PRO  76           HA       PRO  76 100.972 -16.133  10.814
  644    HB2  PRO  76           HB2      PRO  76 102.663 -14.396   9.075
  645    HB3  PRO  76           HB1      PRO  76 102.768 -14.686  10.823
  646    HG2  PRO  76           HG2      PRO  76 104.517 -15.769   9.141
  647    HG3  PRO  76           HG1      PRO  76 103.932 -16.655  10.562
  648    HD2  PRO  76           HD2      PRO  76 103.192 -16.997   7.685
  649    HD3  PRO  76           HD1      PRO  76 103.343 -18.230   8.962
  650    H    VAL  77           HN       VAL  77  99.149 -15.033  10.835
  651    HA   VAL  77           HA       VAL  77  97.888 -14.136   8.366
  652    HB   VAL  77           HB       VAL  77  96.948 -13.898  11.230
  653   HG11  VAL  77          HG11      VAL  77  95.641 -13.427   8.553
  654   HG12  VAL  77          HG12      VAL  77  95.759 -12.320   9.922
  655   HG13  VAL  77          HG13      VAL  77  94.699 -13.726  10.014
  656   HG21  VAL  77          HG21      VAL  77  96.390 -16.112  11.105
  657   HG22  VAL  77          HG22      VAL  77  97.181 -16.211   9.528
  658   HG23  VAL  77          HG23      VAL  77  95.470 -15.794   9.635
  659    H    THR  78           HN       THR  78  99.898 -12.810  10.784
  660    HA   THR  78           HA       THR  78  99.098 -10.201  11.075
  661    HB   THR  78           HB       THR  78 101.469  -9.622  11.346
  662    HG1  THR  78           HG1      THR  78 102.332 -12.164  10.750
  663   HG21  THR  78          HG21      THR  78 100.278 -12.067  12.528
  664   HG22  THR  78          HG22      THR  78 100.932 -10.634  13.321
  665   HG23  THR  78          HG23      THR  78 102.020 -11.890  12.733
  666    H    ALA  79           HN       ALA  79 100.456 -11.742   8.247
  667    HA   ALA  79           HA       ALA  79 101.191  -9.513   6.737
  668    HB1  ALA  79           HB1      ALA  79 100.306 -11.196   4.829
  669    HB2  ALA  79           HB2      ALA  79 100.413 -12.317   6.189
  670    HB3  ALA  79           HB3      ALA  79 101.841 -11.417   5.669
  671    H    PHE  80           HN       PHE  80  98.047 -10.869   7.432
  672    HA   PHE  80           HA       PHE  80  96.612  -9.486   5.382
  673    HB2  PHE  80           HB2      PHE  80  95.803 -10.930   7.900
  674    HB3  PHE  80           HB1      PHE  80  94.624 -10.073   6.927
  675    HD1  PHE  80           HD1      PHE  80  93.658 -11.112   5.061
  676    HD2  PHE  80           HD2      PHE  80  97.353 -12.619   6.650
  677    HE1  PHE  80           HE1      PHE  80  93.550 -13.030   3.492
  678    HE2  PHE  80           HE2      PHE  80  97.245 -14.536   5.081
  679    HZ   PHE  80           HZ       PHE  80  95.345 -14.742   3.502
  680    H    SER  81           HN       SER  81  97.424  -8.796   8.755
  681    HA   SER  81           HA       SER  81  95.725  -6.542   9.057
  682    HB2  SER  81           HB2      SER  81  97.170  -5.999  10.988
  683    HB3  SER  81           HB1      SER  81  96.676  -7.689  10.990
  684    HG   SER  81           HG       SER  81  99.167  -6.535  10.352
  685    H    TYR  82           HN       TYR  82  99.107  -6.894   8.043
  686    HA   TYR  82           HA       TYR  82  99.728  -4.153   7.881
  687    HB2  TYR  82           HB2      TYR  82 100.840  -6.648   6.683
  688    HB3  TYR  82           HB1      TYR  82 101.332  -5.108   5.986
  689    HD1  TYR  82           HD1      TYR  82 101.535  -7.302   8.915
  690    HD2  TYR  82           HD2      TYR  82 102.488  -3.414   7.359
  691    HE1  TYR  82           HE1      TYR  82 103.112  -6.937  10.794
  692    HE2  TYR  82           HE2      TYR  82 104.065  -3.049   9.238
  693    HH   TYR  82           HH       TYR  82 105.132  -5.540  11.251
  694    H    TRP  83           HN       TRP  83  98.459  -6.402   5.436
  695    HA   TRP  83           HA       TRP  83  98.458  -4.670   3.252
  696    HB2  TRP  83           HB2      TRP  83  96.600  -6.947   3.965
  697    HB3  TRP  83           HB1      TRP  83  96.560  -6.121   2.409
  698    HD1  TRP  83           HD1      TRP  83 100.014  -6.334   3.764
  699    HE1  TRP  83           HE1      TRP  83 101.344  -8.157   2.540
  700    HE3  TRP  83           HE3      TRP  83  96.215  -8.679   1.283
  701    HZ2  TRP  83           HZ2      TRP  83 100.870 -10.330   0.742
  702    HZ3  TRP  83           HZ3      TRP  83  96.686 -10.623  -0.180
  703    HH2  TRP  83           HH2      TRP  83  99.007 -11.450  -0.454
  704    H    ASN  84           HN       ASN  84  95.893  -5.228   5.648
  705    HA   ASN  84           HA       ASN  84  94.044  -3.406   4.524
  706    HB2  ASN  84           HB2      ASN  84  94.372  -4.679   7.226
  707    HB3  ASN  84           HB1      ASN  84  93.145  -3.440   6.971
  708   HD21  ASN  84          HD21      ASN  84  92.312  -4.068   4.332
  709   HD22  ASN  84          HD22      ASN  84  91.604  -5.611   4.334
  710    H    LEU  85           HN       LEU  85  96.526  -3.002   7.057
  711    HA   LEU  85           HA       LEU  85  95.762  -0.371   7.722
  712    HB2  LEU  85           HB2      LEU  85  97.088  -1.750   9.235
  713    HB3  LEU  85           HB1      LEU  85  98.409  -1.785   8.068
  714    HG   LEU  85           HG       LEU  85  98.647   0.649   8.230
  715   HD11  LEU  85          HD11      LEU  85  96.181   0.347   9.906
  716   HD12  LEU  85          HD12      LEU  85  96.575   1.586   8.714
  717   HD13  LEU  85          HD13      LEU  85  97.320   1.631  10.310
  718   HD21  LEU  85          HD21      LEU  85  99.804  -0.894   9.849
  719   HD22  LEU  85          HD22      LEU  85  98.504  -0.576  10.995
  720   HD23  LEU  85          HD23      LEU  85  99.552   0.738  10.470
  721    H    ILE  86           HN       ILE  86  98.671  -1.502   5.980
  722    HA   ILE  86           HA       ILE  86  99.564   0.938   5.055
  723    HB   ILE  86           HB       ILE  86  99.960  -1.862   4.310
  724   HG12  ILE  86          HG12      ILE  86 101.894   0.453   4.123
  725   HG13  ILE  86          HG11      ILE  86 101.430  -0.236   5.686
  726   HG21  ILE  86          HG21      ILE  86 101.132  -1.200   2.162
  727   HG22  ILE  86          HG22      ILE  86 100.235   0.308   2.231
  728   HG23  ILE  86          HG23      ILE  86  99.369  -1.218   2.088
  729   HD11  ILE  86          HD11      ILE  86 102.529  -1.859   3.383
  730   HD12  ILE  86          HD12      ILE  86 102.217  -2.419   5.027
  731   HD13  ILE  86          HD13      ILE  86 103.505  -1.251   4.723
  732    H    LYS  87           HN       LYS  87  97.052  -1.147   3.737
  733    HA   LYS  87           HA       LYS  87  96.688   0.051   1.264
  734    HB2  LYS  87           HB2      LYS  87  95.417  -1.867   1.544
  735    HB3  LYS  87           HB1      LYS  87  94.870  -1.395   3.152
  736    HG2  LYS  87           HG2      LYS  87  93.327   0.202   2.277
  737    HG3  LYS  87           HG1      LYS  87  94.056   0.121   0.664
  738    HD2  LYS  87           HD2      LYS  87  93.327  -2.253   0.496
  739    HD3  LYS  87           HD1      LYS  87  92.546  -2.101   2.071
  740    HE2  LYS  87           HE2      LYS  87  91.110  -0.302   1.198
  741    HE3  LYS  87           HE1      LYS  87  91.902  -0.425  -0.372
  742    HZ1  LYS  87           HZ1      LYS  87  89.841  -2.052   0.751
  743    HZ2  LYS  87           HZ2      LYS  87  91.156  -2.982   0.211
  744    HZ3  LYS  87           HZ3      LYS  87  90.362  -1.928  -0.859
  745    H    GLU  88           HN       GLU  88  95.228   0.966   4.418
  746    HA   GLU  88           HA       GLU  88  93.869   3.185   3.202
  747    HB2  GLU  88           HB2      GLU  88  92.722   3.314   5.171
  748    HB3  GLU  88           HB1      GLU  88  93.327   1.670   5.324
  749    HG2  GLU  88           HG2      GLU  88  93.891   2.617   7.388
  750    HG3  GLU  88           HG1      GLU  88  95.385   2.751   6.477
  751    H    LEU  89           HN       LEU  89  96.962   2.642   4.579
  752    HA   LEU  89           HA       LEU  89  97.505   5.132   5.706
  753    HB2  LEU  89           HB2      LEU  89  98.833   2.871   5.578
  754    HB3  LEU  89           HB1      LEU  89  99.631   3.655   4.230
  755    HG   LEU  89           HG       LEU  89 100.909   4.104   6.234
  756   HD11  LEU  89          HD11      LEU  89 100.389   5.979   4.535
  757   HD12  LEU  89          HD12      LEU  89 101.077   6.433   6.091
  758   HD13  LEU  89          HD13      LEU  89  99.352   6.635   5.804
  759   HD21  LEU  89          HD21      LEU  89 100.015   4.565   8.277
  760   HD22  LEU  89          HD22      LEU  89  98.533   3.909   7.586
  761   HD23  LEU  89          HD23      LEU  89  98.801   5.651   7.606
  762    H    ILE  90           HN       ILE  90  97.970   3.960   2.375
  763    HA   ILE  90           HA       ILE  90  99.208   6.315   1.413
  764    HB   ILE  90           HB       ILE  90  97.528   4.240  -0.031
  765   HG12  ILE  90          HG12      ILE  90 100.498   4.669   0.397
  766   HG13  ILE  90          HG11      ILE  90  99.531   3.309   0.935
  767   HG21  ILE  90          HG21      ILE  90  97.553   6.358  -1.311
  768   HG22  ILE  90          HG22      ILE  90  98.572   5.180  -2.104
  769   HG23  ILE  90          HG23      ILE  90  99.301   6.461  -1.134
  770   HD11  ILE  90          HD11      ILE  90  98.998   3.187  -1.708
  771   HD12  ILE  90          HD12      ILE  90 100.365   2.349  -0.982
  772   HD13  ILE  90          HD13      ILE  90 100.608   3.902  -1.775
  773    H    ASP  91           HN       ASP  91  95.804   5.292   1.566
  774    HA   ASP  91           HA       ASP  91  94.512   7.196   0.119
  775    HB2  ASP  91           HB2      ASP  91  93.520   5.331   1.587
  776    HB3  ASP  91           HB1      ASP  91  93.564   6.510   2.895
  777    H    LYS  92           HN       LYS  92  96.195   7.657   3.145
  778    HA   LYS  92           HA       LYS  92  95.097  10.164   3.855
  779    HB2  LYS  92           HB2      LYS  92  96.733   8.494   5.128
  780    HB3  LYS  92           HB1      LYS  92  97.965   9.546   4.432
  781    HG2  LYS  92           HG2      LYS  92  96.941  11.503   5.459
  782    HG3  LYS  92           HG1      LYS  92  95.602  10.526   6.065
  783    HD2  LYS  92           HD2      LYS  92  97.151   9.219   7.448
  784    HD3  LYS  92           HD1      LYS  92  98.511  10.159   6.831
  785    HE2  LYS  92           HE2      LYS  92  97.963  11.173   8.910
  786    HE3  LYS  92           HE1      LYS  92  97.259  12.231   7.688
  787    HZ1  LYS  92           HZ1      LYS  92  95.282  11.894   8.583
  788    HZ2  LYS  92           HZ2      LYS  92  95.960  10.875   9.761
  789    HZ3  LYS  92           HZ3      LYS  92  95.404  10.229   8.291
  790    H    LYS  93           HN       LYS  93  95.460  12.174   3.107
  791    HA   LYS  93           HA       LYS  93  97.056  12.498   0.717
  792    HB2  LYS  93           HB2      LYS  93  95.399  14.450   2.330
  793    HB3  LYS  93           HB1      LYS  93  96.218  14.854   0.821
  794    HG2  LYS  93           HG2      LYS  93  94.949  13.073  -0.338
  795    HG3  LYS  93           HG1      LYS  93  94.114  12.696   1.170
  796    HD2  LYS  93           HD2      LYS  93  93.181  14.968   1.244
  797    HD3  LYS  93           HD1      LYS  93  94.045  15.382  -0.238
  798    HE2  LYS  93           HE2      LYS  93  91.767  14.820  -0.836
  799    HE3  LYS  93           HE1      LYS  93  92.813  13.513  -1.391
  800    HZ1  LYS  93           HZ1      LYS  93  90.914  12.591  -0.290
  801    HZ2  LYS  93           HZ2      LYS  93  91.181  13.548   1.088
  802    HZ3  LYS  93           HZ3      LYS  93  92.280  12.319   0.678
  803    H    GLU  94           HN       GLU  94  97.772  12.510   3.950
  804    HA   GLU  94           HA       GLU  94  99.765  14.653   3.794
  805    HB2  GLU  94           HB2      GLU  94  98.807  12.910   6.069
  806    HB3  GLU  94           HB1      GLU  94 100.131  14.065   6.220
  807    HG2  GLU  94           HG2      GLU  94  98.645  15.897   5.560
  808    HG3  GLU  94           HG1      GLU  94  97.319  14.759   5.328
  809    H    VAL  95           HN       VAL  95 100.282  12.541   2.061
  810    HA   VAL  95           HA       VAL  95 102.054  10.616   3.227
  811    HB   VAL  95           HB       VAL  95 101.810  11.477   0.334
  812   HG11  VAL  95          HG11      VAL  95 102.770   9.236  -0.104
  813   HG12  VAL  95          HG12      VAL  95 102.962   8.996   1.632
  814   HG13  VAL  95          HG13      VAL  95 103.881  10.254   0.809
  815   HG21  VAL  95          HG21      VAL  95 100.515   9.166   0.400
  816   HG22  VAL  95          HG22      VAL  95  99.693  10.681   0.769
  817   HG23  VAL  95          HG23      VAL  95 100.238   9.632   2.078
  818    H    ASN  96           HN       ASN  96 104.230  10.687   3.487
  819    HA   ASN  96           HA       ASN  96 105.623  12.930   3.986
  820    HB2  ASN  96           HB2      ASN  96 107.525  11.261   2.738
  821    HB3  ASN  96           HB1      ASN  96 107.149  11.363   4.457
  822   HD21  ASN  96          HD21      ASN  96 106.931   9.226   5.166
  823   HD22  ASN  96          HD22      ASN  96 106.001   8.043   4.382
  824    HA   PRO  97           HA       PRO  97 106.734  15.395   0.491
  825    HB2  PRO  97           HB2      PRO  97 109.571  14.537   0.814
  826    HB3  PRO  97           HB1      PRO  97 108.894  16.172   0.706
  827    HG2  PRO  97           HG2      PRO  97 109.709  15.099   3.027
  828    HG3  PRO  97           HG1      PRO  97 108.367  16.248   2.919
  829    HD2  PRO  97           HD2      PRO  97 108.288  13.344   3.488
  830    HD3  PRO  97           HD1      PRO  97 107.103  14.612   3.864
  831    H    GLN  98           HN       GLN  98 107.736  12.081   0.650
  832    HA   GLN  98           HA       GLN  98 108.863  11.575  -1.796
  833    HB2  GLN  98           HB2      GLN  98 108.387   9.379  -1.399
  834    HB3  GLN  98           HB1      GLN  98 107.996  10.008   0.201
  835    HG2  GLN  98           HG2      GLN  98 105.617  10.377  -0.757
  836    HG3  GLN  98           HG1      GLN  98 106.123   9.277  -2.046
  837   HE21  GLN  98          HE21      GLN  98 104.201   8.042  -0.862
  838   HE22  GLN  98          HE22      GLN  98 104.680   6.987   0.378
  839    H    VAL  99           HN       VAL  99 105.807  12.933  -1.243
  840    HA   VAL  99           HA       VAL  99 104.280  11.940  -3.378
  841    HB   VAL  99           HB       VAL  99 104.322  14.667  -2.069
  842   HG11  VAL  99          HG11      VAL  99 103.229  15.150  -4.068
  843   HG12  VAL  99          HG12      VAL  99 101.880  14.594  -3.077
  844   HG13  VAL  99          HG13      VAL  99 102.621  13.506  -4.251
  845   HG21  VAL  99          HG21      VAL  99 102.244  12.502  -1.791
  846   HG22  VAL  99          HG22      VAL  99 102.601  13.836  -0.694
  847   HG23  VAL  99          HG23      VAL  99 103.712  12.469  -0.813
  848    H    MET 100           HN       MET 100 106.480  14.748  -3.266
  849    HA   MET 100           HA       MET 100 106.102  15.504  -5.974
  850    HB2  MET 100           HB2      MET 100 108.303  16.022  -3.976
  851    HB3  MET 100           HB1      MET 100 108.348  16.669  -5.617
  852    HG2  MET 100           HG2      MET 100 106.193  17.789  -5.260
  853    HG3  MET 100           HG1      MET 100 106.088  17.100  -3.642
  854    HE1  MET 100           HE1      MET 100 109.447  18.757  -5.422
  855    HE2  MET 100           HE2      MET 100 108.774  20.377  -5.264
  856    HE3  MET 100           HE3      MET 100 107.869  19.137  -6.126
  857    H    ALA 101           HN       ALA 101 108.443  13.405  -4.363
  858    HA   ALA 101           HA       ALA 101 109.917  12.832  -6.765
  859    HB1  ALA 101           HB1      ALA 101 110.628  10.853  -5.027
  860    HB2  ALA 101           HB2      ALA 101 109.998  12.056  -3.895
  861    HB3  ALA 101           HB3      ALA 101 111.328  12.474  -4.977
  862    H    ALA 102           HN       ALA 102 107.057  11.711  -5.364
  863    HA   ALA 102           HA       ALA 102 107.142   9.086  -6.652
  864    HB1  ALA 102           HB1      ALA 102 106.176   9.188  -4.419
  865    HB2  ALA 102           HB2      ALA 102 104.929   8.746  -5.593
  866    HB3  ALA 102           HB3      ALA 102 105.002  10.392  -4.965
  867    H    VAL 103           HN       VAL 103 105.514  12.182  -6.957
  868    HA   VAL 103           HA       VAL 103 103.595  11.525  -8.880
  869    HB   VAL 103           HB       VAL 103 105.117  14.064  -8.304
  870   HG11  VAL 103          HG11      VAL 103 103.151  13.439 -10.508
  871   HG12  VAL 103          HG12      VAL 103 104.646  14.371 -10.593
  872   HG13  VAL 103          HG13      VAL 103 103.222  15.059  -9.812
  873   HG21  VAL 103          HG21      VAL 103 102.144  13.641  -8.129
  874   HG22  VAL 103          HG22      VAL 103 103.175  14.702  -7.168
  875   HG23  VAL 103          HG23      VAL 103 103.178  12.963  -6.873
  876    H    ALA 104           HN       ALA 104 106.989  12.472  -9.270
  877    HA   ALA 104           HA       ALA 104 107.119  12.709 -12.031
  878    HB1  ALA 104           HB1      ALA 104 109.390  11.272 -10.829
  879    HB2  ALA 104           HB2      ALA 104 108.945  12.761  -9.995
  880    HB3  ALA 104           HB3      ALA 104 109.359  12.800 -11.708
  881    H    GLN 105           HN       GLN 105 106.899   9.834 -10.043
  882    HA   GLN 105           HA       GLN 105 107.745   7.867 -11.813
  883    HB2  GLN 105           HB2      GLN 105 107.051   7.517  -9.421
  884    HB3  GLN 105           HB1      GLN 105 105.372   7.620  -9.953
  885    HG2  GLN 105           HG2      GLN 105 105.745   5.732 -11.501
  886    HG3  GLN 105           HG1      GLN 105 107.418   5.622 -10.960
  887   HE21  GLN 105          HE21      GLN 105 107.571   3.818  -9.622
  888   HE22  GLN 105          HE22      GLN 105 106.464   3.423  -8.398
  889    H    THR 106           HN       THR 106 104.767   9.714 -11.767
  890    HA   THR 106           HA       THR 106 104.008   8.449 -14.327
  891    HB   THR 106           HB       THR 106 101.675   8.425 -13.670
  892    HG1  THR 106           HG1      THR 106 101.153   9.814 -12.200
  893   HG21  THR 106          HG21      THR 106 102.839   7.228 -11.229
  894   HG22  THR 106          HG22      THR 106 103.574   6.709 -12.746
  895   HG23  THR 106          HG23      THR 106 101.844   6.489 -12.482
  896    H    GLU 107           HN       GLU 107 102.636   9.800 -15.676
  897    HA   GLU 107           HA       GLU 107 103.309  12.636 -15.351
  898    HB2  GLU 107           HB2      GLU 107 102.159  11.093 -17.689
  899    HB3  GLU 107           HB1      GLU 107 102.503  12.823 -17.702
  900    HG2  GLU 107           HG2      GLU 107 104.870  12.382 -17.218
  901    HG3  GLU 107           HG1      GLU 107 104.546  10.651 -17.161
  902    H    GLU 108           HN       GLU 108 101.748  14.286 -15.427
  903    HA   GLU 108           HA       GLU 108  99.236  13.600 -14.204
  904    HB2  GLU 108           HB2      GLU 108 100.334  16.226 -15.236
  905    HB3  GLU 108           HB1      GLU 108  98.799  16.059 -14.379
  906    HG2  GLU 108           HG2      GLU 108  99.962  15.124 -12.431
  907    HG3  GLU 108           HG1      GLU 108 101.502  15.224 -13.284
  908    H    ILE 109           HN       ILE 109  97.464  12.990 -15.245
  909    HA   ILE 109           HA       ILE 109  97.226  12.764 -18.014
  910    HB   ILE 109           HB       ILE 109  94.779  12.469 -17.574
  911   HG12  ILE 109          HG12      ILE 109  95.508  13.086 -14.693
  912   HG13  ILE 109          HG11      ILE 109  94.713  14.239 -15.758
  913   HG21  ILE 109          HG21      ILE 109  96.902  11.069 -15.983
  914   HG22  ILE 109          HG22      ILE 109  95.857  10.438 -17.258
  915   HG23  ILE 109          HG23      ILE 109  95.218  10.687 -15.637
  916   HD11  ILE 109          HD11      ILE 109  93.415  12.398 -14.168
  917   HD12  ILE 109          HD12      ILE 109  93.416  11.611 -15.747
  918   HD13  ILE 109          HD13      ILE 109  92.709  13.216 -15.562
  919    H    LEU 110           HN       LEU 110  96.557  15.462 -15.902
  920    HA   LEU 110           HA       LEU 110  94.962  16.991 -17.675
  921    HB2  LEU 110           HB2      LEU 110  96.847  18.035 -15.550
  922    HB3  LEU 110           HB1      LEU 110  95.444  18.858 -16.226
  923    HG   LEU 110           HG       LEU 110  95.351  16.252 -14.677
  924   HD11  LEU 110          HD11      LEU 110  95.901  18.508 -13.465
  925   HD12  LEU 110          HD12      LEU 110  94.646  17.461 -12.802
  926   HD13  LEU 110          HD13      LEU 110  94.200  18.874 -13.759
  927   HD21  LEU 110          HD21      LEU 110  93.312  17.944 -16.099
  928   HD22  LEU 110          HD22      LEU 110  92.833  17.061 -14.651
  929   HD23  LEU 110          HD23      LEU 110  93.461  16.188 -16.047
  930    H    LYS 111           HN       LYS 111  98.435  16.612 -17.272
  931    HA   LYS 111           HA       LYS 111  99.266  18.799 -18.832
  932    HB2  LYS 111           HB2      LYS 111 100.714  17.415 -17.301
  933    HB3  LYS 111           HB1      LYS 111 100.715  16.159 -18.538
  934    HG2  LYS 111           HG2      LYS 111 101.761  17.666 -20.139
  935    HG3  LYS 111           HG1      LYS 111 101.630  19.020 -19.015
  936    HD2  LYS 111           HD2      LYS 111 103.116  17.821 -17.432
  937    HD3  LYS 111           HD1      LYS 111 103.261  16.495 -18.588
  938    HE2  LYS 111           HE2      LYS 111 104.271  17.989 -20.233
  939    HE3  LYS 111           HE1      LYS 111 104.047  19.367 -19.156
  940    HZ1  LYS 111           HZ1      LYS 111 105.503  18.306 -17.550
  941    HZ2  LYS 111           HZ2      LYS 111 106.300  18.507 -19.037
  942    HZ3  LYS 111           HZ3      LYS 111 105.717  16.977 -18.583
  943    H    SER 112           HN       SER 112  97.496  16.123 -19.739
  944    HA   SER 112           HA       SER 112  98.605  15.449 -22.238
  945    HB2  SER 112           HB2      SER 112  96.929  14.003 -21.359
  946    HB3  SER 112           HB1      SER 112  95.784  15.328 -21.180
  947    HG   SER 112           HG       SER 112  95.610  15.454 -23.388
  948    H    ASN 113           HN       ASN 113  96.131  17.839 -21.347
  949    HA   ASN 113           HA       ASN 113  95.680  18.783 -23.988
  950    HB2  ASN 113           HB2      ASN 113  94.055  19.189 -22.232
  951    HB3  ASN 113           HB1      ASN 113  95.233  20.124 -21.315
  952   HD21  ASN 113          HD21      ASN 113  93.020  21.565 -21.841
  953   HD22  ASN 113          HD22      ASN 113  93.246  22.638 -23.136
  954    H    SER 114           HN       SER 114  97.806  19.875 -21.374
  955    HA   SER 114           HA       SER 114  99.610  21.093 -23.275
  956    HB2  SER 114           HB2      SER 114  98.417  22.927 -21.205
  957    HB3  SER 114           HB1      SER 114  99.407  23.346 -22.601
  958    HG   SER 114           HG       SER 114  96.731  23.040 -22.411
  959    H    GLN 115           HN       GLN 115 100.806  22.840 -21.314
  960    HA   GLN 115           HA       GLN 115 102.503  20.967 -20.008
  961    HB2  GLN 115           HB2      GLN 115 102.173  23.949 -19.695
  962    HB3  GLN 115           HB1      GLN 115 103.448  23.014 -18.912
  963    HG2  GLN 115           HG2      GLN 115 104.272  22.257 -21.090
  964    HG3  GLN 115           HG1      GLN 115 102.966  23.116 -21.904
  965   HE21  GLN 115          HE21      GLN 115 106.044  23.498 -21.890
  966   HE22  GLN 115          HE22      GLN 115 106.235  25.153 -21.567
  967    H    THR 116           HN       THR 116  99.816  22.997 -18.915
  968    HA   THR 116           HA       THR 116  99.635  21.348 -16.493
  969    HB   THR 116           HB       THR 116  99.518  23.220 -15.016
  970    HG1  THR 116           HG1      THR 116 100.032  25.089 -16.997
  971   HG21  THR 116          HG21      THR 116 101.731  24.118 -15.199
  972   HG22  THR 116          HG22      THR 116 101.755  23.870 -16.945
  973   HG23  THR 116          HG23      THR 116 101.800  22.483 -15.856
  974    H    ASP 117           HN       ASP 117  97.545  21.857 -15.289
  975    HA   ASP 117           HA       ASP 117  95.359  21.556 -17.054
  976    HB2  ASP 117           HB2      ASP 117  93.970  21.822 -15.016
  977    HB3  ASP 117           HB1      ASP 117  95.287  20.678 -14.787
  978    H    LEU 118           HN       LEU 118  96.549  24.345 -15.193
  979    HA   LEU 118           HA       LEU 118  94.483  26.142 -15.931
  980    HB2  LEU 118           HB2      LEU 118  97.262  26.435 -14.858
  981    HB3  LEU 118           HB1      LEU 118  96.423  27.863 -15.464
  982    HG   LEU 118           HG       LEU 118  94.536  27.413 -13.950
  983   HD11  LEU 118          HD11      LEU 118  96.234  25.042 -13.134
  984   HD12  LEU 118          HD12      LEU 118  94.610  25.009 -13.820
  985   HD13  LEU 118          HD13      LEU 118  94.866  25.631 -12.190
  986   HD21  LEU 118          HD21      LEU 118  97.324  27.710 -12.908
  987   HD22  LEU 118          HD22      LEU 118  96.026  27.481 -11.738
  988   HD23  LEU 118          HD23      LEU 118  95.978  28.847 -12.852
  989    H    GLU 119           HN       GLU 119  97.646  25.413 -17.358
  990    HA   GLU 119           HA       GLU 119  98.568  25.941 -19.401
  991    HB2  GLU 119           HB2      GLU 119  96.527  24.630 -20.102
  992    HB3  GLU 119           HB1      GLU 119  95.687  26.167 -20.308
  993    HG2  GLU 119           HG2      GLU 119  97.438  26.886 -21.919
  994    HG3  GLU 119           HG1      GLU 119  98.223  25.320 -21.738
  995    H    HIS 120           HN       HIS 120  99.039  28.041 -18.117
  996    HA   HIS 120           HA       HIS 120  97.670  30.350 -19.350
  997    HB2  HIS 120           HB2      HIS 120  98.022  29.986 -16.748
  998    HB3  HIS 120           HB1      HIS 120  99.617  30.651 -17.102
  999    HD1  HIS 120           HD1      HIS 120  99.415  32.948 -18.730
 1000    HD2  HIS 120           HD2      HIS 120  96.194  31.992 -16.262
 1001    HE1  HIS 120           HE1      HIS 120  98.051  35.066 -18.479
 1002    HE2  HIS 120           HE2      HIS 120  96.083  34.501 -16.977
 1003    H    HIS 121           HN       HIS 121  98.687  30.793 -21.229
 1004    HA   HIS 121           HA       HIS 121 101.552  30.507 -21.516
 1005    HB2  HIS 121           HB2      HIS 121 100.106  30.010 -23.416
 1006    HB3  HIS 121           HB1      HIS 121  99.455  31.649 -23.377
 1007    HD1  HIS 121           HD1      HIS 121 102.483  29.683 -24.355
 1008    HD2  HIS 121           HD2      HIS 121 101.252  33.666 -24.344
 1009    HE1  HIS 121           HE1      HIS 121 104.173  30.958 -25.745
 1010    HE2  HIS 121           HE2      HIS 121 103.436  33.388 -25.748
 1011    H    HIS 122           HN       HIS 122 103.042  32.041 -21.195
 1012    HA   HIS 122           HA       HIS 122 102.240  34.635 -20.211
 1013    HB2  HIS 122           HB2      HIS 122 104.950  33.407 -20.762
 1014    HB3  HIS 122           HB1      HIS 122 104.718  35.011 -20.065
 1015    HD1  HIS 122           HD1      HIS 122 103.800  31.385 -19.356
 1016    HD2  HIS 122           HD2      HIS 122 104.278  34.991 -17.321
 1017    HE1  HIS 122           HE1      HIS 122 103.564  30.852 -16.891
 1018    HE2  HIS 122           HE2      HIS 122 103.854  33.042 -15.636
 1019    H    HIS 123           HN       HIS 123 102.091  36.482 -21.329
 1020    HA   HIS 123           HA       HIS 123 102.175  36.526 -24.149
 1021    HB2  HIS 123           HB2      HIS 123 101.840  38.535 -21.986
 1022    HB3  HIS 123           HB1      HIS 123 102.324  39.143 -23.569
 1023    HD1  HIS 123           HD1      HIS 123  99.494  37.477 -21.771
 1024    HD2  HIS 123           HD2      HIS 123 100.378  38.767 -25.636
 1025    HE1  HIS 123           HE1      HIS 123  97.320  37.399 -23.068
 1026    HE2  HIS 123           HE2      HIS 123  97.842  38.182 -25.426
 1027    H    HIS 124           HN       HIS 124 104.497  37.576 -21.690
 1028    HA   HIS 124           HA       HIS 124 106.567  37.667 -23.790
 1029    HB2  HIS 124           HB2      HIS 124 106.160  39.732 -21.614
 1030    HB3  HIS 124           HB1      HIS 124 107.540  39.670 -22.710
 1031    HD1  HIS 124           HD1      HIS 124 103.848  40.384 -22.632
 1032    HD2  HIS 124           HD2      HIS 124 106.995  40.533 -25.361
 1033    HE1  HIS 124           HE1      HIS 124 102.977  41.623 -24.662
 1034    HE2  HIS 124           HE2      HIS 124 104.884  41.722 -26.335
 1035    H    HIS 125           HN       HIS 125 108.614  37.021 -23.140
 1036    HA   HIS 125           HA       HIS 125 108.687  35.544 -20.607
 1037    HB2  HIS 125           HB2      HIS 125 110.498  35.517 -23.030
 1038    HB3  HIS 125           HB1      HIS 125 110.795  34.575 -21.568
 1039    HD1  HIS 125           HD1      HIS 125 108.635  32.995 -20.850
 1040    HD2  HIS 125           HD2      HIS 125 108.882  34.185 -24.838
 1041    HE1  HIS 125           HE1      HIS 125 107.142  31.423 -22.159
 1042    HE2  HIS 125           HE2      HIS 125 107.282  32.136 -24.593
  Start of MODEL   15
    1    H21  MYR   1          1H2       MYR   1 118.329   8.524   1.224
    2    H22  MYR   1          2H2       MYR   1 117.471   9.261   2.395
    3    H31  MYR   1          1H3       MYR   1 115.985   9.870   0.357
    4    H32  MYR   1          2H3       MYR   1 116.586   8.456  -0.181
    5    H41  MYR   1          1H4       MYR   1 115.470   7.261   1.315
    6    H42  MYR   1          2H4       MYR   1 115.548   8.420   2.455
    7    H51  MYR   1          1H5       MYR   1 113.868   9.653   1.203
    8    H52  MYR   1          2H5       MYR   1 113.676   8.347   0.239
    9    H61  MYR   1          1H6       MYR   1 112.851   8.707   2.938
   10    H62  MYR   1          2H6       MYR   1 112.079   7.914   1.743
   11    H71  MYR   1          1H7       MYR   1 114.123   6.330   2.204
   12    H72  MYR   1          2H7       MYR   1 113.788   6.883   3.701
   13    H81  MYR   1          1H8       MYR   1 111.688   5.740   2.145
   14    H82  MYR   1          2H8       MYR   1 112.717   4.753   2.933
   15    H91  MYR   1          1H9       MYR   1 111.812   5.174   4.906
   16    H92  MYR   1          2H9       MYR   1 111.511   6.735   4.550
   17   H101  MYR   1          1H10      MYR   1 109.417   5.958   4.646
   18   H102  MYR   1          2H10      MYR   1 109.708   5.761   3.057
   19   H111  MYR   1          1H11      MYR   1 110.067   3.475   3.328
   20   H112  MYR   1          2H11      MYR   1 110.066   3.605   4.949
   21   H121  MYR   1          1H12      MYR   1 107.851   3.629   5.078
   22   H122  MYR   1          2H12      MYR   1 107.677   4.458   3.688
   23   H131  MYR   1          1H13      MYR   1 108.386   2.306   2.591
   24   H132  MYR   1          2H13      MYR   1 107.952   1.619   4.001
   25   H141  MYR   1          1H14      MYR   1 105.945   1.483   3.093
   26   H142  MYR   1          2H14      MYR   1 105.828   3.068   3.483
   27   H143  MYR   1          3H14      MYR   1 106.289   2.631   1.979
   28    H    GLY   2           HN       GLY   2 120.005   9.559   1.347
   29    HA2  GLY   2           HA2      GLY   2 121.191  11.294   2.313
   30    HA3  GLY   2           HA1      GLY   2 119.950  12.401   1.734
   31    H    GLN   3           HN       GLN   3 119.513  13.574   3.555
   32    HA   GLN   3           HA       GLN   3 119.393  12.511   6.176
   33    HB2  GLN   3           HB2      GLN   3 118.236  15.039   4.983
   34    HB3  GLN   3           HB1      GLN   3 118.242  14.674   6.709
   35    HG2  GLN   3           HG2      GLN   3 120.682  14.541   6.708
   36    HG3  GLN   3           HG1      GLN   3 120.720  14.803   4.965
   37   HE21  GLN   3          HE21      GLN   3 122.159  16.707   5.967
   38   HE22  GLN   3          HE22      GLN   3 121.322  18.156   6.249
   39    H    GLU   4           HN       GLU   4 117.108  12.675   3.571
   40    HA   GLU   4           HA       GLU   4 114.663  12.566   4.858
   41    HB2  GLU   4           HB2      GLU   4 115.564  11.097   2.373
   42    HB3  GLU   4           HB1      GLU   4 113.884  11.237   2.890
   43    HG2  GLU   4           HG2      GLU   4 114.039  13.689   2.780
   44    HG3  GLU   4           HG1      GLU   4 115.729  13.567   2.290
   45    H    LEU   5           HN       LEU   5 117.182  10.200   4.767
   46    HA   LEU   5           HA       LEU   5 115.956   7.792   5.145
   47    HB2  LEU   5           HB2      LEU   5 118.432   8.201   5.174
   48    HB3  LEU   5           HB1      LEU   5 118.270   8.792   6.827
   49    HG   LEU   5           HG       LEU   5 117.258   6.598   7.473
   50   HD11  LEU   5          HD11      LEU   5 116.395   5.477   5.684
   51   HD12  LEU   5          HD12      LEU   5 118.022   4.806   5.577
   52   HD13  LEU   5          HD13      LEU   5 117.558   6.165   4.553
   53   HD21  LEU   5          HD21      LEU   5 119.546   6.771   7.991
   54   HD22  LEU   5          HD22      LEU   5 120.028   6.745   6.295
   55   HD23  LEU   5          HD23      LEU   5 119.450   5.270   7.071
   56    H    SER   6           HN       SER   6 115.919  10.525   7.282
   57    HA   SER   6           HA       SER   6 115.274   9.336   9.721
   58    HB2  SER   6           HB2      SER   6 114.179  11.485  10.265
   59    HB3  SER   6           HB1      SER   6 115.752  11.726   9.507
   60    HG   SER   6           HG       SER   6 114.670  12.880   8.124
   61    H    GLN   7           HN       GLN   7 113.294   9.966   6.889
   62    HA   GLN   7           HA       GLN   7 110.743   9.630   7.965
   63    HB2  GLN   7           HB2      GLN   7 111.798   8.812   5.244
   64    HB3  GLN   7           HB1      GLN   7 110.090   8.915   5.675
   65    HG2  GLN   7           HG2      GLN   7 112.026  11.232   5.909
   66    HG3  GLN   7           HG1      GLN   7 110.976  10.970   4.517
   67   HE21  GLN   7          HE21      GLN   7 111.071  12.971   7.016
   68   HE22  GLN   7          HE22      GLN   7 109.434  13.040   7.458
   69    H    HIS   8           HN       HIS   8 112.987   7.157   6.646
   70    HA   HIS   8           HA       HIS   8 111.338   4.934   6.980
   71    HB2  HIS   8           HB2      HIS   8 113.674   5.154   5.866
   72    HB3  HIS   8           HB1      HIS   8 114.306   4.853   7.483
   73    HD1  HIS   8           HD1      HIS   8 114.871   2.723   5.404
   74    HD2  HIS   8           HD2      HIS   8 111.425   2.704   7.746
   75    HE1  HIS   8           HE1      HIS   8 114.023   0.337   5.412
   76    HE2  HIS   8           HE2      HIS   8 111.921   0.308   6.835
   77    H    GLU   9           HN       GLU   9 113.773   6.288   9.213
   78    HA   GLU   9           HA       GLU   9 113.573   4.543  11.328
   79    HB2  GLU   9           HB2      GLU   9 113.749   7.564  11.465
   80    HB3  GLU   9           HB1      GLU   9 114.110   6.469  12.799
   81    HG2  GLU   9           HG2      GLU   9 115.492   6.319  10.111
   82    HG3  GLU   9           HG1      GLU   9 116.135   7.230  11.476
   83    H    ARG  10           HN       ARG  10 111.316   7.076  10.393
   84    HA   ARG  10           HA       ARG  10 109.624   6.726  12.709
   85    HB2  ARG  10           HB2      ARG  10 109.611   8.881  11.659
   86    HB3  ARG  10           HB1      ARG  10 109.188   8.190  10.098
   87    HG2  ARG  10           HG2      ARG  10 107.011   7.490  10.994
   88    HG3  ARG  10           HG1      ARG  10 107.470   8.085  12.591
   89    HD2  ARG  10           HD2      ARG  10 107.675  10.364  11.682
   90    HD3  ARG  10           HD1      ARG  10 107.226   9.766  10.087
   91    HE   ARG  10           HE       ARG  10 105.008   9.578  10.817
   92   HH11  ARG  10          HH11      ARG  10 103.361  10.057  12.308
   93   HH12  ARG  10          HH12      ARG  10 103.772  10.512  13.928
   94   HH21  ARG  10          HH21      ARG  10 107.192  10.267  13.412
   95   HH22  ARG  10          HH22      ARG  10 105.941  10.631  14.553
   96    H    TYR  11           HN       TYR  11 109.433   5.841   9.275
   97    HA   TYR  11           HA       TYR  11 106.932   4.621   9.298
   98    HB2  TYR  11           HB2      TYR  11 108.199   4.975   7.236
   99    HB3  TYR  11           HB1      TYR  11 109.405   3.806   7.762
  100    HD1  TYR  11           HD1      TYR  11 105.949   4.251   6.573
  101    HD2  TYR  11           HD2      TYR  11 108.956   1.409   7.726
  102    HE1  TYR  11           HE1      TYR  11 104.585   2.417   5.614
  103    HE2  TYR  11           HE2      TYR  11 107.593  -0.423   6.760
  104    HH   TYR  11           HH       TYR  11 105.613  -0.370   4.732
  105    H    VAL  12           HN       VAL  12 110.103   3.139   9.986
  106    HA   VAL  12           HA       VAL  12 109.119   0.523  10.473
  107    HB   VAL  12           HB       VAL  12 111.578   2.004  11.395
  108   HG11  VAL  12          HG11      VAL  12 111.470   0.478  13.134
  109   HG12  VAL  12          HG12      VAL  12 112.254  -0.518  11.908
  110   HG13  VAL  12          HG13      VAL  12 110.525  -0.680  12.196
  111   HG21  VAL  12          HG21      VAL  12 112.539   1.101   9.549
  112   HG22  VAL  12          HG22      VAL  12 110.884   0.841   8.996
  113   HG23  VAL  12          HG23      VAL  12 111.757  -0.459   9.804
  114    H    GLU  13           HN       GLU  13 109.977   3.081  12.829
  115    HA   GLU  13           HA       GLU  13 109.009   1.605  15.065
  116    HB2  GLU  13           HB2      GLU  13 109.631   4.534  14.681
  117    HB3  GLU  13           HB1      GLU  13 109.170   3.833  16.232
  118    HG2  GLU  13           HG2      GLU  13 111.081   2.305  16.141
  119    HG3  GLU  13           HG1      GLU  13 111.524   2.924  14.550
  120    H    GLN  14           HN       GLN  14 107.632   4.231  13.167
  121    HA   GLN  14           HA       GLN  14 105.249   4.490  14.677
  122    HB2  GLN  14           HB2      GLN  14 106.172   6.233  13.116
  123    HB3  GLN  14           HB1      GLN  14 105.658   5.222  11.766
  124    HG2  GLN  14           HG2      GLN  14 103.948   6.921  12.234
  125    HG3  GLN  14           HG1      GLN  14 103.319   5.314  12.623
  126   HE21  GLN  14          HE21      GLN  14 101.847   6.028  14.298
  127   HE22  GLN  14          HE22      GLN  14 102.398   6.697  15.758
  128    H    LEU  15           HN       LEU  15 105.392   3.461  11.291
  129    HA   LEU  15           HA       LEU  15 102.992   2.293  10.987
  130    HB2  LEU  15           HB2      LEU  15 105.170   2.233   9.460
  131    HB3  LEU  15           HB1      LEU  15 105.300   0.602  10.108
  132    HG   LEU  15           HG       LEU  15 104.055   0.531   8.016
  133   HD11  LEU  15          HD11      LEU  15 101.975   0.345  10.182
  134   HD12  LEU  15          HD12      LEU  15 103.311  -0.802  10.105
  135   HD13  LEU  15          HD13      LEU  15 102.173  -0.679   8.764
  136   HD21  LEU  15          HD21      LEU  15 103.174   3.058   8.763
  137   HD22  LEU  15          HD22      LEU  15 101.735   2.064   8.961
  138   HD23  LEU  15          HD23      LEU  15 102.556   2.123   7.402
  139    H    LYS  16           HN       LYS  16 105.765   0.667  12.544
  140    HA   LYS  16           HA       LYS  16 104.408  -1.735  13.159
  141    HB2  LYS  16           HB2      LYS  16 106.790  -0.344  14.366
  142    HB3  LYS  16           HB1      LYS  16 106.177  -1.855  15.029
  143    HG2  LYS  16           HG2      LYS  16 106.391  -2.903  12.789
  144    HG3  LYS  16           HG1      LYS  16 107.082  -1.405  12.167
  145    HD2  LYS  16           HD2      LYS  16 108.969  -1.577  13.680
  146    HD3  LYS  16           HD1      LYS  16 108.256  -2.973  14.484
  147    HE2  LYS  16           HE2      LYS  16 108.264  -3.963  12.013
  148    HE3  LYS  16           HE1      LYS  16 109.562  -2.786  11.804
  149    HZ1  LYS  16           HZ1      LYS  16 109.448  -5.144  13.531
  150    HZ2  LYS  16           HZ2      LYS  16 110.350  -3.805  14.062
  151    HZ3  LYS  16           HZ3      LYS  16 110.729  -4.559  12.587
  152    H    GLN  17           HN       GLN  17 104.692   1.312  14.916
  153    HA   GLN  17           HA       GLN  17 103.348   0.434  17.275
  154    HB2  GLN  17           HB2      GLN  17 103.940   3.134  16.073
  155    HB3  GLN  17           HB1      GLN  17 102.919   2.993  17.501
  156    HG2  GLN  17           HG2      GLN  17 105.601   1.625  17.370
  157    HG3  GLN  17           HG1      GLN  17 105.467   3.315  17.857
  158   HE21  GLN  17          HE21      GLN  17 106.171   0.839  19.502
  159   HE22  GLN  17          HE22      GLN  17 105.069   0.866  20.793
  160    H    ALA  18           HN       ALA  18 102.207   2.499  14.591
  161    HA   ALA  18           HA       ALA  18  99.524   2.606  15.206
  162    HB1  ALA  18           HB1      ALA  18 100.761   3.775  13.297
  163    HB2  ALA  18           HB2      ALA  18  99.127   3.211  12.946
  164    HB3  ALA  18           HB3      ALA  18 100.518   2.291  12.375
  165    H    LEU  19           HN       LEU  19 101.360  -0.063  14.363
  166    HA   LEU  19           HA       LEU  19  99.123  -1.671  13.335
  167    HB2  LEU  19           HB2      LEU  19 102.034  -1.935  13.414
  168    HB3  LEU  19           HB1      LEU  19 101.209  -3.435  13.835
  169    HG   LEU  19           HG       LEU  19 100.474  -1.779  11.410
  170   HD11  LEU  19          HD11      LEU  19 101.872  -3.154  10.067
  171   HD12  LEU  19          HD12      LEU  19 102.160  -4.287  11.386
  172   HD13  LEU  19          HD13      LEU  19 102.887  -2.682  11.427
  173   HD21  LEU  19          HD21      LEU  19  99.224  -3.927  12.718
  174   HD22  LEU  19          HD22      LEU  19 100.029  -4.655  11.328
  175   HD23  LEU  19          HD23      LEU  19  98.876  -3.343  11.091
  176    H    LYS  20           HN       LYS  20 101.257  -1.634  16.176
  177    HA   LYS  20           HA       LYS  20 100.273  -3.762  17.590
  178    HB2  LYS  20           HB2      LYS  20 101.097  -1.037  18.590
  179    HB3  LYS  20           HB1      LYS  20 100.742  -2.386  19.669
  180    HG2  LYS  20           HG2      LYS  20 102.472  -3.740  18.495
  181    HG3  LYS  20           HG1      LYS  20 102.855  -2.339  17.495
  182    HD2  LYS  20           HD2      LYS  20 103.476  -1.053  19.488
  183    HD3  LYS  20           HD1      LYS  20 103.040  -2.414  20.521
  184    HE2  LYS  20           HE2      LYS  20 104.764  -3.800  19.422
  185    HE3  LYS  20           HE1      LYS  20 105.207  -2.432  18.401
  186    HZ1  LYS  20           HZ1      LYS  20 105.154  -1.866  21.233
  187    HZ2  LYS  20           HZ2      LYS  20 106.308  -1.443  20.061
  188    HZ3  LYS  20           HZ3      LYS  20 106.338  -2.988  20.766
  189    H    THR  21           HN       THR  21  98.768  -0.632  17.112
  190    HA   THR  21           HA       THR  21  96.723  -0.795  19.024
  191    HB   THR  21           HB       THR  21  97.372   1.152  17.451
  192    HG1  THR  21           HG1      THR  21  95.563   2.024  18.102
  193   HG21  THR  21          HG21      THR  21  96.377   1.279  15.346
  194   HG22  THR  21          HG22      THR  21  95.153   0.072  15.742
  195   HG23  THR  21          HG23      THR  21  96.816  -0.425  15.440
  196    H    ARG  22           HN       ARG  22  97.031  -2.265  15.846
  197    HA   ARG  22           HA       ARG  22  94.320  -3.162  15.697
  198    HB2  ARG  22           HB2      ARG  22  96.816  -3.834  14.163
  199    HB3  ARG  22           HB1      ARG  22  95.308  -4.707  13.896
  200    HG2  ARG  22           HG2      ARG  22  94.157  -2.573  13.417
  201    HG3  ARG  22           HG1      ARG  22  95.667  -1.697  13.669
  202    HD2  ARG  22           HD2      ARG  22  96.708  -2.986  11.843
  203    HD3  ARG  22           HD1      ARG  22  95.182  -3.819  11.566
  204    HE   ARG  22           HE       ARG  22  95.803  -1.047  10.886
  205   HH11  ARG  22          HH11      ARG  22  94.254  -0.036   9.573
  206   HH12  ARG  22          HH12      ARG  22  92.720  -0.794   9.312
  207   HH21  ARG  22          HH21      ARG  22  93.450  -3.554  11.280
  208   HH22  ARG  22          HH22      ARG  22  92.265  -2.786  10.277
  209    H    GLY  23           HN       GLY  23  97.029  -4.170  17.459
  210    HA2  GLY  23           HA2      GLY  23  96.707  -5.839  19.216
  211    HA3  GLY  23           HA1      GLY  23  95.702  -6.741  18.085
  212    H    VAL  24           HN       VAL  24  98.723  -5.233  17.118
  213    HA   VAL  24           HA       VAL  24  99.835  -7.926  16.665
  214    HB   VAL  24           HB       VAL  24 100.626  -5.314  15.367
  215   HG11  VAL  24          HG11      VAL  24 101.524  -7.106  13.671
  216   HG12  VAL  24          HG12      VAL  24 101.473  -8.184  15.066
  217   HG13  VAL  24          HG13      VAL  24 102.465  -6.726  15.112
  218   HG21  VAL  24          HG21      VAL  24  99.450  -6.407  13.366
  219   HG22  VAL  24          HG22      VAL  24  98.393  -5.802  14.643
  220   HG23  VAL  24          HG23      VAL  24  98.738  -7.528  14.526
  221    H    LYS  25           HN       LYS  25 102.274  -8.040  16.795
  222    HA   LYS  25           HA       LYS  25 103.374  -6.200  18.806
  223    HB2  LYS  25           HB2      LYS  25 103.432  -9.221  18.919
  224    HB3  LYS  25           HB1      LYS  25 104.473  -8.188  19.900
  225    HG2  LYS  25           HG2      LYS  25 102.483  -7.091  20.861
  226    HG3  LYS  25           HG1      LYS  25 101.441  -8.131  19.888
  227    HD2  LYS  25           HD2      LYS  25 102.424 -10.122  20.998
  228    HD3  LYS  25           HD1      LYS  25 103.410  -9.056  22.001
  229    HE2  LYS  25           HE2      LYS  25 101.373  -8.024  22.925
  230    HE3  LYS  25           HE1      LYS  25 100.379  -9.072  21.913
  231    HZ1  LYS  25           HZ1      LYS  25 101.143 -10.977  23.052
  232    HZ2  LYS  25           HZ2      LYS  25 100.719  -9.848  24.249
  233    HZ3  LYS  25           HZ3      LYS  25 102.354 -10.109  23.865
  234    H    VAL  26           HN       VAL  26 105.559  -5.770  18.591
  235    HA   VAL  26           HA       VAL  26 106.903  -7.030  16.273
  236    HB   VAL  26           HB       VAL  26 107.869  -4.933  15.690
  237   HG11  VAL  26          HG11      VAL  26 105.978  -4.162  14.731
  238   HG12  VAL  26          HG12      VAL  26 105.287  -3.723  16.293
  239   HG13  VAL  26          HG13      VAL  26 105.109  -5.366  15.679
  240   HG21  VAL  26          HG21      VAL  26 106.855  -4.113  18.405
  241   HG22  VAL  26          HG22      VAL  26 107.134  -2.894  17.162
  242   HG23  VAL  26          HG23      VAL  26 108.466  -3.906  17.714
  243    H    LYS  27           HN       LYS  27 108.719  -8.035  16.767
  244    HA   LYS  27           HA       LYS  27 110.087  -7.335  19.281
  245    HB2  LYS  27           HB2      LYS  27 109.127  -9.704  18.948
  246    HB3  LYS  27           HB1      LYS  27 110.435  -9.924  17.788
  247    HG2  LYS  27           HG2      LYS  27 111.429  -8.760  20.277
  248    HG3  LYS  27           HG1      LYS  27 110.588 -10.276  20.578
  249    HD2  LYS  27           HD2      LYS  27 112.037 -11.202  18.602
  250    HD3  LYS  27           HD1      LYS  27 113.008  -9.763  18.880
  251    HE2  LYS  27           HE2      LYS  27 113.243 -10.386  21.258
  252    HE3  LYS  27           HE1      LYS  27 112.355 -11.876  20.927
  253    HZ1  LYS  27           HZ1      LYS  27 114.260 -11.799  18.989
  254    HZ2  LYS  27           HZ2      LYS  27 114.320 -12.736  20.406
  255    HZ3  LYS  27           HZ3      LYS  27 115.081 -11.218  20.355
  256    H    TYR  28           HN       TYR  28 112.515  -7.769  19.221
  257    HA   TYR  28           HA       TYR  28 113.787  -6.131  17.382
  258    HB2  TYR  28           HB2      TYR  28 114.930  -8.504  18.886
  259    HB3  TYR  28           HB1      TYR  28 115.883  -7.239  18.115
  260    HD1  TYR  28           HD1      TYR  28 115.741  -4.890  18.928
  261    HD2  TYR  28           HD2      TYR  28 113.811  -8.126  20.989
  262    HE1  TYR  28           HE1      TYR  28 115.499  -3.463  20.942
  263    HE2  TYR  28           HE2      TYR  28 113.569  -6.700  23.002
  264    HH   TYR  28           HH       TYR  28 114.020  -3.352  22.948
  265    H    ALA  29           HN       ALA  29 113.271  -9.623  17.254
  266    HA   ALA  29           HA       ALA  29 114.723 -10.140  14.906
  267    HB1  ALA  29           HB1      ALA  29 112.365 -11.647  16.053
  268    HB2  ALA  29           HB2      ALA  29 114.066 -11.942  16.418
  269    HB3  ALA  29           HB3      ALA  29 113.448 -12.238  14.793
  270    H    ASP  30           HN       ASP  30 111.804  -8.557  15.466
  271    HA   ASP  30           HA       ASP  30 110.438  -9.147  13.005
  272    HB2  ASP  30           HB2      ASP  30 109.455  -8.158  15.183
  273    HB3  ASP  30           HB1      ASP  30 110.026  -6.611  14.566
  274    H    LEU  31           HN       LEU  31 112.485  -6.468  14.092
  275    HA   LEU  31           HA       LEU  31 112.337  -4.994  11.653
  276    HB2  LEU  31           HB2      LEU  31 114.301  -5.066  13.949
  277    HB3  LEU  31           HB1      LEU  31 114.587  -4.051  12.537
  278    HG   LEU  31           HG       LEU  31 112.105  -3.255  12.985
  279   HD11  LEU  31          HD11      LEU  31 111.585  -3.253  15.410
  280   HD12  LEU  31          HD12      LEU  31 113.020  -4.231  15.716
  281   HD13  LEU  31          HD13      LEU  31 111.680  -4.899  14.785
  282   HD21  LEU  31          HD21      LEU  31 113.013  -1.488  14.505
  283   HD22  LEU  31          HD22      LEU  31 114.031  -1.772  13.094
  284   HD23  LEU  31          HD23      LEU  31 114.495  -2.431  14.662
  285    H    LEU  32           HN       LEU  32 114.578  -7.493  12.830
  286    HA   LEU  32           HA       LEU  32 116.436  -7.317  10.727
  287    HB2  LEU  32           HB2      LEU  32 115.544  -9.853  12.095
  288    HB3  LEU  32           HB1      LEU  32 117.114  -9.536  11.349
  289    HG   LEU  32           HG       LEU  32 115.980  -8.068  13.758
  290   HD11  LEU  32          HD11      LEU  32 118.523  -9.545  13.972
  291   HD12  LEU  32          HD12      LEU  32 117.111 -10.570  13.710
  292   HD13  LEU  32          HD13      LEU  32 117.162  -9.475  15.093
  293   HD21  LEU  32          HD21      LEU  32 118.552  -7.362  13.729
  294   HD22  LEU  32          HD22      LEU  32 117.354  -6.468  12.794
  295   HD23  LEU  32          HD23      LEU  32 118.375  -7.669  12.002
  296    H    LYS  33           HN       LYS  33 113.593  -9.436  11.010
  297    HA   LYS  33           HA       LYS  33 113.872 -10.497   8.370
  298    HB2  LYS  33           HB2      LYS  33 112.752 -11.740  10.186
  299    HB3  LYS  33           HB1      LYS  33 111.464 -10.536  10.197
  300    HG2  LYS  33           HG2      LYS  33 110.907 -11.073   7.862
  301    HG3  LYS  33           HG1      LYS  33 112.228 -12.240   7.806
  302    HD2  LYS  33           HD2      LYS  33 111.155 -13.549   9.597
  303    HD3  LYS  33           HD1      LYS  33 109.834 -12.382   9.661
  304    HE2  LYS  33           HE2      LYS  33 109.267 -12.878   7.317
  305    HE3  LYS  33           HE1      LYS  33 110.597 -14.033   7.233
  306    HZ1  LYS  33           HZ1      LYS  33 109.496 -15.174   9.169
  307    HZ2  LYS  33           HZ2      LYS  33 108.682 -15.282   7.682
  308    HZ3  LYS  33           HZ3      LYS  33 108.141 -14.199   8.875
  309    H    PHE  34           HN       PHE  34 111.512  -8.246   9.825
  310    HA   PHE  34           HA       PHE  34 110.064  -7.707   7.499
  311    HB2  PHE  34           HB2      PHE  34 109.323  -7.067   9.764
  312    HB3  PHE  34           HB1      PHE  34 110.605  -5.857   9.832
  313    HD1  PHE  34           HD1      PHE  34 110.161  -3.680   9.110
  314    HD2  PHE  34           HD2      PHE  34 107.746  -6.921   7.653
  315    HE1  PHE  34           HE1      PHE  34 108.710  -2.064   7.923
  316    HE2  PHE  34           HE2      PHE  34 106.293  -5.301   6.463
  317    HZ   PHE  34           HZ       PHE  34 106.774  -2.872   6.596
  318    H    PHE  35           HN       PHE  35 112.939  -6.105   8.799
  319    HA   PHE  35           HA       PHE  35 112.981  -4.010   6.838
  320    HB2  PHE  35           HB2      PHE  35 114.100  -4.064   9.150
  321    HB3  PHE  35           HB1      PHE  35 115.391  -4.985   8.375
  322    HD1  PHE  35           HD1      PHE  35 116.327  -3.929   6.136
  323    HD2  PHE  35           HD2      PHE  35 114.106  -1.764   9.115
  324    HE1  PHE  35           HE1      PHE  35 117.226  -1.795   5.252
  325    HE2  PHE  35           HE2      PHE  35 115.008   0.372   8.225
  326    HZ   PHE  35           HZ       PHE  35 116.567   0.357   6.298
  327    H    ASP  36           HN       ASP  36 114.637  -7.140   7.201
  328    HA   ASP  36           HA       ASP  36 116.203  -6.847   4.805
  329    HB2  ASP  36           HB2      ASP  36 115.544  -9.246   6.519
  330    HB3  ASP  36           HB1      ASP  36 116.612  -9.318   5.118
  331    H    PHE  37           HN       PHE  37 113.002  -7.885   5.502
  332    HA   PHE  37           HA       PHE  37 112.543  -9.571   3.271
  333    HB2  PHE  37           HB2      PHE  37 110.955  -8.345   5.378
  334    HB3  PHE  37           HB1      PHE  37 110.106  -8.343   3.837
  335    HD1  PHE  37           HD1      PHE  37 108.609 -10.126   3.765
  336    HD2  PHE  37           HD2      PHE  37 112.537 -10.750   5.387
  337    HE1  PHE  37           HE1      PHE  37 108.124 -12.546   4.007
  338    HE2  PHE  37           HE2      PHE  37 112.054 -13.171   5.626
  339    HZ   PHE  37           HZ       PHE  37 109.846 -14.068   4.937
  340    H    VAL  38           HN       VAL  38 111.529  -6.193   3.800
  341    HA   VAL  38           HA       VAL  38 110.728  -5.799   1.092
  342    HB   VAL  38           HB       VAL  38 110.989  -3.310   1.774
  343   HG11  VAL  38          HG11      VAL  38 108.922  -3.459   3.141
  344   HG12  VAL  38          HG12      VAL  38 109.175  -5.197   3.313
  345   HG13  VAL  38          HG13      VAL  38 108.841  -4.507   1.725
  346   HG21  VAL  38          HG21      VAL  38 111.622  -2.813   3.914
  347   HG22  VAL  38          HG22      VAL  38 112.493  -4.338   3.776
  348   HG23  VAL  38          HG23      VAL  38 110.921  -4.289   4.568
  349    H    LYS  39           HN       LYS  39 113.733  -5.149   2.831
  350    HA   LYS  39           HA       LYS  39 115.056  -3.681   0.815
  351    HB2  LYS  39           HB2      LYS  39 115.843  -3.898   3.163
  352    HB3  LYS  39           HB1      LYS  39 116.290  -5.572   2.833
  353    HG2  LYS  39           HG2      LYS  39 117.840  -4.834   1.078
  354    HG3  LYS  39           HG1      LYS  39 117.371  -3.155   1.351
  355    HD2  LYS  39           HD2      LYS  39 118.193  -3.310   3.679
  356    HD3  LYS  39           HD1      LYS  39 118.681  -4.981   3.388
  357    HE2  LYS  39           HE2      LYS  39 120.213  -4.231   1.606
  358    HE3  LYS  39           HE1      LYS  39 119.725  -2.560   1.888
  359    HZ1  LYS  39           HZ1      LYS  39 121.436  -2.548   3.305
  360    HZ2  LYS  39           HZ2      LYS  39 121.508  -4.242   3.410
  361    HZ3  LYS  39           HZ3      LYS  39 120.395  -3.376   4.357
  362    H    ASP  40           HN       ASP  40 114.380  -7.081   1.126
  363    HA   ASP  40           HA       ASP  40 116.389  -8.204  -0.433
  364    HB2  ASP  40           HB2      ASP  40 114.686  -9.502   0.802
  365    HB3  ASP  40           HB1      ASP  40 113.470  -8.994  -0.368
  366    H    THR  41           HN       THR  41 113.169  -7.120  -1.559
  367    HA   THR  41           HA       THR  41 114.309  -6.891  -4.283
  368    HB   THR  41           HB       THR  41 111.843  -7.048  -4.972
  369    HG1  THR  41           HG1      THR  41 110.891  -8.471  -3.121
  370   HG21  THR  41          HG21      THR  41 113.134  -9.433  -3.614
  371   HG22  THR  41          HG22      THR  41 113.500  -8.874  -5.247
  372   HG23  THR  41          HG23      THR  41 111.895  -9.498  -4.867
  373    H    CYS  42           HN       CYS  42 113.312  -5.114  -1.652
  374    HA   CYS  42           HA       CYS  42 112.557  -2.950  -1.330
  375    HB2  CYS  42           HB2      CYS  42 113.901  -2.144  -3.863
  376    HB3  CYS  42           HB1      CYS  42 113.986  -1.416  -2.260
  377    HG   CYS  42           HG       CYS  42 116.109  -2.654  -2.041
  378    HA   PRO  43           HA       PRO  43 109.385  -3.506  -4.782
  379    HB2  PRO  43           HB2      PRO  43 107.512  -3.958  -2.549
  380    HB3  PRO  43           HB1      PRO  43 107.764  -4.914  -4.021
  381    HG2  PRO  43           HG2      PRO  43 108.542  -5.776  -1.627
  382    HG3  PRO  43           HG1      PRO  43 109.460  -6.140  -3.097
  383    HD2  PRO  43           HD2      PRO  43 110.033  -4.101  -0.965
  384    HD3  PRO  43           HD1      PRO  43 111.137  -5.179  -1.840
  385    H    TRP  44           HN       TRP  44 109.051  -2.006  -1.593
  386    HA   TRP  44           HA       TRP  44 107.195  -0.009  -2.539
  387    HB2  TRP  44           HB2      TRP  44 108.419  -0.753   0.060
  388    HB3  TRP  44           HB1      TRP  44 107.960   0.937  -0.131
  389    HD1  TRP  44           HD1      TRP  44 105.341   0.979  -1.541
  390    HE1  TRP  44           HE1      TRP  44 103.219  -0.181  -0.647
  391    HE3  TRP  44           HE3      TRP  44 107.467  -2.451   1.588
  392    HZ2  TRP  44           HZ2      TRP  44 102.520  -2.294   1.152
  393    HZ3  TRP  44           HZ3      TRP  44 106.051  -4.027   2.873
  394    HH2  TRP  44           HH2      TRP  44 103.582  -3.949   2.665
  395    H    PHE  45           HN       PHE  45 110.211  -0.363  -3.371
  396    HA   PHE  45           HA       PHE  45 112.026   1.013  -3.813
  397    HB2  PHE  45           HB2      PHE  45 110.015   3.170  -4.322
  398    HB3  PHE  45           HB1      PHE  45 111.475   2.772  -5.226
  399    HD1  PHE  45           HD1      PHE  45 111.334  -0.047  -5.743
  400    HD2  PHE  45           HD2      PHE  45 108.142   2.828  -5.673
  401    HE1  PHE  45           HE1      PHE  45 110.007  -1.483  -7.263
  402    HE2  PHE  45           HE2      PHE  45 106.815   1.389  -7.191
  403    HZ   PHE  45           HZ       PHE  45 107.752  -0.764  -7.988
  404    HA   PRO  46           HA       PRO  46 111.288   3.106   0.442
  405    HB2  PRO  46           HB2      PRO  46 113.711   1.929   1.323
  406    HB3  PRO  46           HB1      PRO  46 112.068   1.443   1.776
  407    HG2  PRO  46           HG2      PRO  46 113.880   0.299  -0.272
  408    HG3  PRO  46           HG1      PRO  46 112.685  -0.498   0.765
  409    HD2  PRO  46           HD2      PRO  46 112.162  -0.100  -1.838
  410    HD3  PRO  46           HD1      PRO  46 110.887   0.104  -0.617
  411    H    GLN  47           HN       GLN  47 113.362   3.126  -2.193
  412    HA   GLN  47           HA       GLN  47 115.596   4.596  -1.379
  413    HB2  GLN  47           HB2      GLN  47 114.038   4.624  -3.970
  414    HB3  GLN  47           HB1      GLN  47 115.555   5.498  -3.753
  415    HG2  GLN  47           HG2      GLN  47 116.671   3.374  -3.123
  416    HG3  GLN  47           HG1      GLN  47 115.156   2.514  -3.395
  417   HE21  GLN  47          HE21      GLN  47 117.110   1.563  -4.973
  418   HE22  GLN  47          HE22      GLN  47 117.012   2.164  -6.557
  419    H    GLU  48           HN       GLU  48 112.498   5.834  -2.662
  420    HA   GLU  48           HA       GLU  48 113.204   8.525  -1.685
  421    HB2  GLU  48           HB2      GLU  48 112.253   8.317  -3.950
  422    HB3  GLU  48           HB1      GLU  48 110.798   7.592  -3.273
  423    HG2  GLU  48           HG2      GLU  48 110.392   9.958  -3.632
  424    HG3  GLU  48           HG1      GLU  48 110.454   9.663  -1.910
  425    H    GLY  49           HN       GLY  49 111.116   5.826  -0.968
  426    HA2  GLY  49           HA2      GLY  49 110.120   5.414   1.131
  427    HA3  GLY  49           HA1      GLY  49 110.299   7.121   1.529
  428    H    THR  50           HN       THR  50 108.443   4.816  -0.397
  429    HA   THR  50           HA       THR  50 106.095   6.540  -0.110
  430    HB   THR  50           HB       THR  50 107.311   6.934  -2.362
  431    HG1  THR  50           HG1      THR  50 104.637   6.442  -1.813
  432   HG21  THR  50          HG21      THR  50 105.900   4.339  -3.048
  433   HG22  THR  50          HG22      THR  50 107.636   4.442  -2.736
  434   HG23  THR  50          HG23      THR  50 106.920   5.322  -4.086
  435    H    ILE  51           HN       ILE  51 104.075   5.350  -0.810
  436    HA   ILE  51           HA       ILE  51 104.343   2.485  -0.120
  437    HB   ILE  51           HB       ILE  51 101.734   3.902   0.025
  438   HG12  ILE  51          HG12      ILE  51 104.070   4.277   1.905
  439   HG13  ILE  51          HG11      ILE  51 103.068   5.517   1.148
  440   HG21  ILE  51          HG21      ILE  51 103.052   1.932   1.902
  441   HG22  ILE  51          HG22      ILE  51 102.154   1.424   0.472
  442   HG23  ILE  51          HG23      ILE  51 101.336   2.302   1.760
  443   HD11  ILE  51          HD11      ILE  51 101.113   4.473   2.433
  444   HD12  ILE  51          HD12      ILE  51 102.279   5.409   3.365
  445   HD13  ILE  51          HD13      ILE  51 102.341   3.646   3.388
  446    H    ASP  52           HN       ASP  52 103.447   0.941  -1.474
  447    HA   ASP  52           HA       ASP  52 101.852   1.863  -3.764
  448    HB2  ASP  52           HB2      ASP  52 104.278   1.685  -4.429
  449    HB3  ASP  52           HB1      ASP  52 104.193  -0.027  -4.026
  450    H    ILE  53           HN       ILE  53 100.085   0.701  -3.856
  451    HA   ILE  53           HA       ILE  53  99.742  -1.715  -2.333
  452    HB   ILE  53           HB       ILE  53  97.872  -0.559  -4.407
  453   HG12  ILE  53          HG12      ILE  53  98.420   1.171  -2.778
  454   HG13  ILE  53          HG11      ILE  53  96.798   0.571  -2.433
  455   HG21  ILE  53          HG21      ILE  53  97.452  -2.911  -3.585
  456   HG22  ILE  53          HG22      ILE  53  96.156  -1.784  -3.196
  457   HG23  ILE  53          HG23      ILE  53  97.312  -2.262  -1.954
  458   HD11  ILE  53          HD11      ILE  53  99.362   0.125  -0.916
  459   HD12  ILE  53          HD12      ILE  53  98.097  -1.098  -0.819
  460   HD13  ILE  53          HD13      ILE  53  97.767   0.549  -0.292
  461    H    LYS  54           HN       LYS  54 100.102  -0.949  -5.758
  462    HA   LYS  54           HA       LYS  54  99.500  -3.516  -6.768
  463    HB2  LYS  54           HB2      LYS  54 101.247  -1.309  -7.893
  464    HB3  LYS  54           HB1      LYS  54 100.744  -2.741  -8.788
  465    HG2  LYS  54           HG2      LYS  54  98.387  -2.146  -8.481
  466    HG3  LYS  54           HG1      LYS  54  98.849  -0.738  -7.524
  467    HD2  LYS  54           HD2      LYS  54 100.040   0.204  -9.460
  468    HD3  LYS  54           HD1      LYS  54  99.606  -1.210 -10.423
  469    HE2  LYS  54           HE2      LYS  54  97.222  -0.685 -10.153
  470    HE3  LYS  54           HE1      LYS  54  97.629   0.707  -9.151
  471    HZ1  LYS  54           HZ1      LYS  54  98.600   0.365 -11.930
  472    HZ2  LYS  54           HZ2      LYS  54  98.683   1.762 -10.967
  473    HZ3  LYS  54           HZ3      LYS  54  97.181   1.211 -11.541
  474    H    ARG  55           HN       ARG  55 102.679  -1.986  -6.247
  475    HA   ARG  55           HA       ARG  55 104.204  -4.269  -6.858
  476    HB2  ARG  55           HB2      ARG  55 104.944  -1.997  -4.991
  477    HB3  ARG  55           HB1      ARG  55 106.057  -3.102  -5.788
  478    HG2  ARG  55           HG2      ARG  55 104.127  -1.387  -7.356
  479    HG3  ARG  55           HG1      ARG  55 105.718  -0.797  -6.884
  480    HD2  ARG  55           HD2      ARG  55 106.704  -2.839  -8.011
  481    HD3  ARG  55           HD1      ARG  55 105.096  -3.199  -8.626
  482    HE   ARG  55           HE       ARG  55 106.836  -1.038  -9.493
  483   HH11  ARG  55          HH11      ARG  55 106.121   0.048 -11.353
  484   HH12  ARG  55          HH12      ARG  55 104.509  -0.206 -11.931
  485   HH21  ARG  55          HH21      ARG  55 103.676  -2.446  -9.417
  486   HH22  ARG  55          HH22      ARG  55 103.125  -1.619 -10.836
  487    H    TRP  56           HN       TRP  56 102.698  -3.178  -3.885
  488    HA   TRP  56           HA       TRP  56 104.015  -4.837  -2.093
  489    HB2  TRP  56           HB2      TRP  56 102.600  -3.144  -1.213
  490    HB3  TRP  56           HB1      TRP  56 101.204  -3.765  -2.094
  491    HD1  TRP  56           HD1      TRP  56  99.612  -4.922  -0.514
  492    HE1  TRP  56           HE1      TRP  56  99.822  -6.473   1.534
  493    HE3  TRP  56           HE3      TRP  56 104.699  -5.107  -0.055
  494    HZ2  TRP  56           HZ2      TRP  56 101.877  -7.640   3.147
  495    HZ3  TRP  56           HZ3      TRP  56 105.751  -6.450   1.729
  496    HH2  TRP  56           HH2      TRP  56 104.351  -7.716   3.334
  497    H    ARG  57           HN       ARG  57 101.208  -5.462  -4.132
  498    HA   ARG  57           HA       ARG  57 100.612  -8.034  -3.121
  499    HB2  ARG  57           HB2      ARG  57 100.043  -6.752  -5.807
  500    HB3  ARG  57           HB1      ARG  57  99.441  -8.340  -5.339
  501    HG2  ARG  57           HG2      ARG  57  98.446  -7.232  -3.274
  502    HG3  ARG  57           HG1      ARG  57  98.832  -5.683  -4.023
  503    HD2  ARG  57           HD2      ARG  57  97.091  -7.847  -5.227
  504    HD3  ARG  57           HD1      ARG  57  96.516  -6.341  -4.523
  505    HE   ARG  57           HE       ARG  57  97.871  -6.654  -7.097
  506   HH11  ARG  57          HH11      ARG  57  97.781  -4.821  -8.430
  507   HH12  ARG  57          HH12      ARG  57  97.210  -3.318  -7.786
  508   HH21  ARG  57          HH21      ARG  57  96.633  -4.587  -4.612
  509   HH22  ARG  57          HH22      ARG  57  96.562  -3.186  -5.627
  510    H    ARG  58           HN       ARG  58 102.752  -6.908  -5.704
  511    HA   ARG  58           HA       ARG  58 103.357  -9.405  -6.844
  512    HB2  ARG  58           HB2      ARG  58 104.947  -6.855  -6.599
  513    HB3  ARG  58           HB1      ARG  58 105.554  -8.263  -7.473
  514    HG2  ARG  58           HG2      ARG  58 103.521  -8.229  -8.896
  515    HG3  ARG  58           HG1      ARG  58 102.958  -6.796  -8.037
  516    HD2  ARG  58           HD2      ARG  58 104.982  -5.573  -8.751
  517    HD3  ARG  58           HD1      ARG  58 105.538  -7.005  -9.615
  518    HE   ARG  58           HE       ARG  58 102.908  -6.180 -10.439
  519   HH11  ARG  58          HH11      ARG  58 102.743  -5.305 -12.529
  520   HH12  ARG  58          HH12      ARG  58 104.169  -4.778 -13.357
  521   HH21  ARG  58          HH21      ARG  58 106.309  -5.628 -10.764
  522   HH22  ARG  58          HH22      ARG  58 106.189  -4.961 -12.358
  523    H    VAL  59           HN       VAL  59 105.035  -7.635  -4.248
  524    HA   VAL  59           HA       VAL  59 106.950  -9.720  -3.766
  525    HB   VAL  59           HB       VAL  59 107.492  -7.455  -3.118
  526   HG11  VAL  59          HG11      VAL  59 106.218  -6.284  -1.366
  527   HG12  VAL  59          HG12      VAL  59 105.096  -7.642  -1.263
  528   HG13  VAL  59          HG13      VAL  59 105.186  -6.680  -2.738
  529   HG21  VAL  59          HG21      VAL  59 108.539  -8.048  -1.175
  530   HG22  VAL  59          HG22      VAL  59 107.871  -9.638  -1.537
  531   HG23  VAL  59          HG23      VAL  59 107.037  -8.568  -0.410
  532    H    GLY  60           HN       GLY  60 103.791  -8.893  -2.431
  533    HA2  GLY  60           HA2      GLY  60 103.851 -10.621  -0.195
  534    HA3  GLY  60           HA1      GLY  60 102.397 -10.013  -0.982
  535    H    ASP  61           HN       ASP  61 102.673 -11.091  -3.516
  536    HA   ASP  61           HA       ASP  61 101.816 -13.790  -3.066
  537    HB2  ASP  61           HB2      ASP  61 100.853 -12.380  -4.850
  538    HB3  ASP  61           HB1      ASP  61 102.417 -12.356  -5.663
  539    H    CYS  62           HN       CYS  62 104.698 -12.272  -4.437
  540    HA   CYS  62           HA       CYS  62 105.970 -14.611  -5.365
  541    HB2  CYS  62           HB2      CYS  62 107.101 -11.979  -4.400
  542    HB3  CYS  62           HB1      CYS  62 108.082 -13.249  -5.131
  543    HG   CYS  62           HG       CYS  62 106.215 -11.368  -6.636
  544    H    PHE  63           HN       PHE  63 105.874 -13.087  -2.185
  545    HA   PHE  63           HA       PHE  63 107.827 -14.915  -1.069
  546    HB2  PHE  63           HB2      PHE  63 106.264 -12.577  -0.103
  547    HB3  PHE  63           HB1      PHE  63 106.786 -13.755   1.100
  548    HD1  PHE  63           HD1      PHE  63 108.906 -13.506   2.031
  549    HD2  PHE  63           HD2      PHE  63 108.150 -11.940  -1.897
  550    HE1  PHE  63           HE1      PHE  63 111.199 -12.568   1.963
  551    HE2  PHE  63           HE2      PHE  63 110.445 -11.004  -1.965
  552    HZ   PHE  63           HZ       PHE  63 111.969 -11.317  -0.035
  553    H    GLN  64           HN       GLN  64 104.318 -14.436  -0.950
  554    HA   GLN  64           HA       GLN  64 103.778 -16.464   0.943
  555    HB2  GLN  64           HB2      GLN  64 102.156 -14.695   0.325
  556    HB3  GLN  64           HB1      GLN  64 101.991 -15.432  -1.268
  557    HG2  GLN  64           HG2      GLN  64 101.133 -17.485  -0.288
  558    HG3  GLN  64           HG1      GLN  64 101.421 -16.869   1.339
  559   HE21  GLN  64          HE21      GLN  64  98.806 -17.651   0.047
  560   HE22  GLN  64          HE22      GLN  64  97.827 -16.270   0.162
  561    H    ASP  65           HN       ASP  65 103.964 -16.485  -2.579
  562    HA   ASP  65           HA       ASP  65 103.091 -19.150  -2.959
  563    HB2  ASP  65           HB2      ASP  65 103.158 -17.622  -4.822
  564    HB3  ASP  65           HB1      ASP  65 104.891 -17.375  -4.606
  565    H    TYR  66           HN       TYR  66 106.384 -17.763  -2.822
  566    HA   TYR  66           HA       TYR  66 107.736 -20.242  -2.999
  567    HB2  TYR  66           HB2      TYR  66 108.864 -18.131  -3.458
  568    HB3  TYR  66           HB1      TYR  66 108.644 -17.629  -1.781
  569    HD1  TYR  66           HD1      TYR  66 109.949 -20.586  -3.699
  570    HD2  TYR  66           HD2      TYR  66 110.431 -17.975  -0.322
  571    HE1  TYR  66           HE1      TYR  66 112.035 -21.774  -3.078
  572    HE2  TYR  66           HE2      TYR  66 112.516 -19.164   0.300
  573    HH   TYR  66           HH       TYR  66 114.297 -20.584  -1.066
  574    H    TYR  67           HN       TYR  67 106.698 -18.294  -0.233
  575    HA   TYR  67           HA       TYR  67 107.868 -19.934   1.756
  576    HB2  TYR  67           HB2      TYR  67 107.183 -17.646   2.254
  577    HB3  TYR  67           HB1      TYR  67 105.503 -18.051   1.918
  578    HD1  TYR  67           HD1      TYR  67 104.173 -18.402   3.794
  579    HD2  TYR  67           HD2      TYR  67 108.332 -19.465   3.953
  580    HE1  TYR  67           HE1      TYR  67 103.893 -19.163   6.136
  581    HE2  TYR  67           HE2      TYR  67 108.048 -20.226   6.294
  582    HH   TYR  67           HH       TYR  67 106.660 -20.409   8.009
  583    H    ASN  68           HN       ASN  68 104.720 -19.935   0.174
  584    HA   ASN  68           HA       ASN  68 103.439 -21.795   1.844
  585    HB2  ASN  68           HB2      ASN  68 103.038 -20.993  -1.024
  586    HB3  ASN  68           HB1      ASN  68 102.050 -22.245  -0.274
  587   HD21  ASN  68          HD21      ASN  68 103.205 -19.687   1.803
  588   HD22  ASN  68          HD22      ASN  68 101.730 -18.858   1.932
  589    H    THR  69           HN       THR  69 105.418 -22.229  -1.060
  590    HA   THR  69           HA       THR  69 105.024 -24.916  -1.586
  591    HB   THR  69           HB       THR  69 107.302 -24.931  -2.534
  592    HG1  THR  69           HG1      THR  69 108.471 -23.833  -1.041
  593   HG21  THR  69          HG21      THR  69 105.259 -22.942  -3.062
  594   HG22  THR  69          HG22      THR  69 106.276 -23.825  -4.201
  595   HG23  THR  69          HG23      THR  69 106.857 -22.326  -3.480
  596    H    PHE  70           HN       PHE  70 106.541 -23.495   1.158
  597    HA   PHE  70           HA       PHE  70 107.840 -25.977   1.933
  598    HB2  PHE  70           HB2      PHE  70 107.746 -23.195   3.045
  599    HB3  PHE  70           HB1      PHE  70 108.250 -24.524   4.086
  600    HD1  PHE  70           HD1      PHE  70 109.193 -22.320   1.366
  601    HD2  PHE  70           HD2      PHE  70 110.168 -25.997   3.364
  602    HE1  PHE  70           HE1      PHE  70 111.444 -22.291   0.325
  603    HE2  PHE  70           HE2      PHE  70 112.421 -25.963   2.325
  604    HZ   PHE  70           HZ       PHE  70 113.058 -24.110   0.805
  605    H    GLY  71           HN       GLY  71 104.795 -25.412   1.751
  606    HA2  GLY  71           HA2      GLY  71 102.881 -25.805   2.997
  607    HA3  GLY  71           HA1      GLY  71 103.779 -27.244   3.470
  608    HA   PRO  72           HA       PRO  72 104.709 -24.229   7.022
  609    HB2  PRO  72           HB2      PRO  72 104.066 -21.603   6.808
  610    HB3  PRO  72           HB1      PRO  72 105.561 -22.282   6.138
  611    HG2  PRO  72           HG2      PRO  72 103.049 -21.516   4.754
  612    HG3  PRO  72           HG1      PRO  72 104.729 -21.384   4.215
  613    HD2  PRO  72           HD2      PRO  72 102.971 -23.401   3.436
  614    HD3  PRO  72           HD1      PRO  72 104.740 -23.480   3.333
  615    H    GLU  73           HN       GLU  73 103.419 -24.475   8.761
  616    HA   GLU  73           HA       GLU  73 100.529 -24.263   8.437
  617    HB2  GLU  73           HB2      GLU  73 101.517 -26.226   9.577
  618    HB3  GLU  73           HB1      GLU  73 102.162 -25.160  10.825
  619    HG2  GLU  73           HG2      GLU  73  99.909 -24.453  11.440
  620    HG3  GLU  73           HG1      GLU  73  99.222 -25.412  10.129
  621    H    LYS  74           HN       LYS  74 103.162 -22.487   9.783
  622    HA   LYS  74           HA       LYS  74 101.752 -21.010  11.751
  623    HB2  LYS  74           HB2      LYS  74 104.101 -19.909  10.230
  624    HB3  LYS  74           HB1      LYS  74 103.675 -19.682  11.928
  625    HG2  LYS  74           HG2      LYS  74 104.674 -22.245  10.637
  626    HG3  LYS  74           HG1      LYS  74 105.552 -21.249  11.796
  627    HD2  LYS  74           HD2      LYS  74 103.679 -21.680  13.445
  628    HD3  LYS  74           HD1      LYS  74 103.023 -22.843  12.290
  629    HE2  LYS  74           HE2      LYS  74 105.057 -24.159  12.373
  630    HE3  LYS  74           HE1      LYS  74 105.825 -22.969  13.426
  631    HZ1  LYS  74           HZ1      LYS  74 104.351 -23.464  15.162
  632    HZ2  LYS  74           HZ2      LYS  74 104.817 -24.976  14.543
  633    HZ3  LYS  74           HZ3      LYS  74 103.297 -24.327  14.151
  634    H    VAL  75           HN       VAL  75 102.571 -20.290   8.370
  635    HA   VAL  75           HA       VAL  75 102.007 -18.310   7.188
  636    HB   VAL  75           HB       VAL  75  99.433 -19.823   7.612
  637   HG11  VAL  75          HG11      VAL  75  99.210 -18.861   5.150
  638   HG12  VAL  75          HG12      VAL  75 100.304 -17.625   5.768
  639   HG13  VAL  75          HG13      VAL  75  98.739 -17.883   6.540
  640   HG21  VAL  75          HG21      VAL  75 101.016 -20.139   5.141
  641   HG22  VAL  75          HG22      VAL  75 100.222 -21.367   6.129
  642   HG23  VAL  75          HG23      VAL  75 101.812 -20.756   6.588
  643    HA   PRO  76           HA       PRO  76 100.537 -15.861  10.861
  644    HB2  PRO  76           HB2      PRO  76 102.152 -13.824   9.400
  645    HB3  PRO  76           HB1      PRO  76 102.157 -14.238  11.126
  646    HG2  PRO  76           HG2      PRO  76 104.148 -14.981   9.538
  647    HG3  PRO  76           HG1      PRO  76 103.553 -16.052  10.819
  648    HD2  PRO  76           HD2      PRO  76 103.058 -16.178   7.872
  649    HD3  PRO  76           HD1      PRO  76 103.314 -17.507   9.025
  650    H    VAL  77           HN       VAL  77  98.591 -14.971  10.759
  651    HA   VAL  77           HA       VAL  77  97.504 -14.061   8.217
  652    HB   VAL  77           HB       VAL  77  96.269 -14.261  10.971
  653   HG11  VAL  77          HG11      VAL  77  95.048 -12.554   9.891
  654   HG12  VAL  77          HG12      VAL  77  94.124 -14.019   9.559
  655   HG13  VAL  77          HG13      VAL  77  95.175 -13.340   8.316
  656   HG21  VAL  77          HG21      VAL  77  95.423 -16.333  10.290
  657   HG22  VAL  77          HG22      VAL  77  96.929 -16.337   9.368
  658   HG23  VAL  77          HG23      VAL  77  95.417 -15.875   8.587
  659    H    THR  78           HN       THR  78  99.054 -12.670  10.909
  660    HA   THR  78           HA       THR  78  97.903 -10.201  11.245
  661    HB   THR  78           HB       THR  78 100.142  -9.380  11.852
  662    HG1  THR  78           HG1      THR  78 101.832 -10.246  10.982
  663   HG21  THR  78          HG21      THR  78 100.735 -11.245  13.455
  664   HG22  THR  78          HG22      THR  78  99.496 -12.223  12.669
  665   HG23  THR  78          HG23      THR  78  99.046 -10.740  13.512
  666    H    ALA  79           HN       ALA  79  99.451 -11.435   8.427
  667    HA   ALA  79           HA       ALA  79 100.328  -9.111   7.168
  668    HB1  ALA  79           HB1      ALA  79  98.983 -11.402   5.742
  669    HB2  ALA  79           HB2      ALA  79 100.606 -11.535   6.419
  670    HB3  ALA  79           HB3      ALA  79 100.274 -10.357   5.148
  671    H    PHE  80           HN       PHE  80  97.128 -10.248   7.805
  672    HA   PHE  80           HA       PHE  80  95.757  -8.791   5.765
  673    HB2  PHE  80           HB2      PHE  80  94.742 -10.727   6.902
  674    HB3  PHE  80           HB1      PHE  80  94.731  -9.828   8.420
  675    HD1  PHE  80           HD1      PHE  80  92.829  -8.598   8.983
  676    HD2  PHE  80           HD2      PHE  80  93.622  -9.474   4.852
  677    HE1  PHE  80           HE1      PHE  80  90.674  -7.549   8.347
  678    HE2  PHE  80           HE2      PHE  80  91.467  -8.424   4.216
  679    HZ   PHE  80           HZ       PHE  80  89.993  -7.461   5.964
  680    H    SER  81           HN       SER  81  96.953  -8.022   8.953
  681    HA   SER  81           HA       SER  81  95.396  -5.652   9.332
  682    HB2  SER  81           HB2      SER  81  97.947  -6.655  10.601
  683    HB3  SER  81           HB1      SER  81  97.164  -5.148  11.071
  684    HG   SER  81           HG       SER  81  95.323  -7.067  10.943
  685    H    TYR  82           HN       TYR  82  98.566  -6.369   7.952
  686    HA   TYR  82           HA       TYR  82  99.512  -3.733   7.694
  687    HB2  TYR  82           HB2      TYR  82 100.117  -6.346   6.424
  688    HB3  TYR  82           HB1      TYR  82 100.663  -4.904   5.575
  689    HD1  TYR  82           HD1      TYR  82 102.331  -3.424   6.532
  690    HD2  TYR  82           HD2      TYR  82 100.963  -6.890   8.670
  691    HE1  TYR  82           HE1      TYR  82 104.226  -3.196   8.119
  692    HE2  TYR  82           HE2      TYR  82 102.853  -6.661  10.256
  693    HH   TYR  82           HH       TYR  82 104.566  -4.003  10.705
  694    H    TRP  83           HN       TRP  83  97.739  -5.786   5.378
  695    HA   TRP  83           HA       TRP  83  97.611  -3.896   3.296
  696    HB2  TRP  83           HB2      TRP  83  95.425  -5.887   3.863
  697    HB3  TRP  83           HB1      TRP  83  96.001  -5.299   2.302
  698    HD1  TRP  83           HD1      TRP  83  99.154  -5.633   3.356
  699    HE1  TRP  83           HE1      TRP  83 100.160  -8.000   3.209
  700    HE3  TRP  83           HE3      TRP  83  94.871  -8.399   3.067
  701    HZ2  TRP  83           HZ2      TRP  83  99.270 -10.710   2.998
  702    HZ3  TRP  83           HZ3      TRP  83  94.978 -10.869   2.894
  703    HH2  TRP  83           HH2      TRP  83  97.170 -12.026   2.859
  704    H    ASN  84           HN       ASN  84  95.351  -4.544   5.964
  705    HA   ASN  84           HA       ASN  84  93.384  -2.679   5.167
  706    HB2  ASN  84           HB2      ASN  84  94.096  -3.968   7.792
  707    HB3  ASN  84           HB1      ASN  84  92.816  -2.762   7.693
  708   HD21  ASN  84          HD21      ASN  84  91.840  -5.139   8.448
  709   HD22  ASN  84          HD22      ASN  84  91.102  -5.970   7.165
  710    H    LEU  85           HN       LEU  85  96.181  -2.354   7.370
  711    HA   LEU  85           HA       LEU  85  95.591   0.286   8.172
  712    HB2  LEU  85           HB2      LEU  85  97.079  -1.224   9.432
  713    HB3  LEU  85           HB1      LEU  85  98.239  -1.167   8.103
  714    HG   LEU  85           HG       LEU  85  98.381   1.303   8.362
  715   HD11  LEU  85          HD11      LEU  85  96.481   2.127   9.376
  716   HD12  LEU  85          HD12      LEU  85  97.481   1.949  10.816
  717   HD13  LEU  85          HD13      LEU  85  96.291   0.714  10.413
  718   HD21  LEU  85          HD21      LEU  85  98.900  -0.057  11.013
  719   HD22  LEU  85          HD22      LEU  85  99.822   1.245  10.260
  720   HD23  LEU  85          HD23      LEU  85  99.876  -0.383   9.581
  721    H    ILE  86           HN       ILE  86  98.186  -0.901   6.034
  722    HA   ILE  86           HA       ILE  86  98.982   1.569   5.055
  723    HB   ILE  86           HB       ILE  86  99.269  -1.227   4.157
  724   HG12  ILE  86          HG12      ILE  86 101.266   1.047   4.138
  725   HG13  ILE  86          HG11      ILE  86 100.849   0.192   5.625
  726   HG21  ILE  86          HG21      ILE  86 100.430  -0.309   2.046
  727   HG22  ILE  86          HG22      ILE  86  99.454   1.137   2.288
  728   HG23  ILE  86          HG23      ILE  86  98.668  -0.415   2.016
  729   HD11  ILE  86          HD11      ILE  86 101.845  -1.764   4.941
  730   HD12  ILE  86          HD12      ILE  86 102.853  -0.613   4.064
  731   HD13  ILE  86          HD13      ILE  86 101.539  -1.446   3.235
  732    H    LYS  87           HN       LYS  87  96.368  -0.541   4.004
  733    HA   LYS  87           HA       LYS  87  95.714   0.588   1.565
  734    HB2  LYS  87           HB2      LYS  87  94.445  -1.285   2.083
  735    HB3  LYS  87           HB1      LYS  87  94.116  -0.725   3.723
  736    HG2  LYS  87           HG2      LYS  87  92.520   0.884   2.975
  737    HG3  LYS  87           HG1      LYS  87  93.007   0.678   1.286
  738    HD2  LYS  87           HD2      LYS  87  92.173  -1.638   1.333
  739    HD3  LYS  87           HD1      LYS  87  91.714  -1.440   3.025
  740    HE2  LYS  87           HE2      LYS  87  90.147   0.338   2.431
  741    HE3  LYS  87           HE1      LYS  87  90.644   0.244   0.742
  742    HZ1  LYS  87           HZ1      LYS  87  89.905  -2.098   0.755
  743    HZ2  LYS  87           HZ2      LYS  87  88.640  -0.996   1.026
  744    HZ3  LYS  87           HZ3      LYS  87  89.298  -1.876   2.323
  745    H    GLU  88           HN       GLU  88  94.644   1.647   4.832
  746    HA   GLU  88           HA       GLU  88  93.186   3.842   3.702
  747    HB2  GLU  88           HB2      GLU  88  92.325   4.089   5.808
  748    HB3  GLU  88           HB1      GLU  88  92.898   2.432   5.939
  749    HG2  GLU  88           HG2      GLU  88  93.780   3.395   7.870
  750    HG3  GLU  88           HG1      GLU  88  95.134   3.520   6.758
  751    H    LEU  89           HN       LEU  89  96.433   3.278   4.721
  752    HA   LEU  89           HA       LEU  89  97.101   5.845   5.616
  753    HB2  LEU  89           HB2      LEU  89  98.402   3.564   5.599
  754    HB3  LEU  89           HB1      LEU  89  99.069   4.190   4.099
  755    HG   LEU  89           HG       LEU  89 100.540   4.834   5.912
  756   HD11  LEU  89          HD11      LEU  89 100.693   7.133   5.484
  757   HD12  LEU  89          HD12      LEU  89  98.945   7.315   5.358
  758   HD13  LEU  89          HD13      LEU  89  99.848   6.512   4.070
  759   HD21  LEU  89          HD21      LEU  89  99.821   5.451   7.978
  760   HD22  LEU  89          HD22      LEU  89  98.243   4.861   7.456
  761   HD23  LEU  89          HD23      LEU  89  98.634   6.573   7.314
  762    H    ILE  90           HN       ILE  90  97.329   4.373   2.400
  763    HA   ILE  90           HA       ILE  90  98.446   6.628   1.130
  764    HB   ILE  90           HB       ILE  90  96.792   4.331   0.040
  765   HG12  ILE  90          HG12      ILE  90  99.720   4.934   0.405
  766   HG13  ILE  90          HG11      ILE  90  98.841   3.457   0.768
  767   HG21  ILE  90          HG21      ILE  90  96.666   6.393  -1.441
  768   HG22  ILE  90          HG22      ILE  90  97.473   5.040  -2.205
  769   HG23  ILE  90          HG23      ILE  90  98.425   6.362  -1.533
  770   HD11  ILE  90          HD11      ILE  90  98.446   3.320  -1.803
  771   HD12  ILE  90          HD12      ILE  90 100.047   2.903  -1.197
  772   HD13  ILE  90          HD13      ILE  90  99.762   4.488  -1.912
  773    H    ASP  91           HN       ASP  91  95.086   5.569   1.594
  774    HA   ASP  91           HA       ASP  91  93.662   7.222  -0.014
  775    HB2  ASP  91           HB2      ASP  91  93.133   6.508   2.870
  776    HB3  ASP  91           HB1      ASP  91  91.958   7.344   1.861
  777    H    LYS  92           HN       LYS  92  95.753   8.196   2.523
  778    HA   LYS  92           HA       LYS  92  94.599  10.776   3.010
  779    HB2  LYS  92           HB2      LYS  92  97.297   9.568   3.605
  780    HB3  LYS  92           HB1      LYS  92  96.900  11.238   4.010
  781    HG2  LYS  92           HG2      LYS  92  94.953  10.440   5.322
  782    HG3  LYS  92           HG1      LYS  92  95.399   8.775   4.951
  783    HD2  LYS  92           HD2      LYS  92  97.573   9.100   6.069
  784    HD3  LYS  92           HD1      LYS  92  97.139  10.773   6.428
  785    HE2  LYS  92           HE2      LYS  92  95.213   9.993   7.757
  786    HE3  LYS  92           HE1      LYS  92  95.646   8.320   7.405
  787    HZ1  LYS  92           HZ1      LYS  92  97.910   8.978   8.377
  788    HZ2  LYS  92           HZ2      LYS  92  96.620   8.709   9.450
  789    HZ3  LYS  92           HZ3      LYS  92  97.084  10.295   9.057
  790    H    LYS  93           HN       LYS  93  95.172  12.755   2.183
  791    HA   LYS  93           HA       LYS  93  96.384  12.711  -0.463
  792    HB2  LYS  93           HB2      LYS  93  95.079  14.916   1.144
  793    HB3  LYS  93           HB1      LYS  93  95.729  15.130  -0.482
  794    HG2  LYS  93           HG2      LYS  93  94.215  13.357  -1.313
  795    HG3  LYS  93           HG1      LYS  93  93.551  13.174   0.311
  796    HD2  LYS  93           HD2      LYS  93  92.833  15.548   0.271
  797    HD3  LYS  93           HD1      LYS  93  93.456  15.695  -1.373
  798    HE2  LYS  93           HE2      LYS  93  91.897  13.975  -2.151
  799    HE3  LYS  93           HE1      LYS  93  91.303  13.741  -0.507
  800    HZ1  LYS  93           HZ1      LYS  93  90.196  15.713  -0.521
  801    HZ2  LYS  93           HZ2      LYS  93  90.091  15.334  -2.175
  802    HZ3  LYS  93           HZ3      LYS  93  91.254  16.446  -1.627
  803    H    GLU  94           HN       GLU  94  97.512  12.989   2.646
  804    HA   GLU  94           HA       GLU  94  99.420  15.095   2.352
  805    HB2  GLU  94           HB2      GLU  94  99.208  12.788   4.292
  806    HB3  GLU  94           HB1      GLU  94 100.462  14.025   4.389
  807    HG2  GLU  94           HG2      GLU  94  98.790  15.772   4.630
  808    HG3  GLU  94           HG1      GLU  94  97.489  14.609   4.387
  809    H    VAL  95           HN       VAL  95  99.607  13.541   0.076
  810    HA   VAL  95           HA       VAL  95 102.249  12.245   0.406
  811    HB   VAL  95           HB       VAL  95 101.673  10.753  -1.433
  812   HG11  VAL  95          HG11      VAL  95 101.050  10.080   0.859
  813   HG12  VAL  95          HG12      VAL  95  99.887   9.467  -0.317
  814   HG13  VAL  95          HG13      VAL  95  99.487  10.873   0.669
  815   HG21  VAL  95          HG21      VAL  95 100.239  11.945  -2.854
  816   HG22  VAL  95          HG22      VAL  95  99.232  12.513  -1.523
  817   HG23  VAL  95          HG23      VAL  95  99.116  10.840  -2.064
  818    H    ASN  96           HN       ASN  96 103.861  13.039  -0.792
  819    HA   ASN  96           HA       ASN  96 103.204  15.131  -2.766
  820    HB2  ASN  96           HB2      ASN  96 105.982  15.083  -2.232
  821    HB3  ASN  96           HB1      ASN  96 104.809  16.294  -1.724
  822   HD21  ASN  96          HD21      ASN  96 106.857  13.730  -0.623
  823   HD22  ASN  96          HD22      ASN  96 106.341  13.731   0.995
  824    HA   PRO  97           HA       PRO  97 104.690  13.222  -6.432
  825    HB2  PRO  97           HB2      PRO  97 107.193  14.843  -6.197
  826    HB3  PRO  97           HB1      PRO  97 106.127  14.613  -7.594
  827    HG2  PRO  97           HG2      PRO  97 106.092  16.832  -6.058
  828    HG3  PRO  97           HG1      PRO  97 104.672  16.220  -6.918
  829    HD2  PRO  97           HD2      PRO  97 105.184  16.296  -4.040
  830    HD3  PRO  97           HD1      PRO  97 103.662  15.987  -4.898
  831    H    GLN  98           HN       GLN  98 106.619  13.296  -3.582
  832    HA   GLN  98           HA       GLN  98 108.849  11.829  -3.999
  833    HB2  GLN  98           HB2      GLN  98 108.775  11.198  -1.763
  834    HB3  GLN  98           HB1      GLN  98 107.640  12.545  -1.771
  835    HG2  GLN  98           HG2      GLN  98 105.847  10.746  -2.302
  836    HG3  GLN  98           HG1      GLN  98 107.051   9.591  -1.729
  837   HE21  GLN  98          HE21      GLN  98 104.583  10.009  -0.329
  838   HE22  GLN  98          HE22      GLN  98 104.941  10.725   1.168
  839    H    VAL  99           HN       VAL  99 105.629  10.775  -4.567
  840    HA   VAL  99           HA       VAL  99 105.998   7.974  -4.469
  841    HB   VAL  99           HB       VAL  99 104.123   9.631  -6.168
  842   HG11  VAL  99          HG11      VAL  99 104.123   7.508  -7.176
  843   HG12  VAL  99          HG12      VAL  99 102.805   7.389  -6.011
  844   HG13  VAL  99          HG13      VAL  99 104.376   6.676  -5.642
  845   HG21  VAL  99          HG21      VAL  99 102.521   9.279  -4.411
  846   HG22  VAL  99          HG22      VAL  99 103.996   9.860  -3.640
  847   HG23  VAL  99          HG23      VAL  99 103.588   8.145  -3.585
  848    H    MET 100           HN       MET 100 106.325  10.326  -7.123
  849    HA   MET 100           HA       MET 100 107.029   8.393  -9.101
  850    HB2  MET 100           HB2      MET 100 107.457  11.379  -8.968
  851    HB3  MET 100           HB1      MET 100 107.806  10.395 -10.388
  852    HG2  MET 100           HG2      MET 100 105.444   9.624 -10.409
  853    HG3  MET 100           HG1      MET 100 105.104  10.678  -9.038
  854    HE1  MET 100           HE1      MET 100 105.190  14.174 -10.244
  855    HE2  MET 100           HE2      MET 100 106.669  13.446  -9.631
  856    HE3  MET 100           HE3      MET 100 105.117  12.995  -8.929
  857    H    ALA 101           HN       ALA 101 108.905  10.469  -6.932
  858    HA   ALA 101           HA       ALA 101 111.453   9.987  -8.033
  859    HB1  ALA 101           HB1      ALA 101 111.877  10.270  -5.279
  860    HB2  ALA 101           HB2      ALA 101 110.364  11.139  -5.587
  861    HB3  ALA 101           HB3      ALA 101 111.822  11.583  -6.465
  862    H    ALA 102           HN       ALA 102 109.357   7.975  -6.199
  863    HA   ALA 102           HA       ALA 102 111.467   6.182  -5.296
  864    HB1  ALA 102           HB1      ALA 102 109.894   5.532  -3.846
  865    HB2  ALA 102           HB2      ALA 102 108.879   4.983  -5.182
  866    HB3  ALA 102           HB3      ALA 102 108.758   6.647  -4.612
  867    H    VAL 103           HN       VAL 103 108.987   6.275  -7.820
  868    HA   VAL 103           HA       VAL 103 108.967   3.753  -8.832
  869    HB   VAL 103           HB       VAL 103 109.060   6.392 -10.286
  870   HG11  VAL 103          HG11      VAL 103 108.098   4.891 -12.197
  871   HG12  VAL 103          HG12      VAL 103 108.947   3.590 -11.363
  872   HG13  VAL 103          HG13      VAL 103 109.844   4.981 -11.974
  873   HG21  VAL 103          HG21      VAL 103 107.104   5.376  -8.771
  874   HG22  VAL 103          HG22      VAL 103 106.748   4.500 -10.260
  875   HG23  VAL 103          HG23      VAL 103 106.753   6.264 -10.253
  876    H    ALA 104           HN       ALA 104 111.684   5.860  -8.666
  877    HA   ALA 104           HA       ALA 104 113.321   5.011 -10.731
  878    HB1  ALA 104           HB1      ALA 104 113.710   6.178  -8.056
  879    HB2  ALA 104           HB2      ALA 104 114.456   6.608  -9.596
  880    HB3  ALA 104           HB3      ALA 104 115.090   5.256  -8.658
  881    H    GLN 105           HN       GLN 105 111.944   3.104  -8.375
  882    HA   GLN 105           HA       GLN 105 112.455   1.030  -7.453
  883    HB2  GLN 105           HB2      GLN 105 111.611   0.507  -9.701
  884    HB3  GLN 105           HB1      GLN 105 113.246   0.630 -10.347
  885    HG2  GLN 105           HG2      GLN 105 113.985  -1.247  -9.005
  886    HG3  GLN 105           HG1      GLN 105 112.448  -1.293  -8.145
  887   HE21  GLN 105          HE21      GLN 105 113.452  -3.568  -9.588
  888   HE22  GLN 105          HE22      GLN 105 112.416  -3.852 -10.902
  889    H    THR 106           HN       THR 106 114.933   0.584  -9.864
  890    HA   THR 106           HA       THR 106 116.980   0.657  -7.731
  891    HB   THR 106           HB       THR 106 118.190  -1.010  -9.213
  892    HG1  THR 106           HG1      THR 106 115.893  -1.890 -10.331
  893   HG21  THR 106          HG21      THR 106 115.807  -1.406  -7.541
  894   HG22  THR 106          HG22      THR 106 117.365  -2.231  -7.493
  895   HG23  THR 106          HG23      THR 106 116.130  -2.748  -8.639
  896    H    GLU 107           HN       GLU 107 115.921   1.979 -10.682
  897    HA   GLU 107           HA       GLU 107 118.458   3.449 -10.941
  898    HB2  GLU 107           HB2      GLU 107 117.012   2.081 -13.222
  899    HB3  GLU 107           HB1      GLU 107 118.358   3.207 -13.407
  900    HG2  GLU 107           HG2      GLU 107 119.791   1.724 -12.038
  901    HG3  GLU 107           HG1      GLU 107 118.454   0.587 -11.878
  902    H    GLU 108           HN       GLU 108 118.254   5.479 -12.068
  903    HA   GLU 108           HA       GLU 108 115.727   6.768 -11.540
  904    HB2  GLU 108           HB2      GLU 108 118.291   7.761 -12.800
  905    HB3  GLU 108           HB1      GLU 108 116.893   8.784 -12.462
  906    HG2  GLU 108           HG2      GLU 108 117.043   8.251 -10.078
  907    HG3  GLU 108           HG1      GLU 108 118.381   7.146 -10.386
  908    H    ILE 109           HN       ILE 109 114.075   6.927 -12.909
  909    HA   ILE 109           HA       ILE 109 113.818   5.712 -15.333
  910    HB   ILE 109           HB       ILE 109 111.982   7.328 -15.813
  911   HG12  ILE 109          HG12      ILE 109 113.017   8.777 -13.346
  912   HG13  ILE 109          HG11      ILE 109 113.219   9.356 -14.998
  913   HG21  ILE 109          HG21      ILE 109 111.437   5.531 -14.292
  914   HG22  ILE 109          HG22      ILE 109 110.757   7.000 -13.599
  915   HG23  ILE 109          HG23      ILE 109 112.258   6.339 -12.954
  916   HD11  ILE 109          HD11      ILE 109 110.451   8.682 -14.538
  917   HD12  ILE 109          HD12      ILE 109 111.151  10.234 -14.998
  918   HD13  ILE 109          HD13      ILE 109 111.012   9.799 -13.295
  919    H    LEU 110           HN       LEU 110 115.464   8.698 -14.655
  920    HA   LEU 110           HA       LEU 110 115.576   9.717 -17.299
  921    HB2  LEU 110           HB2      LEU 110 117.442  10.108 -14.943
  922    HB3  LEU 110           HB1      LEU 110 117.504  11.050 -16.435
  923    HG   LEU 110           HG       LEU 110 115.088  10.836 -14.615
  924   HD11  LEU 110          HD11      LEU 110 115.742  13.386 -14.387
  925   HD12  LEU 110          HD12      LEU 110 117.350  12.792 -14.804
  926   HD13  LEU 110          HD13      LEU 110 116.523  12.171 -13.375
  927   HD21  LEU 110          HD21      LEU 110 115.594  12.054 -17.282
  928   HD22  LEU 110          HD22      LEU 110 114.701  13.053 -16.135
  929   HD23  LEU 110          HD23      LEU 110 114.089  11.460 -16.581
  930    H    LYS 111           HN       LYS 111 117.688   7.567 -15.451
  931    HA   LYS 111           HA       LYS 111 119.218   7.039 -17.926
  932    HB2  LYS 111           HB2      LYS 111 120.306   7.949 -15.677
  933    HB3  LYS 111           HB1      LYS 111 120.258   6.240 -15.240
  934    HG2  LYS 111           HG2      LYS 111 121.493   5.669 -17.294
  935    HG3  LYS 111           HG1      LYS 111 121.496   7.355 -17.776
  936    HD2  LYS 111           HD2      LYS 111 122.772   7.959 -15.771
  937    HD3  LYS 111           HD1      LYS 111 122.795   6.267 -15.274
  938    HE2  LYS 111           HE2      LYS 111 124.026   5.657 -17.298
  939    HE3  LYS 111           HE1      LYS 111 123.946   7.321 -17.876
  940    HZ1  LYS 111           HZ1      LYS 111 125.744   6.145 -16.005
  941    HZ2  LYS 111           HZ2      LYS 111 124.969   7.505 -15.345
  942    HZ3  LYS 111           HZ3      LYS 111 125.842   7.641 -16.797
  943    H    SER 112           HN       SER 112 116.855   5.754 -17.802
  944    HA   SER 112           HA       SER 112 116.773   3.315 -16.409
  945    HB2  SER 112           HB2      SER 112 115.065   2.658 -18.017
  946    HB3  SER 112           HB1      SER 112 114.830   4.342 -17.560
  947    HG   SER 112           HG       SER 112 115.353   4.949 -19.522
  948    H    ASN 113           HN       ASN 113 118.598   4.299 -19.161
  949    HA   ASN 113           HA       ASN 113 119.006   1.834 -20.452
  950    HB2  ASN 113           HB2      ASN 113 120.988   4.108 -20.175
  951    HB3  ASN 113           HB1      ASN 113 120.990   2.855 -21.415
  952   HD21  ASN 113          HD21      ASN 113 120.578   5.905 -21.581
  953   HD22  ASN 113          HD22      ASN 113 119.135   6.072 -22.459
  954    H    SER 114           HN       SER 114 120.742   3.372 -17.768
  955    HA   SER 114           HA       SER 114 121.418   0.997 -16.466
  956    HB2  SER 114           HB2      SER 114 122.879   0.295 -18.154
  957    HB3  SER 114           HB1      SER 114 123.430   1.933 -18.494
  958    HG   SER 114           HG       SER 114 123.838   0.786 -15.958
  959    H    GLN 115           HN       GLN 115 122.539   1.371 -14.537
  960    HA   GLN 115           HA       GLN 115 123.224   2.618 -12.731
  961    HB2  GLN 115           HB2      GLN 115 124.430   4.339 -14.927
  962    HB3  GLN 115           HB1      GLN 115 124.806   4.470 -13.208
  963    HG2  GLN 115           HG2      GLN 115 125.613   2.167 -13.158
  964    HG3  GLN 115           HG1      GLN 115 125.187   1.956 -14.856
  965   HE21  GLN 115          HE21      GLN 115 127.695   1.452 -14.820
  966   HE22  GLN 115          HE22      GLN 115 128.712   2.779 -15.110
  967    H    THR 116           HN       THR 116 123.542   5.456 -12.544
  968    HA   THR 116           HA       THR 116 120.776   6.403 -12.967
  969    HB   THR 116           HB       THR 116 120.846   7.505 -10.810
  970    HG1  THR 116           HG1      THR 116 122.774   7.980 -10.153
  971   HG21  THR 116          HG21      THR 116 121.743   4.617 -10.626
  972   HG22  THR 116          HG22      THR 116 120.085   5.172 -10.849
  973   HG23  THR 116          HG23      THR 116 120.935   5.517  -9.343
  974    H    ASP 117           HN       ASP 117 120.680   8.859 -12.702
  975    HA   ASP 117           HA       ASP 117 121.968  10.185 -14.674
  976    HB2  ASP 117           HB2      ASP 117 121.089  11.200 -11.973
  977    HB3  ASP 117           HB1      ASP 117 121.713  12.278 -13.220
  978    H    LEU 118           HN       LEU 118 123.366   9.154 -11.686
  979    HA   LEU 118           HA       LEU 118 125.813  10.697 -12.252
  980    HB2  LEU 118           HB2      LEU 118 125.015   9.242  -9.720
  981    HB3  LEU 118           HB1      LEU 118 126.443  10.255  -9.937
  982    HG   LEU 118           HG       LEU 118 123.574  11.198 -10.216
  983   HD11  LEU 118          HD11      LEU 118 123.971  10.841  -7.901
  984   HD12  LEU 118          HD12      LEU 118 124.268  12.561  -8.156
  985   HD13  LEU 118          HD13      LEU 118 125.625  11.444  -8.012
  986   HD21  LEU 118          HD21      LEU 118 126.249  12.438 -10.721
  987   HD22  LEU 118          HD22      LEU 118 125.000  13.451  -9.996
  988   HD23  LEU 118          HD23      LEU 118 124.719  12.689 -11.561
  989    H    GLU 119           HN       GLU 119 127.558   9.641 -13.013
  990    HA   GLU 119           HA       GLU 119 127.452   6.854 -13.614
  991    HB2  GLU 119           HB2      GLU 119 129.719   8.868 -13.743
  992    HB3  GLU 119           HB1      GLU 119 129.823   7.218 -14.356
  993    HG2  GLU 119           HG2      GLU 119 129.200   8.414 -16.271
  994    HG3  GLU 119           HG1      GLU 119 127.646   7.835 -15.680
  995    H    HIS 120           HN       HIS 120 128.804   8.766 -11.019
  996    HA   HIS 120           HA       HIS 120 129.901   6.299  -9.805
  997    HB2  HIS 120           HB2      HIS 120 130.785   9.176  -9.574
  998    HB3  HIS 120           HB1      HIS 120 131.323   7.919  -8.460
  999    HD1  HIS 120           HD1      HIS 120 132.645   5.869  -9.557
 1000    HD2  HIS 120           HD2      HIS 120 132.095   9.166 -12.048
 1001    HE1  HIS 120           HE1      HIS 120 134.256   5.583 -11.490
 1002    HE2  HIS 120           HE2      HIS 120 133.933   7.585 -13.018
 1003    H    HIS 121           HN       HIS 121 129.632   6.023  -7.544
 1004    HA   HIS 121           HA       HIS 121 127.288   7.466  -6.460
 1005    HB2  HIS 121           HB2      HIS 121 128.287   4.653  -5.991
 1006    HB3  HIS 121           HB1      HIS 121 127.038   5.414  -5.005
 1007    HD1  HIS 121           HD1      HIS 121 127.684   4.073  -8.453
 1008    HD2  HIS 121           HD2      HIS 121 124.536   5.775  -6.314
 1009    HE1  HIS 121           HE1      HIS 121 125.601   3.734  -9.853
 1010    HE2  HIS 121           HE2      HIS 121 123.673   4.765  -8.563
 1011    H    HIS 122           HN       HIS 122 127.292   8.069  -4.267
 1012    HA   HIS 122           HA       HIS 122 129.768   9.040  -3.288
 1013    HB2  HIS 122           HB2      HIS 122 127.026   8.777  -2.057
 1014    HB3  HIS 122           HB1      HIS 122 128.392   9.456  -1.171
 1015    HD1  HIS 122           HD1      HIS 122 129.557  11.600  -2.309
 1016    HD2  HIS 122           HD2      HIS 122 125.830  10.546  -3.851
 1017    HE1  HIS 122           HE1      HIS 122 128.732  13.603  -3.623
 1018    HE2  HIS 122           HE2      HIS 122 126.461  12.975  -4.569
 1019    H    HIS 123           HN       HIS 123 127.753   6.264  -2.383
 1020    HA   HIS 123           HA       HIS 123 129.203   5.413  -0.141
 1021    HB2  HIS 123           HB2      HIS 123 127.571   3.886  -2.172
 1022    HB3  HIS 123           HB1      HIS 123 128.267   3.129  -0.738
 1023    HD1  HIS 123           HD1      HIS 123 125.883   5.932  -1.692
 1024    HD2  HIS 123           HD2      HIS 123 126.808   3.546   1.599
 1025    HE1  HIS 123           HE1      HIS 123 124.138   6.438   0.074
 1026    HE2  HIS 123           HE2      HIS 123 124.689   4.992   2.086
 1027    H    HIS 124           HN       HIS 124 129.652   4.721  -3.587
 1028    HA   HIS 124           HA       HIS 124 131.679   2.789  -3.350
 1029    HB2  HIS 124           HB2      HIS 124 130.523   3.237  -5.463
 1030    HB3  HIS 124           HB1      HIS 124 131.248   4.843  -5.533
 1031    HD1  HIS 124           HD1      HIS 124 132.350   1.193  -5.402
 1032    HD2  HIS 124           HD2      HIS 124 133.731   4.886  -6.753
 1033    HE1  HIS 124           HE1      HIS 124 134.516   0.740  -6.636
 1034    HE2  HIS 124           HE2      HIS 124 135.370   2.982  -7.466
 1035    H    HIS 125           HN       HIS 125 131.863   6.329  -3.581
 1036    HA   HIS 125           HA       HIS 125 134.328   6.377  -2.102
 1037    HB2  HIS 125           HB2      HIS 125 135.183   5.766  -4.337
 1038    HB3  HIS 125           HB1      HIS 125 134.402   7.193  -5.018
 1039    HD1  HIS 125           HD1      HIS 125 136.779   6.496  -2.100
 1040    HD2  HIS 125           HD2      HIS 125 136.158   9.310  -5.113
 1041    HE1  HIS 125           HE1      HIS 125 138.624   8.215  -1.865
 1042    HE2  HIS 125           HE2      HIS 125 138.260   9.938  -3.695