*HEADER    ANTIMICROBIAL PROTEIN                   30-AUG-18   6MBM              
*TITLE     HS02 - INTRAGENIC ANTIMICROBIAL PEPTIDES DERIVED FROM THE PROTEIN     
*TITLE    2 UNCONVENTIONAL MYOSIN 1H                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCONVENTIONAL MYOSIN-IH PEPTIDE;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 751-766;                                          
*COMPND   5 SYNONYM: MYOSIN-1H;                                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PRO-INFLAMMATORY MEDIATORS, MIGRATION OF FIBROBLASTS, ANTIMICROBIAL   
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.A.SANTOS,G.D.BRAND,A.L.OLIVEIRA                                     
*REVDAT   1   14-AUG-19 6MBM    0                                                
# Restraints file 1: restrainfile_Hs02.txt
assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 2.6 0.8 0.8 volume=22.317 peak=1 ppm1=8.453 ppm2=3.736

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.6 0.9 0.9 volume=21.556 peak=2 ppm1=8.434 ppm2=3.562

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.5 0.8 0.8 volume=25.316 peak=3 ppm1=8.165 ppm2=3.839

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.6 0.9 0.9 volume=21.106 peak=4 ppm1=8.076 ppm2=4.239

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 2.5 0.8 0.8 volume=33.223 peak=5 ppm1=7.844 ppm2=4.228

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 2.5 0.8 0.8 volume=26.402 peak=6 ppm1=7.803 ppm2=4.183

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 1.0 1.0 volume=11.778 peak=7 ppm1=7.875 ppm2=3.856

assign ( resid 4 and name H
	 )
       ( resid 4 and name HA
	 ) 3.0 1.2 1.2 volume=9.239 peak=8 ppm1=7.917 ppm2=3.413

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB2
	 or resid 16 and name HB3
	 ) 2.3 0.6 0.6 volume=44.157 peak=9 ppm1=7.806 ppm2=3.755

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA
	 ) 2.4 0.7 0.7 volume=38.586 peak=10 ppm1=7.785 ppm2=3.855

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 2.6 0.8 0.8 volume=25.808 peak=11 ppm1=7.632 ppm2=3.872

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 3.1 1.2 1.2 volume=7.154 peak=12 ppm1=7.576 ppm2=3.694

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 3.0 1.1 1.1 volume=10.151 peak=13 ppm1=7.888 ppm2=3.578

assign ( resid 2 and name H
	 )
       ( resid 2 and name HA
	 ) 2.2 0.6 0.6 volume=62.501 peak=14 ppm1=7.805 ppm2=4.637

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB2
	 ) 2.5 0.8 0.8 volume=28.860 peak=15 ppm1=7.844 ppm2=2.908

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.5 0.8 0.8 volume=29.137 peak=16 ppm1=7.842 ppm2=2.743

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG2#
	 ) 2.4 0.7 0.7 volume=34.776 peak=17 ppm1=7.791 ppm2=0.829

assign ( resid 11 and name H
	 )
       ( resid 12 and name H
	 ) 2.8 1.0 1.0 volume=12.918 peak=18 ppm1=8.433 ppm2=8.168

assign ( resid 11 and name H
	 )
       ( resid 10 and name H
	 ) 2.8 1.0 1.0 volume=12.879 peak=19 ppm1=8.431 ppm2=8.078

assign ( resid 3 and name H
	 )
       ( resid 3 and name HB#
	 ) 2.9 1.0 1.0 volume=11.763 peak=20 ppm1=8.348 ppm2=1.059

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 3.3 1.3 1.3 volume=5.936 peak=21 ppm1=8.352 ppm2=3.755

assign ( resid 8 and name H
	 )
       ( resid 7 and name H
	 ) 3.0 1.1 1.1 volume=9.234 peak=22 ppm1=8.454 ppm2=7.890

assign ( resid 8 and name H
	 )
       ( resid 9 and name H
	 ) 2.9 1.0 1.0 volume=11.879 peak=23 ppm1=8.454 ppm2=7.635

assign ( resid 12 and name H
	 )
       ( resid 13 and name H
	 ) 2.8 1.0 1.0 volume=12.561 peak=24 ppm1=8.165 ppm2=7.817

assign ( resid 10 and name H
	 )
       ( resid 9 and name H
	 ) 2.9 1.1 1.1 volume=11.691 peak=25 ppm1=8.075 ppm2=7.633

assign ( resid 12 and name H
	 )
       ( resid 11 and name H
	 ) 2.8 1.0 1.0 volume=15.162 peak=26 ppm1=8.163 ppm2=8.434

assign ( resid 10 and name H
	 )
       ( resid 11 and name H
	 ) 2.9 1.0 1.0 volume=12.418 peak=27 ppm1=8.079 ppm2=8.434

assign ( resid 13 and name H
	 )
       ( resid 12 and name H
	 ) 3.0 1.1 1.1 volume=9.810 peak=28 ppm1=7.817 ppm2=8.164

assign ( resid 9 and name H
	 )
       ( resid 8 and name H
	 ) 2.9 1.0 1.0 volume=12.844 peak=29 ppm1=7.632 ppm2=8.453

assign ( resid 9 and name H
	 )
       ( resid 10 and name H
	 ) 2.9 1.0 1.0 volume=12.402 peak=30 ppm1=7.633 ppm2=8.078

assign ( resid 7 and name H
	 )
       ( resid 8 and name H
	 ) 3.2 1.3 1.3 volume=6.861 peak=31 ppm1=7.882 ppm2=8.453

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.2 1.3 1.3 volume=5.734 peak=32 ppm1=7.885 ppm2=7.591

assign ( resid 6 and name H
	 )
       ( resid 7 and name H
	 ) 3.3 1.3 1.3 volume=4.945 peak=33 ppm1=7.574 ppm2=7.886

assign ( resid 11 and name H
	 )
       ( resid 10 and name HA
	 ) 3.0 1.1 1.1 volume=9.322 peak=34 ppm1=8.431 ppm2=4.237

assign ( resid 8 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 1.1 1.1 volume=11.027 peak=35 ppm1=8.450 ppm2=3.860

assign ( resid 12 and name H
	 )
       ( resid 10 and name HA
	 ) 3.4 1.4 1.4 volume=4.489 peak=36 ppm1=8.164 ppm2=4.236

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 3.0 1.1 1.1 volume=10.025 peak=37 ppm1=8.077 ppm2=3.870

assign ( resid 12 and name H
	 )
       ( resid 8 and name HA
	 ) 3.0 1.1 1.1 volume=8.982 peak=38 ppm1=8.163 ppm2=3.734

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 3.0 1.1 1.1 volume=10.290 peak=39 ppm1=8.165 ppm2=3.558

assign ( resid 10 and name H
	 )
       ( resid 7 and name HA
	 ) 2.9 1.0 1.0 volume=12.252 peak=40 ppm1=8.077 ppm2=3.573

assign ( resid 4 and name H
	 )
       ( resid 3 and name HA
	 ) 3.0 1.1 1.1 volume=8.495 peak=41 ppm1=7.920 ppm2=3.754

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 3.2 1.3 1.3 volume=6.681 peak=42 ppm1=7.878 ppm2=3.413

assign ( resid 9 and name H
	 )
       ( resid 6 and name HA
	 ) 2.9 1.0 1.0 volume=11.905 peak=43 ppm1=7.631 ppm2=3.693

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=11.321 peak=44 ppm1=7.633 ppm2=3.730

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HD1
	 ) 2.5 0.8 0.8 volume=31.897 peak=45 ppm1=10.616 ppm2=7.310

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB3
	 ) 2.4 0.7 0.7 volume=38.566 peak=46 ppm1=8.076 ppm2=3.121

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB2
	 ) 2.7 0.9 0.9 volume=16.312 peak=47 ppm1=7.783 ppm2=2.908

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.8 1.0 1.0 volume=13.415 peak=48 ppm1=7.783 ppm2=2.740

assign ( resid 10 and name HB2
	 or resid 10 and name HB3
	 )
       ( resid 10 and name HA
	 ) 2.3 0.7 0.7 volume=41.826 peak=49 ppm1=3.122 ppm2=4.241

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 2.7 0.9 0.9 volume=17.152 peak=50 ppm1=4.237 ppm2=3.122

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HA
	 ) 2.4 0.7 0.7 volume=41.135 peak=51 ppm1=2.902 ppm2=4.228

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HA
	 ) 2.4 0.7 0.7 volume=42.559 peak=52 ppm1=2.741 ppm2=4.226

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB3
	 ) 2.8 1.0 1.0 volume=13.841 peak=53 ppm1=4.223 ppm2=2.741

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB2
	 ) 2.8 1.0 1.0 volume=14.225 peak=54 ppm1=4.222 ppm2=2.907

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HB3
	 ) 2.1 0.6 0.6 volume=68.111 peak=55 ppm1=2.902 ppm2=2.742

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HB2
	 ) 2.1 0.6 0.6 volume=73.552 peak=56 ppm1=2.741 ppm2=2.906

assign ( resid 16 and name HB2
	 or resid 16 and name HB3
	 )
       ( resid 16 and name HA
	 ) 2.2 0.6 0.6 volume=69.211 peak=57 ppm1=3.768 ppm2=4.179

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB2
	 or resid 16 and name HB3
	 ) 2.3 0.6 0.6 volume=47.713 peak=58 ppm1=4.178 ppm2=3.769

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HA
	 ) 2.2 0.6 0.6 volume=67.285 peak=59 ppm1=1.823 ppm2=3.870

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HA
	 ) 2.6 0.9 0.9 volume=22.608 peak=60 ppm1=1.531 ppm2=3.868

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HA
	 ) 2.7 0.9 0.9 volume=16.961 peak=61 ppm1=1.396 ppm2=3.868

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HA
	 ) 2.8 1.0 1.0 volume=14.846 peak=62 ppm1=1.266 ppm2=3.871

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HE3
	 or resid 9 and name HE2
	 ) 3.2 1.3 1.3 volume=6.932 peak=63 ppm1=3.879 ppm2=2.804

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HE2
	 ) 3.3 1.4 1.4 volume=7.297 peak=64 ppm1=1.830 ppm2=2.802

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HE3
	 ) 3.3 1.4 1.4 volume=7.297 peak=64 ppm1=1.830 ppm2=2.802

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HE3
	 ) 2.2 0.6 0.6 volume=62.751 peak=65 ppm1=1.530 ppm2=2.800

assign ( resid 9 and name HD2
	 )
       ( resid 9 and name HE2
	 ) 2.2 0.6 0.6 volume=62.751 peak=65 ppm1=1.530 ppm2=2.800

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HE2
	 ) 2.9 1.0 1.0 volume=14.629 peak=66 ppm1=1.398 ppm2=2.802

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HE3
	 or resid 9 and name HE2
	 ) 2.6 0.9 0.9 volume=21.787 peak=67 ppm1=1.265 ppm2=2.803

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.0 0.5 0.5 volume=94.513 peak=68 ppm1=3.870 ppm2=1.826

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HB2
	 ) 2.8 1.0 1.0 volume=16.594 peak=69 ppm1=2.798 ppm2=1.815

assign ( resid 9 and name HE2
	 )
       ( resid 9 and name HB3
	 ) 2.8 1.0 1.0 volume=16.594 peak=69 ppm1=2.798 ppm2=1.815

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HB2
	 ) 2.2 0.6 0.6 volume=51.471 peak=70 ppm1=1.531 ppm2=1.822

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.4 0.7 0.7 volume=34.719 peak=71 ppm1=1.398 ppm2=1.822

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HB2
	 or resid 9 and name HB3
	 ) 2.4 0.7 0.7 volume=28.930 peak=72 ppm1=1.269 ppm2=1.824

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.4 0.7 0.7 volume=29.268 peak=73 ppm1=3.872 ppm2=1.527

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HD2
	 ) 1.9 0.5 0.5 volume=135.620 peak=74 ppm1=2.800 ppm2=1.531

assign ( resid 9 and name HE3
	 )
       ( resid 9 and name HD3
	 ) 1.9 0.5 0.5 volume=135.620 peak=74 ppm1=2.800 ppm2=1.531

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.3 0.7 0.7 volume=37.355 peak=75 ppm1=1.823 ppm2=1.534

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.0 0.5 0.5 volume=96.152 peak=76 ppm1=1.265 ppm2=1.529

assign ( resid 9 and name HG2
	 )
       ( resid 9 and name HG3
	 ) 2.1 0.6 0.6 volume=70.975 peak=77 ppm1=1.272 ppm2=1.407

assign ( resid 9 and name HG3
	 )
       ( resid 9 and name HG2
	 ) 2.1 0.5 0.5 volume=74.871 peak=78 ppm1=1.399 ppm2=1.266

assign ( resid 9 and name HD2
	 or resid 9 and name HD3
	 )
       ( resid 9 and name HG2
	 ) 2.0 0.5 0.5 volume=95.320 peak=79 ppm1=1.529 ppm2=1.267

assign ( resid 9 and name HB2
	 or resid 9 and name HB3
	 )
       ( resid 9 and name HG2
	 ) 2.6 0.8 0.8 volume=21.362 peak=80 ppm1=1.826 ppm2=1.267

assign ( resid 9 and name HE3
	 or resid 9 and name HE2
	 )
       ( resid 9 and name HG2
	 ) 2.4 0.7 0.7 volume=36.735 peak=81 ppm1=2.800 ppm2=1.269

assign ( resid 9 and name HE2
	 )
       ( resid 9 and name HG3
	 ) 2.5 0.8 0.8 volume=31.928 peak=82 ppm1=2.799 ppm2=1.413

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HG2
	 ) 2.7 0.9 0.9 volume=18.683 peak=83 ppm1=3.874 ppm2=1.267

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HA
	 ) 2.1 0.5 0.5 volume=78.482 peak=84 ppm1=1.779 ppm2=3.839

assign ( resid 12 and name HD3
	 or resid 12 and name HD2
	 )
       ( resid 12 and name HA
	 ) 3.0 1.1 1.1 volume=8.879 peak=85 ppm1=1.659 ppm2=3.840

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HA
	 ) 2.4 0.7 0.7 volume=30.370 peak=86 ppm1=1.431 ppm2=3.841

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HA
	 ) 2.7 0.9 0.9 volume=15.659 peak=87 ppm1=1.307 ppm2=3.840

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 3.3 1.4 1.4 volume=6.444 peak=88 ppm1=3.829 ppm2=2.812

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 3.0 1.2 1.2 volume=11.072 peak=89 ppm1=1.780 ppm2=2.812

assign ( resid 12 and name HD3
	 or resid 12 and name HD2
	 )
       ( resid 12 and name HE2
	 ) 3.4 1.4 1.4 volume=5.578 peak=90 ppm1=1.658 ppm2=2.809

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name HE3
	 ) 3.4 1.4 1.4 volume=5.578 peak=90 ppm1=1.658 ppm2=2.809

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 2.6 0.8 0.8 volume=25.136 peak=91 ppm1=1.430 ppm2=2.808

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HE3
	 or resid 12 and name HE2
	 ) 2.7 0.9 0.9 volume=20.144 peak=92 ppm1=1.301 ppm2=2.813

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.1 0.5 0.5 volume=88.413 peak=93 ppm1=3.830 ppm2=1.780

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HB2
	 ) 2.9 1.1 1.1 volume=13.703 peak=94 ppm1=2.812 ppm2=1.788

assign ( resid 12 and name HE3
	 )
       ( resid 12 and name HB3
	 ) 2.9 1.1 1.1 volume=13.703 peak=94 ppm1=2.812 ppm2=1.788

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.1 0.6 0.6 volume=61.132 peak=95 ppm1=1.434 ppm2=1.781

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.4 0.7 0.7 volume=33.853 peak=96 ppm1=1.307 ppm2=1.779

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HG3
	 ) 2.1 0.5 0.5 volume=81.363 peak=97 ppm1=1.306 ppm2=1.434

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HG2
	 ) 2.1 0.5 0.5 volume=73.065 peak=98 ppm1=1.432 ppm2=1.304

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HG2
	 ) 2.5 0.8 0.8 volume=28.171 peak=99 ppm1=1.785 ppm2=1.311

assign ( resid 12 and name HB2
	 or resid 12 and name HB3
	 )
       ( resid 12 and name HG3
	 ) 2.2 0.6 0.6 volume=55.881 peak=100 ppm1=1.779 ppm2=1.436

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HG2
	 ) 2.5 0.8 0.8 volume=25.873 peak=101 ppm1=2.812 ppm2=1.301

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG3
	 ) 2.5 0.8 0.8 volume=28.217 peak=102 ppm1=3.834 ppm2=1.442

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG2
	 ) 2.6 0.9 0.9 volume=21.228 peak=103 ppm1=3.830 ppm2=1.307

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HA
	 ) 3.0 1.2 1.2 volume=9.589 peak=104 ppm1=3.051 ppm2=3.736

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HA
	 ) 2.3 0.7 0.7 volume=40.508 peak=105 ppm1=1.799 ppm2=3.736

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=15.490 peak=106 ppm1=1.639 ppm2=3.735

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HA
	 ) 2.8 1.0 1.0 volume=15.028 peak=107 ppm1=1.456 ppm2=3.736

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.8 1.0 1.0 volume=13.595 peak=108 ppm1=3.736 ppm2=3.051

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name HD3
	 ) 2.4 0.7 0.7 volume=30.764 peak=109 ppm1=1.800 ppm2=3.048

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HD2
	 ) 2.4 0.7 0.7 volume=30.764 peak=109 ppm1=1.800 ppm2=3.048

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.4 0.7 0.7 volume=35.857 peak=110 ppm1=1.638 ppm2=3.051

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.3 0.7 0.7 volume=45.106 peak=111 ppm1=1.454 ppm2=3.047

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=50.296 peak=112 ppm1=1.638 ppm2=1.795

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=55.495 peak=113 ppm1=1.456 ppm2=1.797

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HG3
	 ) 2.3 0.7 0.7 volume=34.684 peak=114 ppm1=1.795 ppm2=1.639

assign ( resid 8 and name HG3
	 )
       ( resid 8 and name HG2
	 ) 2.1 0.5 0.5 volume=69.118 peak=115 ppm1=1.636 ppm2=1.457

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HG3
	 ) 2.1 0.6 0.6 volume=64.748 peak=116 ppm1=1.454 ppm2=1.639

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HG2
	 ) 2.2 0.6 0.6 volume=51.177 peak=117 ppm1=1.800 ppm2=1.453

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HG2
	 ) 2.2 0.6 0.6 volume=58.136 peak=118 ppm1=3.050 ppm2=1.456

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HG3
	 ) 2.3 0.6 0.6 volume=44.843 peak=119 ppm1=3.051 ppm2=1.640

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HB2
	 ) 2.2 0.6 0.6 volume=45.405 peak=120 ppm1=3.051 ppm2=1.793

assign ( resid 8 and name HD2
	 )
       ( resid 8 and name HB3
	 ) 2.2 0.6 0.6 volume=45.405 peak=120 ppm1=3.051 ppm2=1.793

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 2.1 0.6 0.6 volume=63.590 peak=121 ppm1=3.736 ppm2=1.794

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG2
	 ) 2.5 0.8 0.8 volume=25.043 peak=122 ppm1=3.737 ppm2=1.454

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HB#
	 ) 2.2 0.6 0.6 volume=55.901 peak=123 ppm1=3.754 ppm2=1.063

assign ( resid 3 and name HB#
	 )
       ( resid 3 and name HA
	 ) 2.1 0.6 0.6 volume=69.840 peak=124 ppm1=1.063 ppm2=3.758

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HA
	 ) 2.8 1.0 1.0 volume=14.796 peak=125 ppm1=1.969 ppm2=3.413

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HA
	 ) 2.2 0.6 0.6 volume=52.404 peak=126 ppm1=0.910 ppm2=3.414

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HA
	 ) 2.5 0.8 0.8 volume=30.256 peak=127 ppm1=0.841 ppm2=3.415

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HB
	 ) 2.6 0.8 0.8 volume=24.172 peak=128 ppm1=3.414 ppm2=1.972

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HG2#
	 ) 2.1 0.6 0.6 volume=73.716 peak=129 ppm1=3.415 ppm2=0.909

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HG1#
	 ) 2.2 0.6 0.6 volume=64.187 peak=130 ppm1=3.415 ppm2=0.842

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HB
	 ) 2.1 0.6 0.6 volume=70.482 peak=131 ppm1=0.911 ppm2=1.972

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HB
	 ) 2.1 0.6 0.6 volume=67.369 peak=132 ppm1=0.842 ppm2=1.972

assign ( resid 4 and name HG1#
	 )
       ( resid 4 and name HG2#
	 ) 1.6 0.3 0.3 volume=281.018 peak=133 ppm1=0.842 ppm2=0.912

assign ( resid 4 and name HG2#
	 )
       ( resid 4 and name HG1#
	 ) 1.7 0.3 0.3 volume=272.475 peak=134 ppm1=0.908 ppm2=0.840

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HG1#
	 ) 2.2 0.6 0.6 volume=56.623 peak=135 ppm1=1.964 ppm2=0.838

assign ( resid 4 and name HB
	 )
       ( resid 4 and name HG2#
	 ) 2.3 0.7 0.7 volume=42.743 peak=136 ppm1=1.970 ppm2=0.913

assign ( resid 5 and name HD3
	 )
       ( resid 5 and name HA
	 ) 2.8 1.0 1.0 volume=17.074 peak=137 ppm1=3.042 ppm2=3.857

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HA
	 ) 2.1 0.6 0.6 volume=72.527 peak=138 ppm1=1.801 ppm2=3.856

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HA
	 ) 2.7 0.9 0.9 volume=18.747 peak=139 ppm1=1.607 ppm2=3.855

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HD3
	 ) 2.7 0.9 0.9 volume=20.410 peak=140 ppm1=3.856 ppm2=3.045

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HD2
	 ) 2.4 0.7 0.7 volume=36.110 peak=141 ppm1=1.608 ppm2=3.044

assign ( resid 5 and name HG3
	 )
       ( resid 5 and name HD3
	 ) 2.4 0.7 0.7 volume=36.110 peak=141 ppm1=1.608 ppm2=3.044

assign ( resid 5 and name HG3
	 or resid 5 and name HG2
	 )
       ( resid 5 and name HB3
	 ) 2.3 0.6 0.6 volume=44.774 peak=142 ppm1=1.605 ppm2=1.800

assign ( resid 5 and name HG3
	 )
       ( resid 5 and name HB2
	 ) 2.3 0.6 0.6 volume=44.774 peak=142 ppm1=1.605 ppm2=1.800

assign ( resid 5 and name HB3
	 )
       ( resid 5 and name HG2
	 ) 2.3 0.7 0.7 volume=37.794 peak=143 ppm1=1.801 ppm2=1.608

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HG3
	 ) 2.3 0.7 0.7 volume=37.794 peak=143 ppm1=1.801 ppm2=1.608

assign ( resid 5 and name HD3
	 )
       ( resid 5 and name HB3
	 ) 2.2 0.6 0.6 volume=48.332 peak=144 ppm1=3.035 ppm2=1.803

assign ( resid 5 and name HD2
	 or resid 5 and name HD3
	 )
       ( resid 5 and name HB2
	 ) 2.2 0.6 0.6 volume=48.332 peak=144 ppm1=3.035 ppm2=1.803

assign ( resid 5 and name HD2
	 )
       ( resid 5 and name HG2
	 ) 2.2 0.6 0.6 volume=55.412 peak=145 ppm1=3.036 ppm2=1.611

assign ( resid 5 and name HD2
	 or resid 5 and name HD3
	 )
       ( resid 5 and name HG3
	 ) 2.2 0.6 0.6 volume=55.412 peak=145 ppm1=3.036 ppm2=1.611

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 2.0 0.5 0.5 volume=105.237 peak=146 ppm1=3.857 ppm2=1.801

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG3
	 or resid 5 and name HG2
	 ) 2.5 0.8 0.8 volume=23.442 peak=147 ppm1=3.854 ppm2=1.608

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HA
	 ) 2.4 0.7 0.7 volume=30.273 peak=148 ppm1=1.807 ppm2=3.693

assign ( resid 6 and name HG13
	 )
       ( resid 6 and name HA
	 ) 3.0 1.1 1.1 volume=9.855 peak=149 ppm1=1.347 ppm2=3.690

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HA
	 ) 2.3 0.7 0.7 volume=43.591 peak=150 ppm1=0.736 ppm2=3.690

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HA
	 ) 2.5 0.8 0.8 volume=30.474 peak=151 ppm1=0.661 ppm2=3.690

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HB
	 ) 1.9 0.5 0.5 volume=131.459 peak=152 ppm1=0.737 ppm2=1.810

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HB
	 ) 2.2 0.6 0.6 volume=65.653 peak=153 ppm1=0.660 ppm2=1.809

assign ( resid 6 and name HG2#
	 )
       ( resid 6 and name HG12
	 or resid 6 and name HG13
	 ) 2.8 1.0 1.0 volume=12.439 peak=154 ppm1=0.736 ppm2=1.349

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HG12
	 or resid 6 and name HG13
	 ) 2.4 0.7 0.7 volume=35.154 peak=155 ppm1=0.662 ppm2=1.348

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HG13
	 ) 2.7 0.9 0.9 volume=16.026 peak=156 ppm1=3.688 ppm2=1.349

assign ( resid 6 and name HG12
	 or resid 6 and name HG13
	 )
       ( resid 6 and name HG2#
	 ) 2.6 0.8 0.8 volume=22.271 peak=157 ppm1=1.345 ppm2=0.737

assign ( resid 6 and name HG12
	 or resid 6 and name HG13
	 )
       ( resid 6 and name HD1#
	 ) 2.6 0.8 0.8 volume=22.969 peak=158 ppm1=1.348 ppm2=0.663

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HG2#
	 ) 2.1 0.6 0.6 volume=76.717 peak=159 ppm1=1.807 ppm2=0.739

assign ( resid 6 and name HB
	 )
       ( resid 6 and name HD1#
	 ) 2.3 0.6 0.6 volume=45.133 peak=160 ppm1=1.808 ppm2=0.674

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HG2#
	 ) 2.2 0.6 0.6 volume=51.882 peak=161 ppm1=3.688 ppm2=0.737

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HD1#
	 ) 2.4 0.7 0.7 volume=33.142 peak=162 ppm1=3.687 ppm2=0.664

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HA
	 ) 2.6 0.9 0.9 volume=21.340 peak=163 ppm1=1.895 ppm2=3.559

assign ( resid 11 and name HG13
	 or resid 11 and name HG12
	 )
       ( resid 11 and name HA
	 ) 3.1 1.2 1.2 volume=8.161 peak=164 ppm1=1.235 ppm2=3.559

assign ( resid 11 and name HG2#
	 )
       ( resid 11 and name HA
	 ) 2.2 0.6 0.6 volume=66.545 peak=165 ppm1=0.832 ppm2=3.560

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HA
	 ) 2.4 0.7 0.7 volume=41.083 peak=166 ppm1=0.741 ppm2=3.564

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB
	 ) 2.4 0.7 0.7 volume=34.283 peak=167 ppm1=3.561 ppm2=1.897

assign ( resid 11 and name HG2#
	 )
       ( resid 11 and name HB
	 ) 1.8 0.4 0.4 volume=175.472 peak=168 ppm1=0.833 ppm2=1.896

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HB
	 ) 2.1 0.5 0.5 volume=80.853 peak=169 ppm1=0.740 ppm2=1.897

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG13
	 or resid 11 and name HG12
	 ) 2.7 0.9 0.9 volume=15.450 peak=170 ppm1=3.562 ppm2=1.236

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG2#
	 ) 2.0 0.5 0.5 volume=104.401 peak=171 ppm1=3.563 ppm2=0.831

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HD1#
	 ) 2.2 0.6 0.6 volume=57.091 peak=172 ppm1=3.565 ppm2=0.745

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HG2#
	 ) 2.0 0.5 0.5 volume=97.228 peak=173 ppm1=1.895 ppm2=0.832

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HD1#
	 ) 2.2 0.6 0.6 volume=61.972 peak=174 ppm1=1.897 ppm2=0.744

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HA
	 ) 2.5 0.8 0.8 volume=28.249 peak=175 ppm1=1.816 ppm2=3.571

assign ( resid 7 and name HG12
	 or resid 7 and name HG13
	 )
       ( resid 7 and name HA
	 ) 2.8 1.0 1.0 volume=13.179 peak=176 ppm1=1.142 ppm2=3.561

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HA
	 ) 2.2 0.6 0.6 volume=65.983 peak=177 ppm1=0.812 ppm2=3.572

assign ( resid 7 and name HD1#
	 )
       ( resid 7 and name HA
	 ) 2.6 0.8 0.8 volume=27.006 peak=178 ppm1=0.676 ppm2=3.575

assign ( resid 7 and name HG12
	 or resid 7 and name HG13
	 )
       ( resid 7 and name HB
	 ) 2.4 0.7 0.7 volume=32.679 peak=179 ppm1=1.138 ppm2=1.815

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HB
	 ) 2.0 0.5 0.5 volume=90.483 peak=180 ppm1=0.814 ppm2=1.816

assign ( resid 7 and name HD1#
	 )
       ( resid 7 and name HB
	 ) 2.1 0.6 0.6 volume=66.669 peak=181 ppm1=0.676 ppm2=1.818

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HG2#
	 ) 2.1 0.5 0.5 volume=80.148 peak=182 ppm1=1.813 ppm2=0.817

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.5 0.8 0.8 volume=25.967 peak=183 ppm1=3.555 ppm2=1.142

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG2#
	 ) 2.1 0.5 0.5 volume=60.368 peak=184 ppm1=3.568 ppm2=0.806

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 2.4 0.7 0.7 volume=31.298 peak=185 ppm1=3.576 ppm2=0.680

assign ( resid 13 and name HA3
	 )
       ( resid 13 and name HA2
	 ) 2.7 0.9 0.9 volume=22.249 peak=186 ppm1=3.941 ppm2=3.734

assign ( resid 11 and name H
	 )
       ( resid 10 and name HD#
	 ) 3.1 1.2 1.2 volume=7.016 peak=187 ppm1=8.431 ppm2=7.089

assign ( resid 10 and name H
	 )
       ( resid 10 and name HD#
	 ) 2.9 1.0 1.0 volume=12.899 peak=188 ppm1=8.078 ppm2=7.089

assign ( resid 10 and name HD#
	 )
       ( resid 11 and name H
	 ) 3.1 1.2 1.2 volume=10.996 peak=189 ppm1=7.086 ppm2=8.433

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name H
	 ) 2.9 1.1 1.1 volume=14.708 peak=190 ppm1=7.086 ppm2=8.077

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name HA
	 ) 2.2 0.6 0.6 volume=58.316 peak=191 ppm1=7.086 ppm2=4.235

assign ( resid 10 and name HD#
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 2.0 0.5 0.5 volume=104.637 peak=192 ppm1=7.087 ppm2=3.123

assign ( resid 10 and name HD#
	 )
       ( resid 9 and name HB3
	 ) 2.5 0.8 0.8 volume=31.475 peak=193 ppm1=7.087 ppm2=1.817

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB2
	 ) 2.2 0.6 0.6 volume=58.962 peak=194 ppm1=7.632 ppm2=1.819

assign ( resid 10 and name H
	 )
       ( resid 9 and name HB3
	 ) 2.5 0.8 0.8 volume=28.495 peak=195 ppm1=8.075 ppm2=1.825

assign ( resid 10 and name HD#
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.8 1.0 1.0 volume=15.405 peak=196 ppm1=7.087 ppm2=1.140

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB
	 ) 2.2 0.6 0.6 volume=51.602 peak=197 ppm1=8.451 ppm2=1.812

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB
	 ) 2.5 0.8 0.8 volume=24.598 peak=198 ppm1=8.434 ppm2=1.896

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG3
	 ) 2.8 1.0 1.0 volume=12.286 peak=199 ppm1=8.455 ppm2=1.646

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG2
	 ) 3.0 1.1 1.1 volume=9.837 peak=200 ppm1=8.457 ppm2=1.452

assign ( resid 12 and name H
	 )
       ( resid 11 and name HB
	 ) 2.6 0.9 0.9 volume=20.575 peak=201 ppm1=8.164 ppm2=1.896

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.2 0.6 0.6 volume=57.983 peak=202 ppm1=8.164 ppm2=1.784

assign ( resid 12 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 3.1 1.2 1.2 volume=6.625 peak=203 ppm1=8.166 ppm2=1.540

assign ( resid 4 and name H
	 )
       ( resid 4 and name HB
	 ) 2.9 1.1 1.1 volume=11.340 peak=204 ppm1=7.924 ppm2=1.971

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB
	 ) 2.4 0.7 0.7 volume=29.388 peak=205 ppm1=7.882 ppm2=1.807

assign ( resid 13 and name H
	 )
       ( resid 12 and name HB2
	 or resid 12 and name HB3
	 ) 2.6 0.8 0.8 volume=22.882 peak=206 ppm1=7.818 ppm2=1.789

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB
	 ) 2.6 0.8 0.8 volume=20.590 peak=207 ppm1=7.585 ppm2=1.805

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HA
	 ) 2.3 0.7 0.7 volume=42.867 peak=208 ppm1=1.904 ppm2=3.855

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HA
	 ) 2.7 0.9 0.9 volume=18.907 peak=209 ppm1=1.193 ppm2=3.849

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HA
	 ) 2.1 0.6 0.6 volume=79.959 peak=210 ppm1=0.825 ppm2=3.855

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HB
	 ) 2.7 0.9 0.9 volume=16.919 peak=211 ppm1=1.191 ppm2=1.907

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HB
	 ) 2.0 0.5 0.5 volume=111.057 peak=212 ppm1=0.822 ppm2=1.913

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HB
	 ) 2.2 0.6 0.6 volume=64.144 peak=213 ppm1=0.732 ppm2=1.910

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB
	 ) 2.2 0.6 0.6 volume=54.147 peak=214 ppm1=3.859 ppm2=1.904

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.6 0.8 0.8 volume=23.417 peak=215 ppm1=3.854 ppm2=1.195

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG2#
	 ) 2.1 0.5 0.5 volume=86.864 peak=216 ppm1=3.855 ppm2=0.827

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HG2#
	 ) 2.3 0.7 0.7 volume=42.169 peak=217 ppm1=1.192 ppm2=0.824

assign ( resid 15 and name HG12
	 or resid 15 and name HG13
	 )
       ( resid 15 and name HD1#
	 ) 2.3 0.7 0.7 volume=40.961 peak=218 ppm1=1.192 ppm2=0.732

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.2 0.6 0.6 volume=55.076 peak=219 ppm1=0.827 ppm2=1.193

assign ( resid 15 and name HD1#
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.2 0.6 0.6 volume=63.090 peak=220 ppm1=0.735 ppm2=1.192

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.6 0.9 0.9 volume=17.650 peak=221 ppm1=1.904 ppm2=1.186

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG3
	 ) 2.9 1.0 1.0 volume=12.128 peak=222 ppm1=8.165 ppm2=1.435

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 3.0 1.2 1.2 volume=8.168 peak=223 ppm1=7.632 ppm2=1.547

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG2
	 ) 3.1 1.2 1.2 volume=7.048 peak=224 ppm1=8.165 ppm2=1.302

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG12
	 or resid 15 and name HG13
	 ) 2.7 0.9 0.9 volume=18.269 peak=225 ppm1=7.783 ppm2=1.196

assign ( resid 4 and name H
	 )
       ( resid 3 and name HB#
	 ) 2.9 1.0 1.0 volume=12.505 peak=226 ppm1=7.921 ppm2=1.065

assign ( resid 6 and name H
	 )
       ( resid 3 and name HB#
	 ) 3.1 1.2 1.2 volume=7.267 peak=227 ppm1=7.579 ppm2=1.074

assign ( resid 11 and name H
	 )
       ( resid 11 and name HD1#
	 ) 2.6 0.8 0.8 volume=23.384 peak=228 ppm1=8.436 ppm2=0.744

assign ( resid 8 and name H
	 )
       ( resid 7 and name HD1#
	 ) 2.9 1.1 1.1 volume=9.892 peak=229 ppm1=8.452 ppm2=0.679

assign ( resid 12 and name H
	 )
       ( resid 11 and name HG2#
	 ) 2.6 0.9 0.9 volume=20.606 peak=230 ppm1=8.165 ppm2=0.834

assign ( resid 12 and name H
	 )
       ( resid 11 and name HD1#
	 ) 2.9 1.0 1.0 volume=11.989 peak=231 ppm1=8.165 ppm2=0.740

assign ( resid 7 and name H
	 )
       ( resid 7 and name HD1#
	 ) 2.8 1.0 1.0 volume=13.630 peak=232 ppm1=7.892 ppm2=0.678

assign ( resid 7 and name H
	 )
       ( resid 6 and name HG2#
	 ) 2.8 1.0 1.0 volume=12.215 peak=233 ppm1=7.890 ppm2=0.732

assign ( resid 6 and name H
	 )
       ( resid 6 and name HG2#
	 ) 3.0 1.1 1.1 volume=9.064 peak=234 ppm1=7.582 ppm2=0.736

assign ( resid 9 and name H
	 )
       ( resid 6 and name HG2#
	 ) 3.1 1.2 1.2 volume=8.158 peak=235 ppm1=7.632 ppm2=0.738

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HH2
	 ) 3.5 1.5 1.5 volume=4.287 peak=236 ppm1=10.615 ppm2=6.925

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HZ2
	 ) 2.5 0.8 0.8 volume=22.280 peak=237 ppm1=10.616 ppm2=7.349

assign ( resid 2 and name HH2
	 )
       ( resid 2 and name HZ2
	 ) 1.9 0.5 0.5 volume=143.798 peak=238 ppm1=6.923 ppm2=7.353

assign ( resid 2 and name HZ3
	 )
       ( resid 2 and name HH2
	 ) 2.0 0.5 0.5 volume=133.335 peak=239 ppm1=6.814 ppm2=6.926

assign ( resid 2 and name HH2
	 )
       ( resid 2 and name HZ3
	 ) 2.0 0.5 0.5 volume=138.302 peak=240 ppm1=6.925 ppm2=6.815

assign ( resid 2 and name HZ2
	 )
       ( resid 2 and name HH2
	 ) 1.9 0.4 0.4 volume=181.427 peak=241 ppm1=7.348 ppm2=6.925

assign ( resid 14 and name H
	 )
       ( resid 14 and name HD#
	 ) 2.7 0.9 0.9 volume=17.350 peak=242 ppm1=7.841 ppm2=7.031

assign ( resid 15 and name H
	 )
       ( resid 14 and name HD#
	 ) 2.8 1.0 1.0 volume=12.059 peak=243 ppm1=7.789 ppm2=7.031

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HA
	 ) 2.2 0.6 0.6 volume=78.026 peak=244 ppm1=7.029 ppm2=4.227

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HA
	 ) 2.8 1.0 1.0 volume=18.466 peak=245 ppm1=7.030 ppm2=3.556

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HB2
	 ) 2.3 0.7 0.7 volume=52.368 peak=246 ppm1=7.029 ppm2=2.909

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HB3
	 ) 2.3 0.7 0.7 volume=48.132 peak=247 ppm1=7.029 ppm2=2.743

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HG2#
	 ) 2.3 0.6 0.6 volume=54.965 peak=248 ppm1=7.030 ppm2=0.829

assign ( resid 14 and name HD#
	 )
       ( resid 11 and name HD1#
	 ) 2.4 0.7 0.7 volume=42.790 peak=249 ppm1=7.030 ppm2=0.746

assign ( resid 10 and name HB3
	 )
       ( resid 7 and name HA
	 ) 2.6 0.9 0.9 volume=21.731 peak=250 ppm1=3.122 ppm2=3.573

assign ( resid 14 and name HB2
	 )
       ( resid 11 and name HA
	 ) 3.0 1.1 1.1 volume=9.046 peak=251 ppm1=2.902 ppm2=3.555

assign ( resid 14 and name HB3
	 )
       ( resid 11 and name HA
	 ) 3.0 1.2 1.2 volume=9.016 peak=252 ppm1=2.742 ppm2=3.555

assign ( resid 7 and name HA
	 )
       ( resid 10 and name HB3
	 ) 2.5 0.8 0.8 volume=27.953 peak=253 ppm1=3.573 ppm2=3.120

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HB2
	 ) 3.0 1.2 1.2 volume=10.080 peak=254 ppm1=3.552 ppm2=2.908

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HB3
	 ) 3.3 1.3 1.3 volume=6.162 peak=255 ppm1=3.555 ppm2=2.743

assign ( resid 11 and name HB
	 )
       ( resid 8 and name HA
	 ) 2.7 0.9 0.9 volume=15.696 peak=256 ppm1=1.899 ppm2=3.743

assign ( resid 11 and name HG2#
	 )
       ( resid 8 and name HA
	 ) 2.7 0.9 0.9 volume=19.559 peak=257 ppm1=0.832 ppm2=3.745

assign ( resid 6 and name HD1#
	 )
       ( resid 3 and name HA
	 ) 2.8 1.0 1.0 volume=13.484 peak=258 ppm1=0.662 ppm2=3.748

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HB
	 ) 2.5 0.8 0.8 volume=25.600 peak=259 ppm1=3.737 ppm2=1.900

assign ( resid 3 and name HA
	 )
       ( resid 6 and name HD1#
	 ) 2.8 1.0 1.0 volume=14.667 peak=260 ppm1=3.747 ppm2=0.664

assign ( resid 7 and name HD1#
	 )
       ( resid 4 and name HA
	 ) 2.7 0.9 0.9 volume=24.500 peak=261 ppm1=0.675 ppm2=3.412

assign ( resid 4 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 2.4 0.7 0.7 volume=33.368 peak=262 ppm1=3.409 ppm2=0.674

assign ( resid 4 and name HA
	 )
       ( resid 3 and name HB#
	 ) 3.0 1.1 1.1 volume=10.101 peak=263 ppm1=3.408 ppm2=1.064

assign ( resid 3 and name HB#
	 )
       ( resid 4 and name HA
	 ) 4.4 2.4 2.4 volume=1.515 peak=264 ppm1=1.064 ppm2=3.407

assign ( resid 5 and name HA
	 )
       ( resid 4 and name HG2#
	 ) 3.2 1.3 1.3 volume=6.824 peak=265 ppm1=3.856 ppm2=0.907

assign ( resid 4 and name HG2#
	 )
       ( resid 5 and name HA
	 ) 6.2 4.8 4.8 volume=1.767 peak=266 ppm1=0.907 ppm2=3.855

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HD1#
	 ) 2.4 0.7 0.7 volume=37.553 peak=267 ppm1=3.741 ppm2=0.742

assign ( resid 11 and name HD1#
	 )
       ( resid 8 and name HA
	 ) 2.3 0.7 0.7 volume=33.595 peak=268 ppm1=0.742 ppm2=3.741

assign ( resid 7 and name HB
	 )
       ( resid 4 and name HG2#
	 ) 2.6 0.8 0.8 volume=23.381 peak=269 ppm1=1.818 ppm2=0.910

assign ( resid 4 and name HG2#
	 )
       ( resid 7 and name HB
	 ) 2.5 0.8 0.8 volume=25.406 peak=270 ppm1=0.910 ppm2=1.819

assign ( resid 3 and name HB#
	 )
       ( resid 6 and name HG12
	 ) 2.4 0.7 0.7 volume=32.347 peak=271 ppm1=1.089 ppm2=1.353

assign ( resid 6 and name HG12
	 )
       ( resid 3 and name HB#
	 ) 2.3 0.7 0.7 volume=39.456 peak=272 ppm1=1.350 ppm2=1.080

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HG12
	 or resid 7 and name HG13
	 ) 2.4 0.7 0.7 volume=28.884 peak=273 ppm1=1.810 ppm2=1.133

assign ( resid 12 and name HE3
	 or resid 12 and name HE2
	 )
       ( resid 12 and name HG3
	 ) 2.5 0.8 0.8 volume=28.418 peak=274 ppm1=2.812 ppm2=1.429

assign ( resid 5 and name HB2
	 )
       ( resid 5 and name HD2
	 ) 2.5 0.8 0.8 volume=25.168 peak=275 ppm1=1.802 ppm2=3.035

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HD3
	 ) 2.5 0.8 0.8 volume=25.168 peak=275 ppm1=1.802 ppm2=3.035

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HD1#
	 ) 2.3 0.6 0.6 volume=45.361 peak=276 ppm1=1.818 ppm2=0.676

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HG2#
	 ) 2.0 0.5 0.5 volume=100.053 peak=277 ppm1=1.913 ppm2=0.822

assign ( resid 15 and name HB
	 )
       ( resid 15 and name HD1#
	 ) 2.2 0.6 0.6 volume=52.995 peak=278 ppm1=1.910 ppm2=0.731

assign ( resid 9 and name H
	 )
       ( resid 7 and name HA
	 ) 3.4 1.5 1.5 volume=5.162 peak=279 ppm1=7.630 ppm2=3.578

assign ( resid 14 and name H
	 )
       ( resid 11 and name HA
	 ) 2.8 1.0 1.0 volume=13.286 peak=280 ppm1=7.844 ppm2=3.564

assign ( resid 10 and name H
	 )
       ( resid 6 and name HA
	 ) 3.2 1.3 1.3 volume=5.611 peak=281 ppm1=8.077 ppm2=3.708

assign ( resid 8 and name H
	 )
       ( resid 4 and name HA
	 ) 3.4 1.5 1.5 volume=5.145 peak=282 ppm1=8.456 ppm2=3.410

assign ( resid 4 and name H
	 )
       ( resid 2 and name HA
	 ) 2.7 0.9 0.9 volume=18.302 peak=283 ppm1=7.919 ppm2=4.642

assign ( resid 7 and name H
	 )
       ( resid 4 and name HA
	 ) 3.1 1.2 1.2 volume=8.036 peak=284 ppm1=7.889 ppm2=3.411

assign ( resid 5 and name H
	 )
       ( resid 2 and name HA
	 ) 2.7 0.9 0.9 volume=19.447 peak=285 ppm1=7.877 ppm2=4.646

assign ( resid 12 and name H
	 )
       ( resid 10 and name HB2
	 or resid 10 and name HB3
	 ) 3.3 1.3 1.3 volume=5.799 peak=286 ppm1=8.165 ppm2=3.122

assign ( resid 15 and name H
	 )
       ( resid 11 and name HA
	 ) 3.2 1.3 1.3 volume=5.834 peak=287 ppm1=7.785 ppm2=3.558

assign ( resid 14 and name H
	 )
       ( resid 11 and name HD1#
	 ) 3.0 1.1 1.1 volume=9.711 peak=288 ppm1=7.843 ppm2=0.742

assign ( resid 5 and name HA
	 )
       ( resid 8 and name HG2
	 ) 2.3 0.6 0.6 volume=42.880 peak=289 ppm1=3.857 ppm2=1.460

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 2.9 1.1 1.1 volume=10.504 peak=290 ppm1=3.688 ppm2=1.536

assign ( resid 8 and name HG2
	 )
       ( resid 5 and name HA
	 ) 2.5 0.8 0.8 volume=31.226 peak=291 ppm1=1.460 ppm2=3.856

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1 -13.180   3.196  -2.617
    2    H2   LYS   1           HT2      LYS   1 -12.588   1.829  -3.415
    3    H3   LYS   1           HT3      LYS   1 -11.550   3.112  -3.060
    4    HA   LYS   1           HA       LYS   1 -11.817   2.726  -0.705
    5    HB2  LYS   1           HB2      LYS   1 -13.434   0.336  -1.617
    6    HB3  LYS   1           HB1      LYS   1 -12.938   0.653   0.038
    7    HG2  LYS   1           HG2      LYS   1 -14.295   2.677   0.068
    8    HG3  LYS   1           HG1      LYS   1 -14.780   2.380  -1.602
    9    HD2  LYS   1           HD2      LYS   1 -15.793   0.243  -0.902
   10    HD3  LYS   1           HD1      LYS   1 -15.351   0.601   0.768
   11    HE2  LYS   1           HE2      LYS   1 -16.747   2.614   0.698
   12    HE3  LYS   1           HE1      LYS   1 -17.188   2.247  -0.969
   13    HZ1  LYS   1           HZ1      LYS   1 -18.205   0.191  -0.203
   14    HZ2  LYS   1           HZ2      LYS   1 -18.898   1.529   0.560
   15    HZ3  LYS   1           HZ3      LYS   1 -17.795   0.560   1.396
   16    H    TRP   2           HN       TRP   2 -10.269   1.498   0.323
   17    HA   TRP   2           HA       TRP   2  -8.488   0.157   0.626
   18    HB2  TRP   2           HB2      TRP   2  -9.902  -1.580  -1.397
   19    HB3  TRP   2           HB1      TRP   2  -8.545  -2.097  -0.401
   20    HD1  TRP   2           HD1      TRP   2 -12.269  -1.719  -0.352
   21    HE1  TRP   2           HE1      TRP   2 -13.190  -2.419   1.946
   22    HE3  TRP   2           HE3      TRP   2  -7.868  -2.022   2.233
   23    HZ2  TRP   2           HZ2      TRP   2 -12.175  -3.013   4.520
   24    HZ3  TRP   2           HZ3      TRP   2  -7.948  -2.657   4.611
   25    HH2  TRP   2           HH2      TRP   2 -10.070  -3.137   5.711
   26    H    ALA   3           HN       ALA   3  -8.558   2.126  -1.758
   27    HA   ALA   3           HA       ALA   3  -6.424   0.978  -3.362
   28    HB1  ALA   3           HB1      ALA   3  -7.469   3.790  -3.535
   29    HB2  ALA   3           HB2      ALA   3  -8.216   2.423  -4.364
   30    HB3  ALA   3           HB3      ALA   3  -6.555   2.887  -4.748
   31    H    VAL   4           HN       VAL   4  -6.740   2.629  -0.472
   32    HA   VAL   4           HA       VAL   4  -4.410   4.173  -0.396
   33    HB   VAL   4           HB       VAL   4  -5.788   2.681   1.850
   34   HG11  VAL   4          HG11      VAL   4  -3.924   5.026   1.897
   35   HG12  VAL   4          HG12      VAL   4  -3.576   3.399   2.479
   36   HG13  VAL   4          HG13      VAL   4  -4.796   4.387   3.285
   37   HG21  VAL   4          HG21      VAL   4  -7.340   4.156   0.714
   38   HG22  VAL   4          HG22      VAL   4  -6.190   5.488   0.842
   39   HG23  VAL   4          HG23      VAL   4  -6.915   4.809   2.297
   40    H    ARG   5           HN       ARG   5  -5.055   0.777  -0.110
   41    HA   ARG   5           HA       ARG   5  -2.598  -0.047   1.028
   42    HB2  ARG   5           HB2      ARG   5  -4.418  -1.628  -0.798
   43    HB3  ARG   5           HB1      ARG   5  -3.232  -2.280   0.326
   44    HG2  ARG   5           HG2      ARG   5  -5.704  -0.731   1.076
   45    HG3  ARG   5           HG1      ARG   5  -5.499  -2.479   1.196
   46    HD2  ARG   5           HD2      ARG   5  -3.822  -2.245   2.870
   47    HD3  ARG   5           HD1      ARG   5  -3.724  -0.505   2.619
   48    HE   ARG   5           HE       ARG   5  -6.253  -0.745   3.364
   49   HH11  ARG   5          HH11      ARG   5  -3.397  -2.260   4.702
   50   HH12  ARG   5          HH12      ARG   5  -4.001  -2.263   6.328
   51   HH21  ARG   5          HH21      ARG   5  -7.066  -0.763   5.494
   52   HH22  ARG   5          HH22      ARG   5  -6.100  -1.424   6.774
   53    H    ILE   6           HN       ILE   6  -3.473   1.033  -2.085
   54    HA   ILE   6           HA       ILE   6  -1.402  -0.224  -3.596
   55    HB   ILE   6           HB       ILE   6  -3.172   2.176  -4.077
   56   HG12  ILE   6          HG12      ILE   6  -4.253   0.889  -5.726
   57   HG13  ILE   6          HG11      ILE   6  -2.936  -0.278  -5.815
   58   HG21  ILE   6          HG21      ILE   6  -2.221   2.415  -6.310
   59   HG22  ILE   6          HG22      ILE   6  -1.021   1.177  -5.933
   60   HG23  ILE   6          HG23      ILE   6  -1.012   2.708  -5.057
   61   HD11  ILE   6          HD11      ILE   6  -5.002  -1.136  -4.763
   62   HD12  ILE   6          HD12      ILE   6  -4.784   0.037  -3.463
   63   HD13  ILE   6          HD13      ILE   6  -3.587  -1.231  -3.715
   64    H    ILE   7           HN       ILE   7  -1.724   2.822  -1.831
   65    HA   ILE   7           HA       ILE   7   0.868   3.801  -2.510
   66    HB   ILE   7           HB       ILE   7  -0.987   4.502  -0.222
   67   HG12  ILE   7          HG12      ILE   7  -1.080   6.702  -1.499
   68   HG13  ILE   7          HG11      ILE   7  -0.259   5.875  -2.816
   69   HG21  ILE   7          HG21      ILE   7   1.621   5.822  -0.961
   70   HG22  ILE   7          HG22      ILE   7   1.318   4.861   0.487
   71   HG23  ILE   7          HG23      ILE   7   0.479   6.395   0.255
   72   HD11  ILE   7          HD11      ILE   7  -2.655   5.999  -3.187
   73   HD12  ILE   7          HD12      ILE   7  -2.945   5.136  -1.677
   74   HD13  ILE   7          HD13      ILE   7  -2.127   4.326  -3.012
   75    H    ARG   8           HN       ARG   8  -0.474   1.836   0.072
   76    HA   ARG   8           HA       ARG   8   1.931   1.514   1.538
   77    HB2  ARG   8           HB2      ARG   8  -0.514  -0.254   1.338
   78    HB3  ARG   8           HB1      ARG   8   0.799  -0.516   2.475
   79    HG2  ARG   8           HG2      ARG   8  -0.901   1.965   2.368
   80    HG3  ARG   8           HG1      ARG   8  -1.151   0.613   3.473
   81    HD2  ARG   8           HD2      ARG   8   1.328   2.327   3.315
   82    HD3  ARG   8           HD1      ARG   8   0.074   2.441   4.549
   83    HE   ARG   8           HE       ARG   8   0.877  -0.159   4.659
   84   HH11  ARG   8          HH11      ARG   8   2.518   2.921   4.949
   85   HH12  ARG   8          HH12      ARG   8   3.766   2.299   5.978
   86   HH21  ARG   8          HH21      ARG   8   2.499  -0.973   6.023
   87   HH22  ARG   8          HH22      ARG   8   3.757   0.076   6.593
   88    H    LYS   9           HN       LYS   9   0.753   0.186  -1.417
   89    HA   LYS   9           HA       LYS   9   2.402  -2.122  -1.537
   90    HB2  LYS   9           HB2      LYS   9   0.384  -1.473  -3.024
   91    HB3  LYS   9           HB1      LYS   9   1.564  -0.550  -3.953
   92    HG2  LYS   9           HG2      LYS   9   1.216  -2.709  -4.935
   93    HG3  LYS   9           HG1      LYS   9   2.855  -2.605  -4.290
   94    HD2  LYS   9           HD2      LYS   9   2.240  -3.867  -2.363
   95    HD3  LYS   9           HD1      LYS   9   0.530  -3.817  -2.815
   96    HE2  LYS   9           HE2      LYS   9   2.718  -5.138  -4.396
   97    HE3  LYS   9           HE1      LYS   9   1.594  -5.977  -3.328
   98    HZ1  LYS   9           HZ1      LYS   9  -0.228  -5.213  -4.734
   99    HZ2  LYS   9           HZ2      LYS   9   0.886  -6.120  -5.623
  100    HZ3  LYS   9           HZ3      LYS   9   0.869  -4.439  -5.760
  101    H    PHE  10           HN       PHE  10   2.726   1.215  -2.552
  102    HA   PHE  10           HA       PHE  10   5.291   1.062  -3.694
  103    HB2  PHE  10           HB2      PHE  10   4.083   3.388  -2.180
  104    HB3  PHE  10           HB1      PHE  10   5.386   3.471  -3.362
  105    HD1  PHE  10           HD1      PHE  10   3.891   1.357  -5.205
  106    HD2  PHE  10           HD2      PHE  10   2.817   5.049  -3.387
  107    HE1  PHE  10           HE1      PHE  10   2.248   1.754  -6.994
  108    HE2  PHE  10           HE2      PHE  10   1.164   5.451  -5.167
  109    HZ   PHE  10           HZ       PHE  10   0.879   3.802  -6.974
  110    H    ILE  11           HN       ILE  11   4.138   1.495  -0.424
  111    HA   ILE  11           HA       ILE  11   6.633   1.866   0.850
  112    HB   ILE  11           HB       ILE  11   3.929   1.036   1.808
  113   HG12  ILE  11          HG12      ILE  11   3.928   3.097   2.873
  114   HG13  ILE  11          HG11      ILE  11   5.684   3.142   3.010
  115   HG21  ILE  11          HG21      ILE  11   5.370  -0.434   3.052
  116   HG22  ILE  11          HG22      ILE  11   4.845   0.876   4.113
  117   HG23  ILE  11          HG23      ILE  11   6.466   0.898   3.415
  118   HD11  ILE  11          HD11      ILE  11   5.883   3.600   0.652
  119   HD12  ILE  11          HD12      ILE  11   4.832   4.798   1.427
  120   HD13  ILE  11          HD13      ILE  11   4.132   3.487   0.466
  121    H    LYS  12           HN       LYS  12   4.806  -0.974  -0.044
  122    HA   LYS  12           HA       LYS  12   6.529  -2.854   1.215
  123    HB2  LYS  12           HB2      LYS  12   4.595  -3.110  -1.084
  124    HB3  LYS  12           HB1      LYS  12   5.521  -4.475  -0.470
  125    HG2  LYS  12           HG2      LYS  12   4.503  -4.225   1.712
  126    HG3  LYS  12           HG1      LYS  12   3.625  -2.798   1.159
  127    HD2  LYS  12           HD2      LYS  12   2.390  -4.131  -0.432
  128    HD3  LYS  12           HD1      LYS  12   3.328  -5.564  -0.006
  129    HE2  LYS  12           HE2      LYS  12   2.427  -5.535   2.229
  130    HE3  LYS  12           HE1      LYS  12   1.583  -4.021   1.909
  131    HZ1  LYS  12           HZ1      LYS  12   0.239  -5.144   0.267
  132    HZ2  LYS  12           HZ2      LYS  12   0.109  -5.932   1.758
  133    HZ3  LYS  12           HZ3      LYS  12   1.064  -6.598   0.533
  134    H    GLY  13           HN       GLY  13   6.776  -0.995  -1.668
  135    HA2  GLY  13           HA2      GLY  13   9.034  -2.549  -2.661
  136    HA3  GLY  13           HA1      GLY  13   8.353  -1.103  -3.400
  137    H    PHE  14           HN       PHE  14   8.396   0.260  -0.718
  138    HA   PHE  14           HA       PHE  14  11.020   1.395  -0.952
  139    HB2  PHE  14           HB2      PHE  14   9.488   2.989  -0.480
  140    HB3  PHE  14           HB1      PHE  14   8.458   1.905   0.407
  141    HD1  PHE  14           HD1      PHE  14   8.150   2.306   2.548
  142    HD2  PHE  14           HD2      PHE  14  11.816   3.485   0.775
  143    HE1  PHE  14           HE1      PHE  14   8.849   3.317   4.695
  144    HE2  PHE  14           HE2      PHE  14  12.539   4.503   2.904
  145    HZ   PHE  14           HZ       PHE  14  11.051   4.419   4.868
  146    H    ILE  15           HN       ILE  15   9.234  -0.301   1.586
  147    HA   ILE  15           HA       ILE  15  11.461  -0.520   3.356
  148    HB   ILE  15           HB       ILE  15  10.131  -2.104   4.641
  149   HG12  ILE  15          HG12      ILE  15   8.173  -1.968   2.335
  150   HG13  ILE  15          HG11      ILE  15   9.156  -3.364   2.764
  151   HG21  ILE  15          HG21      ILE  15   9.689   0.244   4.961
  152   HG22  ILE  15          HG22      ILE  15   8.181  -0.660   5.086
  153   HG23  ILE  15          HG23      ILE  15   8.547   0.246   3.618
  154   HD11  ILE  15          HD11      ILE  15   6.976  -2.137   4.433
  155   HD12  ILE  15          HD12      ILE  15   7.975  -3.513   4.903
  156   HD13  ILE  15          HD13      ILE  15   6.883  -3.646   3.525
  157    H    SER  16           HN       SER  16  10.647  -2.226   0.533
  158    HA   SER  16           HA       SER  16  12.761  -4.156   1.076
  159    HB2  SER  16           HB2      SER  16  10.013  -4.967   0.092
  160    HB3  SER  16           HB1      SER  16  11.396  -6.040   0.305
  161    HG   SER  16           HG       SER  16  11.135  -4.821   2.588
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1 -13.259   0.260   1.144
    2    H2   LYS   1           HT2      LYS   1 -13.017  -0.571  -0.305
    3    H3   LYS   1           HT3      LYS   1 -14.128   0.699  -0.236
    4    HA   LYS   1           HA       LYS   1 -12.089   1.355  -1.334
    5    HB2  LYS   1           HB2      LYS   1 -11.600   3.349   0.119
    6    HB3  LYS   1           HB1      LYS   1 -13.298   3.114  -0.263
    7    HG2  LYS   1           HG2      LYS   1 -13.707   2.197   1.931
    8    HG3  LYS   1           HG1      LYS   1 -11.988   2.277   2.317
    9    HD2  LYS   1           HD2      LYS   1 -13.681   4.676   1.641
   10    HD3  LYS   1           HD1      LYS   1 -13.361   4.128   3.286
   11    HE2  LYS   1           HE2      LYS   1 -10.966   4.444   2.930
   12    HE3  LYS   1           HE1      LYS   1 -11.272   4.958   1.273
   13    HZ1  LYS   1           HZ1      LYS   1 -12.507   6.845   2.115
   14    HZ2  LYS   1           HZ2      LYS   1 -10.942   6.840   2.748
   15    HZ3  LYS   1           HZ3      LYS   1 -12.242   6.349   3.710
   16    H    TRP   2           HN       TRP   2 -10.132   0.518  -1.585
   17    HA   TRP   2           HA       TRP   2  -8.334   0.463   0.677
   18    HB2  TRP   2           HB2      TRP   2  -9.156  -1.959  -0.870
   19    HB3  TRP   2           HB1      TRP   2  -7.507  -1.848  -0.266
   20    HD1  TRP   2           HD1      TRP   2  -7.350  -1.404   2.516
   21    HE1  TRP   2           HE1      TRP   2  -8.772  -2.489   4.367
   22    HE3  TRP   2           HE3      TRP   2 -11.330  -2.929  -0.306
   23    HZ2  TRP   2           HZ2      TRP   2 -11.258  -3.819   4.586
   24    HZ3  TRP   2           HZ3      TRP   2 -13.180  -4.103   0.816
   25    HH2  TRP   2           HH2      TRP   2 -13.124  -4.529   3.215
   26    H    ALA   3           HN       ALA   3  -8.567   2.138  -1.677
   27    HA   ALA   3           HA       ALA   3  -6.449   1.421  -3.461
   28    HB1  ALA   3           HB1      ALA   3  -7.635   4.151  -2.986
   29    HB2  ALA   3           HB2      ALA   3  -8.271   2.952  -4.113
   30    HB3  ALA   3           HB3      ALA   3  -6.667   3.641  -4.370
   31    H    VAL   4           HN       VAL   4  -6.666   2.940  -0.380
   32    HA   VAL   4           HA       VAL   4  -4.217   4.258  -0.244
   33    HB   VAL   4           HB       VAL   4  -5.491   2.746   2.035
   34   HG11  VAL   4          HG11      VAL   4  -3.335   3.725   2.507
   35   HG12  VAL   4          HG12      VAL   4  -4.612   4.595   3.360
   36   HG13  VAL   4          HG13      VAL   4  -3.899   5.281   1.903
   37   HG21  VAL   4          HG21      VAL   4  -7.275   3.983   1.005
   38   HG22  VAL   4          HG22      VAL   4  -6.267   5.429   0.912
   39   HG23  VAL   4          HG23      VAL   4  -6.780   4.812   2.483
   40    H    ARG   5           HN       ARG   5  -5.071   0.894  -0.155
   41    HA   ARG   5           HA       ARG   5  -2.649  -0.100   0.941
   42    HB2  ARG   5           HB2      ARG   5  -4.749  -1.440  -0.772
   43    HB3  ARG   5           HB1      ARG   5  -3.408  -2.285  -0.013
   44    HG2  ARG   5           HG2      ARG   5  -5.515  -0.735   1.478
   45    HG3  ARG   5           HG1      ARG   5  -5.531  -2.482   1.230
   46    HD2  ARG   5           HD2      ARG   5  -3.445  -2.698   2.445
   47    HD3  ARG   5           HD1      ARG   5  -3.345  -0.950   2.634
   48    HE   ARG   5           HE       ARG   5  -5.771  -1.775   3.721
   49   HH11  ARG   5          HH11      ARG   5  -2.356  -2.219   4.326
   50   HH12  ARG   5          HH12      ARG   5  -2.550  -2.409   6.037
   51   HH21  ARG   5          HH21      ARG   5  -6.037  -2.027   5.983
   52   HH22  ARG   5          HH22      ARG   5  -4.643  -2.296   6.981
   53    H    ILE   6           HN       ILE   6  -3.517   1.100  -2.154
   54    HA   ILE   6           HA       ILE   6  -1.434  -0.192  -3.640
   55    HB   ILE   6           HB       ILE   6  -2.831   2.408  -4.277
   56   HG12  ILE   6          HG12      ILE   6  -3.706  -0.385  -4.345
   57   HG13  ILE   6          HG11      ILE   6  -4.658   1.099  -4.405
   58   HG21  ILE   6          HG21      ILE   6  -1.321   0.475  -6.030
   59   HG22  ILE   6          HG22      ILE   6  -0.752   2.061  -5.513
   60   HG23  ILE   6          HG23      ILE   6  -2.155   1.931  -6.574
   61   HD11  ILE   6          HD11      ILE   6  -4.950  -0.216  -6.408
   62   HD12  ILE   6          HD12      ILE   6  -3.210  -0.173  -6.695
   63   HD13  ILE   6          HD13      ILE   6  -4.151   1.316  -6.767
   64    H    ILE   7           HN       ILE   7  -1.755   2.806  -1.794
   65    HA   ILE   7           HA       ILE   7   0.852   3.775  -2.390
   66    HB   ILE   7           HB       ILE   7  -1.016   4.348  -0.082
   67   HG12  ILE   7          HG12      ILE   7  -0.984   6.649  -1.188
   68   HG13  ILE   7          HG11      ILE   7  -0.172   5.883  -2.545
   69   HG21  ILE   7          HG21      ILE   7   0.493   6.144   0.593
   70   HG22  ILE   7          HG22      ILE   7   1.654   5.635  -0.633
   71   HG23  ILE   7          HG23      ILE   7   1.276   4.569   0.721
   72   HD11  ILE   7          HD11      ILE   7  -2.527   6.116  -2.990
   73   HD12  ILE   7          HD12      ILE   7  -2.922   5.239  -1.513
   74   HD13  ILE   7          HD13      ILE   7  -2.112   4.408  -2.840
   75    H    ARG   8           HN       ARG   8  -0.521   1.682   0.086
   76    HA   ARG   8           HA       ARG   8   1.860   1.171   1.516
   77    HB2  ARG   8           HB2      ARG   8  -0.496  -0.663   1.074
   78    HB3  ARG   8           HB1      ARG   8   0.735  -0.854   2.311
   79    HG2  ARG   8           HG2      ARG   8  -1.083   1.530   2.139
   80    HG3  ARG   8           HG1      ARG   8  -1.441   0.087   3.077
   81    HD2  ARG   8           HD2      ARG   8  -0.498   1.395   4.691
   82    HD3  ARG   8           HD1      ARG   8   0.923   0.540   4.104
   83    HE   ARG   8           HE       ARG   8   1.757   2.520   3.312
   84   HH11  ARG   8          HH11      ARG   8  -1.655   2.924   4.007
   85   HH12  ARG   8          HH12      ARG   8  -1.591   4.658   3.942
   86   HH21  ARG   8          HH21      ARG   8   1.834   4.822   3.246
   87   HH22  ARG   8          HH22      ARG   8   0.377   5.730   3.509
   88    H    LYS   9           HN       LYS   9   0.583  -0.015  -1.485
   89    HA   LYS   9           HA       LYS   9   2.216  -2.264  -1.893
   90    HB2  LYS   9           HB2      LYS   9   0.226  -1.485  -3.276
   91    HB3  LYS   9           HB1      LYS   9   1.334  -0.350  -4.040
   92    HG2  LYS   9           HG2      LYS   9   1.040  -2.354  -5.365
   93    HG3  LYS   9           HG1      LYS   9   2.707  -2.195  -4.818
   94    HD2  LYS   9           HD2      LYS   9   2.369  -3.820  -3.111
   95    HD3  LYS   9           HD1      LYS   9   0.626  -3.845  -3.418
   96    HE2  LYS   9           HE2      LYS   9   1.026  -4.764  -5.648
   97    HE3  LYS   9           HE1      LYS   9   2.765  -4.727  -5.360
   98    HZ1  LYS   9           HZ1      LYS   9   0.823  -6.311  -3.769
   99    HZ2  LYS   9           HZ2      LYS   9   2.507  -6.335  -3.614
  100    HZ3  LYS   9           HZ3      LYS   9   1.779  -6.931  -5.016
  101    H    PHE  10           HN       PHE  10   2.622   1.142  -2.654
  102    HA   PHE  10           HA       PHE  10   5.186   0.971  -3.809
  103    HB2  PHE  10           HB2      PHE  10   4.065   3.295  -2.235
  104    HB3  PHE  10           HB1      PHE  10   5.302   3.358  -3.485
  105    HD1  PHE  10           HD1      PHE  10   2.654   4.905  -3.257
  106    HD2  PHE  10           HD2      PHE  10   3.774   1.381  -5.351
  107    HE1  PHE  10           HE1      PHE  10   0.903   5.350  -4.928
  108    HE2  PHE  10           HE2      PHE  10   2.034   1.818  -7.032
  109    HZ   PHE  10           HZ       PHE  10   0.593   3.805  -6.821
  110    H    ILE  11           HN       ILE  11   4.017   1.213  -0.536
  111    HA   ILE  11           HA       ILE  11   6.531   1.655   0.714
  112    HB   ILE  11           HB       ILE  11   3.850   0.816   1.750
  113   HG12  ILE  11          HG12      ILE  11   3.800   2.919   2.733
  114   HG13  ILE  11          HG11      ILE  11   5.555   3.030   2.829
  115   HG21  ILE  11          HG21      ILE  11   4.788   0.752   4.022
  116   HG22  ILE  11          HG22      ILE  11   6.408   0.907   3.334
  117   HG23  ILE  11          HG23      ILE  11   5.440  -0.531   3.000
  118   HD11  ILE  11          HD11      ILE  11   3.971   3.196   0.291
  119   HD12  ILE  11          HD12      ILE  11   5.706   3.480   0.492
  120   HD13  ILE  11          HD13      ILE  11   4.536   4.592   1.218
  121    H    LYS  12           HN       LYS  12   4.778  -1.168  -0.310
  122    HA   LYS  12           HA       LYS  12   6.255  -3.121   1.067
  123    HB2  LYS  12           HB2      LYS  12   4.835  -3.183  -1.582
  124    HB3  LYS  12           HB1      LYS  12   5.724  -4.580  -0.994
  125    HG2  LYS  12           HG2      LYS  12   4.320  -4.426   1.104
  126    HG3  LYS  12           HG1      LYS  12   3.314  -3.271   0.227
  127    HD2  LYS  12           HD2      LYS  12   2.724  -4.893  -1.401
  128    HD3  LYS  12           HD1      LYS  12   3.957  -6.013  -0.830
  129    HE2  LYS  12           HE2      LYS  12   2.716  -6.106   1.354
  130    HE3  LYS  12           HE1      LYS  12   1.423  -5.193   0.578
  131    HZ1  LYS  12           HZ1      LYS  12   1.030  -7.597   0.553
  132    HZ2  LYS  12           HZ2      LYS  12   2.438  -7.827  -0.352
  133    HZ3  LYS  12           HZ3      LYS  12   1.140  -6.968  -1.011
  134    H    GLY  13           HN       GLY  13   6.982  -1.377  -1.906
  135    HA2  GLY  13           HA2      GLY  13   9.533  -2.745  -2.198
  136    HA3  GLY  13           HA1      GLY  13   8.921  -1.443  -3.215
  137    H    PHE  14           HN       PHE  14   8.316   0.397  -1.181
  138    HA   PHE  14           HA       PHE  14  10.490   1.919  -0.804
  139    HB2  PHE  14           HB2      PHE  14   8.002   2.275  -0.350
  140    HB3  PHE  14           HB1      PHE  14   8.325   1.610   1.248
  141    HD1  PHE  14           HD1      PHE  14  10.237   3.884  -0.893
  142    HD2  PHE  14           HD2      PHE  14   8.150   3.287   2.729
  143    HE1  PHE  14           HE1      PHE  14  10.940   6.142  -0.143
  144    HE2  PHE  14           HE2      PHE  14   8.833   5.529   3.520
  145    HZ   PHE  14           HZ       PHE  14  10.231   6.958   2.076
  146    H    ILE  15           HN       ILE  15   9.248  -0.438   1.567
  147    HA   ILE  15           HA       ILE  15  11.223   0.133   3.513
  148    HB   ILE  15           HB       ILE  15  10.467  -1.926   4.648
  149   HG12  ILE  15          HG12      ILE  15   8.639  -2.229   2.252
  150   HG13  ILE  15          HG11      ILE  15  10.014  -3.267   2.615
  151   HG21  ILE  15          HG21      ILE  15   8.281  -0.113   3.638
  152   HG22  ILE  15          HG22      ILE  15   9.321   0.171   5.034
  153   HG23  ILE  15          HG23      ILE  15   8.166  -1.162   5.050
  154   HD11  ILE  15          HD11      ILE  15   7.917  -4.307   3.260
  155   HD12  ILE  15          HD12      ILE  15   7.554  -2.943   4.317
  156   HD13  ILE  15          HD13      ILE  15   8.926  -3.992   4.672
  157    H    SER  16           HN       SER  16  11.406  -1.811   0.682
  158    HA   SER  16           HA       SER  16  14.036  -2.744   1.519
  159    HB2  SER  16           HB2      SER  16  11.906  -4.636   0.494
  160    HB3  SER  16           HB1      SER  16  13.583  -5.060   0.842
  161    HG   SER  16           HG       SER  16  12.597  -3.854   2.986
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1 -13.427   1.206   0.431
    2    H2   LYS   1           HT2      LYS   1 -14.072   2.152  -0.810
    3    H3   LYS   1           HT3      LYS   1 -12.880   2.788   0.205
    4    HA   LYS   1           HA       LYS   1 -12.526   0.545  -1.687
    5    HB2  LYS   1           HB2      LYS   1 -11.648   3.430  -1.759
    6    HB3  LYS   1           HB1      LYS   1 -10.930   2.189  -2.776
    7    HG2  LYS   1           HG2      LYS   1 -13.195   1.732  -3.698
    8    HG3  LYS   1           HG1      LYS   1 -13.789   3.118  -2.786
    9    HD2  LYS   1           HD2      LYS   1 -12.242   4.576  -3.982
   10    HD3  LYS   1           HD1      LYS   1 -11.613   3.190  -4.873
   11    HE2  LYS   1           HE2      LYS   1 -13.864   2.809  -5.804
   12    HE3  LYS   1           HE1      LYS   1 -14.430   4.253  -4.967
   13    HZ1  LYS   1           HZ1      LYS   1 -12.869   5.570  -6.250
   14    HZ2  LYS   1           HZ2      LYS   1 -13.899   4.712  -7.277
   15    HZ3  LYS   1           HZ3      LYS   1 -12.309   4.184  -7.043
   16    H    TRP   2           HN       TRP   2 -10.026   0.390  -2.078
   17    HA   TRP   2           HA       TRP   2  -8.640   0.522   0.470
   18    HB2  TRP   2           HB2      TRP   2  -7.762  -1.781   0.106
   19    HB3  TRP   2           HB1      TRP   2  -9.501  -1.734   0.368
   20    HD1  TRP   2           HD1      TRP   2 -11.068  -2.180  -1.822
   21    HE1  TRP   2           HE1      TRP   2 -10.601  -3.527  -3.964
   22    HE3  TRP   2           HE3      TRP   2  -5.973  -2.467  -1.518
   23    HZ2  TRP   2           HZ2      TRP   2  -8.365  -4.573  -5.334
   24    HZ3  TRP   2           HZ3      TRP   2  -4.758  -3.666  -3.293
   25    HH2  TRP   2           HH2      TRP   2  -5.952  -4.692  -5.155
   26    H    ALA   3           HN       ALA   3  -8.524   1.997  -2.120
   27    HA   ALA   3           HA       ALA   3  -6.141   1.197  -3.449
   28    HB1  ALA   3           HB1      ALA   3  -7.955   2.616  -4.452
   29    HB2  ALA   3           HB2      ALA   3  -6.303   3.173  -4.718
   30    HB3  ALA   3           HB3      ALA   3  -7.313   3.959  -3.502
   31    H    VAL   4           HN       VAL   4  -6.699   2.719  -0.490
   32    HA   VAL   4           HA       VAL   4  -4.356   4.240  -0.236
   33    HB   VAL   4           HB       VAL   4  -5.813   2.733   1.943
   34   HG11  VAL   4          HG11      VAL   4  -4.106   5.195   1.985
   35   HG12  VAL   4          HG12      VAL   4  -3.689   3.614   2.645
   36   HG13  VAL   4          HG13      VAL   4  -5.001   4.554   3.358
   37   HG21  VAL   4          HG21      VAL   4  -7.072   4.827   2.283
   38   HG22  VAL   4          HG22      VAL   4  -7.431   4.049   0.741
   39   HG23  VAL   4          HG23      VAL   4  -6.370   5.457   0.796
   40    H    ARG   5           HN       ARG   5  -5.089   0.830   0.011
   41    HA   ARG   5           HA       ARG   5  -2.610   0.017   1.161
   42    HB2  ARG   5           HB2      ARG   5  -4.493  -1.588  -0.580
   43    HB3  ARG   5           HB1      ARG   5  -3.212  -2.237   0.429
   44    HG2  ARG   5           HG2      ARG   5  -5.714  -0.854   1.356
   45    HG3  ARG   5           HG1      ARG   5  -5.318  -2.567   1.514
   46    HD2  ARG   5           HD2      ARG   5  -3.882  -0.265   2.822
   47    HD3  ARG   5           HD1      ARG   5  -4.955  -1.411   3.619
   48    HE   ARG   5           HE       ARG   5  -2.975  -2.935   2.465
   49   HH11  ARG   5          HH11      ARG   5  -3.139  -0.349   4.817
   50   HH12  ARG   5          HH12      ARG   5  -1.707  -0.848   5.660
   51   HH21  ARG   5          HH21      ARG   5  -1.083  -3.597   3.559
   52   HH22  ARG   5          HH22      ARG   5  -0.523  -2.695   4.934
   53    H    ILE   6           HN       ILE   6  -3.547   1.053  -1.953
   54    HA   ILE   6           HA       ILE   6  -1.469  -0.175  -3.479
   55    HB   ILE   6           HB       ILE   6  -3.297   2.179  -3.930
   56   HG12  ILE   6          HG12      ILE   6  -4.262   0.897  -5.656
   57   HG13  ILE   6          HG11      ILE   6  -2.883  -0.195  -5.738
   58   HG21  ILE   6          HG21      ILE   6  -2.312   2.513  -6.157
   59   HG22  ILE   6          HG22      ILE   6  -1.021   1.388  -5.734
   60   HG23  ILE   6          HG23      ILE   6  -1.191   2.905  -4.854
   61   HD11  ILE   6          HD11      ILE   6  -4.954  -1.163  -4.758
   62   HD12  ILE   6          HD12      ILE   6  -4.765  -0.052  -3.400
   63   HD13  ILE   6          HD13      ILE   6  -3.534  -1.268  -3.720
   64    H    ILE   7           HN       ILE   7  -1.791   2.837  -1.663
   65    HA   ILE   7           HA       ILE   7   0.770   3.890  -2.260
   66    HB   ILE   7           HB       ILE   7  -1.127   4.288   0.048
   67   HG12  ILE   7          HG12      ILE   7  -1.057   6.656  -0.826
   68   HG13  ILE   7          HG11      ILE   7  -0.099   6.057  -2.172
   69   HG21  ILE   7          HG21      ILE   7   0.365   6.003   0.959
   70   HG22  ILE   7          HG22      ILE   7   1.602   5.539  -0.209
   71   HG23  ILE   7          HG23      ILE   7   1.086   4.396   1.031
   72   HD11  ILE   7          HD11      ILE   7  -2.420   6.303  -2.800
   73   HD12  ILE   7          HD12      ILE   7  -2.907   5.229  -1.489
   74   HD13  ILE   7          HD13      ILE   7  -1.950   4.603  -2.830
   75    H    ARG   8           HN       ARG   8  -0.445   1.702   0.220
   76    HA   ARG   8           HA       ARG   8   2.059   1.308   1.506
   77    HB2  ARG   8           HB2      ARG   8  -0.362  -0.502   1.442
   78    HB3  ARG   8           HB1      ARG   8   0.976  -0.609   2.581
   79    HG2  ARG   8           HG2      ARG   8  -0.925   1.712   2.311
   80    HG3  ARG   8           HG1      ARG   8  -0.964   0.481   3.573
   81    HD2  ARG   8           HD2      ARG   8   1.173   1.197   4.417
   82    HD3  ARG   8           HD1      ARG   8   1.390   2.297   3.057
   83    HE   ARG   8           HE       ARG   8  -0.905   2.749   4.799
   84   HH11  ARG   8          HH11      ARG   8   2.336   3.685   3.837
   85   HH12  ARG   8          HH12      ARG   8   2.241   5.249   4.577
   86   HH21  ARG   8          HH21      ARG   8  -1.033   4.815   5.758
   87   HH22  ARG   8          HH22      ARG   8   0.321   5.898   5.657
   88    H    LYS   9           HN       LYS   9   0.625   0.088  -1.368
   89    HA   LYS   9           HA       LYS   9   2.201  -2.226  -1.754
   90    HB2  LYS   9           HB2      LYS   9   0.124  -1.529  -3.028
   91    HB3  LYS   9           HB1      LYS   9   1.154  -0.407  -3.909
   92    HG2  LYS   9           HG2      LYS   9   0.832  -2.426  -5.165
   93    HG3  LYS   9           HG1      LYS   9   2.518  -2.282  -4.684
   94    HD2  LYS   9           HD2      LYS   9   2.188  -3.862  -2.903
   95    HD3  LYS   9           HD1      LYS   9   0.450  -3.910  -3.226
   96    HE2  LYS   9           HE2      LYS   9   0.833  -4.915  -5.386
   97    HE3  LYS   9           HE1      LYS   9   2.576  -4.745  -5.199
   98    HZ1  LYS   9           HZ1      LYS   9   0.833  -6.439  -3.494
   99    HZ2  LYS   9           HZ2      LYS   9   2.515  -6.304  -3.376
  100    HZ3  LYS   9           HZ3      LYS   9   1.818  -7.001  -4.748
  101    H    PHE  10           HN       PHE  10   2.603   1.168  -2.533
  102    HA   PHE  10           HA       PHE  10   5.071   0.975  -3.905
  103    HB2  PHE  10           HB2      PHE  10   3.992   3.289  -2.271
  104    HB3  PHE  10           HB1      PHE  10   5.255   3.384  -3.495
  105    HD1  PHE  10           HD1      PHE  10   2.825   5.074  -3.452
  106    HD2  PHE  10           HD2      PHE  10   3.551   1.297  -5.252
  107    HE1  PHE  10           HE1      PHE  10   1.107   5.563  -5.148
  108    HE2  PHE  10           HE2      PHE  10   1.841   1.772  -6.960
  109    HZ   PHE  10           HZ       PHE  10   0.615   3.909  -6.907
  110    H    ILE  11           HN       ILE  11   4.130   1.138  -0.592
  111    HA   ILE  11           HA       ILE  11   6.796   1.518   0.438
  112    HB   ILE  11           HB       ILE  11   4.123   1.075   1.738
  113   HG12  ILE  11          HG12      ILE  11   4.447   3.247   2.632
  114   HG13  ILE  11          HG11      ILE  11   6.172   3.219   2.293
  115   HG21  ILE  11          HG21      ILE  11   5.241   1.160   3.930
  116   HG22  ILE  11          HG22      ILE  11   6.802   1.055   3.106
  117   HG23  ILE  11          HG23      ILE  11   5.663  -0.290   3.016
  118   HD11  ILE  11          HD11      ILE  11   5.134   4.706   0.760
  119   HD12  ILE  11          HD12      ILE  11   3.930   3.490   0.320
  120   HD13  ILE  11          HD13      ILE  11   5.623   3.254  -0.126
  121    H    LYS  12           HN       LYS  12   4.726  -1.136  -0.358
  122    HA   LYS  12           HA       LYS  12   6.429  -3.112   0.860
  123    HB2  LYS  12           HB2      LYS  12   4.319  -3.329  -1.289
  124    HB3  LYS  12           HB1      LYS  12   5.216  -4.707  -0.665
  125    HG2  LYS  12           HG2      LYS  12   4.364  -4.143   1.607
  126    HG3  LYS  12           HG1      LYS  12   3.345  -2.913   0.858
  127    HD2  LYS  12           HD2      LYS  12   2.076  -4.948   1.220
  128    HD3  LYS  12           HD1      LYS  12   2.279  -4.655  -0.508
  129    HE2  LYS  12           HE2      LYS  12   4.039  -6.291  -0.631
  130    HE3  LYS  12           HE1      LYS  12   4.018  -6.500   1.119
  131    HZ1  LYS  12           HZ1      LYS  12   2.848  -8.267  -0.114
  132    HZ2  LYS  12           HZ2      LYS  12   1.729  -7.123  -0.661
  133    HZ3  LYS  12           HZ3      LYS  12   1.856  -7.463   0.990
  134    H    GLY  13           HN       GLY  13   6.512  -1.150  -1.899
  135    HA2  GLY  13           HA2      GLY  13   8.598  -2.702  -3.202
  136    HA3  GLY  13           HA1      GLY  13   7.950  -1.154  -3.740
  137    H    PHE  14           HN       PHE  14   8.265  -0.100  -0.934
  138    HA   PHE  14           HA       PHE  14  10.666   1.221  -1.001
  139    HB2  PHE  14           HB2      PHE  14   8.573   0.901   0.819
  140    HB3  PHE  14           HB1      PHE  14  10.008   0.413   1.708
  141    HD1  PHE  14           HD1      PHE  14  12.078   2.093   1.227
  142    HD2  PHE  14           HD2      PHE  14   7.939   3.041   1.075
  143    HE1  PHE  14           HE1      PHE  14  12.615   4.459   1.662
  144    HE2  PHE  14           HE2      PHE  14   8.460   5.415   1.500
  145    HZ   PHE  14           HZ       PHE  14  10.803   6.122   1.795
  146    H    ILE  15           HN       ILE  15  10.072  -1.432   1.229
  147    HA   ILE  15           HA       ILE  15  11.399  -2.879   2.329
  148    HB   ILE  15           HB       ILE  15  12.663  -4.457   1.008
  149   HG12  ILE  15          HG12      ILE  15  12.256  -2.577  -1.330
  150   HG13  ILE  15          HG11      ILE  15  13.792  -2.890  -0.530
  151   HG21  ILE  15          HG21      ILE  15  10.889  -5.167  -0.530
  152   HG22  ILE  15          HG22      ILE  15  10.120  -3.589  -0.351
  153   HG23  ILE  15          HG23      ILE  15  10.256  -4.666   1.039
  154   HD11  ILE  15          HD11      ILE  15  13.608  -4.116  -2.619
  155   HD12  ILE  15          HD12      ILE  15  12.145  -4.908  -2.037
  156   HD13  ILE  15          HD13      ILE  15  13.689  -5.220  -1.246
  157    H    SER  16           HN       SER  16  13.959  -3.774   2.125
  158    HA   SER  16           HA       SER  16  15.727  -1.474   2.139
  159    HB2  SER  16           HB2      SER  16  15.282  -3.159   4.621
  160    HB3  SER  16           HB1      SER  16  16.499  -1.894   4.442
  161    HG   SER  16           HG       SER  16  14.144  -0.875   3.742
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1 -11.261   1.419   2.102
    2    H2   LYS   1           HT2      LYS   1 -11.839   1.616   0.524
    3    H3   LYS   1           HT3      LYS   1 -12.129   2.806   1.683
    4    HA   LYS   1           HA       LYS   1 -10.377   3.447   0.141
    5    HB2  LYS   1           HB2      LYS   1  -9.468   2.937   2.983
    6    HB3  LYS   1           HB1      LYS   1  -8.709   4.058   1.864
    7    HG2  LYS   1           HG2      LYS   1 -10.756   5.387   1.793
    8    HG3  LYS   1           HG1      LYS   1 -11.525   4.258   2.910
    9    HD2  LYS   1           HD2      LYS   1  -9.829   4.788   4.602
   10    HD3  LYS   1           HD1      LYS   1  -9.079   5.927   3.482
   11    HE2  LYS   1           HE2      LYS   1 -11.150   7.238   3.440
   12    HE3  LYS   1           HE1      LYS   1 -11.886   6.104   4.572
   13    HZ1  LYS   1           HZ1      LYS   1 -10.226   6.708   6.212
   14    HZ2  LYS   1           HZ2      LYS   1 -11.058   8.081   5.688
   15    HZ3  LYS   1           HZ3      LYS   1  -9.494   7.777   5.122
   16    H    TRP   2           HN       TRP   2 -10.270   1.212  -1.018
   17    HA   TRP   2           HA       TRP   2  -8.328  -0.616  -0.008
   18    HB2  TRP   2           HB2      TRP   2  -9.861  -0.580  -2.601
   19    HB3  TRP   2           HB1      TRP   2  -8.789  -1.887  -2.105
   20    HD1  TRP   2           HD1      TRP   2 -12.319  -0.952  -1.995
   21    HE1  TRP   2           HE1      TRP   2 -13.605  -2.359  -0.261
   22    HE3  TRP   2           HE3      TRP   2  -8.350  -2.930   0.549
   23    HZ2  TRP   2           HZ2      TRP   2 -12.995  -4.083   1.908
   24    HZ3  TRP   2           HZ3      TRP   2  -8.800  -4.444   2.440
   25    HH2  TRP   2           HH2      TRP   2 -11.084  -4.993   3.087
   26    H    ALA   3           HN       ALA   3  -8.372   1.818  -2.553
   27    HA   ALA   3           HA       ALA   3  -5.869   1.016  -3.655
   28    HB1  ALA   3           HB1      ALA   3  -7.606   2.370  -4.862
   29    HB2  ALA   3           HB2      ALA   3  -5.946   2.945  -5.000
   30    HB3  ALA   3           HB3      ALA   3  -7.074   3.756  -3.908
   31    H    VAL   4           HN       VAL   4  -6.677   2.562  -0.771
   32    HA   VAL   4           HA       VAL   4  -4.366   4.195  -0.495
   33    HB   VAL   4           HB       VAL   4  -6.261   3.026   1.551
   34   HG11  VAL   4          HG11      VAL   4  -4.151   3.468   2.612
   35   HG12  VAL   4          HG12      VAL   4  -5.325   4.696   3.087
   36   HG13  VAL   4          HG13      VAL   4  -4.091   5.073   1.887
   37   HG21  VAL   4          HG21      VAL   4  -6.019   5.766   0.329
   38   HG22  VAL   4          HG22      VAL   4  -7.082   5.352   1.672
   39   HG23  VAL   4          HG23      VAL   4  -7.333   4.612   0.087
   40    H    ARG   5           HN       ARG   5  -5.154   0.851  -0.008
   41    HA   ARG   5           HA       ARG   5  -2.793   0.132   1.434
   42    HB2  ARG   5           HB2      ARG   5  -4.927  -1.211   1.358
   43    HB3  ARG   5           HB1      ARG   5  -4.538  -1.633  -0.302
   44    HG2  ARG   5           HG2      ARG   5  -3.916  -3.442   1.134
   45    HG3  ARG   5           HG1      ARG   5  -2.451  -2.692   0.499
   46    HD2  ARG   5           HD2      ARG   5  -2.159  -1.469   2.587
   47    HD3  ARG   5           HD1      ARG   5  -3.648  -2.170   3.218
   48    HE   ARG   5           HE       ARG   5  -1.797  -4.183   2.418
   49   HH11  ARG   5          HH11      ARG   5  -2.529  -1.917   4.985
   50   HH12  ARG   5          HH12      ARG   5  -1.749  -2.854   6.216
   51   HH21  ARG   5          HH21      ARG   5  -0.766  -5.429   4.045
   52   HH22  ARG   5          HH22      ARG   5  -0.740  -4.850   5.682
   53    H    ILE   6           HN       ILE   6  -3.610   0.747  -1.835
   54    HA   ILE   6           HA       ILE   6  -1.442  -0.552  -3.139
   55    HB   ILE   6           HB       ILE   6  -3.316   1.691  -3.894
   56   HG12  ILE   6          HG12      ILE   6  -4.229   0.209  -5.474
   57   HG13  ILE   6          HG11      ILE   6  -2.833  -0.865  -5.417
   58   HG21  ILE   6          HG21      ILE   6  -2.299   1.775  -6.131
   59   HG22  ILE   6          HG22      ILE   6  -0.994   0.738  -5.557
   60   HG23  ILE   6          HG23      ILE   6  -1.211   2.346  -4.866
   61   HD11  ILE   6          HD11      ILE   6  -4.831  -0.504  -3.195
   62   HD12  ILE   6          HD12      ILE   6  -3.500  -1.659  -3.239
   63   HD13  ILE   6          HD13      ILE   6  -4.841  -1.813  -4.373
   64    H    ILE   7           HN       ILE   7  -1.926   2.709  -1.800
   65    HA   ILE   7           HA       ILE   7   0.612   3.751  -2.426
   66    HB   ILE   7           HB       ILE   7  -1.355   4.369  -0.233
   67   HG12  ILE   7          HG12      ILE   7  -1.341   6.606  -1.379
   68   HG13  ILE   7          HG11      ILE   7  -0.274   5.918  -2.596
   69   HG21  ILE   7          HG21      ILE   7   0.836   4.654   0.788
   70   HG22  ILE   7          HG22      ILE   7   0.057   6.213   0.526
   71   HG23  ILE   7          HG23      ILE   7   1.342   5.678  -0.556
   72   HD11  ILE   7          HD11      ILE   7  -2.014   4.304  -3.186
   73   HD12  ILE   7          HD12      ILE   7  -2.553   5.973  -3.383
   74   HD13  ILE   7          HD13      ILE   7  -3.080   5.033  -1.986
   75    H    ARG   8           HN       ARG   8  -0.553   1.830   0.288
   76    HA   ARG   8           HA       ARG   8   1.910   1.746   1.702
   77    HB2  ARG   8           HB2      ARG   8  -0.317  -0.295   1.739
   78    HB3  ARG   8           HB1      ARG   8   0.934  -0.087   2.957
   79    HG2  ARG   8           HG2      ARG   8  -1.251   1.869   2.280
   80    HG3  ARG   8           HG1      ARG   8  -1.146   0.861   3.720
   81    HD2  ARG   8           HD2      ARG   8   0.880   2.029   4.406
   82    HD3  ARG   8           HD1      ARG   8   0.813   3.018   2.948
   83    HE   ARG   8           HE       ARG   8  -1.558   3.140   4.580
   84   HH11  ARG   8          HH11      ARG   8   1.619   4.507   4.046
   85   HH12  ARG   8          HH12      ARG   8   1.212   6.042   4.735
   86   HH21  ARG   8          HH21      ARG   8  -2.091   5.145   5.502
   87   HH22  ARG   8          HH22      ARG   8  -0.896   6.400   5.582
   88    H    LYS   9           HN       LYS   9   0.745   0.145  -1.105
   89    HA   LYS   9           HA       LYS   9   2.497  -2.106  -1.038
   90    HB2  LYS   9           HB2      LYS   9   0.357  -1.745  -2.454
   91    HB3  LYS   9           HB1      LYS   9   1.431  -0.895  -3.566
   92    HG2  LYS   9           HG2      LYS   9   1.176  -3.155  -4.272
   93    HG3  LYS   9           HG1      LYS   9   2.823  -2.926  -3.685
   94    HD2  LYS   9           HD2      LYS   9   2.186  -3.901  -1.538
   95    HD3  LYS   9           HD1      LYS   9   0.538  -4.129  -2.136
   96    HE2  LYS   9           HE2      LYS   9   3.003  -5.348  -3.353
   97    HE3  LYS   9           HE1      LYS   9   1.926  -6.180  -2.234
   98    HZ1  LYS   9           HZ1      LYS   9   1.165  -5.107  -4.896
   99    HZ2  LYS   9           HZ2      LYS   9   0.133  -5.914  -3.826
  100    HZ3  LYS   9           HZ3      LYS   9   1.431  -6.737  -4.529
  101    H    PHE  10           HN       PHE  10   2.629   1.146  -2.277
  102    HA   PHE  10           HA       PHE  10   5.121   0.914  -3.633
  103    HB2  PHE  10           HB2      PHE  10   3.842   3.362  -2.409
  104    HB3  PHE  10           HB1      PHE  10   5.104   3.353  -3.637
  105    HD1  PHE  10           HD1      PHE  10   2.441   4.753  -3.799
  106    HD2  PHE  10           HD2      PHE  10   3.701   0.905  -5.082
  107    HE1  PHE  10           HE1      PHE  10   0.712   4.776  -5.547
  108    HE2  PHE  10           HE2      PHE  10   1.985   0.923  -6.847
  109    HZ   PHE  10           HZ       PHE  10   0.485   2.862  -7.076
  110    H    ILE  11           HN       ILE  11   4.102   1.525  -0.404
  111    HA   ILE  11           HA       ILE  11   6.674   2.204   0.659
  112    HB   ILE  11           HB       ILE  11   4.040   1.466   1.886
  113   HG12  ILE  11          HG12      ILE  11   4.077   3.670   2.734
  114   HG13  ILE  11          HG11      ILE  11   5.812   3.828   2.486
  115   HG21  ILE  11          HG21      ILE  11   6.663   1.701   3.332
  116   HG22  ILE  11          HG22      ILE  11   5.614   0.283   3.256
  117   HG23  ILE  11          HG23      ILE  11   5.082   1.728   4.118
  118   HD11  ILE  11          HD11      ILE  11   3.669   3.795   0.386
  119   HD12  ILE  11          HD12      ILE  11   5.402   3.751   0.043
  120   HD13  ILE  11          HD13      ILE  11   4.692   5.155   0.860
  121    H    LYS  12           HN       LYS  12   4.829  -0.716   0.184
  122    HA   LYS  12           HA       LYS  12   6.819  -2.425   1.355
  123    HB2  LYS  12           HB2      LYS  12   4.538  -2.986  -0.541
  124    HB3  LYS  12           HB1      LYS  12   5.615  -4.237   0.073
  125    HG2  LYS  12           HG2      LYS  12   4.961  -3.666   2.360
  126    HG3  LYS  12           HG1      LYS  12   3.861  -2.439   1.731
  127    HD2  LYS  12           HD2      LYS  12   2.562  -4.137   0.601
  128    HD3  LYS  12           HD1      LYS  12   3.702  -5.386   1.114
  129    HE2  LYS  12           HE2      LYS  12   1.705  -5.354   2.529
  130    HE3  LYS  12           HE1      LYS  12   3.162  -4.954   3.437
  131    HZ1  LYS  12           HZ1      LYS  12   1.183  -2.998   2.402
  132    HZ2  LYS  12           HZ2      LYS  12   2.582  -2.617   3.270
  133    HZ3  LYS  12           HZ3      LYS  12   1.341  -3.484   4.014
  134    H    GLY  13           HN       GLY  13   6.554  -0.636  -1.475
  135    HA2  GLY  13           HA2      GLY  13   8.503  -2.096  -3.008
  136    HA3  GLY  13           HA1      GLY  13   7.918  -0.462  -3.329
  137    H    PHE  14           HN       PHE  14   8.511   0.817  -0.914
  138    HA   PHE  14           HA       PHE  14  11.248   1.310  -0.992
  139    HB2  PHE  14           HB2      PHE  14   9.227   1.672   1.221
  140    HB3  PHE  14           HB1      PHE  14  10.817   2.368   1.200
  141    HD1  PHE  14           HD1      PHE  14  10.995   3.262  -1.629
  142    HD2  PHE  14           HD2      PHE  14   7.854   3.486   1.221
  143    HE1  PHE  14           HE1      PHE  14  10.106   5.246  -2.783
  144    HE2  PHE  14           HE2      PHE  14   6.945   5.471   0.068
  145    HZ   PHE  14           HZ       PHE  14   8.073   6.352  -1.936
  146    H    ILE  15           HN       ILE  15   9.383  -0.311   1.556
  147    HA   ILE  15           HA       ILE  15  11.770  -1.903   2.202
  148    HB   ILE  15           HB       ILE  15  10.482  -2.457   4.332
  149   HG12  ILE  15          HG12      ILE  15   8.871  -0.063   3.413
  150   HG13  ILE  15          HG11      ILE  15   8.267  -1.707   3.591
  151   HG21  ILE  15          HG21      ILE  15  11.366   0.378   3.830
  152   HG22  ILE  15          HG22      ILE  15  12.403  -0.976   4.283
  153   HG23  ILE  15          HG23      ILE  15  11.189  -0.375   5.414
  154   HD11  ILE  15          HD11      ILE  15   9.292   0.036   5.819
  155   HD12  ILE  15          HD12      ILE  15   8.643  -1.594   5.987
  156   HD13  ILE  15          HD13      ILE  15   7.598  -0.281   5.447
  157    H    SER  16           HN       SER  16  11.639  -3.539   0.744
  158    HA   SER  16           HA       SER  16   9.193  -5.113   0.587
  159    HB2  SER  16           HB2      SER  16  11.812  -5.451  -0.899
  160    HB3  SER  16           HB1      SER  16  10.296  -6.283  -1.251
  161    HG   SER  16           HG       SER  16   9.608  -3.816  -1.303
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1 -11.696   2.313  -0.297
    2    H2   LYS   1           HT2      LYS   1 -12.298   3.141   1.044
    3    H3   LYS   1           HT3      LYS   1 -11.866   1.515   1.182
    4    HA   LYS   1           HA       LYS   1  -9.993   3.719   0.570
    5    HB2  LYS   1           HB2      LYS   1 -10.447   2.199   3.141
    6    HB3  LYS   1           HB1      LYS   1  -9.127   3.324   2.860
    7    HG2  LYS   1           HG2      LYS   1 -10.711   5.146   2.590
    8    HG3  LYS   1           HG1      LYS   1 -12.054   4.028   2.811
    9    HD2  LYS   1           HD2      LYS   1  -9.924   4.671   4.850
   10    HD3  LYS   1           HD1      LYS   1 -11.586   5.260   4.866
   11    HE2  LYS   1           HE2      LYS   1 -10.718   2.380   5.093
   12    HE3  LYS   1           HE1      LYS   1 -11.300   3.394   6.409
   13    HZ1  LYS   1           HZ1      LYS   1 -13.058   1.983   5.618
   14    HZ2  LYS   1           HZ2      LYS   1 -12.862   2.533   4.032
   15    HZ3  LYS   1           HZ3      LYS   1 -13.426   3.585   5.229
   16    H    TRP   2           HN       TRP   2 -10.354   1.148  -0.821
   17    HA   TRP   2           HA       TRP   2  -8.332  -0.602   0.186
   18    HB2  TRP   2           HB2      TRP   2  -9.869  -0.695  -2.411
   19    HB3  TRP   2           HB1      TRP   2  -8.834  -1.979  -1.796
   20    HD1  TRP   2           HD1      TRP   2  -9.754  -2.321   1.116
   21    HE1  TRP   2           HE1      TRP   2 -12.136  -3.113   1.695
   22    HE3  TRP   2           HE3      TRP   2 -12.114  -1.064  -3.242
   23    HZ2  TRP   2           HZ2      TRP   2 -14.673  -3.195   0.452
   24    HZ3  TRP   2           HZ3      TRP   2 -14.520  -1.545  -3.453
   25    HH2  TRP   2           HH2      TRP   2 -15.754  -2.592  -1.628
   26    H    ALA   3           HN       ALA   3  -8.485   1.983  -2.123
   27    HA   ALA   3           HA       ALA   3  -6.085   1.211  -3.493
   28    HB1  ALA   3           HB1      ALA   3  -7.321   3.946  -3.520
   29    HB2  ALA   3           HB2      ALA   3  -7.901   2.608  -4.512
   30    HB3  ALA   3           HB3      ALA   3  -6.255   3.214  -4.723
   31    H    VAL   4           HN       VAL   4  -6.710   2.595  -0.489
   32    HA   VAL   4           HA       VAL   4  -4.432   4.243  -0.218
   33    HB   VAL   4           HB       VAL   4  -5.894   2.716   1.944
   34   HG11  VAL   4          HG11      VAL   4  -5.124   4.519   3.382
   35   HG12  VAL   4          HG12      VAL   4  -4.250   5.220   2.022
   36   HG13  VAL   4          HG13      VAL   4  -3.778   3.643   2.653
   37   HG21  VAL   4          HG21      VAL   4  -7.477   4.028   0.649
   38   HG22  VAL   4          HG22      VAL   4  -6.451   5.454   0.829
   39   HG23  VAL   4          HG23      VAL   4  -7.224   4.742   2.243
   40    H    ARG   5           HN       ARG   5  -5.083   0.839   0.076
   41    HA   ARG   5           HA       ARG   5  -2.578   0.112   1.230
   42    HB2  ARG   5           HB2      ARG   5  -4.512  -1.583  -0.365
   43    HB3  ARG   5           HB1      ARG   5  -3.211  -2.181   0.657
   44    HG2  ARG   5           HG2      ARG   5  -5.589  -0.600   1.620
   45    HG3  ARG   5           HG1      ARG   5  -5.402  -2.350   1.740
   46    HD2  ARG   5           HD2      ARG   5  -3.612  -2.157   3.263
   47    HD3  ARG   5           HD1      ARG   5  -3.407  -0.440   2.923
   48    HE   ARG   5           HE       ARG   5  -5.915  -0.552   3.910
   49   HH11  ARG   5          HH11      ARG   5  -2.869  -1.811   5.083
   50   HH12  ARG   5          HH12      ARG   5  -3.284  -1.610   6.756
   51   HH21  ARG   5          HH21      ARG   5  -6.464  -0.280   6.106
   52   HH22  ARG   5          HH22      ARG   5  -5.330  -0.750   7.335
   53    H    ILE   6           HN       ILE   6  -3.636   0.975  -1.896
   54    HA   ILE   6           HA       ILE   6  -1.538  -0.206  -3.428
   55    HB   ILE   6           HB       ILE   6  -3.469   2.061  -3.877
   56   HG12  ILE   6          HG12      ILE   6  -4.379   0.730  -5.593
   57   HG13  ILE   6          HG11      ILE   6  -2.951  -0.297  -5.683
   58   HG21  ILE   6          HG21      ILE   6  -1.380   2.869  -4.811
   59   HG22  ILE   6          HG22      ILE   6  -2.527   2.476  -6.093
   60   HG23  ILE   6          HG23      ILE   6  -1.196   1.376  -5.731
   61   HD11  ILE   6          HD11      ILE   6  -4.898  -0.237  -3.388
   62   HD12  ILE   6          HD12      ILE   6  -3.533  -1.332  -3.581
   63   HD13  ILE   6          HD13      ILE   6  -4.897  -1.419  -4.695
   64    H    ILE   7           HN       ILE   7  -1.914   2.833  -1.643
   65    HA   ILE   7           HA       ILE   7   0.633   3.877  -2.342
   66    HB   ILE   7           HB       ILE   7  -1.224   4.440  -0.035
   67   HG12  ILE   7          HG12      ILE   7  -1.134   6.745  -1.159
   68   HG13  ILE   7          HG11      ILE   7  -0.328   5.933  -2.496
   69   HG21  ILE   7          HG21      ILE   7   1.034   4.672   0.845
   70   HG22  ILE   7          HG22      ILE   7   0.267   6.250   0.670
   71   HG23  ILE   7          HG23      ILE   7   1.468   5.718  -0.507
   72   HD11  ILE   7          HD11      ILE   7  -2.682   6.195  -2.950
   73   HD12  ILE   7          HD12      ILE   7  -3.088   5.344  -1.461
   74   HD13  ILE   7          HD13      ILE   7  -2.283   4.486  -2.775
   75    H    ARG   8           HN       ARG   8  -0.549   1.730   0.166
   76    HA   ARG   8           HA       ARG   8   1.914   1.408   1.532
   77    HB2  ARG   8           HB2      ARG   8  -0.429  -0.493   1.310
   78    HB3  ARG   8           HB1      ARG   8   0.893  -0.641   2.460
   79    HG2  ARG   8           HG2      ARG   8  -1.039   1.662   2.323
   80    HG3  ARG   8           HG1      ARG   8  -1.127   0.316   3.459
   81    HD2  ARG   8           HD2      ARG   8   0.993   0.941   4.428
   82    HD3  ARG   8           HD1      ARG   8   1.201   2.214   3.227
   83    HE   ARG   8           HE       ARG   8  -1.196   2.717   4.518
   84   HH11  ARG   8          HH11      ARG   8   2.175   2.457   5.407
   85   HH12  ARG   8          HH12      ARG   8   2.076   3.654   6.658
   86   HH21  ARG   8          HH21      ARG   8  -1.350   4.270   6.175
   87   HH22  ARG   8          HH22      ARG   8   0.056   4.678   7.104
   88    H    LYS   9           HN       LYS   9   0.610   0.125  -1.398
   89    HA   LYS   9           HA       LYS   9   2.229  -2.129  -1.769
   90    HB2  LYS   9           HB2      LYS   9   0.264  -1.376  -3.175
   91    HB3  LYS   9           HB1      LYS   9   1.361  -0.228  -3.937
   92    HG2  LYS   9           HG2      LYS   9   1.104  -2.245  -5.258
   93    HG3  LYS   9           HG1      LYS   9   2.765  -2.066  -4.696
   94    HD2  LYS   9           HD2      LYS   9   2.394  -3.669  -2.947
   95    HD3  LYS   9           HD1      LYS   9   0.673  -3.760  -3.348
   96    HE2  LYS   9           HE2      LYS   9   1.262  -4.656  -5.567
   97    HE3  LYS   9           HE1      LYS   9   2.967  -4.607  -5.121
   98    HZ1  LYS   9           HZ1      LYS   9   0.881  -6.218  -3.753
   99    HZ2  LYS   9           HZ2      LYS   9   2.526  -6.196  -3.367
  100    HZ3  LYS   9           HZ3      LYS   9   2.017  -6.816  -4.852
  101    H    PHE  10           HN       PHE  10   2.680   1.241  -2.687
  102    HA   PHE  10           HA       PHE  10   5.271   1.064  -3.736
  103    HB2  PHE  10           HB2      PHE  10   3.822   3.302  -2.331
  104    HB3  PHE  10           HB1      PHE  10   5.408   3.500  -3.069
  105    HD1  PHE  10           HD1      PHE  10   5.677   3.484  -5.450
  106    HD2  PHE  10           HD2      PHE  10   1.837   2.993  -3.701
  107    HE1  PHE  10           HE1      PHE  10   4.633   3.940  -7.632
  108    HE2  PHE  10           HE2      PHE  10   0.783   3.447  -5.874
  109    HZ   PHE  10           HZ       PHE  10   2.179   3.921  -7.846
  110    H    ILE  11           HN       ILE  11   4.093   1.333  -0.452
  111    HA   ILE  11           HA       ILE  11   6.608   1.781   0.789
  112    HB   ILE  11           HB       ILE  11   3.908   0.984   1.786
  113   HG12  ILE  11          HG12      ILE  11   3.933   3.065   2.827
  114   HG13  ILE  11          HG11      ILE  11   5.691   3.117   2.910
  115   HG21  ILE  11          HG21      ILE  11   5.341  -0.460   3.056
  116   HG22  ILE  11          HG22      ILE  11   4.851   0.886   4.087
  117   HG23  ILE  11          HG23      ILE  11   6.462   0.864   3.365
  118   HD11  ILE  11          HD11      ILE  11   4.801   4.738   1.321
  119   HD12  ILE  11          HD12      ILE  11   4.052   3.416   0.414
  120   HD13  ILE  11          HD13      ILE  11   5.811   3.518   0.530
  121    H    LYS  12           HN       LYS  12   4.785  -1.048  -0.117
  122    HA   LYS  12           HA       LYS  12   6.349  -2.957   1.257
  123    HB2  LYS  12           HB2      LYS  12   4.782  -3.234  -1.311
  124    HB3  LYS  12           HB1      LYS  12   5.493  -4.582  -0.437
  125    HG2  LYS  12           HG2      LYS  12   4.104  -4.025   1.514
  126    HG3  LYS  12           HG1      LYS  12   3.366  -2.718   0.592
  127    HD2  LYS  12           HD2      LYS  12   1.820  -4.383   0.281
  128    HD3  LYS  12           HD1      LYS  12   2.853  -4.629  -1.125
  129    HE2  LYS  12           HE2      LYS  12   3.144  -6.125   1.473
  130    HE3  LYS  12           HE1      LYS  12   2.228  -6.721   0.093
  131    HZ1  LYS  12           HZ1      LYS  12   4.295  -6.595  -1.219
  132    HZ2  LYS  12           HZ2      LYS  12   4.402  -7.679   0.071
  133    HZ3  LYS  12           HZ3      LYS  12   5.143  -6.165   0.180
  134    H    GLY  13           HN       GLY  13   6.842  -1.220  -1.719
  135    HA2  GLY  13           HA2      GLY  13   9.194  -2.804  -2.394
  136    HA3  GLY  13           HA1      GLY  13   8.537  -1.460  -3.324
  137    H    PHE  14           HN       PHE  14   8.394   0.249  -0.870
  138    HA   PHE  14           HA       PHE  14  10.954   1.434  -1.133
  139    HB2  PHE  14           HB2      PHE  14   9.332   2.970  -0.754
  140    HB3  PHE  14           HB1      PHE  14   8.400   1.912   0.264
  141    HD1  PHE  14           HD1      PHE  14  11.640   3.748   0.325
  142    HD2  PHE  14           HD2      PHE  14   8.193   2.413   2.390
  143    HE1  PHE  14           HE1      PHE  14  12.394   4.974   2.332
  144    HE2  PHE  14           HE2      PHE  14   8.924   3.627   4.423
  145    HZ   PHE  14           HZ       PHE  14  11.032   4.911   4.388
  146    H    ILE  15           HN       ILE  15   9.294  -0.171   1.542
  147    HA   ILE  15           HA       ILE  15  11.643  -0.263   3.192
  148    HB   ILE  15           HB       ILE  15  10.390  -1.679   4.705
  149   HG12  ILE  15          HG12      ILE  15   8.294  -1.788   2.522
  150   HG13  ILE  15          HG11      ILE  15   9.289  -3.132   3.072
  151   HG21  ILE  15          HG21      ILE  15   8.489  -0.200   5.167
  152   HG22  ILE  15          HG22      ILE  15   8.693   0.540   3.579
  153   HG23  ILE  15          HG23      ILE  15   9.958   0.702   4.797
  154   HD11  ILE  15          HD11      ILE  15   8.226  -2.973   5.284
  155   HD12  ILE  15          HD12      ILE  15   7.075  -3.310   3.991
  156   HD13  ILE  15          HD13      ILE  15   7.189  -1.686   4.667
  157    H    SER  16           HN       SER  16  12.742  -2.203   3.879
  158    HA   SER  16           HA       SER  16  12.868  -4.228   1.755
  159    HB2  SER  16           HB2      SER  16  14.961  -3.437   3.797
  160    HB3  SER  16           HB1      SER  16  15.152  -4.705   2.586
  161    HG   SER  16           HG       SER  16  15.299  -1.968   2.323
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1 -11.990   2.741  -0.747
    2    H2   LYS   1           HT2      LYS   1 -10.849   3.865  -1.285
    3    H3   LYS   1           HT3      LYS   1 -12.121   4.364  -0.291
    4    HA   LYS   1           HA       LYS   1 -10.069   4.227   0.931
    5    HB2  LYS   1           HB2      LYS   1 -10.869   2.779   2.764
    6    HB3  LYS   1           HB1      LYS   1 -12.119   3.847   2.147
    7    HG2  LYS   1           HG2      LYS   1 -13.101   2.011   0.896
    8    HG3  LYS   1           HG1      LYS   1 -11.821   0.933   1.456
    9    HD2  LYS   1           HD2      LYS   1 -12.549   1.257   3.767
   10    HD3  LYS   1           HD1      LYS   1 -13.809   2.364   3.222
   11    HE2  LYS   1           HE2      LYS   1 -14.743   0.168   3.659
   12    HE3  LYS   1           HE1      LYS   1 -14.837   0.546   1.940
   13    HZ1  LYS   1           HZ1      LYS   1 -12.928  -0.843   1.538
   14    HZ2  LYS   1           HZ2      LYS   1 -14.100  -1.735   2.365
   15    HZ3  LYS   1           HZ3      LYS   1 -12.746  -1.150   3.190
   16    H    TRP   2           HN       TRP   2 -10.597   1.534  -1.155
   17    HA   TRP   2           HA       TRP   2  -8.669  -0.143   0.147
   18    HB2  TRP   2           HB2      TRP   2  -9.008  -1.707  -1.703
   19    HB3  TRP   2           HB1      TRP   2 -10.540  -1.193  -1.016
   20    HD1  TRP   2           HD1      TRP   2 -12.230   0.042  -2.602
   21    HE1  TRP   2           HE1      TRP   2 -12.275   0.504  -5.134
   22    HE3  TRP   2           HE3      TRP   2  -7.386  -1.154  -3.738
   23    HZ2  TRP   2           HZ2      TRP   2 -10.480   0.378  -7.320
   24    HZ3  TRP   2           HZ3      TRP   2  -6.649  -0.952  -6.077
   25    HH2  TRP   2           HH2      TRP   2  -8.182  -0.200  -7.816
   26    H    ALA   3           HN       ALA   3  -8.556   2.399  -2.096
   27    HA   ALA   3           HA       ALA   3  -6.274   1.567  -3.573
   28    HB1  ALA   3           HB1      ALA   3  -6.185   3.811  -4.419
   29    HB2  ALA   3           HB2      ALA   3  -7.253   4.380  -3.139
   30    HB3  ALA   3           HB3      ALA   3  -7.864   3.278  -4.374
   31    H    VAL   4           HN       VAL   4  -6.678   2.763  -0.412
   32    HA   VAL   4           HA       VAL   4  -4.219   4.008   0.031
   33    HB   VAL   4           HB       VAL   4  -5.853   2.360   1.971
   34   HG11  VAL   4          HG11      VAL   4  -4.839   3.821   3.653
   35   HG12  VAL   4          HG12      VAL   4  -3.836   4.536   2.394
   36   HG13  VAL   4          HG13      VAL   4  -3.649   2.833   2.807
   37   HG21  VAL   4          HG21      VAL   4  -6.836   4.520   2.630
   38   HG22  VAL   4          HG22      VAL   4  -7.248   4.058   0.978
   39   HG23  VAL   4          HG23      VAL   4  -6.013   5.284   1.273
   40    H    ARG   5           HN       ARG   5  -5.198   0.659  -0.165
   41    HA   ARG   5           HA       ARG   5  -2.909  -0.577   0.912
   42    HB2  ARG   5           HB2      ARG   5  -4.788  -1.498  -1.275
   43    HB3  ARG   5           HB1      ARG   5  -3.568  -2.517  -0.533
   44    HG2  ARG   5           HG2      ARG   5  -5.741  -1.195   1.060
   45    HG3  ARG   5           HG1      ARG   5  -5.946  -2.769   0.294
   46    HD2  ARG   5           HD2      ARG   5  -5.272  -3.369   2.412
   47    HD3  ARG   5           HD1      ARG   5  -3.742  -3.362   1.543
   48    HE   ARG   5           HE       ARG   5  -4.457  -0.903   2.915
   49   HH11  ARG   5          HH11      ARG   5  -2.604  -3.872   2.942
   50   HH12  ARG   5          HH12      ARG   5  -1.598  -3.380   4.266
   51   HH21  ARG   5          HH21      ARG   5  -3.141  -0.260   4.667
   52   HH22  ARG   5          HH22      ARG   5  -1.900  -1.332   5.244
   53    H    ILE   6           HN       ILE   6  -3.481   1.017  -2.125
   54    HA   ILE   6           HA       ILE   6  -1.301  -0.178  -3.553
   55    HB   ILE   6           HB       ILE   6  -2.723   2.411  -4.155
   56   HG12  ILE   6          HG12      ILE   6  -3.521  -0.402  -4.385
   57   HG13  ILE   6          HG11      ILE   6  -4.510   1.057  -4.400
   58   HG21  ILE   6          HG21      ILE   6  -1.942   1.999  -6.447
   59   HG22  ILE   6          HG22      ILE   6  -1.060   0.581  -5.880
   60   HG23  ILE   6          HG23      ILE   6  -0.601   2.187  -5.315
   61   HD11  ILE   6          HD11      ILE   6  -3.908   1.414  -6.732
   62   HD12  ILE   6          HD12      ILE   6  -4.706  -0.141  -6.482
   63   HD13  ILE   6          HD13      ILE   6  -2.954  -0.067  -6.695
   64    H    ILE   7           HN       ILE   7  -1.764   2.768  -1.641
   65    HA   ILE   7           HA       ILE   7   0.820   3.850  -2.082
   66    HB   ILE   7           HB       ILE   7  -1.116   4.182   0.218
   67   HG12  ILE   7          HG12      ILE   7  -1.129   6.565  -0.692
   68   HG13  ILE   7          HG11      ILE   7  -0.263   5.935  -2.087
   69   HG21  ILE   7          HG21      ILE   7   0.321   5.978   1.063
   70   HG22  ILE   7          HG22      ILE   7   1.535   5.568  -0.147
   71   HG23  ILE   7          HG23      ILE   7   1.128   4.411   1.120
   72   HD11  ILE   7          HD11      ILE   7  -2.140   4.437  -2.555
   73   HD12  ILE   7          HD12      ILE   7  -2.622   6.133  -2.552
   74   HD13  ILE   7          HD13      ILE   7  -3.004   5.106  -1.172
   75    H    ARG   8           HN       ARG   8  -0.525   1.609   0.276
   76    HA   ARG   8           HA       ARG   8   1.859   1.141   1.725
   77    HB2  ARG   8           HB2      ARG   8  -0.459  -0.743   1.252
   78    HB3  ARG   8           HB1      ARG   8   0.739  -0.869   2.535
   79    HG2  ARG   8           HG2      ARG   8  -1.250   1.363   2.196
   80    HG3  ARG   8           HG1      ARG   8  -1.355   0.043   3.359
   81    HD2  ARG   8           HD2      ARG   8   0.779   2.168   3.233
   82    HD3  ARG   8           HD1      ARG   8  -0.503   2.039   4.434
   83    HE   ARG   8           HE       ARG   8   0.864  -0.344   4.552
   84   HH11  ARG   8          HH11      ARG   8   1.652   3.034   4.963
   85   HH12  ARG   8          HH12      ARG   8   2.919   2.736   6.109
   86   HH21  ARG   8          HH21      ARG   8   2.543  -0.752   6.046
   87   HH22  ARG   8          HH22      ARG   8   3.417   0.578   6.735
   88    H    LYS   9           HN       LYS   9   0.649   0.008  -1.312
   89    HA   LYS   9           HA       LYS   9   2.312  -2.239  -1.681
   90    HB2  LYS   9           HB2      LYS   9   0.279  -1.468  -3.063
   91    HB3  LYS   9           HB1      LYS   9   1.422  -0.416  -3.896
   92    HG2  LYS   9           HG2      LYS   9   1.048  -2.510  -5.087
   93    HG3  LYS   9           HG1      LYS   9   2.728  -2.330  -4.578
   94    HD2  LYS   9           HD2      LYS   9   2.407  -3.826  -2.751
   95    HD3  LYS   9           HD1      LYS   9   0.659  -3.859  -3.026
   96    HE2  LYS   9           HE2      LYS   9   1.708  -5.892  -3.875
   97    HE3  LYS   9           HE1      LYS   9   1.010  -4.946  -5.186
   98    HZ1  LYS   9           HZ1      LYS   9   3.882  -5.052  -4.441
   99    HZ2  LYS   9           HZ2      LYS   9   3.234  -4.080  -5.662
  100    HZ3  LYS   9           HZ3      LYS   9   3.174  -5.761  -5.803
  101    H    PHE  10           HN       PHE  10   2.652   1.178  -2.399
  102    HA   PHE  10           HA       PHE  10   5.182   1.093  -3.623
  103    HB2  PHE  10           HB2      PHE  10   4.025   3.293  -1.898
  104    HB3  PHE  10           HB1      PHE  10   5.312   3.469  -3.085
  105    HD1  PHE  10           HD1      PHE  10   3.758   1.526  -5.076
  106    HD2  PHE  10           HD2      PHE  10   2.766   5.070  -2.945
  107    HE1  PHE  10           HE1      PHE  10   2.088   2.085  -6.794
  108    HE2  PHE  10           HE2      PHE  10   1.089   5.633  -4.655
  109    HZ   PHE  10           HZ       PHE  10   0.751   4.139  -6.584
  110    H    ILE  11           HN       ILE  11   4.128   1.373  -0.290
  111    HA   ILE  11           HA       ILE  11   6.663   1.713   0.899
  112    HB   ILE  11           HB       ILE  11   3.983   0.896   1.931
  113   HG12  ILE  11          HG12      ILE  11   4.072   2.953   3.072
  114   HG13  ILE  11          HG11      ILE  11   5.826   3.049   2.945
  115   HG21  ILE  11          HG21      ILE  11   6.565   0.766   3.458
  116   HG22  ILE  11          HG22      ILE  11   5.429  -0.553   3.170
  117   HG23  ILE  11          HG23      ILE  11   4.971   0.794   4.216
  118   HD11  ILE  11          HD11      ILE  11   3.824   3.405   0.740
  119   HD12  ILE  11          HD12      ILE  11   5.575   3.334   0.504
  120   HD13  ILE  11          HD13      ILE  11   4.860   4.645   1.460
  121    H    LYS  12           HN       LYS  12   4.790  -1.136   0.067
  122    HA   LYS  12           HA       LYS  12   6.444  -3.021   1.378
  123    HB2  LYS  12           HB2      LYS  12   4.644  -3.283  -1.032
  124    HB3  LYS  12           HB1      LYS  12   5.494  -4.649  -0.319
  125    HG2  LYS  12           HG2      LYS  12   4.330  -4.300   1.785
  126    HG3  LYS  12           HG1      LYS  12   3.506  -2.893   1.108
  127    HD2  LYS  12           HD2      LYS  12   2.421  -4.312  -0.550
  128    HD3  LYS  12           HD1      LYS  12   3.271  -5.723   0.084
  129    HE2  LYS  12           HE2      LYS  12   2.145  -5.454   2.224
  130    HE3  LYS  12           HE1      LYS  12   1.330  -4.008   1.630
  131    HZ1  LYS  12           HZ1      LYS  12  -0.121  -5.914   1.516
  132    HZ2  LYS  12           HZ2      LYS  12   0.993  -6.758   0.568
  133    HZ3  LYS  12           HZ3      LYS  12   0.237  -5.376  -0.046
  134    H    GLY  13           HN       GLY  13   6.740  -1.305  -1.619
  135    HA2  GLY  13           HA2      GLY  13   9.058  -2.872  -2.439
  136    HA3  GLY  13           HA1      GLY  13   8.315  -1.555  -3.340
  137    H    PHE  14           HN       PHE  14   8.320   0.175  -0.865
  138    HA   PHE  14           HA       PHE  14  10.812   1.408  -1.481
  139    HB2  PHE  14           HB2      PHE  14   9.131   2.905  -1.165
  140    HB3  PHE  14           HB1      PHE  14   8.358   1.962   0.077
  141    HD1  PHE  14           HD1      PHE  14   8.327   2.752   2.115
  142    HD2  PHE  14           HD2      PHE  14  11.515   3.888  -0.433
  143    HE1  PHE  14           HE1      PHE  14   9.193   4.259   3.883
  144    HE2  PHE  14           HE2      PHE  14  12.402   5.391   1.307
  145    HZ   PHE  14           HZ       PHE  14  11.237   5.578   3.473
  146    H    ILE  15           HN       ILE  15   9.404   0.079   1.493
  147    HA   ILE  15           HA       ILE  15  11.924   0.316   2.896
  148    HB   ILE  15           HB       ILE  15  10.835  -0.750   4.794
  149   HG12  ILE  15          HG12      ILE  15   8.432  -1.036   2.983
  150   HG13  ILE  15          HG11      ILE  15   9.450  -2.358   3.548
  151   HG21  ILE  15          HG21      ILE  15  10.555   1.638   4.504
  152   HG22  ILE  15          HG22      ILE  15   9.100   0.931   5.210
  153   HG23  ILE  15          HG23      ILE  15   9.129   1.367   3.501
  154   HD11  ILE  15          HD11      ILE  15   7.391  -2.214   4.817
  155   HD12  ILE  15          HD12      ILE  15   7.778  -0.558   5.281
  156   HD13  ILE  15          HD13      ILE  15   8.788  -1.890   5.841
  157    H    SER  16           HN       SER  16  10.730  -1.925   0.732
  158    HA   SER  16           HA       SER  16  12.703  -3.884   1.608
  159    HB2  SER  16           HB2      SER  16   9.834  -4.604   0.959
  160    HB3  SER  16           HB1      SER  16  11.122  -5.744   1.350
  161    HG   SER  16           HG       SER  16  11.139  -4.049   3.312
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1 -10.602   0.277  -4.939
    2    H2   LYS   1           HT2      LYS   1 -12.074  -0.531  -5.140
    3    H3   LYS   1           HT3      LYS   1 -10.631  -1.408  -5.076
    4    HA   LYS   1           HA       LYS   1 -11.737   0.200  -2.857
    5    HB2  LYS   1           HB2      LYS   1 -11.773  -2.769  -3.395
    6    HB3  LYS   1           HB1      LYS   1 -12.045  -2.087  -1.800
    7    HG2  LYS   1           HG2      LYS   1 -14.001  -0.906  -2.607
    8    HG3  LYS   1           HG1      LYS   1 -13.711  -1.508  -4.238
    9    HD2  LYS   1           HD2      LYS   1 -14.051  -3.788  -3.493
   10    HD3  LYS   1           HD1      LYS   1 -14.240  -3.239  -1.827
   11    HE2  LYS   1           HE2      LYS   1 -16.405  -3.693  -2.820
   12    HE3  LYS   1           HE1      LYS   1 -16.232  -1.974  -2.476
   13    HZ1  LYS   1           HZ1      LYS   1 -15.849  -3.228  -5.142
   14    HZ2  LYS   1           HZ2      LYS   1 -15.759  -1.576  -4.797
   15    HZ3  LYS   1           HZ3      LYS   1 -17.232  -2.391  -4.647
   16    H    TRP   2           HN       TRP   2 -10.498   0.283  -1.042
   17    HA   TRP   2           HA       TRP   2  -8.632   0.320   0.242
   18    HB2  TRP   2           HB2      TRP   2  -8.082  -2.391  -0.978
   19    HB3  TRP   2           HB1      TRP   2  -7.427  -1.770   0.534
   20    HD1  TRP   2           HD1      TRP   2  -9.541  -1.104   2.393
   21    HE1  TRP   2           HE1      TRP   2 -11.556  -2.591   2.992
   22    HE3  TRP   2           HE3      TRP   2  -9.545  -4.160  -1.711
   23    HZ2  TRP   2           HZ2      TRP   2 -12.959  -4.779   1.853
   24    HZ3  TRP   2           HZ3      TRP   2 -11.262  -5.918  -1.864
   25    HH2  TRP   2           HH2      TRP   2 -12.925  -6.204  -0.105
   26    H    ALA   3           HN       ALA   3  -8.388   1.677  -2.168
   27    HA   ALA   3           HA       ALA   3  -5.946   0.981  -3.471
   28    HB1  ALA   3           HB1      ALA   3  -7.310   3.653  -3.597
   29    HB2  ALA   3           HB2      ALA   3  -7.823   2.251  -4.537
   30    HB3  ALA   3           HB3      ALA   3  -6.212   2.926  -4.774
   31    H    VAL   4           HN       VAL   4  -6.673   2.591  -0.556
   32    HA   VAL   4           HA       VAL   4  -4.387   4.214  -0.344
   33    HB   VAL   4           HB       VAL   4  -5.837   2.797   1.900
   34   HG11  VAL   4          HG11      VAL   4  -3.761   3.761   2.595
   35   HG12  VAL   4          HG12      VAL   4  -5.093   4.750   3.200
   36   HG13  VAL   4          HG13      VAL   4  -4.165   5.281   1.799
   37   HG21  VAL   4          HG21      VAL   4  -6.449   5.441   0.596
   38   HG22  VAL   4          HG22      VAL   4  -7.164   4.865   2.099
   39   HG23  VAL   4          HG23      VAL   4  -7.470   4.002   0.590
   40    H    ARG   5           HN       ARG   5  -5.055   0.815   0.178
   41    HA   ARG   5           HA       ARG   5  -2.541   0.120   1.304
   42    HB2  ARG   5           HB2      ARG   5  -4.563  -1.529  -0.223
   43    HB3  ARG   5           HB1      ARG   5  -3.137  -2.202   0.557
   44    HG2  ARG   5           HG2      ARG   5  -5.327  -0.702   1.974
   45    HG3  ARG   5           HG1      ARG   5  -5.185  -2.458   1.894
   46    HD2  ARG   5           HD2      ARG   5  -2.996  -2.311   3.009
   47    HD3  ARG   5           HD1      ARG   5  -3.182  -0.561   3.118
   48    HE   ARG   5           HE       ARG   5  -5.415  -1.777   4.293
   49   HH11  ARG   5          HH11      ARG   5  -1.983  -1.410   4.868
   50   HH12  ARG   5          HH12      ARG   5  -2.138  -1.477   6.593
   51   HH21  ARG   5          HH21      ARG   5  -5.618  -1.871   6.570
   52   HH22  ARG   5          HH22      ARG   5  -4.193  -1.760   7.557
   53    H    ILE   6           HN       ILE   6  -3.535   0.952  -1.854
   54    HA   ILE   6           HA       ILE   6  -1.448  -0.358  -3.312
   55    HB   ILE   6           HB       ILE   6  -3.382   1.865  -3.946
   56   HG12  ILE   6          HG12      ILE   6  -4.350   0.378  -5.480
   57   HG13  ILE   6          HG11      ILE   6  -2.920  -0.647  -5.540
   58   HG21  ILE   6          HG21      ILE   6  -1.298   2.546  -4.982
   59   HG22  ILE   6          HG22      ILE   6  -2.458   2.029  -6.207
   60   HG23  ILE   6          HG23      ILE   6  -1.135   0.962  -5.737
   61   HD11  ILE   6          HD11      ILE   6  -3.424  -1.566  -3.395
   62   HD12  ILE   6          HD12      ILE   6  -4.879  -1.645  -4.389
   63   HD13  ILE   6          HD13      ILE   6  -4.724  -0.405  -3.147
   64    H    ILE   7           HN       ILE   7  -1.895   2.847  -1.863
   65    HA   ILE   7           HA       ILE   7   0.641   3.894  -2.572
   66    HB   ILE   7           HB       ILE   7  -1.253   4.522  -0.302
   67   HG12  ILE   7          HG12      ILE   7  -1.321   6.744  -1.497
   68   HG13  ILE   7          HG11      ILE   7  -0.355   6.019  -2.773
   69   HG21  ILE   7          HG21      ILE   7   1.408   5.843  -0.824
   70   HG22  ILE   7          HG22      ILE   7   0.978   4.872   0.585
   71   HG23  ILE   7          HG23      ILE   7   0.182   6.420   0.304
   72   HD11  ILE   7          HD11      ILE   7  -2.702   6.080  -3.366
   73   HD12  ILE   7          HD12      ILE   7  -3.105   5.143  -1.926
   74   HD13  ILE   7          HD13      ILE   7  -2.138   4.417  -3.210
   75    H    ARG   8           HN       ARG   8  -0.520   2.014   0.178
   76    HA   ARG   8           HA       ARG   8   1.964   1.814   1.516
   77    HB2  ARG   8           HB2      ARG   8  -0.411  -0.056   1.551
   78    HB3  ARG   8           HB1      ARG   8   0.934  -0.113   2.680
   79    HG2  ARG   8           HG2      ARG   8  -0.968   2.195   2.341
   80    HG3  ARG   8           HG1      ARG   8  -1.016   0.996   3.635
   81    HD2  ARG   8           HD2      ARG   8   1.143   1.712   4.438
   82    HD3  ARG   8           HD1      ARG   8   1.319   2.820   3.078
   83    HE   ARG   8           HE       ARG   8  -1.023   3.312   4.673
   84   HH11  ARG   8          HH11      ARG   8   2.410   3.937   4.371
   85   HH12  ARG   8          HH12      ARG   8   2.346   5.442   5.227
   86   HH21  ARG   8          HH21      ARG   8  -1.116   5.306   5.793
   87   HH22  ARG   8          HH22      ARG   8   0.337   6.218   6.040
   88    H    LYS   9           HN       LYS   9   0.649   0.250  -1.256
   89    HA   LYS   9           HA       LYS   9   2.316  -2.037  -1.327
   90    HB2  LYS   9           HB2      LYS   9   0.219  -1.582  -2.699
   91    HB3  LYS   9           HB1      LYS   9   1.241  -0.580  -3.726
   92    HG2  LYS   9           HG2      LYS   9   1.003  -2.764  -4.677
   93    HG3  LYS   9           HG1      LYS   9   2.669  -2.525  -4.166
   94    HD2  LYS   9           HD2      LYS   9   2.244  -3.799  -2.144
   95    HD3  LYS   9           HD1      LYS   9   0.549  -3.992  -2.608
   96    HE2  LYS   9           HE2      LYS   9   1.243  -5.231  -4.601
   97    HE3  LYS   9           HE1      LYS   9   2.931  -5.030  -4.139
   98    HZ1  LYS   9           HZ1      LYS   9   0.867  -6.518  -2.613
   99    HZ2  LYS   9           HZ2      LYS   9   2.463  -6.285  -2.113
  100    HZ3  LYS   9           HZ3      LYS   9   2.142  -7.194  -3.497
  101    H    PHE  10           HN       PHE  10   2.592   1.240  -2.537
  102    HA   PHE  10           HA       PHE  10   5.065   0.950  -3.877
  103    HB2  PHE  10           HB2      PHE  10   3.883   3.406  -2.555
  104    HB3  PHE  10           HB1      PHE  10   5.171   3.402  -3.757
  105    HD1  PHE  10           HD1      PHE  10   3.606   1.032  -5.269
  106    HD2  PHE  10           HD2      PHE  10   2.661   4.969  -3.984
  107    HE1  PHE  10           HE1      PHE  10   1.933   1.212  -7.072
  108    HE2  PHE  10           HE2      PHE  10   0.983   5.160  -5.775
  109    HZ   PHE  10           HZ       PHE  10   0.617   3.279  -7.320
  110    H    ILE  11           HN       ILE  11   4.119   1.561  -0.617
  111    HA   ILE  11           HA       ILE  11   6.741   2.087   0.414
  112    HB   ILE  11           HB       ILE  11   4.073   1.561   1.687
  113   HG12  ILE  11          HG12      ILE  11   4.246   3.793   2.446
  114   HG13  ILE  11          HG11      ILE  11   5.983   3.842   2.169
  115   HG21  ILE  11          HG21      ILE  11   5.147   1.840   3.894
  116   HG22  ILE  11          HG22      ILE  11   6.722   1.730   3.102
  117   HG23  ILE  11          HG23      ILE  11   5.621   0.351   3.080
  118   HD11  ILE  11          HD11      ILE  11   5.537   3.709  -0.261
  119   HD12  ILE  11          HD12      ILE  11   4.911   5.175   0.514
  120   HD13  ILE  11          HD13      ILE  11   3.813   3.855   0.097
  121    H    LYS  12           HN       LYS  12   4.742  -0.718  -0.068
  122    HA   LYS  12           HA       LYS  12   6.510  -2.548   1.226
  123    HB2  LYS  12           HB2      LYS  12   4.414  -2.962  -0.909
  124    HB3  LYS  12           HB1      LYS  12   5.319  -4.275  -0.168
  125    HG2  LYS  12           HG2      LYS  12   4.427  -3.650   2.023
  126    HG3  LYS  12           HG1      LYS  12   3.512  -2.345   1.271
  127    HD2  LYS  12           HD2      LYS  12   2.254  -3.963  -0.041
  128    HD3  LYS  12           HD1      LYS  12   3.199  -5.280   0.656
  129    HE2  LYS  12           HE2      LYS  12   2.356  -4.696   2.882
  130    HE3  LYS  12           HE1      LYS  12   1.405  -3.390   2.176
  131    HZ1  LYS  12           HZ1      LYS  12   0.170  -5.030   0.905
  132    HZ2  LYS  12           HZ2      LYS  12   0.060  -5.350   2.559
  133    HZ3  LYS  12           HZ3      LYS  12   1.080  -6.282   1.586
  134    H    GLY  13           HN       GLY  13   6.712  -0.695  -1.550
  135    HA2  GLY  13           HA2      GLY  13   8.713  -2.349  -2.852
  136    HA3  GLY  13           HA1      GLY  13   8.182  -0.748  -3.358
  137    H    PHE  14           HN       PHE  14   8.562   0.580  -0.811
  138    HA   PHE  14           HA       PHE  14  11.327   1.089  -0.829
  139    HB2  PHE  14           HB2      PHE  14   9.177   1.684   1.200
  140    HB3  PHE  14           HB1      PHE  14  10.784   2.343   1.228
  141    HD1  PHE  14           HD1      PHE  14   7.843   3.507   0.935
  142    HD2  PHE  14           HD2      PHE  14  11.180   2.990  -1.643
  143    HE1  PHE  14           HE1      PHE  14   7.060   5.393  -0.449
  144    HE2  PHE  14           HE2      PHE  14  10.409   4.872  -3.032
  145    HZ   PHE  14           HZ       PHE  14   8.346   6.076  -2.435
  146    H    ILE  15           HN       ILE  15   9.283  -0.229   1.735
  147    HA   ILE  15           HA       ILE  15   9.802  -1.357   3.647
  148    HB   ILE  15           HB       ILE  15  10.695  -3.676   3.222
  149   HG12  ILE  15          HG12      ILE  15  10.550  -2.790   0.329
  150   HG13  ILE  15          HG11      ILE  15  12.025  -3.188   1.202
  151   HG21  ILE  15          HG21      ILE  15   8.648  -4.395   2.098
  152   HG22  ILE  15          HG22      ILE  15   8.345  -2.732   1.600
  153   HG23  ILE  15          HG23      ILE  15   8.329  -3.156   3.312
  154   HD11  ILE  15          HD11      ILE  15  11.252  -5.487   1.460
  155   HD12  ILE  15          HD12      ILE  15  11.325  -5.015  -0.237
  156   HD13  ILE  15          HD13      ILE  15   9.770  -5.087   0.592
  157    H    SER  16           HN       SER  16  11.510   0.526   3.802
  158    HA   SER  16           HA       SER  16  14.159  -0.682   4.179
  159    HB2  SER  16           HB2      SER  16  14.000   1.347   2.718
  160    HB3  SER  16           HB1      SER  16  13.435   2.259   4.116
  161    HG   SER  16           HG       SER  16  15.976   1.356   3.484
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1 -11.038   3.600  -0.069
    2    H2   LYS   1           HT2      LYS   1 -11.378   4.531   1.300
    3    H3   LYS   1           HT3      LYS   1 -11.365   2.845   1.407
    4    HA   LYS   1           HA       LYS   1  -9.018   4.506   0.745
    5    HB2  LYS   1           HB2      LYS   1  -9.767   3.152   3.344
    6    HB3  LYS   1           HB1      LYS   1  -8.219   3.913   3.015
    7    HG2  LYS   1           HG2      LYS   1 -10.889   5.305   3.091
    8    HG3  LYS   1           HG1      LYS   1  -9.650   5.356   4.346
    9    HD2  LYS   1           HD2      LYS   1  -8.096   6.387   2.739
   10    HD3  LYS   1           HD1      LYS   1  -9.374   6.384   1.524
   11    HE2  LYS   1           HE2      LYS   1  -9.227   8.571   2.528
   12    HE3  LYS   1           HE1      LYS   1 -10.741   7.805   3.001
   13    HZ1  LYS   1           HZ1      LYS   1  -9.596   8.936   4.845
   14    HZ2  LYS   1           HZ2      LYS   1  -8.297   7.865   4.684
   15    HZ3  LYS   1           HZ3      LYS   1  -9.818   7.286   5.135
   16    H    TRP   2           HN       TRP   2 -10.276   1.923  -0.369
   17    HA   TRP   2           HA       TRP   2  -8.511  -0.158   0.395
   18    HB2  TRP   2           HB2      TRP   2 -10.310   0.173  -2.006
   19    HB3  TRP   2           HB1      TRP   2  -9.347  -1.273  -1.717
   20    HD1  TRP   2           HD1      TRP   2  -9.847  -1.718   1.342
   21    HE1  TRP   2           HE1      TRP   2 -12.174  -2.406   2.195
   22    HE3  TRP   2           HE3      TRP   2 -12.672  -0.120  -2.610
   23    HZ2  TRP   2           HZ2      TRP   2 -14.855  -2.290   1.297
   24    HZ3  TRP   2           HZ3      TRP   2 -15.112  -0.459  -2.521
   25    HH2  TRP   2           HH2      TRP   2 -16.159  -1.527  -0.595
   26    H    ALA   3           HN       ALA   3  -8.414   2.352  -2.045
   27    HA   ALA   3           HA       ALA   3  -6.171   1.253  -3.420
   28    HB1  ALA   3           HB1      ALA   3  -6.968   4.145  -3.451
   29    HB2  ALA   3           HB2      ALA   3  -7.801   2.907  -4.389
   30    HB3  ALA   3           HB3      ALA   3  -6.091   3.232  -4.684
   31    H    VAL   4           HN       VAL   4  -6.475   2.724  -0.403
   32    HA   VAL   4           HA       VAL   4  -3.966   4.002  -0.235
   33    HB   VAL   4           HB       VAL   4  -5.718   2.762   1.899
   34   HG11  VAL   4          HG11      VAL   4  -4.413   4.065   3.493
   35   HG12  VAL   4          HG12      VAL   4  -3.314   4.531   2.198
   36   HG13  VAL   4          HG13      VAL   4  -3.440   2.841   2.681
   37   HG21  VAL   4          HG21      VAL   4  -6.257   5.102   2.425
   38   HG22  VAL   4          HG22      VAL   4  -6.759   4.642   0.796
   39   HG23  VAL   4          HG23      VAL   4  -5.305   5.614   1.033
   40    H    ARG   5           HN       ARG   5  -5.065   0.713  -0.111
   41    HA   ARG   5           HA       ARG   5  -2.698  -0.442   0.965
   42    HB2  ARG   5           HB2      ARG   5  -4.979  -1.526  -0.668
   43    HB3  ARG   5           HB1      ARG   5  -3.582  -2.522  -0.298
   44    HG2  ARG   5           HG2      ARG   5  -5.349  -2.976   1.273
   45    HG3  ARG   5           HG1      ARG   5  -4.004  -2.195   2.105
   46    HD2  ARG   5           HD2      ARG   5  -5.194  -0.068   2.053
   47    HD3  ARG   5           HD1      ARG   5  -6.523  -0.817   1.168
   48    HE   ARG   5           HE       ARG   5  -6.421  -2.332   3.370
   49   HH11  ARG   5          HH11      ARG   5  -6.440   1.146   2.971
   50   HH12  ARG   5          HH12      ARG   5  -7.232   1.442   4.483
   51   HH21  ARG   5          HH21      ARG   5  -7.465  -1.940   5.361
   52   HH22  ARG   5          HH22      ARG   5  -7.825  -0.310   5.836
   53    H    ILE   6           HN       ILE   6  -3.520   0.908  -2.057
   54    HA   ILE   6           HA       ILE   6  -1.444  -0.337  -3.617
   55    HB   ILE   6           HB       ILE   6  -3.243   2.060  -4.035
   56   HG12  ILE   6          HG12      ILE   6  -4.255   0.837  -5.777
   57   HG13  ILE   6          HG11      ILE   6  -2.935  -0.326  -5.855
   58   HG21  ILE   6          HG21      ILE   6  -1.102   2.693  -4.958
   59   HG22  ILE   6          HG22      ILE   6  -2.261   2.385  -6.253
   60   HG23  ILE   6          HG23      ILE   6  -1.024   1.186  -5.871
   61   HD11  ILE   6          HD11      ILE   6  -4.884  -0.080  -3.578
   62   HD12  ILE   6          HD12      ILE   6  -3.646  -1.318  -3.782
   63   HD13  ILE   6          HD13      ILE   6  -5.007  -1.238  -4.900
   64    H    ILE   7           HN       ILE   7  -1.867   2.693  -1.812
   65    HA   ILE   7           HA       ILE   7   0.722   3.729  -2.304
   66    HB   ILE   7           HB       ILE   7  -1.282   4.202  -0.102
   67   HG12  ILE   7          HG12      ILE   7  -1.201   6.527  -1.061
   68   HG13  ILE   7          HG11      ILE   7  -0.154   5.908  -2.331
   69   HG21  ILE   7          HG21      ILE   7   0.892   4.364   0.965
   70   HG22  ILE   7          HG22      ILE   7   0.163   5.962   0.801
   71   HG23  ILE   7          HG23      ILE   7   1.449   5.463  -0.299
   72   HD11  ILE   7          HD11      ILE   7  -2.432   6.099  -3.106
   73   HD12  ILE   7          HD12      ILE   7  -2.989   5.063  -1.791
   74   HD13  ILE   7          HD13      ILE   7  -1.944   4.404  -3.050
   75    H    ARG   8           HN       ARG   8  -0.607   1.597   0.170
   76    HA   ARG   8           HA       ARG   8   1.772   1.204   1.634
   77    HB2  ARG   8           HB2      ARG   8  -0.540  -0.699   1.201
   78    HB3  ARG   8           HB1      ARG   8   0.702  -0.878   2.428
   79    HG2  ARG   8           HG2      ARG   8  -1.274   1.382   2.241
   80    HG3  ARG   8           HG1      ARG   8  -1.353   0.018   3.357
   81    HD2  ARG   8           HD2      ARG   8   0.829   0.731   4.300
   82    HD3  ARG   8           HD1      ARG   8   0.775   2.149   3.254
   83    HE   ARG   8           HE       ARG   8  -1.568   2.308   4.574
   84   HH11  ARG   8          HH11      ARG   8   1.719   1.831   5.676
   85   HH12  ARG   8          HH12      ARG   8   1.461   2.622   7.195
   86   HH21  ARG   8          HH21      ARG   8  -1.913   3.350   6.579
   87   HH22  ARG   8          HH22      ARG   8  -0.602   3.487   7.703
   88    H    LYS   9           HN       LYS   9   0.684   0.021  -1.424
   89    HA   LYS   9           HA       LYS   9   2.398  -2.229  -1.665
   90    HB2  LYS   9           HB2      LYS   9   0.364  -1.583  -3.100
   91    HB3  LYS   9           HB1      LYS   9   1.478  -0.528  -3.961
   92    HG2  LYS   9           HG2      LYS   9   1.253  -2.617  -5.114
   93    HG3  LYS   9           HG1      LYS   9   2.888  -2.470  -4.472
   94    HD2  LYS   9           HD2      LYS   9   2.352  -3.912  -2.634
   95    HD3  LYS   9           HD1      LYS   9   0.647  -3.943  -3.112
   96    HE2  LYS   9           HE2      LYS   9   1.339  -4.993  -5.264
   97    HE3  LYS   9           HE1      LYS   9   2.985  -5.084  -4.644
   98    HZ1  LYS   9           HZ1      LYS   9   0.616  -6.386  -3.418
   99    HZ2  LYS   9           HZ2      LYS   9   2.210  -6.508  -2.864
  100    HZ3  LYS   9           HZ3      LYS   9   1.782  -7.165  -4.362
  101    H    PHE  10           HN       PHE  10   2.629   1.161  -2.530
  102    HA   PHE  10           HA       PHE  10   5.176   1.145  -3.712
  103    HB2  PHE  10           HB2      PHE  10   3.946   3.351  -2.045
  104    HB3  PHE  10           HB1      PHE  10   5.209   3.534  -3.256
  105    HD1  PHE  10           HD1      PHE  10   2.601   5.049  -3.113
  106    HD2  PHE  10           HD2      PHE  10   3.705   1.497  -5.178
  107    HE1  PHE  10           HE1      PHE  10   0.874   5.500  -4.805
  108    HE2  PHE  10           HE2      PHE  10   1.986   1.947  -6.879
  109    HZ   PHE  10           HZ       PHE  10   0.567   3.948  -6.691
  110    H    ILE  11           HN       ILE  11   4.070   1.401  -0.411
  111    HA   ILE  11           HA       ILE  11   6.576   1.829   0.829
  112    HB   ILE  11           HB       ILE  11   3.897   0.935   1.811
  113   HG12  ILE  11          HG12      ILE  11   3.907   2.991   2.956
  114   HG13  ILE  11          HG11      ILE  11   5.663   3.124   2.883
  115   HG21  ILE  11          HG21      ILE  11   5.407  -0.484   3.042
  116   HG22  ILE  11          HG22      ILE  11   4.827   0.802   4.102
  117   HG23  ILE  11          HG23      ILE  11   6.446   0.893   3.406
  118   HD11  ILE  11          HD11      ILE  11   3.721   3.462   0.624
  119   HD12  ILE  11          HD12      ILE  11   5.478   3.422   0.437
  120   HD13  ILE  11          HD13      ILE  11   4.715   4.715   1.382
  121    H    LYS  12           HN       LYS  12   4.787  -1.054  -0.064
  122    HA   LYS  12           HA       LYS  12   6.531  -2.888   1.223
  123    HB2  LYS  12           HB2      LYS  12   4.669  -3.212  -1.129
  124    HB3  LYS  12           HB1      LYS  12   5.581  -4.548  -0.437
  125    HG2  LYS  12           HG2      LYS  12   4.491  -4.153   1.724
  126    HG3  LYS  12           HG1      LYS  12   3.555  -2.846   0.998
  127    HD2  LYS  12           HD2      LYS  12   2.488  -4.406  -0.511
  128    HD3  LYS  12           HD1      LYS  12   3.491  -5.725   0.099
  129    HE2  LYS  12           HE2      LYS  12   2.490  -5.498   2.299
  130    HE3  LYS  12           HE1      LYS  12   1.536  -4.123   1.746
  131    HZ1  LYS  12           HZ1      LYS  12   1.321  -6.905   0.733
  132    HZ2  LYS  12           HZ2      LYS  12   0.407  -5.589   0.190
  133    HZ3  LYS  12           HZ3      LYS  12   0.228  -6.143   1.775
  134    H    GLY  13           HN       GLY  13   6.732  -1.108  -1.733
  135    HA2  GLY  13           HA2      GLY  13   9.044  -2.580  -2.677
  136    HA3  GLY  13           HA1      GLY  13   8.359  -1.126  -3.399
  137    H    PHE  14           HN       PHE  14   8.345   0.363  -0.862
  138    HA   PHE  14           HA       PHE  14  10.974   1.445  -1.105
  139    HB2  PHE  14           HB2      PHE  14   9.453   3.078  -0.769
  140    HB3  PHE  14           HB1      PHE  14   8.399   2.071   0.182
  141    HD1  PHE  14           HD1      PHE  14  11.786   3.613   0.496
  142    HD2  PHE  14           HD2      PHE  14   8.049   2.676   2.261
  143    HE1  PHE  14           HE1      PHE  14  12.478   4.797   2.549
  144    HE2  PHE  14           HE2      PHE  14   8.717   3.856   4.333
  145    HZ   PHE  14           HZ       PHE  14  10.940   4.917   4.472
  146    H    ILE  15           HN       ILE  15   9.184   0.087   1.665
  147    HA   ILE  15           HA       ILE  15  11.591  -0.164   3.227
  148    HB   ILE  15           HB       ILE  15  10.289  -1.307   4.904
  149   HG12  ILE  15          HG12      ILE  15   8.000  -1.316   2.923
  150   HG13  ILE  15          HG11      ILE  15   8.961  -2.725   3.362
  151   HG21  ILE  15          HG21      ILE  15   8.743   0.986   3.711
  152   HG22  ILE  15          HG22      ILE  15  10.090   1.103   4.843
  153   HG23  ILE  15          HG23      ILE  15   8.567   0.378   5.357
  154   HD11  ILE  15          HD11      ILE  15   8.186  -2.523   5.670
  155   HD12  ILE  15          HD12      ILE  15   6.850  -2.716   4.536
  156   HD13  ILE  15          HD13      ILE  15   7.210  -1.128   5.211
  157    H    SER  16           HN       SER  16  12.566  -2.121   3.920
  158    HA   SER  16           HA       SER  16  11.912  -4.551   2.476
  159    HB2  SER  16           HB2      SER  16  14.663  -3.289   2.320
  160    HB3  SER  16           HB1      SER  16  14.207  -4.859   1.656
  161    HG   SER  16           HG       SER  16  12.468  -3.095   0.741
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1 -11.202   2.199   1.637
    2    H2   LYS   1           HT2      LYS   1 -12.018   0.840   1.056
    3    H3   LYS   1           HT3      LYS   1 -12.667   2.382   0.817
    4    HA   LYS   1           HA       LYS   1 -11.670   1.529  -1.199
    5    HB2  LYS   1           HB2      LYS   1 -11.663   3.988  -0.596
    6    HB3  LYS   1           HB1      LYS   1 -10.007   3.774  -0.050
    7    HG2  LYS   1           HG2      LYS   1 -10.014   4.697  -2.269
    8    HG3  LYS   1           HG1      LYS   1  -9.383   3.050  -2.326
    9    HD2  LYS   1           HD2      LYS   1 -11.566   2.237  -3.076
   10    HD3  LYS   1           HD1      LYS   1 -12.204   3.881  -3.006
   11    HE2  LYS   1           HE2      LYS   1  -9.924   2.977  -4.758
   12    HE3  LYS   1           HE1      LYS   1 -11.591   3.171  -5.292
   13    HZ1  LYS   1           HZ1      LYS   1 -11.442   5.527  -4.680
   14    HZ2  LYS   1           HZ2      LYS   1 -10.315   5.104  -5.868
   15    HZ3  LYS   1           HZ3      LYS   1  -9.813   5.317  -4.268
   16    H    TRP   2           HN       TRP   2 -10.518  -0.287  -1.497
   17    HA   TRP   2           HA       TRP   2  -8.301  -0.989   0.111
   18    HB2  TRP   2           HB2      TRP   2  -9.403  -2.154  -2.435
   19    HB3  TRP   2           HB1      TRP   2  -8.000  -2.831  -1.611
   20    HD1  TRP   2           HD1      TRP   2 -11.697  -3.033  -1.656
   21    HE1  TRP   2           HE1      TRP   2 -12.550  -4.400   0.352
   22    HE3  TRP   2           HE3      TRP   2  -7.389  -3.208   1.092
   23    HZ2  TRP   2           HZ2      TRP   2 -11.513  -5.413   2.788
   24    HZ3  TRP   2           HZ3      TRP   2  -7.421  -4.396   3.249
   25    HH2  TRP   2           HH2      TRP   2  -9.452  -5.469   4.060
   26    H    ALA   3           HN       ALA   3  -8.566   0.911  -2.737
   27    HA   ALA   3           HA       ALA   3  -5.958   0.509  -3.749
   28    HB1  ALA   3           HB1      ALA   3  -7.845   1.548  -5.006
   29    HB2  ALA   3           HB2      ALA   3  -6.305   2.396  -5.122
   30    HB3  ALA   3           HB3      ALA   3  -7.576   3.017  -4.067
   31    H    VAL   4           HN       VAL   4  -6.998   2.083  -0.916
   32    HA   VAL   4           HA       VAL   4  -4.915   3.978  -0.672
   33    HB   VAL   4           HB       VAL   4  -6.567   2.558   1.428
   34   HG11  VAL   4          HG11      VAL   4  -4.700   4.893   1.662
   35   HG12  VAL   4          HG12      VAL   4  -4.551   3.322   2.449
   36   HG13  VAL   4          HG13      VAL   4  -5.862   4.415   2.897
   37   HG21  VAL   4          HG21      VAL   4  -7.898   3.946  -0.044
   38   HG22  VAL   4          HG22      VAL   4  -6.795   5.299   0.208
   39   HG23  VAL   4          HG23      VAL   4  -7.765   4.695   1.549
   40    H    ARG   5           HN       ARG   5  -5.234   0.561  -0.104
   41    HA   ARG   5           HA       ARG   5  -2.821   0.226   1.393
   42    HB2  ARG   5           HB2      ARG   5  -4.189  -1.893  -0.274
   43    HB3  ARG   5           HB1      ARG   5  -3.185  -2.123   1.151
   44    HG2  ARG   5           HG2      ARG   5  -5.936  -0.897   1.074
   45    HG3  ARG   5           HG1      ARG   5  -5.504  -2.487   1.704
   46    HD2  ARG   5           HD2      ARG   5  -4.432  -1.597   3.564
   47    HD3  ARG   5           HD1      ARG   5  -4.218  -0.019   2.808
   48    HE   ARG   5           HE       ARG   5  -6.972  -0.745   3.230
   49   HH11  ARG   5          HH11      ARG   5  -4.136   0.683   4.718
   50   HH12  ARG   5          HH12      ARG   5  -5.052   1.691   5.788
   51   HH21  ARG   5          HH21      ARG   5  -8.176   0.574   4.636
   52   HH22  ARG   5          HH22      ARG   5  -7.360   1.622   5.751
   53    H    ILE   6           HN       ILE   6  -3.608   0.720  -1.868
   54    HA   ILE   6           HA       ILE   6  -1.321  -0.389  -3.131
   55    HB   ILE   6           HB       ILE   6  -3.388   1.654  -3.888
   56   HG12  ILE   6          HG12      ILE   6  -4.047   0.118  -5.550
   57   HG13  ILE   6          HG11      ILE   6  -2.524  -0.765  -5.463
   58   HG21  ILE   6          HG21      ILE   6  -2.320   1.962  -6.082
   59   HG22  ILE   6          HG22      ILE   6  -0.908   1.084  -5.494
   60   HG23  ILE   6          HG23      ILE   6  -1.360   2.621  -4.757
   61   HD11  ILE   6          HD11      ILE   6  -4.453  -1.975  -4.509
   62   HD12  ILE   6          HD12      ILE   6  -4.593  -0.719  -3.280
   63   HD13  ILE   6          HD13      ILE   6  -3.146  -1.721  -3.354
   64    H    ILE   7           HN       ILE   7  -2.039   2.762  -1.667
   65    HA   ILE   7           HA       ILE   7   0.438   3.990  -2.289
   66    HB   ILE   7           HB       ILE   7  -1.584   4.476  -0.099
   67   HG12  ILE   7          HG12      ILE   7  -1.731   6.704  -1.290
   68   HG13  ILE   7          HG11      ILE   7  -0.686   6.030  -2.532
   69   HG21  ILE   7          HG21      ILE   7   1.003   5.976  -0.489
   70   HG22  ILE   7          HG22      ILE   7   0.574   4.968   0.893
   71   HG23  ILE   7          HG23      ILE   7  -0.311   6.460   0.581
   72   HD11  ILE   7          HD11      ILE   7  -2.364   4.327  -3.015
   73   HD12  ILE   7          HD12      ILE   7  -3.014   5.956  -3.199
   74   HD13  ILE   7          HD13      ILE   7  -3.408   5.005  -1.767
   75    H    ARG   8           HN       ARG   8  -0.676   2.015   0.411
   76    HA   ARG   8           HA       ARG   8   1.780   1.963   1.831
   77    HB2  ARG   8           HB2      ARG   8  -0.477  -0.050   1.768
   78    HB3  ARG   8           HB1      ARG   8   0.823  -0.019   2.952
   79    HG2  ARG   8           HG2      ARG   8  -1.166   2.203   2.535
   80    HG3  ARG   8           HG1      ARG   8  -1.283   0.960   3.779
   81    HD2  ARG   8           HD2      ARG   8   0.963   2.946   3.471
   82    HD3  ARG   8           HD1      ARG   8  -0.329   3.031   4.666
   83    HE   ARG   8           HE       ARG   8   0.718   0.630   5.194
   84   HH11  ARG   8          HH11      ARG   8   2.244   3.745   4.702
   85   HH12  ARG   8          HH12      ARG   8   3.602   3.379   5.719
   86   HH21  ARG   8          HH21      ARG   8   2.490   0.152   6.540
   87   HH22  ARG   8          HH22      ARG   8   3.747   1.332   6.756
   88    H    LYS   9           HN       LYS   9   0.624   0.350  -0.992
   89    HA   LYS   9           HA       LYS   9   2.417  -1.849  -1.017
   90    HB2  LYS   9           HB2      LYS   9   0.302  -1.521  -2.417
   91    HB3  LYS   9           HB1      LYS   9   1.293  -0.501  -3.457
   92    HG2  LYS   9           HG2      LYS   9   1.142  -2.739  -4.335
   93    HG3  LYS   9           HG1      LYS   9   2.799  -2.382  -3.856
   94    HD2  LYS   9           HD2      LYS   9   2.481  -3.610  -1.787
   95    HD3  LYS   9           HD1      LYS   9   0.791  -3.904  -2.206
   96    HE2  LYS   9           HE2      LYS   9   1.453  -5.229  -4.109
   97    HE3  LYS   9           HE1      LYS   9   3.149  -4.851  -3.827
   98    HZ1  LYS   9           HZ1      LYS   9   1.395  -6.392  -1.998
   99    HZ2  LYS   9           HZ2      LYS   9   3.022  -6.028  -1.724
  100    HZ3  LYS   9           HZ3      LYS   9   2.588  -7.042  -3.002
  101    H    PHE  10           HN       PHE  10   2.531   1.443  -2.179
  102    HA   PHE  10           HA       PHE  10   5.007   1.321  -3.536
  103    HB2  PHE  10           HB2      PHE  10   3.686   3.642  -2.114
  104    HB3  PHE  10           HB1      PHE  10   5.007   3.775  -3.269
  105    HD1  PHE  10           HD1      PHE  10   3.540   1.368  -4.893
  106    HD2  PHE  10           HD2      PHE  10   2.510   5.270  -3.562
  107    HE1  PHE  10           HE1      PHE  10   1.919   1.559  -6.732
  108    HE2  PHE  10           HE2      PHE  10   0.874   5.466  -5.392
  109    HZ   PHE  10           HZ       PHE  10   0.581   3.608  -6.980
  110    H    ILE  11           HN       ILE  11   4.041   1.815  -0.258
  111    HA   ILE  11           HA       ILE  11   6.628   2.455   0.789
  112    HB   ILE  11           HB       ILE  11   3.977   1.770   2.007
  113   HG12  ILE  11          HG12      ILE  11   4.057   3.984   2.848
  114   HG13  ILE  11          HG11      ILE  11   5.790   4.113   2.563
  115   HG21  ILE  11          HG21      ILE  11   6.584   1.991   3.481
  116   HG22  ILE  11          HG22      ILE  11   5.533   0.575   3.389
  117   HG23  ILE  11          HG23      ILE  11   4.990   2.021   4.241
  118   HD11  ILE  11          HD11      ILE  11   5.333   4.007   0.130
  119   HD12  ILE  11          HD12      ILE  11   4.653   5.433   0.939
  120   HD13  ILE  11          HD13      ILE  11   3.607   4.078   0.504
  121    H    LYS  12           HN       LYS  12   4.694  -0.435   0.445
  122    HA   LYS  12           HA       LYS  12   6.640  -2.178   1.625
  123    HB2  LYS  12           HB2      LYS  12   4.356  -2.736  -0.277
  124    HB3  LYS  12           HB1      LYS  12   5.355  -3.986   0.453
  125    HG2  LYS  12           HG2      LYS  12   4.636  -3.267   2.675
  126    HG3  LYS  12           HG1      LYS  12   3.625  -2.021   1.939
  127    HD2  LYS  12           HD2      LYS  12   2.349  -3.767   0.774
  128    HD3  LYS  12           HD1      LYS  12   3.346  -5.000   1.548
  129    HE2  LYS  12           HE2      LYS  12   2.578  -4.243   3.745
  130    HE3  LYS  12           HE1      LYS  12   1.581  -3.012   2.973
  131    HZ1  LYS  12           HZ1      LYS  12   0.356  -4.799   1.860
  132    HZ2  LYS  12           HZ2      LYS  12   0.249  -4.916   3.542
  133    HZ3  LYS  12           HZ3      LYS  12   1.274  -5.950   2.688
  134    H    GLY  13           HN       GLY  13   6.366  -0.490  -1.270
  135    HA2  GLY  13           HA2      GLY  13   8.221  -2.101  -2.775
  136    HA3  GLY  13           HA1      GLY  13   7.617  -0.504  -3.210
  137    H    PHE  14           HN       PHE  14   8.345   0.905  -0.829
  138    HA   PHE  14           HA       PHE  14  11.018   1.527  -1.222
  139    HB2  PHE  14           HB2      PHE  14   9.232   1.808   1.188
  140    HB3  PHE  14           HB1      PHE  14  10.795   2.549   1.033
  141    HD1  PHE  14           HD1      PHE  14  10.567   3.333  -1.899
  142    HD2  PHE  14           HD2      PHE  14   7.952   3.704   1.424
  143    HE1  PHE  14           HE1      PHE  14   9.529   5.302  -2.953
  144    HE2  PHE  14           HE2      PHE  14   6.898   5.677   0.378
  145    HZ   PHE  14           HZ       PHE  14   7.688   6.472  -1.815
  146    H    ILE  15           HN       ILE  15   9.629  -0.096   1.603
  147    HA   ILE  15           HA       ILE  15  12.059  -1.040   2.622
  148    HB   ILE  15           HB       ILE  15  10.708  -2.644   3.961
  149   HG12  ILE  15          HG12      ILE  15   8.376  -1.430   2.458
  150   HG13  ILE  15          HG11      ILE  15   8.942  -3.088   2.292
  151   HG21  ILE  15          HG21      ILE  15   9.515  -0.918   5.232
  152   HG22  ILE  15          HG22      ILE  15   9.719   0.202   3.885
  153   HG23  ILE  15          HG23      ILE  15  11.131  -0.396   4.756
  154   HD11  ILE  15          HD11      ILE  15   6.970  -2.968   3.698
  155   HD12  ILE  15          HD12      ILE  15   7.798  -1.853   4.786
  156   HD13  ILE  15          HD13      ILE  15   8.367  -3.513   4.625
  157    H    SER  16           HN       SER  16  13.418  -2.436   1.795
  158    HA   SER  16           HA       SER  16  12.395  -4.860   0.530
  159    HB2  SER  16           HB2      SER  16  12.938  -3.112  -1.232
  160    HB3  SER  16           HB1      SER  16  14.618  -3.225  -0.712
  161    HG   SER  16           HG       SER  16  14.210  -5.626  -1.114
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1 -10.889   3.999   1.828
    2    H2   LYS   1           HT2      LYS   1 -11.992   2.803   1.379
    3    H3   LYS   1           HT3      LYS   1 -12.273   4.412   0.947
    4    HA   LYS   1           HA       LYS   1 -11.493   3.177  -0.948
    5    HB2  LYS   1           HB2      LYS   1  -9.403   5.065   0.167
    6    HB3  LYS   1           HB1      LYS   1  -9.511   4.559  -1.509
    7    HG2  LYS   1           HG2      LYS   1 -11.643   6.100  -0.045
    8    HG3  LYS   1           HG1      LYS   1 -10.420   6.816  -1.092
    9    HD2  LYS   1           HD2      LYS   1 -11.268   5.420  -2.958
   10    HD3  LYS   1           HD1      LYS   1 -12.551   4.839  -1.896
   11    HE2  LYS   1           HE2      LYS   1 -13.368   6.634  -3.313
   12    HE3  LYS   1           HE1      LYS   1 -13.359   7.135  -1.624
   13    HZ1  LYS   1           HZ1      LYS   1 -12.514   8.882  -3.043
   14    HZ2  LYS   1           HZ2      LYS   1 -11.324   7.857  -3.667
   15    HZ3  LYS   1           HZ3      LYS   1 -11.275   8.316  -2.040
   16    H    TRP   2           HN       TRP   2 -10.445   1.414  -1.607
   17    HA   TRP   2           HA       TRP   2  -8.643   0.074   0.198
   18    HB2  TRP   2           HB2      TRP   2  -9.657  -0.765  -2.527
   19    HB3  TRP   2           HB1      TRP   2  -8.781  -1.788  -1.394
   20    HD1  TRP   2           HD1      TRP   2 -12.238  -0.466  -2.162
   21    HE1  TRP   2           HE1      TRP   2 -13.942  -1.554  -0.567
   22    HE3  TRP   2           HE3      TRP   2  -8.988  -2.742   1.067
   23    HZ2  TRP   2           HZ2      TRP   2 -13.895  -3.173   1.756
   24    HZ3  TRP   2           HZ3      TRP   2  -9.916  -4.039   2.944
   25    HH2  TRP   2           HH2      TRP   2 -12.324  -4.236   3.262
   26    H    ALA   3           HN       ALA   3  -8.378   2.295  -2.291
   27    HA   ALA   3           HA       ALA   3  -6.004   1.346  -3.519
   28    HB1  ALA   3           HB1      ALA   3  -5.879   3.411  -4.644
   29    HB2  ALA   3           HB2      ALA   3  -6.892   4.210  -3.439
   30    HB3  ALA   3           HB3      ALA   3  -7.592   3.006  -4.522
   31    H    VAL   4           HN       VAL   4  -6.549   2.679  -0.452
   32    HA   VAL   4           HA       VAL   4  -4.141   4.046  -0.032
   33    HB   VAL   4           HB       VAL   4  -5.782   2.471   1.960
   34   HG11  VAL   4          HG11      VAL   4  -3.559   2.981   2.769
   35   HG12  VAL   4          HG12      VAL   4  -4.776   3.943   3.610
   36   HG13  VAL   4          HG13      VAL   4  -3.790   4.677   2.347
   37   HG21  VAL   4          HG21      VAL   4  -7.141   4.150   0.870
   38   HG22  VAL   4          HG22      VAL   4  -5.903   5.371   1.175
   39   HG23  VAL   4          HG23      VAL   4  -6.771   4.643   2.524
   40    H    ARG   5           HN       ARG   5  -5.056   0.636   0.144
   41    HA   ARG   5           HA       ARG   5  -2.574  -0.302   1.151
   42    HB2  ARG   5           HB2      ARG   5  -4.655  -1.724  -0.515
   43    HB3  ARG   5           HB1      ARG   5  -3.288  -2.515   0.257
   44    HG2  ARG   5           HG2      ARG   5  -5.518  -1.060   1.656
   45    HG3  ARG   5           HG1      ARG   5  -5.302  -2.805   1.569
   46    HD2  ARG   5           HD2      ARG   5  -3.211  -2.621   2.802
   47    HD3  ARG   5           HD1      ARG   5  -3.378  -0.868   2.852
   48    HE   ARG   5           HE       ARG   5  -5.679  -1.943   3.977
   49   HH11  ARG   5          HH11      ARG   5  -2.243  -1.908   4.667
   50   HH12  ARG   5          HH12      ARG   5  -2.464  -1.987   6.385
   51   HH21  ARG   5          HH21      ARG   5  -5.960  -2.068   6.243
   52   HH22  ARG   5          HH22      ARG   5  -4.569  -2.085   7.278
   53    H    ILE   6           HN       ILE   6  -3.535   0.863  -1.900
   54    HA   ILE   6           HA       ILE   6  -1.480  -0.377  -3.472
   55    HB   ILE   6           HB       ILE   6  -3.302   1.996  -3.912
   56   HG12  ILE   6          HG12      ILE   6  -4.362   0.701  -5.574
   57   HG13  ILE   6          HG11      ILE   6  -3.032  -0.450  -5.654
   58   HG21  ILE   6          HG21      ILE   6  -2.383   2.237  -6.170
   59   HG22  ILE   6          HG22      ILE   6  -1.137   1.051  -5.778
   60   HG23  ILE   6          HG23      ILE   6  -1.186   2.592  -4.923
   61   HD11  ILE   6          HD11      ILE   6  -5.076  -1.341  -4.599
   62   HD12  ILE   6          HD12      ILE   6  -4.897  -0.150  -3.311
   63   HD13  ILE   6          HD13      ILE   6  -3.670  -1.393  -3.540
   64    H    ILE   7           HN       ILE   7  -1.879   2.738  -1.800
   65    HA   ILE   7           HA       ILE   7   0.708   3.743  -2.350
   66    HB   ILE   7           HB       ILE   7  -1.228   4.275  -0.096
   67   HG12  ILE   7          HG12      ILE   7  -1.130   6.597  -1.135
   68   HG13  ILE   7          HG11      ILE   7  -0.226   5.869  -2.454
   69   HG21  ILE   7          HG21      ILE   7   1.489   5.535  -0.444
   70   HG22  ILE   7          HG22      ILE   7   0.988   4.474   0.874
   71   HG23  ILE   7          HG23      ILE   7   0.249   6.066   0.694
   72   HD11  ILE   7          HD11      ILE   7  -2.111   4.441  -2.979
   73   HD12  ILE   7          HD12      ILE   7  -2.585   6.140  -2.991
   74   HD13  ILE   7          HD13      ILE   7  -3.015   5.112  -1.625
   75    H    ARG   8           HN       ARG   8  -0.587   1.687   0.210
   76    HA   ARG   8           HA       ARG   8   1.809   1.338   1.650
   77    HB2  ARG   8           HB2      ARG   8  -0.486  -0.601   1.316
   78    HB3  ARG   8           HB1      ARG   8   0.766  -0.705   2.544
   79    HG2  ARG   8           HG2      ARG   8  -1.262   1.502   2.264
   80    HG3  ARG   8           HG1      ARG   8  -1.290   0.201   3.453
   81    HD2  ARG   8           HD2      ARG   8   0.859   1.018   4.353
   82    HD3  ARG   8           HD1      ARG   8   0.803   2.357   3.205
   83    HE   ARG   8           HE       ARG   8  -1.528   2.127   4.886
   84   HH11  ARG   8          HH11      ARG   8   1.666   3.521   4.557
   85   HH12  ARG   8          HH12      ARG   8   1.364   4.799   5.683
   86   HH21  ARG   8          HH21      ARG   8  -1.932   3.815   6.367
   87   HH22  ARG   8          HH22      ARG   8  -0.687   4.974   6.707
   88    H    LYS   9           HN       LYS   9   0.667   0.003  -1.339
   89    HA   LYS   9           HA       LYS   9   2.378  -2.244  -1.494
   90    HB2  LYS   9           HB2      LYS   9   0.347  -1.571  -2.988
   91    HB3  LYS   9           HB1      LYS   9   1.552  -0.667  -3.905
   92    HG2  LYS   9           HG2      LYS   9   1.159  -2.860  -4.865
   93    HG3  LYS   9           HG1      LYS   9   2.814  -2.714  -4.273
   94    HD2  LYS   9           HD2      LYS   9   2.276  -3.953  -2.295
   95    HD3  LYS   9           HD1      LYS   9   0.558  -3.958  -2.722
   96    HE2  LYS   9           HE2      LYS   9   1.035  -5.326  -4.679
   97    HE3  LYS   9           HE1      LYS   9   2.759  -5.274  -4.317
   98    HZ1  LYS   9           HZ1      LYS   9   1.652  -7.343  -3.599
   99    HZ2  LYS   9           HZ2      LYS   9   0.717  -6.450  -2.511
  100    HZ3  LYS   9           HZ3      LYS   9   2.396  -6.517  -2.328
  101    H    PHE  10           HN       PHE  10   2.640   1.100  -2.478
  102    HA   PHE  10           HA       PHE  10   5.197   0.963  -3.662
  103    HB2  PHE  10           HB2      PHE  10   3.942   3.319  -2.246
  104    HB3  PHE  10           HB1      PHE  10   5.215   3.379  -3.460
  105    HD1  PHE  10           HD1      PHE  10   2.482   4.782  -3.411
  106    HD2  PHE  10           HD2      PHE  10   3.867   1.208  -5.245
  107    HE1  PHE  10           HE1      PHE  10   0.771   5.024  -5.165
  108    HE2  PHE  10           HE2      PHE  10   2.170   1.446  -7.010
  109    HZ   PHE  10           HZ       PHE  10   0.617   3.356  -6.969
  110    H    ILE  11           HN       ILE  11   4.054   1.388  -0.409
  111    HA   ILE  11           HA       ILE  11   6.568   1.916   0.811
  112    HB   ILE  11           HB       ILE  11   3.894   1.067   1.851
  113   HG12  ILE  11          HG12      ILE  11   3.886   3.175   2.881
  114   HG13  ILE  11          HG11      ILE  11   5.642   3.308   2.833
  115   HG21  ILE  11          HG21      ILE  11   5.388  -0.286   3.154
  116   HG22  ILE  11          HG22      ILE  11   4.845   1.070   4.146
  117   HG23  ILE  11          HG23      ILE  11   6.456   1.091   3.420
  118   HD11  ILE  11          HD11      ILE  11   3.754   3.524   0.513
  119   HD12  ILE  11          HD12      ILE  11   5.518   3.528   0.388
  120   HD13  ILE  11          HD13      ILE  11   4.685   4.832   1.254
  121    H    LYS  12           HN       LYS  12   4.800  -0.977  -0.010
  122    HA   LYS  12           HA       LYS  12   6.612  -2.763   1.302
  123    HB2  LYS  12           HB2      LYS  12   4.593  -3.225  -0.893
  124    HB3  LYS  12           HB1      LYS  12   5.527  -4.513  -0.141
  125    HG2  LYS  12           HG2      LYS  12   4.561  -3.926   2.034
  126    HG3  LYS  12           HG1      LYS  12   3.598  -2.670   1.255
  127    HD2  LYS  12           HD2      LYS  12   2.467  -4.363  -0.091
  128    HD3  LYS  12           HD1      LYS  12   3.450  -5.624   0.660
  129    HE2  LYS  12           HE2      LYS  12   2.519  -5.012   2.851
  130    HE3  LYS  12           HE1      LYS  12   1.505  -3.802   2.070
  131    HZ1  LYS  12           HZ1      LYS  12   0.442  -5.594   0.813
  132    HZ2  LYS  12           HZ2      LYS  12   0.263  -5.808   2.480
  133    HZ3  LYS  12           HZ3      LYS  12   1.389  -6.735   1.626
  134    H    GLY  13           HN       GLY  13   6.712  -0.993  -1.608
  135    HA2  GLY  13           HA2      GLY  13   8.935  -2.554  -2.677
  136    HA3  GLY  13           HA1      GLY  13   8.228  -1.108  -3.398
  137    H    PHE  14           HN       PHE  14   8.302   0.412  -0.906
  138    HA   PHE  14           HA       PHE  14  10.905   1.511  -1.179
  139    HB2  PHE  14           HB2      PHE  14   9.376   3.106  -0.728
  140    HB3  PHE  14           HB1      PHE  14   8.363   2.042   0.200
  141    HD1  PHE  14           HD1      PHE  14  11.755   3.561   0.545
  142    HD2  PHE  14           HD2      PHE  14   7.997   2.640   2.271
  143    HE1  PHE  14           HE1      PHE  14  12.452   4.698   2.622
  144    HE2  PHE  14           HE2      PHE  14   8.670   3.765   4.370
  145    HZ   PHE  14           HZ       PHE  14  10.904   4.795   4.539
  146    H    ILE  15           HN       ILE  15   9.236   0.006   1.583
  147    HA   ILE  15           HA       ILE  15  11.889  -0.712   2.657
  148    HB   ILE  15           HB       ILE  15  10.727  -1.250   4.783
  149   HG12  ILE  15          HG12      ILE  15   8.340   0.072   3.481
  150   HG13  ILE  15          HG11      ILE  15   8.479  -1.649   3.823
  151   HG21  ILE  15          HG21      ILE  15  10.400   1.564   3.765
  152   HG22  ILE  15          HG22      ILE  15  11.834   0.873   4.521
  153   HG23  ILE  15          HG23      ILE  15  10.359   1.087   5.461
  154   HD11  ILE  15          HD11      ILE  15   8.460   0.563   5.863
  155   HD12  ILE  15          HD12      ILE  15   8.604  -1.160   6.212
  156   HD13  ILE  15          HD13      ILE  15   7.124  -0.527   5.491
  157    H    SER  16           HN       SER  16  11.779  -2.843   3.969
  158    HA   SER  16           HA       SER  16  10.757  -4.893   2.170
  159    HB2  SER  16           HB2      SER  16  12.524  -5.195   4.612
  160    HB3  SER  16           HB1      SER  16  12.198  -6.425   3.390
  161    HG   SER  16           HG       SER  16  13.360  -3.923   2.755