*HEADER    ANTIMICROBIAL PROTEIN                   23-JAN-20   6VLA              
*TITLE     HS05 - INTRAGENIC ANTIMICROBIAL PEPTIDE                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTRAGENIC ANTIMICROBIAL PEPTIDE;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RNA CYTIDINE ACETYLTRANSFERASE, 18S RRNA CYTOSINE           
*COMPND   5 ACETYLTRANSFERASE,N-ACETYLTRANSFERASE 10,N-ACETYLTRANSFERASE-LIKE    
*COMPND   6 PROTEIN,HALP;                                                        
*COMPND   7 EC: 2.3.1.-;                                                         
*COMPND   8 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    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.A.SANTOS,E.M.C.SILVA,G.D.BRAND,A.L.OLIVEIRA                         
*REVDAT   1   02-DEC-20 6VLA    0                                                
# Restraints file 1: Bt01restraints
assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 2.8 1.0 1.0 volume=204766.000 peak=1 ppm1=8.362 ppm2=4.224

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB2
	 ) 2.8 1.0 1.0 volume=215390.000 peak=2 ppm1=8.365 ppm2=2.772

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HA
	 ) 2.6 0.8 0.8 volume=371331.000 peak=3 ppm1=2.770 ppm2=4.226

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name HA
	 ) 2.5 0.8 0.8 volume=448939.000 peak=4 ppm1=2.697 ppm2=4.226

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 ) 3.2 1.3 1.3 volume=105311.500 peak=5 ppm1=4.223 ppm2=2.772

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB3
	 ) 3.2 1.3 1.3 volume=106046.500 peak=6 ppm1=4.223 ppm2=2.688

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA3
	 or resid 3 and name HA2
	 ) 3.0 1.1 1.1 volume=135165.500 peak=7 ppm1=8.313 ppm2=4.099

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 3.1 1.2 1.2 volume=111371.500 peak=8 ppm1=8.270 ppm2=4.104

assign ( resid 5 and name H
	 )
       ( resid 5 and name HB2
	 ) 2.6 0.9 0.9 volume=293860.000 peak=9 ppm1=8.271 ppm2=3.082

assign ( resid 5 and name HB3
	 or resid 5 and name HB2
	 )
       ( resid 5 and name HA
	 ) 2.6 0.8 0.8 volume=319901.000 peak=10 ppm1=3.082 ppm2=4.104

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 2.9 1.1 1.1 volume=150266.000 peak=11 ppm1=4.103 ppm2=3.081

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 2.8 1.0 1.0 volume=253761.000 peak=12 ppm1=8.202 ppm2=3.442

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB
	 ) 2.5 0.8 0.8 volume=459150.500 peak=13 ppm1=8.202 ppm2=1.761

assign ( resid 9 and name HB
	 )
       ( resid 9 and name HA
	 ) 2.6 0.8 0.8 volume=315249.500 peak=14 ppm1=1.761 ppm2=3.442

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB
	 ) 2.5 0.8 0.8 volume=460938.000 peak=15 ppm1=3.442 ppm2=1.762

assign ( resid 9 and name HG2#
	 )
       ( resid 9 and name HA
	 ) 2.2 0.6 0.6 volume=1179542.000 peak=16 ppm1=0.728 ppm2=3.444

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HA
	 ) 2.5 0.8 0.8 volume=467584.500 peak=17 ppm1=0.562 ppm2=3.439

assign ( resid 9 and name HG2#
	 )
       ( resid 9 and name HB
	 ) 1.9 0.5 0.5 volume=2264434.000 peak=18 ppm1=0.723 ppm2=1.747

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HB
	 ) 2.4 0.7 0.7 volume=558383.000 peak=19 ppm1=0.564 ppm2=1.761

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HG2#
	 ) 2.0 0.5 0.5 volume=1707796.000 peak=20 ppm1=0.564 ppm2=0.722

assign ( resid 9 and name HG2#
	 )
       ( resid 9 and name HD1#
	 ) 2.0 0.5 0.5 volume=1806722.000 peak=21 ppm1=0.726 ppm2=0.565

assign ( resid 9 and name HB
	 )
       ( resid 9 and name HG2#
	 ) 2.0 0.5 0.5 volume=1333362.000 peak=22 ppm1=1.751 ppm2=0.725

assign ( resid 9 and name HB
	 )
       ( resid 9 and name HD1#
	 ) 2.6 0.8 0.8 volume=322334.000 peak=23 ppm1=1.765 ppm2=0.561

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HG2#
	 ) 2.2 0.6 0.6 volume=1044498.500 peak=24 ppm1=3.441 ppm2=0.726

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.6 0.9 0.9 volume=332010.000 peak=25 ppm1=8.118 ppm2=3.505

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB
	 ) 2.6 0.9 0.9 volume=348179.000 peak=26 ppm1=8.121 ppm2=2.142

assign ( resid 12 and name HB
	 )
       ( resid 12 and name HA
	 ) 2.7 0.9 0.9 volume=269391.500 peak=27 ppm1=2.143 ppm2=3.497

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HB
	 ) 2.2 0.6 0.6 volume=1148743.000 peak=28 ppm1=0.855 ppm2=2.147

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB
	 ) 2.5 0.8 0.8 volume=406659.000 peak=29 ppm1=3.497 ppm2=2.145

assign ( resid 12 and name HB
	 )
       ( resid 12 and name HG2#
	 ) 2.3 0.7 0.7 volume=628465.500 peak=30 ppm1=2.139 ppm2=0.858

assign ( resid 12 and name HG1#
	 )
       ( resid 12 and name HB
	 ) 2.1 0.6 0.6 volume=1245109.500 peak=31 ppm1=0.936 ppm2=2.147

assign ( resid 12 and name HB
	 )
       ( resid 12 and name HG1#
	 ) 2.3 0.6 0.6 volume=735575.500 peak=32 ppm1=2.142 ppm2=0.936

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 2.7 0.9 0.9 volume=226542.000 peak=33 ppm1=8.079 ppm2=3.520

assign ( resid 8 and name H
	 )
       ( resid 8 and name HB
	 ) 2.7 0.9 0.9 volume=250216.000 peak=34 ppm1=8.077 ppm2=1.907

assign ( resid 8 and name HB
	 )
       ( resid 8 and name HA
	 ) 2.5 0.8 0.8 volume=367030.000 peak=35 ppm1=1.901 ppm2=3.519

assign ( resid 8 and name HG2#
	 )
       ( resid 8 and name HA
	 ) 2.1 0.5 0.5 volume=1401616.000 peak=36 ppm1=0.728 ppm2=3.512

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HB
	 ) 2.3 0.7 0.7 volume=599685.000 peak=37 ppm1=3.519 ppm2=1.902

assign ( resid 8 and name HG2#
	 )
       ( resid 8 and name HB
	 ) 2.1 0.5 0.5 volume=1431548.000 peak=38 ppm1=0.725 ppm2=1.903

assign ( resid 8 and name HB
	 )
       ( resid 8 and name HG2#
	 ) 2.2 0.6 0.6 volume=898288.000 peak=39 ppm1=1.902 ppm2=0.722

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG2#
	 ) 2.1 0.5 0.5 volume=1415167.500 peak=40 ppm1=3.512 ppm2=0.728

assign ( resid 4 and name H
	 )
       ( resid 4 and name HA
	 ) 3.0 1.1 1.1 volume=130785.000 peak=41 ppm1=8.027 ppm2=3.972

assign ( resid 4 and name H
	 )
       ( resid 4 and name HG
	 ) 2.7 0.9 0.9 volume=252303.000 peak=42 ppm1=8.027 ppm2=1.583

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HG
	 ) 2.3 0.7 0.7 volume=621937.000 peak=43 ppm1=3.965 ppm2=1.586

assign ( resid 17 and name H
	 )
       ( resid 17 and name HA
	 ) 2.4 0.7 0.7 volume=594409.500 peak=44 ppm1=7.922 ppm2=4.471

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB3
	 ) 2.5 0.8 0.8 volume=504703.500 peak=45 ppm1=7.923 ppm2=2.734

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name HA
	 ) 2.4 0.7 0.7 volume=657598.500 peak=46 ppm1=2.733 ppm2=4.470

assign ( resid 17 and name HB2
	 )
       ( resid 17 and name HA
	 ) 2.4 0.7 0.7 volume=550265.000 peak=47 ppm1=2.697 ppm2=4.471

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 2.6 0.8 0.8 volume=376523.000 peak=48 ppm1=7.876 ppm2=4.169

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB3
	 ) 2.6 0.8 0.8 volume=372778.000 peak=49 ppm1=7.874 ppm2=3.114

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB2
	 ) 2.5 0.8 0.8 volume=426861.000 peak=50 ppm1=7.873 ppm2=2.876

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name HA
	 ) 2.4 0.7 0.7 volume=591235.500 peak=51 ppm1=3.109 ppm2=4.172

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name HA
	 ) 2.4 0.7 0.7 volume=471922.000 peak=52 ppm1=2.884 ppm2=4.172

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name HB2
	 ) 2.1 0.6 0.6 volume=1034124.000 peak=53 ppm1=3.113 ppm2=2.876

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB2
	 ) 2.9 1.0 1.0 volume=173031.500 peak=54 ppm1=4.169 ppm2=2.876

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA
	 ) 2.4 0.7 0.7 volume=565073.500 peak=55 ppm1=7.821 ppm2=3.953

assign ( resid 15 and name H
	 )
       ( resid 15 and name HB3
	 ) 2.1 0.6 0.6 volume=1163921.000 peak=56 ppm1=7.820 ppm2=1.759

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG
	 ) 2.5 0.8 0.8 volume=451531.000 peak=57 ppm1=7.820 ppm2=1.320

assign ( resid 15 and name HB3
	 )
       ( resid 15 and name HG
	 ) 2.2 0.6 0.6 volume=808246.500 peak=58 ppm1=1.760 ppm2=1.323

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB3
	 ) 2.4 0.7 0.7 volume=479234.500 peak=59 ppm1=3.947 ppm2=1.761

assign ( resid 15 and name HG
	 )
       ( resid 15 and name HB3
	 ) 2.3 0.6 0.6 volume=734992.000 peak=60 ppm1=1.323 ppm2=1.761

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 2.7 0.9 0.9 volume=216714.500 peak=61 ppm1=7.820 ppm2=3.896

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HB2
	 ) 2.6 0.8 0.8 volume=340878.500 peak=62 ppm1=3.891 ppm2=1.745

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 2.6 0.9 0.9 volume=225833.000 peak=63 ppm1=7.502 ppm2=3.996

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.3 0.7 0.7 volume=684789.500 peak=64 ppm1=7.503 ppm2=1.853

assign ( resid 14 and name H
	 )
       ( resid 14 and name HD2
	 ) 2.8 1.0 1.0 volume=216761.000 peak=65 ppm1=7.502 ppm2=1.594

assign ( resid 14 and name H
	 )
       ( resid 14 and name HG3
	 ) 2.8 1.0 1.0 volume=218023.500 peak=66 ppm1=7.503 ppm2=1.485

assign ( resid 14 and name HB2
	 or resid 14 and name HB3
	 )
       ( resid 14 and name HA
	 ) 2.1 0.5 0.5 volume=1283684.000 peak=67 ppm1=1.853 ppm2=3.996

assign ( resid 14 and name HD2
	 )
       ( resid 14 and name HA
	 ) 2.2 0.6 0.6 volume=917459.000 peak=68 ppm1=1.594 ppm2=3.996

assign ( resid 14 and name HG3
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HB3
	 ) 2.3 0.7 0.7 volume=573264.000 peak=69 ppm1=1.485 ppm2=1.852

assign ( resid 14 and name HB2
	 or resid 14 and name HB3
	 )
       ( resid 14 and name HD2
	 ) 2.3 0.7 0.7 volume=686996.500 peak=70 ppm1=1.855 ppm2=1.594

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD3
	 ) 2.3 0.7 0.7 volume=686996.500 peak=70 ppm1=1.855 ppm2=1.594

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HG3
	 ) 2.4 0.7 0.7 volume=513232.000 peak=71 ppm1=1.848 ppm2=1.484

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HB3
	 ) 2.1 0.6 0.6 volume=1145371.000 peak=72 ppm1=3.996 ppm2=1.852

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HD2
	 ) 2.3 0.7 0.7 volume=700906.500 peak=73 ppm1=3.994 ppm2=1.595

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.3 0.7 0.7 volume=522717.500 peak=74 ppm1=7.478 ppm2=4.005

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB3
	 ) 2.5 0.8 0.8 volume=433174.500 peak=75 ppm1=7.478 ppm2=1.922

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB3
	 ) 2.5 0.8 0.8 volume=399566.500 peak=76 ppm1=3.997 ppm2=1.932

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG1#
	 ) 2.3 0.7 0.7 volume=695460.000 peak=77 ppm1=8.120 ppm2=0.936

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HG
	 ) 2.7 0.9 0.9 volume=308354.500 peak=78 ppm1=1.957 ppm2=1.585

assign ( resid 4 and name HG
	 )
       ( resid 4 and name HB3
	 ) 2.5 0.8 0.8 volume=359134.000 peak=79 ppm1=1.586 ppm2=1.952

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HB3
	 ) 2.7 0.9 0.9 volume=219312.500 peak=80 ppm1=3.977 ppm2=1.947

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HA
	 ) 2.7 0.9 0.9 volume=247657.000 peak=81 ppm1=1.959 ppm2=3.978

assign ( resid 7 and name HD3
	 )
       ( resid 11 and name HB2
	 or resid 11 and name HB3
	 ) 2.5 0.8 0.8 volume=433189.000 peak=82 ppm1=3.093 ppm2=1.938

assign ( resid 15 and name HB3
	 )
       ( resid 15 and name HA
	 ) 2.4 0.7 0.7 volume=516908.500 peak=83 ppm1=1.759 ppm2=3.949

assign ( resid 2 and name HG3
	 )
       ( resid 2 and name HA
	 ) 2.9 1.0 1.0 volume=174108.500 peak=84 ppm1=2.598 ppm2=4.284

assign ( resid 2 and name HG2
	 )
       ( resid 2 and name HA
	 ) 2.9 1.1 1.1 volume=164779.000 peak=85 ppm1=2.561 ppm2=4.283

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HA
	 ) 2.4 0.7 0.7 volume=537322.000 peak=86 ppm1=2.019 ppm2=4.287

assign ( resid 14 and name HE3
	 )
       ( resid 14 and name HA
	 ) 3.0 1.1 1.1 volume=160035.000 peak=87 ppm1=2.856 ppm2=3.997

assign ( resid 14 and name HE2
	 )
       ( resid 14 and name HA
	 ) 2.9 1.0 1.0 volume=163940.500 peak=88 ppm1=2.766 ppm2=3.996

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HE3
	 ) 3.0 1.1 1.1 volume=139984.000 peak=89 ppm1=1.851 ppm2=2.859

assign ( resid 14 and name HD2
	 or resid 14 and name HD3
	 )
       ( resid 14 and name HE3
	 ) 2.4 0.7 0.7 volume=542874.000 peak=90 ppm1=1.601 ppm2=2.860

assign ( resid 14 and name HG3
	 )
       ( resid 14 and name HE3
	 ) 2.8 1.0 1.0 volume=194041.000 peak=91 ppm1=1.483 ppm2=2.861

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HE2
	 ) 3.1 1.2 1.2 volume=102952.500 peak=92 ppm1=1.851 ppm2=2.775

assign ( resid 14 and name HD2
	 or resid 14 and name HD3
	 )
       ( resid 14 and name HE2
	 ) 2.3 0.7 0.7 volume=635170.000 peak=93 ppm1=1.609 ppm2=2.778

assign ( resid 14 and name HG3
	 )
       ( resid 14 and name HE2
	 ) 3.2 1.3 1.3 volume=88399.000 peak=94 ppm1=1.489 ppm2=2.777

assign ( resid 14 and name HE3
	 )
       ( resid 14 and name HB3
	 ) 2.9 1.0 1.0 volume=213487.000 peak=95 ppm1=2.857 ppm2=1.851

assign ( resid 14 and name HE2
	 )
       ( resid 14 and name HD2
	 or resid 14 and name HD3
	 ) 2.3 0.6 0.6 volume=794553.000 peak=96 ppm1=2.774 ppm2=1.604

assign ( resid 14 and name HE3
	 )
       ( resid 14 and name HD2
	 or resid 14 and name HD3
	 ) 2.3 0.7 0.7 volume=811124.000 peak=97 ppm1=2.854 ppm2=1.594

assign ( resid 14 and name HE3
	 )
       ( resid 14 and name HG3
	 ) 2.8 1.0 1.0 volume=275498.000 peak=98 ppm1=2.858 ppm2=1.482

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HE3
	 ) 3.2 1.3 1.3 volume=108681.500 peak=99 ppm1=3.995 ppm2=2.864

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HE2
	 ) 3.2 1.2 1.2 volume=98612.000 peak=100 ppm1=3.995 ppm2=2.775

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HA
	 ) 2.4 0.7 0.7 volume=454093.000 peak=101 ppm1=1.928 ppm2=4.002

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name HB3
	 ) 2.1 0.6 0.6 volume=1109554.500 peak=102 ppm1=2.877 ppm2=3.116

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB3
	 ) 2.8 1.0 1.0 volume=237049.000 peak=103 ppm1=4.164 ppm2=3.115

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HG3
	 ) 2.3 0.7 0.7 volume=650726.500 peak=104 ppm1=2.020 ppm2=2.600

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HG2
	 ) 2.3 0.7 0.7 volume=624791.000 peak=105 ppm1=2.018 ppm2=2.560

assign ( resid 2 and name HG2
	 )
       ( resid 2 and name HB3
	 ) 2.4 0.7 0.7 volume=583979.500 peak=106 ppm1=2.565 ppm2=2.019

assign ( resid 2 and name HG3
	 )
       ( resid 2 and name HB3
	 ) 2.3 0.7 0.7 volume=554097.000 peak=107 ppm1=2.599 ppm2=2.022

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HG3
	 ) 3.9 1.9 1.9 volume=32939.500 peak=108 ppm1=4.285 ppm2=2.598

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HG2
	 ) 3.8 1.8 1.8 volume=41390.000 peak=109 ppm1=4.286 ppm2=2.560

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HB3
	 ) 3.2 1.3 1.3 volume=96917.000 peak=110 ppm1=4.286 ppm2=2.019

assign ( resid 13 and name H
	 )
       ( resid 13 and name HA
	 ) 2.6 0.8 0.8 volume=410268.000 peak=111 ppm1=8.301 ppm2=3.480

assign ( resid 13 and name HB
	 )
       ( resid 13 and name HA
	 ) 2.6 0.9 0.9 volume=297047.000 peak=112 ppm1=2.034 ppm2=3.476

assign ( resid 13 and name HG2#
	 )
       ( resid 13 and name HB
	 ) 2.1 0.6 0.6 volume=1349191.500 peak=113 ppm1=0.939 ppm2=2.034

assign ( resid 13 and name HG1#
	 )
       ( resid 13 and name HB
	 ) 2.2 0.6 0.6 volume=1234476.500 peak=114 ppm1=0.864 ppm2=2.035

assign ( resid 13 and name HB
	 )
       ( resid 13 and name HG2#
	 ) 2.3 0.7 0.7 volume=697725.500 peak=115 ppm1=2.034 ppm2=0.938

assign ( resid 13 and name HB
	 )
       ( resid 13 and name HG1#
	 ) 2.3 0.7 0.7 volume=689560.000 peak=116 ppm1=2.032 ppm2=0.863

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HB
	 ) 2.4 0.7 0.7 volume=533307.000 peak=117 ppm1=3.475 ppm2=2.034

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HG1#
	 ) 2.0 0.5 0.5 volume=1622294.000 peak=118 ppm1=3.473 ppm2=0.865

assign ( resid 13 and name H
	 )
       ( resid 13 and name HB
	 ) 2.5 0.8 0.8 volume=439292.500 peak=119 ppm1=8.303 ppm2=2.034

assign ( resid 12 and name HG1#
	 )
       ( resid 12 and name HA
	 ) 2.0 0.5 0.5 volume=2031021.500 peak=120 ppm1=0.934 ppm2=3.505

assign ( resid 12 and name HG2#
	 )
       ( resid 12 and name HA
	 ) 2.0 0.5 0.5 volume=1632790.000 peak=121 ppm1=0.853 ppm2=3.505

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG1#
	 ) 2.0 0.5 0.5 volume=1641883.000 peak=122 ppm1=3.503 ppm2=0.938

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG2#
	 ) 2.1 0.5 0.5 volume=1156395.000 peak=123 ppm1=3.502 ppm2=0.846

assign ( resid 4 and name H
	 )
       ( resid 4 and name HD2#
	 ) 2.9 1.0 1.0 volume=150748.500 peak=124 ppm1=8.027 ppm2=0.724

assign ( resid 4 and name HD2#
	 )
       ( resid 4 and name HA
	 ) 2.2 0.6 0.6 volume=1032288.000 peak=125 ppm1=0.719 ppm2=3.971

assign ( resid 4 and name HG
	 )
       ( resid 4 and name HD2#
	 ) 2.1 0.5 0.5 volume=1270100.000 peak=126 ppm1=1.594 ppm2=0.746

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HD2#
	 ) 2.2 0.6 0.6 volume=868199.500 peak=127 ppm1=3.948 ppm2=0.729

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.7 0.9 0.9 volume=297884.000 peak=128 ppm1=7.805 ppm2=3.805

assign ( resid 10 and name HD2
	 )
       ( resid 10 and name HA
	 ) 3.0 1.1 1.1 volume=154266.500 peak=129 ppm1=3.040 ppm2=3.805

assign ( resid 10 and name HB3
	 or resid 10 and name HB2
	 )
       ( resid 10 and name HA
	 ) 2.3 0.7 0.7 volume=580813.000 peak=130 ppm1=1.742 ppm2=3.803

assign ( resid 10 and name HG3
	 )
       ( resid 10 and name HA
	 ) 2.6 0.8 0.8 volume=348854.000 peak=131 ppm1=1.566 ppm2=3.805

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HD3
	 ) 2.8 1.0 1.0 volume=206606.500 peak=132 ppm1=3.804 ppm2=3.091

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HD2
	 ) 3.0 1.1 1.1 volume=139224.000 peak=133 ppm1=3.803 ppm2=3.044

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HB3
	 or resid 10 and name HB2
	 ) 2.2 0.6 0.6 volume=845857.000 peak=134 ppm1=3.804 ppm2=1.742

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HG3
	 ) 2.6 0.8 0.8 volume=384638.000 peak=135 ppm1=3.804 ppm2=1.564

assign ( resid 10 and name HD3
	 )
       ( resid 10 and name HB3
	 ) 2.1 0.6 0.6 volume=967854.000 peak=136 ppm1=3.078 ppm2=1.746

assign ( resid 10 and name HD3
	 )
       ( resid 10 and name HG3
	 ) 2.3 0.7 0.7 volume=612266.500 peak=137 ppm1=3.075 ppm2=1.563

assign ( resid 10 and name HD2
	 )
       ( resid 10 and name HB3
	 or resid 10 and name HB2
	 ) 2.4 0.7 0.7 volume=408084.000 peak=138 ppm1=3.042 ppm2=1.741

assign ( resid 10 and name HD2
	 )
       ( resid 10 and name HG3
	 ) 2.6 0.9 0.9 volume=284971.500 peak=139 ppm1=3.040 ppm2=1.564

assign ( resid 10 and name HB3
	 )
       ( resid 10 and name HD3
	 ) 2.2 0.6 0.6 volume=722392.500 peak=140 ppm1=1.741 ppm2=3.073

assign ( resid 10 and name HG3
	 )
       ( resid 10 and name HD3
	 ) 2.4 0.7 0.7 volume=509973.000 peak=141 ppm1=1.566 ppm2=3.074

assign ( resid 10 and name HB3
	 or resid 10 and name HB2
	 )
       ( resid 10 and name HD2
	 ) 2.4 0.7 0.7 volume=412008.500 peak=142 ppm1=1.741 ppm2=3.041

assign ( resid 10 and name HG3
	 )
       ( resid 10 and name HD2
	 ) 2.6 0.8 0.8 volume=332532.500 peak=143 ppm1=1.565 ppm2=3.039

assign ( resid 10 and name HG3
	 )
       ( resid 10 and name HB3
	 or resid 10 and name HB2
	 ) 2.1 0.5 0.5 volume=1275841.500 peak=144 ppm1=1.568 ppm2=1.742

assign ( resid 10 and name HB3
	 or resid 10 and name HB2
	 )
       ( resid 10 and name HG3
	 ) 2.1 0.6 0.6 volume=1047790.500 peak=145 ppm1=1.740 ppm2=1.562

assign ( resid 7 and name HG2
	 )
       ( resid 7 and name HA
	 ) 2.7 0.9 0.9 volume=244993.000 peak=146 ppm1=1.509 ppm2=3.898

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG2
	 ) 2.7 0.9 0.9 volume=293059.500 peak=147 ppm1=3.893 ppm2=1.515

assign ( resid 1 and name HB2
	 )
       ( resid 1 and name HA
	 ) 2.9 1.0 1.0 volume=189850.000 peak=148 ppm1=1.585 ppm2=3.622

assign ( resid 1 and name HB3
	 )
       ( resid 1 and name HA
	 ) 2.7 0.9 0.9 volume=272936.000 peak=149 ppm1=1.491 ppm2=3.623

assign ( resid 1 and name HG
	 )
       ( resid 1 and name HA
	 ) 2.4 0.7 0.7 volume=382166.000 peak=150 ppm1=0.815 ppm2=3.621

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB2
	 ) 2.8 1.0 1.0 volume=227548.000 peak=151 ppm1=3.617 ppm2=1.587

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB3
	 ) 2.6 0.8 0.8 volume=356851.500 peak=152 ppm1=3.619 ppm2=1.497

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HG
	 ) 2.4 0.7 0.7 volume=511216.000 peak=153 ppm1=3.620 ppm2=0.814

assign ( resid 1 and name HG
	 )
       ( resid 1 and name HB3
	 ) 2.1 0.6 0.6 volume=831920.500 peak=154 ppm1=0.826 ppm2=1.496

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HA
	 ) 2.4 0.7 0.7 volume=504063.000 peak=155 ppm1=1.383 ppm2=3.996

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HB3
	 ) 2.3 0.7 0.7 volume=616974.500 peak=156 ppm1=1.384 ppm2=1.857

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HD2
	 or resid 14 and name HD3
	 ) 2.0 0.5 0.5 volume=1423903.500 peak=157 ppm1=1.384 ppm2=1.597

assign ( resid 14 and name HD2
	 )
       ( resid 14 and name HG2
	 ) 2.0 0.5 0.5 volume=1311592.000 peak=158 ppm1=1.594 ppm2=1.385

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HG2
	 ) 2.3 0.7 0.7 volume=621607.000 peak=159 ppm1=1.860 ppm2=1.379

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HG2
	 ) 2.5 0.8 0.8 volume=419360.500 peak=160 ppm1=3.994 ppm2=1.378

assign ( resid 4 and name HD2#
	 )
       ( resid 4 and name HB3
	 ) 2.4 0.7 0.7 volume=586052.000 peak=161 ppm1=0.724 ppm2=1.950

assign ( resid 4 and name HD2#
	 )
       ( resid 4 and name HG
	 ) 2.2 0.6 0.6 volume=861029.000 peak=162 ppm1=0.723 ppm2=1.582

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HD2#
	 ) 2.6 0.8 0.8 volume=304609.500 peak=163 ppm1=1.958 ppm2=0.724

assign ( resid 14 and name HG2
	 )
       ( resid 14 and name HE3
	 ) 2.9 1.0 1.0 volume=177822.000 peak=164 ppm1=1.372 ppm2=2.861

assign ( resid 14 and name HE3
	 )
       ( resid 14 and name HG2
	 ) 2.7 0.9 0.9 volume=277916.000 peak=165 ppm1=2.860 ppm2=1.368

assign ( resid 9 and name HG12
	 )
       ( resid 9 and name HA
	 ) 2.8 1.0 1.0 volume=198009.500 peak=166 ppm1=1.348 ppm2=3.442

assign ( resid 9 and name HG13
	 )
       ( resid 9 and name HB
	 ) 2.5 0.8 0.8 volume=344681.000 peak=167 ppm1=0.906 ppm2=1.756

assign ( resid 9 and name HG12
	 )
       ( resid 9 and name HB
	 ) 2.3 0.7 0.7 volume=571373.500 peak=168 ppm1=1.351 ppm2=1.763

assign ( resid 9 and name HB
	 )
       ( resid 9 and name HG12
	 ) 2.4 0.7 0.7 volume=537574.500 peak=169 ppm1=1.760 ppm2=1.355

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HG12
	 ) 2.3 0.7 0.7 volume=744191.500 peak=170 ppm1=0.562 ppm2=1.350

assign ( resid 9 and name HG13
	 )
       ( resid 9 and name HG12
	 ) 2.4 0.7 0.7 volume=543036.000 peak=171 ppm1=0.905 ppm2=1.347

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HG13
	 ) 2.2 0.6 0.6 volume=1024505.000 peak=172 ppm1=0.561 ppm2=0.908

assign ( resid 9 and name HG13
	 )
       ( resid 9 and name HD1#
	 ) 2.4 0.7 0.7 volume=501448.000 peak=173 ppm1=0.917 ppm2=0.564

assign ( resid 9 and name HG12
	 )
       ( resid 9 and name HD1#
	 ) 2.6 0.8 0.8 volume=328266.500 peak=174 ppm1=1.348 ppm2=0.565

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HD1#
	 ) 2.5 0.8 0.8 volume=450321.500 peak=175 ppm1=3.441 ppm2=0.559

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HG12
	 ) 2.7 0.9 0.9 volume=306661.500 peak=176 ppm1=3.441 ppm2=1.349

assign ( resid 12 and name H
	 )
       ( resid 9 and name HA
	 ) 2.9 1.0 1.0 volume=177809.000 peak=177 ppm1=8.121 ppm2=3.444

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 3.1 1.2 1.2 volume=132287.000 peak=178 ppm1=8.202 ppm2=3.520

assign ( resid 9 and name H
	 )
       ( resid 11 and name H
	 ) 3.5 1.5 1.5 volume=59937.000 peak=179 ppm1=8.200 ppm2=7.477

assign ( resid 17 and name H
	 )
       ( resid 16 and name HA
	 ) 2.7 0.9 0.9 volume=292553.000 peak=180 ppm1=7.918 ppm2=4.168

assign ( resid 17 and name H
	 )
       ( resid 14 and name HA
	 ) 2.8 1.0 1.0 volume=239186.500 peak=181 ppm1=7.921 ppm2=3.997

assign ( resid 9 and name H
	 )
       ( resid 6 and name HA
	 ) 3.1 1.2 1.2 volume=141260.500 peak=182 ppm1=8.202 ppm2=4.227

assign ( resid 14 and name H
	 )
       ( resid 13 and name HA
	 ) 2.8 1.0 1.0 volume=241181.000 peak=183 ppm1=7.503 ppm2=3.483

assign ( resid 11 and name H
	 )
       ( resid 8 and name HA
	 ) 2.9 1.0 1.0 volume=200198.500 peak=184 ppm1=7.477 ppm2=3.515

assign ( resid 13 and name H
	 )
       ( resid 14 and name H
	 ) 2.8 1.0 1.0 volume=255101.500 peak=185 ppm1=8.302 ppm2=7.503

assign ( resid 17 and name HD22
	 )
       ( resid 17 and name HA
	 ) 3.6 1.6 1.6 volume=68881.500 peak=186 ppm1=7.426 ppm2=4.475

assign ( resid 17 and name HD21
	 )
       ( resid 17 and name HA
	 ) 2.9 1.0 1.0 volume=238977.000 peak=187 ppm1=7.210 ppm2=4.471

assign ( resid 13 and name H
	 )
       ( resid 10 and name HA
	 ) 2.9 1.1 1.1 volume=181177.500 peak=188 ppm1=8.302 ppm2=3.805

assign ( resid 13 and name H
	 )
       ( resid 15 and name H
	 ) 3.2 1.3 1.3 volume=89335.500 peak=189 ppm1=8.302 ppm2=7.817

assign ( resid 13 and name H
	 )
       ( resid 12 and name H
	 ) 2.9 1.0 1.0 volume=197125.000 peak=190 ppm1=8.302 ppm2=8.120

assign ( resid 9 and name H
	 )
       ( resid 5 and name HA
	 ) 3.3 1.4 1.4 volume=89368.500 peak=191 ppm1=8.201 ppm2=4.101

assign ( resid 9 and name H
	 )
       ( resid 7 and name HA
	 ) 3.6 1.6 1.6 volume=59978.500 peak=192 ppm1=8.203 ppm2=3.898

assign ( resid 8 and name H
	 )
       ( resid 7 and name HA
	 ) 3.1 1.2 1.2 volume=115578.500 peak=193 ppm1=8.079 ppm2=3.897

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 3.0 1.1 1.1 volume=156242.500 peak=194 ppm1=8.117 ppm2=4.002

assign ( resid 12 and name H
	 )
       ( resid 11 and name H
	 ) 2.8 1.0 1.0 volume=225507.000 peak=195 ppm1=8.119 ppm2=7.479

assign ( resid 8 and name H
	 )
       ( resid 6 and name HA
	 ) 3.6 1.7 1.7 volume=43092.000 peak=196 ppm1=8.081 ppm2=4.227

assign ( resid 8 and name H
	 )
       ( resid 5 and name HA
	 ) 3.1 1.2 1.2 volume=111150.500 peak=197 ppm1=8.082 ppm2=4.102

assign ( resid 16 and name H
	 )
       ( resid 15 and name HA
	 ) 2.8 1.0 1.0 volume=204678.500 peak=198 ppm1=7.874 ppm2=3.956

assign ( resid 11 and name H
	 )
       ( resid 10 and name HA
	 ) 2.9 1.1 1.1 volume=179007.000 peak=199 ppm1=7.477 ppm2=3.805

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 3.2 1.3 1.3 volume=100881.500 peak=200 ppm1=8.360 ppm2=4.104

assign ( resid 16 and name HD#
	 )
       ( resid 16 and name HA
	 ) 2.4 0.7 0.7 volume=666566.500 peak=201 ppm1=7.214 ppm2=4.168

assign ( resid 12 and name H
	 )
       ( resid 10 and name HA
	 ) 3.4 1.5 1.5 volume=66082.000 peak=202 ppm1=8.125 ppm2=3.804

assign ( resid 16 and name H
	 )
       ( resid 13 and name HA
	 ) 2.9 1.1 1.1 volume=166732.000 peak=203 ppm1=7.875 ppm2=3.478

assign ( resid 11 and name H
	 )
       ( resid 7 and name HA
	 ) 3.2 1.3 1.3 volume=91628.500 peak=204 ppm1=7.478 ppm2=3.898

assign ( resid 17 and name H
	 )
       ( resid 13 and name HA
	 ) 3.1 1.2 1.2 volume=124863.000 peak=205 ppm1=7.917 ppm2=3.480

assign ( resid 9 and name H
	 )
       ( resid 10 and name H
	 ) 2.9 1.0 1.0 volume=198004.500 peak=206 ppm1=8.201 ppm2=7.810

assign ( resid 6 and name H
	 )
       ( resid 7 and name H
	 ) 3.1 1.2 1.2 volume=114339.000 peak=207 ppm1=8.366 ppm2=7.821

assign ( resid 8 and name H
	 )
       ( resid 7 and name H
	 ) 3.0 1.1 1.1 volume=147824.000 peak=208 ppm1=8.084 ppm2=7.820

assign ( resid 9 and name H
	 )
       ( resid 8 and name H
	 ) 2.9 1.1 1.1 volume=186938.000 peak=209 ppm1=8.202 ppm2=8.085

assign ( resid 15 and name H
	 )
       ( resid 14 and name H
	 ) 2.6 0.8 0.8 volume=350103.500 peak=210 ppm1=7.819 ppm2=7.498

assign ( resid 7 and name H
	 )
       ( resid 6 and name HA
	 ) 3.0 1.1 1.1 volume=141899.000 peak=211 ppm1=7.823 ppm2=4.229

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 3.0 1.1 1.1 volume=141420.500 peak=212 ppm1=7.805 ppm2=3.440

assign ( resid 15 and name H
	 )
       ( resid 12 and name HA
	 ) 2.7 0.9 0.9 volume=299864.500 peak=213 ppm1=7.820 ppm2=3.506

assign ( resid 7 and name HB2
	 or resid 7 and name HB3
	 )
       ( resid 7 and name HA
	 ) 2.4 0.7 0.7 volume=476247.000 peak=214 ppm1=1.793 ppm2=3.897

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HB2
	 or resid 7 and name HB3
	 ) 2.3 0.7 0.7 volume=642810.500 peak=215 ppm1=3.892 ppm2=1.794

assign ( resid 12 and name H
	 )
       ( resid 13 and name H
	 ) 2.8 1.0 1.0 volume=203861.000 peak=216 ppm1=8.120 ppm2=8.301

assign ( resid 8 and name H
	 )
       ( resid 9 and name H
	 ) 2.9 1.0 1.0 volume=162252.000 peak=217 ppm1=8.085 ppm2=8.202

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.1 1.2 1.2 volume=120422.500 peak=218 ppm1=7.821 ppm2=8.366

assign ( resid 15 and name H
	 )
       ( resid 13 and name H
	 ) 3.1 1.2 1.2 volume=122299.000 peak=219 ppm1=7.819 ppm2=8.301

assign ( resid 10 and name H
	 )
       ( resid 9 and name H
	 ) 2.8 1.0 1.0 volume=203917.000 peak=220 ppm1=7.807 ppm2=8.202

assign ( resid 7 and name H
	 )
       ( resid 8 and name H
	 ) 2.8 1.0 1.0 volume=200235.000 peak=221 ppm1=7.819 ppm2=8.085

assign ( resid 14 and name H
	 )
       ( resid 13 and name H
	 ) 2.7 0.9 0.9 volume=281647.500 peak=222 ppm1=7.503 ppm2=8.301

assign ( resid 11 and name H
	 )
       ( resid 12 and name H
	 ) 2.7 0.9 0.9 volume=292916.500 peak=223 ppm1=7.477 ppm2=8.118

assign ( resid 14 and name H
	 )
       ( resid 15 and name H
	 ) 2.6 0.8 0.8 volume=350483.500 peak=224 ppm1=7.502 ppm2=7.821

assign ( resid 6 and name H
	 )
       ( resid 5 and name HB3
	 ) 2.6 0.9 0.9 volume=309306.000 peak=225 ppm1=8.363 ppm2=3.083

assign ( resid 8 and name H
	 )
       ( resid 7 and name HD3
	 ) 3.2 1.3 1.3 volume=102537.000 peak=226 ppm1=8.075 ppm2=3.085

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB3
	 ) 2.7 0.9 0.9 volume=275934.500 peak=227 ppm1=7.920 ppm2=3.114

assign ( resid 7 and name H
	 )
       ( resid 7 and name HD3
	 or resid 7 and name HD2
	 ) 2.7 0.9 0.9 volume=260885.500 peak=228 ppm1=7.820 ppm2=3.087

assign ( resid 7 and name H
	 )
       ( resid 5 and name HA
	 ) 3.4 1.5 1.5 volume=59817.000 peak=229 ppm1=7.818 ppm2=4.101

assign ( resid 11 and name H
	 )
       ( resid 9 and name HA
	 ) 3.1 1.2 1.2 volume=106495.500 peak=230 ppm1=7.477 ppm2=3.442

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB2
	 ) 2.7 0.9 0.9 volume=277798.000 peak=231 ppm1=7.918 ppm2=2.876

assign ( resid 13 and name H
	 )
       ( resid 12 and name HB
	 ) 2.8 1.0 1.0 volume=250336.500 peak=232 ppm1=8.301 ppm2=2.144

assign ( resid 9 and name H
	 )
       ( resid 8 and name HB
	 ) 2.8 1.0 1.0 volume=250366.500 peak=233 ppm1=8.203 ppm2=1.907

assign ( resid 14 and name H
	 )
       ( resid 13 and name HB
	 ) 2.7 0.9 0.9 volume=303610.500 peak=234 ppm1=7.504 ppm2=2.034

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HD3
	 or resid 7 and name HD2
	 ) 2.7 0.9 0.9 volume=270407.000 peak=235 ppm1=3.898 ppm2=3.090

assign ( resid 7 and name HG2
	 )
       ( resid 7 and name HD3
	 or resid 7 and name HD2
	 ) 2.4 0.7 0.7 volume=457074.000 peak=236 ppm1=1.512 ppm2=3.093

assign ( resid 7 and name HB2
	 )
       ( resid 7 and name HD3
	 or resid 7 and name HD2
	 ) 2.3 0.7 0.7 volume=626262.000 peak=237 ppm1=1.793 ppm2=3.087

assign ( resid 7 and name HD3
	 or resid 7 and name HD2
	 )
       ( resid 7 and name HG2
	 ) 2.3 0.7 0.7 volume=705508.000 peak=238 ppm1=3.091 ppm2=1.519

assign ( resid 7 and name HD2
	 )
       ( resid 7 and name HG3
	 ) 2.3 0.7 0.7 volume=705508.000 peak=238 ppm1=3.091 ppm2=1.519

assign ( resid 7 and name HD3
	 or resid 7 and name HD2
	 )
       ( resid 7 and name HB2
	 ) 2.2 0.6 0.6 volume=942584.500 peak=239 ppm1=3.087 ppm2=1.793

assign ( resid 13 and name H
	 )
       ( resid 13 and name HG2#
	 ) 2.3 0.6 0.6 volume=899179.000 peak=240 ppm1=8.303 ppm2=0.937

assign ( resid 14 and name H
	 )
       ( resid 13 and name HG2#
	 ) 2.6 0.8 0.8 volume=375370.500 peak=241 ppm1=7.502 ppm2=0.938

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB3
	 ) 2.9 1.1 1.1 volume=177195.000 peak=242 ppm1=7.820 ppm2=2.694

assign ( resid 15 and name H
	 )
       ( resid 12 and name HG2#
	 ) 2.8 1.0 1.0 volume=230672.000 peak=243 ppm1=7.821 ppm2=0.854

assign ( resid 17 and name H
	 )
       ( resid 13 and name HG2#
	 ) 3.4 1.4 1.4 volume=80477.500 peak=244 ppm1=7.922 ppm2=0.938

assign ( resid 17 and name H
	 )
       ( resid 13 and name HG1#
	 ) 3.1 1.2 1.2 volume=131471.000 peak=245 ppm1=7.919 ppm2=0.859

assign ( resid 16 and name H
	 )
       ( resid 12 and name HG2#
	 ) 3.0 1.2 1.2 volume=123940.500 peak=246 ppm1=7.874 ppm2=0.853

assign ( resid 14 and name H
	 )
       ( resid 15 and name HG
	 ) 3.1 1.2 1.2 volume=128585.500 peak=247 ppm1=7.503 ppm2=1.325

assign ( resid 16 and name H
	 )
       ( resid 15 and name HG
	 ) 2.8 1.0 1.0 volume=190902.500 peak=248 ppm1=7.871 ppm2=1.317

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB3
	 ) 2.8 1.0 1.0 volume=228011.500 peak=249 ppm1=8.366 ppm2=2.691

assign ( resid 14 and name H
	 )
       ( resid 16 and name HB2
	 ) 3.5 1.5 1.5 volume=66991.500 peak=250 ppm1=7.502 ppm2=2.868

assign ( resid 17 and name HD22
	 )
       ( resid 17 and name HB3
	 ) 3.0 1.1 1.1 volume=198281.000 peak=251 ppm1=7.426 ppm2=2.734

assign ( resid 17 and name HD22
	 )
       ( resid 17 and name HB2
	 ) 2.9 1.1 1.1 volume=207526.000 peak=252 ppm1=7.425 ppm2=2.695

assign ( resid 17 and name HD22
	 )
       ( resid 13 and name HA
	 ) 3.6 1.6 1.6 volume=61027.000 peak=253 ppm1=7.428 ppm2=3.479

assign ( resid 17 and name HD22
	 )
       ( resid 13 and name HG1#
	 ) 2.9 1.0 1.0 volume=231221.500 peak=254 ppm1=7.424 ppm2=0.861

assign ( resid 10 and name HA
	 )
       ( resid 13 and name HB
	 ) 2.7 0.9 0.9 volume=313633.000 peak=255 ppm1=3.804 ppm2=2.036

assign ( resid 10 and name HA
	 )
       ( resid 12 and name HB
	 ) 3.6 1.6 1.6 volume=47834.500 peak=256 ppm1=3.804 ppm2=2.145

assign ( resid 12 and name HB
	 )
       ( resid 10 and name HA
	 ) 3.6 1.6 1.6 volume=46976.000 peak=257 ppm1=2.147 ppm2=3.801

assign ( resid 13 and name HB
	 )
       ( resid 10 and name HA
	 ) 2.7 0.9 0.9 volume=235973.500 peak=258 ppm1=2.034 ppm2=3.805

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HD1#
	 ) 3.4 1.4 1.4 volume=78582.000 peak=259 ppm1=4.225 ppm2=0.564

assign ( resid 13 and name HG2#
	 )
       ( resid 14 and name HA
	 ) 2.7 0.9 0.9 volume=302116.000 peak=260 ppm1=0.936 ppm2=3.999

assign ( resid 9 and name HD1#
	 )
       ( resid 6 and name HA
	 ) 2.7 0.9 0.9 volume=322428.500 peak=261 ppm1=0.564 ppm2=4.225

assign ( resid 9 and name HG12
	 )
       ( resid 6 and name HA
	 ) 3.3 1.4 1.4 volume=76062.500 peak=262 ppm1=1.349 ppm2=4.224

assign ( resid 10 and name HA
	 )
       ( resid 14 and name HG2
	 ) 3.5 1.5 1.5 volume=66139.000 peak=263 ppm1=3.804 ppm2=1.371

assign ( resid 14 and name HG2
	 )
       ( resid 10 and name HA
	 ) 3.6 1.6 1.6 volume=56704.500 peak=264 ppm1=1.379 ppm2=3.803

assign ( resid 9 and name HD1#
	 )
       ( resid 12 and name HB
	 ) 3.3 1.3 1.3 volume=102294.000 peak=265 ppm1=0.561 ppm2=2.145

assign ( resid 12 and name HB
	 )
       ( resid 9 and name HD1#
	 ) 3.7 1.7 1.7 volume=41994.500 peak=266 ppm1=2.144 ppm2=0.561

assign ( resid 6 and name HB3
	 )
       ( resid 7 and name HA
	 ) 3.1 1.2 1.2 volume=126362.500 peak=267 ppm1=2.698 ppm2=3.891

assign ( resid 7 and name HA
	 )
       ( resid 6 and name HB3
	 ) 3.2 1.3 1.3 volume=94134.500 peak=268 ppm1=3.894 ppm2=2.689

assign ( resid 16 and name HB2
	 )
       ( resid 13 and name HA
	 ) 2.9 1.0 1.0 volume=178399.500 peak=269 ppm1=2.879 ppm2=3.472

assign ( resid 16 and name HB3
	 )
       ( resid 13 and name HA
	 ) 2.8 1.0 1.0 volume=214974.000 peak=270 ppm1=3.105 ppm2=3.472

assign ( resid 13 and name HA
	 )
       ( resid 16 and name HB3
	 ) 2.8 1.0 1.0 volume=216507.000 peak=271 ppm1=3.475 ppm2=3.106

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB2
	 ) 2.9 1.1 1.1 volume=168222.000 peak=272 ppm1=7.820 ppm2=2.772

assign ( resid 13 and name H
	 )
       ( resid 14 and name HB3
	 ) 3.0 1.1 1.1 volume=151181.500 peak=273 ppm1=8.303 ppm2=1.852

assign ( resid 5 and name HB2
	 )
       ( resid 2 and name HA
	 ) 2.7 0.9 0.9 volume=305584.500 peak=274 ppm1=3.084 ppm2=4.285

assign ( resid 2 and name HA
	 )
       ( resid 5 and name HB2
	 ) 3.5 1.5 1.5 volume=66058.500 peak=275 ppm1=4.286 ppm2=3.080

assign ( resid 4 and name HD1#
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 2.7 0.9 0.9 volume=283262.000 peak=276 ppm1=0.723 ppm2=3.084

assign ( resid 12 and name HB
	 )
       ( resid 8 and name HG2#
	 ) 2.8 1.0 1.0 volume=186434.000 peak=277 ppm1=2.144 ppm2=0.731

assign ( resid 13 and name HB
	 )
       ( resid 9 and name HG2#
	 ) 2.9 1.1 1.1 volume=153290.500 peak=278 ppm1=2.025 ppm2=0.727

assign ( resid 9 and name HG2#
	 )
       ( resid 13 and name HB
	 ) 2.8 1.0 1.0 volume=234612.000 peak=279 ppm1=0.727 ppm2=2.024

assign ( resid 8 and name HG2#
	 )
       ( resid 12 and name HB
	 ) 2.7 0.9 0.9 volume=303023.000 peak=280 ppm1=0.727 ppm2=2.146

assign ( resid 5 and name HD#
	 )
       ( resid 5 and name HA
	 ) 2.4 0.7 0.7 volume=544193.500 peak=281 ppm1=7.090 ppm2=4.104

assign ( resid 5 and name HD#
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 2.4 0.7 0.7 volume=671543.500 peak=282 ppm1=7.090 ppm2=3.088

assign ( resid 9 and name HD1#
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 3.0 1.1 1.1 volume=161075.000 peak=283 ppm1=0.563 ppm2=3.087

assign ( resid 15 and name HG
	 )
       ( resid 16 and name HA
	 ) 3.4 1.5 1.5 volume=67075.500 peak=284 ppm1=1.324 ppm2=4.171

assign ( resid 8 and name HB
	 )
       ( resid 5 and name HA
	 ) 2.8 1.0 1.0 volume=194663.500 peak=285 ppm1=1.901 ppm2=4.105

assign ( resid 5 and name HA
	 )
       ( resid 8 and name HB
	 ) 3.1 1.2 1.2 volume=134213.000 peak=286 ppm1=4.105 ppm2=1.904

assign ( resid 7 and name HD2
	 )
       ( resid 4 and name HA
	 ) 2.7 0.9 0.9 volume=279188.000 peak=287 ppm1=3.092 ppm2=3.976

assign ( resid 4 and name HA
	 )
       ( resid 7 and name HD2
	 ) 2.9 1.1 1.1 volume=169011.500 peak=288 ppm1=3.977 ppm2=3.092

assign ( resid 2 and name HB3
	 )
       ( resid 5 and name HB3
	 or resid 5 and name HB2
	 ) 3.0 1.1 1.1 volume=152851.000 peak=289 ppm1=2.021 ppm2=3.088

assign ( resid 10 and name HD3
	 )
       ( resid 13 and name HB
	 ) 2.9 1.1 1.1 volume=155976.500 peak=290 ppm1=3.080 ppm2=2.026

assign ( resid 9 and name HD1#
	 )
       ( resid 8 and name HB
	 ) 3.1 1.2 1.2 volume=127981.000 peak=291 ppm1=0.563 ppm2=1.903

assign ( resid 8 and name HB
	 )
       ( resid 9 and name HD1#
	 ) 3.3 1.4 1.4 volume=65229.000 peak=292 ppm1=1.902 ppm2=0.563

assign ( resid 14 and name HE2
	 )
       ( resid 14 and name HG3
	 ) 3.1 1.2 1.2 volume=97305.000 peak=293 ppm1=2.774 ppm2=1.484

assign ( resid 6 and name HB2
	 )
       ( resid 7 and name HA
	 ) 3.0 1.2 1.2 volume=118342.500 peak=294 ppm1=2.769 ppm2=3.894

assign ( resid 7 and name HA
	 )
       ( resid 6 and name HB2
	 ) 3.2 1.3 1.3 volume=90929.000 peak=295 ppm1=3.894 ppm2=2.773

assign ( resid 13 and name HG2#
	 )
       ( resid 10 and name HA
	 ) 2.5 0.8 0.8 volume=511519.000 peak=296 ppm1=0.940 ppm2=3.803

assign ( resid 13 and name HG1#
	 )
       ( resid 10 and name HA
	 ) 2.7 0.9 0.9 volume=292347.000 peak=297 ppm1=0.866 ppm2=3.803

assign ( resid 10 and name HA
	 )
       ( resid 13 and name HG2#
	 ) 2.5 0.8 0.8 volume=434415.000 peak=298 ppm1=3.804 ppm2=0.941

assign ( resid 10 and name HA
	 )
       ( resid 13 and name HG1#
	 ) 2.7 0.9 0.9 volume=276900.500 peak=299 ppm1=3.803 ppm2=0.865

assign ( resid 9 and name HG12
	 )
       ( resid 9 and name HG13
	 ) 2.3 0.7 0.7 volume=592242.500 peak=300 ppm1=1.347 ppm2=0.907

assign ( resid 9 and name HB
	 )
       ( resid 9 and name HG13
	 ) 2.4 0.7 0.7 volume=488684.500 peak=301 ppm1=1.758 ppm2=0.905

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD1#
	 ) 2.9 1.0 1.0 volume=203776.500 peak=302 ppm1=8.202 ppm2=0.565

assign ( resid 9 and name H
	 )
       ( resid 9 and name HG12
	 ) 2.8 1.0 1.0 volume=237919.000 peak=303 ppm1=8.200 ppm2=1.350

assign ( resid 9 and name H
	 )
       ( resid 9 and name HG13
	 ) 2.7 0.9 0.9 volume=286370.000 peak=304 ppm1=8.201 ppm2=0.896

assign ( resid 10 and name H
	 )
       ( resid 10 and name HD2
	 ) 3.1 1.2 1.2 volume=106262.000 peak=305 ppm1=7.804 ppm2=3.040

assign ( resid 10 and name H
	 )
       ( resid 10 and name HD3
	 ) 2.7 0.9 0.9 volume=233670.500 peak=306 ppm1=7.806 ppm2=3.087

assign ( resid 6 and name H
	 )
       ( resid 8 and name H
	 ) 3.6 1.6 1.6 volume=44321.000 peak=307 ppm1=8.367 ppm2=8.072

assign ( resid 8 and name H
	 )
       ( resid 6 and name H
	 ) 3.7 1.7 1.7 volume=35797.000 peak=308 ppm1=8.071 ppm2=8.368

assign ( resid 17 and name H
	 )
       ( resid 17 and name HD22
	 ) 3.5 1.6 1.6 volume=67791.500 peak=309 ppm1=7.922 ppm2=7.426

assign ( resid 11 and name H
	 )
       ( resid 9 and name H
	 ) 3.3 1.4 1.4 volume=81728.000 peak=310 ppm1=7.474 ppm2=8.199

assign ( resid 17 and name HD22
	 )
       ( resid 17 and name H
	 ) 3.4 1.5 1.5 volume=83352.000 peak=311 ppm1=7.424 ppm2=7.914

assign ( resid 4 and name H
	 )
       ( resid 3 and name HA2
	 ) 3.6 1.6 1.6 volume=42601.500 peak=312 ppm1=8.025 ppm2=4.100

assign ( resid 5 and name H
	 )
       ( resid 4 and name HG
	 ) 2.9 1.0 1.0 volume=159009.000 peak=313 ppm1=8.281 ppm2=1.590

assign ( resid 9 and name H
	 )
       ( resid 10 and name HD2
	 or resid 10 and name HD3
	 ) 3.2 1.3 1.3 volume=94311.000 peak=314 ppm1=8.207 ppm2=3.083

assign ( resid 8 and name H
	 )
       ( resid 7 and name HG2
	 or resid 7 and name HG3
	 ) 3.3 1.3 1.3 volume=78511.000 peak=315 ppm1=8.068 ppm2=1.514

assign ( resid 16 and name H
	 )
       ( resid 13 and name HB
	 ) 3.6 1.7 1.7 volume=39141.000 peak=316 ppm1=7.865 ppm2=2.034

assign ( resid 13 and name H
	 )
       ( resid 11 and name HA
	 ) 3.1 1.2 1.2 volume=133467.000 peak=317 ppm1=8.300 ppm2=3.995

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H1       LEU   1  17.402  -1.987   4.221
    2    H2   LEU   1           H2       LEU   1  16.465  -3.391   4.205
    3    H3   LEU   1           H3       LEU   1  15.763  -1.911   4.621
    4    HA   LEU   1           HA       LEU   1  16.175  -1.070   2.399
    5    HB2  LEU   1           HB2      LEU   1  17.098  -3.906   1.895
    6    HB3  LEU   1           HB3      LEU   1  16.718  -2.756   0.633
    7    HG   LEU   1           HG       LEU   1  18.545  -1.288   1.724
    8   HD11  LEU   1          HD11      LEU   1  19.330  -3.996   2.785
    9   HD12  LEU   1          HD12      LEU   1  18.837  -2.609   3.753
   10   HD13  LEU   1          HD13      LEU   1  20.328  -2.545   2.816
   11   HD21  LEU   1          HD21      LEU   1  18.708  -2.297  -0.483
   12   HD22  LEU   1          HD22      LEU   1  19.248  -3.811   0.240
   13   HD23  LEU   1          HD23      LEU   1  20.254  -2.367   0.361
   14    H    MET   2           H        MET   2  14.772  -1.809   0.473
   15    HA   MET   2           HA       MET   2  12.767  -2.434  -0.371
   16    HB2  MET   2           HB2      MET   2  12.812  -4.446   1.880
   17    HB3  MET   2           HB3      MET   2  11.544  -4.371   0.668
   18    HG2  MET   2           HG2      MET   2  14.459  -4.818   0.085
   19    HG3  MET   2           HG3      MET   2  13.242  -6.087   0.200
   20    HE1  MET   2           HE1      MET   2  10.946  -5.352  -2.859
   21    HE2  MET   2           HE2      MET   2  10.714  -4.806  -1.198
   22    HE3  MET   2           HE3      MET   2  11.294  -6.441  -1.516
   23    H    GLY   3           H        GLY   3  13.211  -0.735   2.291
   24    HA2  GLY   3           HA2      GLY   3  10.725  -0.689   3.624
   25    HA3  GLY   3           HA3      GLY   3  11.897   0.623   3.600
   26    H    LEU   4           H        LEU   4  11.917   0.947   0.781
   27    HA   LEU   4           HA       LEU   4   9.914   2.799   0.263
   28    HB2  LEU   4           HB2      LEU   4  10.936   1.044  -1.931
   29    HB3  LEU   4           HB3      LEU   4  10.564   2.753  -1.975
   30    HG   LEU   4           HG       LEU   4  12.792   2.081  -0.207
   31   HD11  LEU   4          HD11      LEU   4  12.949   0.394  -2.079
   32   HD12  LEU   4          HD12      LEU   4  14.338   1.477  -1.900
   33   HD13  LEU   4          HD13      LEU   4  13.153   1.765  -3.176
   34   HD21  LEU   4          HD21      LEU   4  13.759   4.007  -1.291
   35   HD22  LEU   4          HD22      LEU   4  12.085   4.354  -0.843
   36   HD23  LEU   4          HD23      LEU   4  12.491   3.983  -2.518
   37    H    PHE   5           H        PHE   5  10.203  -0.546  -0.714
   38    HA   PHE   5           HA       PHE   5   7.764  -0.663  -2.124
   39    HB2  PHE   5           HB2      PHE   5   9.897  -2.061  -2.431
   40    HB3  PHE   5           HB3      PHE   5   9.302  -3.023  -1.075
   41    HD1  PHE   5           HD1      PHE   5   8.167  -4.929  -1.588
   42    HD2  PHE   5           HD2      PHE   5   7.941  -1.627  -4.258
   43    HE1  PHE   5           HE1      PHE   5   6.733  -6.249  -3.088
   44    HE2  PHE   5           HE2      PHE   5   6.511  -2.942  -5.767
   45    HZ   PHE   5           HZ       PHE   5   5.903  -5.255  -5.182
   46    H    ASN   6           H        ASN   6   8.781  -1.759   1.101
   47    HA   ASN   6           HA       ASN   6   6.409  -3.080   1.834
   48    HB2  ASN   6           HB2      ASN   6   8.424  -1.591   3.508
   49    HB3  ASN   6           HB3      ASN   6   7.052  -2.431   4.207
   50   HD21  ASN   6          HD21      ASN   6   8.639  -3.718   1.393
   51   HD22  ASN   6          HD22      ASN   6   9.386  -5.057   2.189
   52    H    ARG   7           H        ARG   7   7.322   0.304   1.904
   53    HA   ARG   7           HA       ARG   7   5.067   1.173   3.341
   54    HB2  ARG   7           HB2      ARG   7   6.838   2.674   3.409
   55    HB3  ARG   7           HB3      ARG   7   7.204   2.477   1.706
   56    HG2  ARG   7           HG2      ARG   7   4.654   3.794   2.498
   57    HG3  ARG   7           HG3      ARG   7   6.169   4.695   2.593
   58    HD2  ARG   7           HD2      ARG   7   6.614   4.201   0.245
   59    HD3  ARG   7           HD3      ARG   7   5.118   3.271   0.155
   60    HE   ARG   7           HE       ARG   7   4.286   5.715   0.991
   61   HH11  ARG   7          HH11      ARG   7   6.248   4.652  -1.708
   62   HH12  ARG   7          HH12      ARG   7   5.731   5.934  -2.750
   63   HH21  ARG   7          HH21      ARG   7   3.612   7.412  -0.376
   64   HH22  ARG   7          HH22      ARG   7   4.236   7.509  -1.996
   65    H    ILE   8           H        ILE   8   5.844   0.760  -0.056
   66    HA   ILE   8           HA       ILE   8   3.503   1.882  -1.156
   67    HB   ILE   8           HB       ILE   8   5.290  -0.296  -2.258
   68   HG12  ILE   8          HG12      ILE   8   5.196   2.677  -2.822
   69   HG13  ILE   8          HG13      ILE   8   6.413   1.864  -1.845
   70   HG21  ILE   8          HG21      ILE   8   4.312   0.194  -4.432
   71   HG22  ILE   8          HG22      ILE   8   3.235   1.380  -3.697
   72   HG23  ILE   8          HG23      ILE   8   3.064  -0.330  -3.298
   73   HD11  ILE   8          HD11      ILE   8   7.145   0.609  -3.803
   74   HD12  ILE   8          HD12      ILE   8   7.242   2.350  -4.071
   75   HD13  ILE   8          HD13      ILE   8   5.921   1.420  -4.780
   76    H    ILE   9           H        ILE   9   4.255  -1.327   0.086
   77    HA   ILE   9           HA       ILE   9   2.036  -2.732  -0.838
   78    HB   ILE   9           HB       ILE   9   3.281  -3.112   1.884
   79   HG12  ILE   9          HG12      ILE   9   5.081  -3.081   0.284
   80   HG13  ILE   9          HG13      ILE   9   4.791  -4.745   0.777
   81   HG21  ILE   9          HG21      ILE   9   2.607  -5.429   1.642
   82   HG22  ILE   9          HG22      ILE   9   1.934  -5.081   0.051
   83   HG23  ILE   9          HG23      ILE   9   1.213  -4.360   1.489
   84   HD11  ILE   9          HD11      ILE   9   3.837  -3.477  -1.771
   85   HD12  ILE   9          HD12      ILE   9   3.589  -5.153  -1.286
   86   HD13  ILE   9          HD13      ILE   9   5.221  -4.559  -1.604
   87    H    ARG  10           H        ARG  10   2.379  -0.588   1.924
   88    HA   ARG  10           HA       ARG  10  -0.316  -1.090   2.834
   89    HB2  ARG  10           HB2      ARG  10   1.925   0.653   3.766
   90    HB3  ARG  10           HB3      ARG  10   0.296   0.969   4.348
   91    HG2  ARG  10           HG2      ARG  10   1.463  -0.401   5.931
   92    HG3  ARG  10           HG3      ARG  10   0.205  -1.373   5.159
   93    HD2  ARG  10           HD2      ARG  10   1.961  -2.140   3.547
   94    HD3  ARG  10           HD3      ARG  10   3.154  -1.377   4.595
   95    HE   ARG  10           HE       ARG  10   1.480  -3.173   6.045
   96   HH11  ARG  10          HH11      ARG  10   4.245  -2.991   3.919
   97   HH12  ARG  10          HH12      ARG  10   4.907  -4.514   4.425
   98   HH21  ARG  10          HH21      ARG  10   2.356  -5.176   6.744
   99   HH22  ARG  10          HH22      ARG  10   3.842  -5.745   6.051
  100    H    LYS  11           H        LYS  11   1.341   1.183   0.822
  101    HA   LYS  11           HA       LYS  11  -0.728   3.157   0.806
  102    HB2  LYS  11           HB2      LYS  11   1.558   3.754   0.182
  103    HB3  LYS  11           HB3      LYS  11   1.514   2.616  -1.156
  104    HG2  LYS  11           HG2      LYS  11   1.240   4.945  -1.878
  105    HG3  LYS  11           HG3      LYS  11  -0.144   3.939  -2.294
  106    HD2  LYS  11           HD2      LYS  11  -0.880   6.100  -1.470
  107    HD3  LYS  11           HD3      LYS  11  -1.356   4.826  -0.350
  108    HE2  LYS  11           HE2      LYS  11   0.472   5.388   1.127
  109    HE3  LYS  11           HE3      LYS  11   1.078   6.575  -0.028
  110    HZ1  LYS  11           HZ1      LYS  11  -0.949   7.846   0.266
  111    HZ2  LYS  11           HZ2      LYS  11  -0.173   7.624   1.752
  112    HZ3  LYS  11           HZ3      LYS  11  -1.540   6.708   1.371
  113    H    VAL  12           H        VAL  12   0.078   0.325  -1.090
  114    HA   VAL  12           HA       VAL  12  -2.117   0.665  -2.908
  115    HB   VAL  12           HB       VAL  12  -0.364  -1.737  -2.364
  116   HG11  VAL  12          HG11      VAL  12  -1.306  -2.715  -4.366
  117   HG12  VAL  12          HG12      VAL  12  -2.294  -1.278  -4.640
  118   HG13  VAL  12          HG13      VAL  12  -2.617  -2.311  -3.250
  119   HG21  VAL  12          HG21      VAL  12   0.831   0.170  -3.321
  120   HG22  VAL  12          HG22      VAL  12  -0.353   0.269  -4.625
  121   HG23  VAL  12          HG23      VAL  12   0.695  -1.143  -4.489
  122    H    VAL  13           H        VAL  13  -1.642  -0.790   0.212
  123    HA   VAL  13           HA       VAL  13  -3.847  -2.568   0.110
  124    HB   VAL  13           HB       VAL  13  -1.760  -2.109   1.867
  125   HG11  VAL  13          HG11      VAL  13  -4.326  -1.422   3.289
  126   HG12  VAL  13          HG12      VAL  13  -2.959  -0.341   3.016
  127   HG13  VAL  13          HG13      VAL  13  -2.775  -1.749   4.061
  128   HG21  VAL  13          HG21      VAL  13  -4.215  -3.803   2.203
  129   HG22  VAL  13          HG22      VAL  13  -2.712  -4.002   3.104
  130   HG23  VAL  13          HG23      VAL  13  -2.730  -4.230   1.354
  131    H    LYS  14           H        LYS  14  -3.352   0.744   0.667
  132    HA   LYS  14           HA       LYS  14  -5.795   1.477   1.832
  133    HB2  LYS  14           HB2      LYS  14  -3.772   2.900   0.124
  134    HB3  LYS  14           HB3      LYS  14  -5.190   3.727   0.770
  135    HG2  LYS  14           HG2      LYS  14  -3.037   2.367   2.384
  136    HG3  LYS  14           HG3      LYS  14  -3.194   4.104   2.136
  137    HD2  LYS  14           HD2      LYS  14  -5.283   2.376   3.455
  138    HD3  LYS  14           HD3      LYS  14  -4.063   3.303   4.327
  139    HE2  LYS  14           HE2      LYS  14  -6.074   4.484   2.425
  140    HE3  LYS  14           HE3      LYS  14  -6.268   4.437   4.175
  141    HZ1  LYS  14           HZ1      LYS  14  -4.062   5.806   2.728
  142    HZ2  LYS  14           HZ2      LYS  14  -4.283   5.784   4.403
  143    HZ3  LYS  14           HZ3      LYS  14  -5.406   6.569   3.415
  144    H    LEU  15           H        LEU  15  -4.791   0.985  -1.553
  145    HA   LEU  15           HA       LEU  15  -7.443   1.789  -2.450
  146    HB2  LEU  15           HB2      LEU  15  -6.566   1.596  -4.687
  147    HB3  LEU  15           HB3      LEU  15  -5.462   2.519  -3.689
  148    HG   LEU  15           HG       LEU  15  -4.252   0.181  -3.442
  149   HD11  LEU  15          HD11      LEU  15  -5.653  -0.066  -6.097
  150   HD12  LEU  15          HD12      LEU  15  -5.897  -1.100  -4.689
  151   HD13  LEU  15          HD13      LEU  15  -4.343  -1.096  -5.524
  152   HD21  LEU  15          HD21      LEU  15  -4.053   1.938  -5.883
  153   HD22  LEU  15          HD22      LEU  15  -2.817   0.814  -5.316
  154   HD23  LEU  15          HD23      LEU  15  -3.255   2.212  -4.333
  155    H    PHE  16           H        PHE  16  -5.723  -0.990  -1.555
  156    HA   PHE  16           HA       PHE  16  -7.235  -2.923  -3.024
  157    HB2  PHE  16           HB2      PHE  16  -4.936  -3.251  -2.007
  158    HB3  PHE  16           HB3      PHE  16  -5.722  -3.320  -0.439
  159    HD1  PHE  16           HD1      PHE  16  -5.412  -5.014  -3.698
  160    HD2  PHE  16           HD2      PHE  16  -6.809  -5.275   0.311
  161    HE1  PHE  16           HE1      PHE  16  -5.792  -7.427  -3.988
  162    HE2  PHE  16           HE2      PHE  16  -7.194  -7.686   0.027
  163    HZ   PHE  16           HZ       PHE  16  -6.683  -8.763  -2.127
  164    H    ASN  17           H        ASN  17  -7.324  -1.583   0.234
  165    HA   ASN  17           HA       ASN  17  -9.776  -3.036   0.852
  166    HB2  ASN  17           HB2      ASN  17  -7.943  -1.276   2.476
  167    HB3  ASN  17           HB3      ASN  17  -9.515  -1.779   3.083
  168   HD21  ASN  17          HD21      ASN  17  -7.654  -3.872   1.045
  169   HD22  ASN  17          HD22      ASN  17  -7.213  -5.013   2.267
  Start of MODEL    2
    1    H1   LEU   1           H1       LEU   1  17.247  -1.615  -1.627
    2    H2   LEU   1           H2       LEU   1  15.788  -0.828  -1.945
    3    H3   LEU   1           H3       LEU   1  15.901  -2.504  -2.133
    4    HA   LEU   1           HA       LEU   1  16.233  -2.804   0.212
    5    HB2  LEU   1           HB2      LEU   1  15.883   0.197   0.326
    6    HB3  LEU   1           HB3      LEU   1  15.947  -0.863   1.719
    7    HG   LEU   1           HG       LEU   1  18.201  -0.389  -0.233
    8   HD11  LEU   1          HD11      LEU   1  17.828   0.500   2.621
    9   HD12  LEU   1          HD12      LEU   1  17.780   1.533   1.194
   10   HD13  LEU   1          HD13      LEU   1  19.283   0.731   1.651
   11   HD21  LEU   1          HD21      LEU   1  18.091  -2.039   2.288
   12   HD22  LEU   1          HD22      LEU   1  19.549  -1.683   1.362
   13   HD23  LEU   1          HD23      LEU   1  18.262  -2.651   0.644
   14    H    MET   2           H        MET   2  14.421  -3.233   1.497
   15    HA   MET   2           HA       MET   2  11.981  -3.135  -0.035
   16    HB2  MET   2           HB2      MET   2  11.069  -4.631   1.641
   17    HB3  MET   2           HB3      MET   2  12.658  -5.185   1.144
   18    HG2  MET   2           HG2      MET   2  13.624  -4.239   3.177
   19    HG3  MET   2           HG3      MET   2  12.028  -3.682   3.674
   20    HE1  MET   2           HE1      MET   2  14.379  -6.733   3.092
   21    HE2  MET   2           HE2      MET   2  13.089  -7.087   1.945
   22    HE3  MET   2           HE3      MET   2  13.308  -8.105   3.368
   23    H    GLY   3           H        GLY   3  13.383  -1.098   2.201
   24    HA2  GLY   3           HA2      GLY   3  11.267  -0.235   3.794
   25    HA3  GLY   3           HA3      GLY   3  12.617   0.766   3.293
   26    H    LEU   4           H        LEU   4  12.001   0.518   0.458
   27    HA   LEU   4           HA       LEU   4  10.050   2.614   0.204
   28    HB2  LEU   4           HB2      LEU   4  10.914   0.977  -2.126
   29    HB3  LEU   4           HB3      LEU   4  10.640   2.703  -2.020
   30    HG   LEU   4           HG       LEU   4  12.898   1.752  -0.431
   31   HD11  LEU   4          HD11      LEU   4  13.052   1.682  -3.440
   32   HD12  LEU   4          HD12      LEU   4  12.919   0.242  -2.423
   33   HD13  LEU   4          HD13      LEU   4  14.338   1.295  -2.295
   34   HD21  LEU   4          HD21      LEU   4  13.929   3.730  -1.387
   35   HD22  LEU   4          HD22      LEU   4  12.316   4.111  -0.781
   36   HD23  LEU   4          HD23      LEU   4  12.582   3.910  -2.512
   37    H    PHE   5           H        PHE   5  10.367  -0.736  -0.714
   38    HA   PHE   5           HA       PHE   5   8.004  -1.040  -2.152
   39    HB2  PHE   5           HB2      PHE   5  10.127  -2.483  -2.074
   40    HB3  PHE   5           HB3      PHE   5   9.404  -3.237  -0.649
   41    HD1  PHE   5           HD1      PHE   5   8.927  -2.670  -4.265
   42    HD2  PHE   5           HD2      PHE   5   7.734  -4.873  -0.831
   43    HE1  PHE   5           HE1      PHE   5   7.674  -4.223  -5.704
   44    HE2  PHE   5           HE2      PHE   5   6.478  -6.430  -2.261
   45    HZ   PHE   5           HZ       PHE   5   6.447  -6.106  -4.700
   46    H    ASN   6           H        ASN   6   8.761  -1.878   1.229
   47    HA   ASN   6           HA       ASN   6   6.286  -2.965   1.933
   48    HB2  ASN   6           HB2      ASN   6   8.273  -1.446   3.622
   49    HB3  ASN   6           HB3      ASN   6   6.875  -2.284   4.280
   50   HD21  ASN   6          HD21      ASN   6   9.687  -2.748   4.795
   51   HD22  ASN   6          HD22      ASN   6  10.002  -4.391   4.351
   52    H    ARG   7           H        ARG   7   7.356   0.372   1.763
   53    HA   ARG   7           HA       ARG   7   5.134   1.430   3.151
   54    HB2  ARG   7           HB2      ARG   7   7.024   2.797   3.191
   55    HB3  ARG   7           HB3      ARG   7   7.360   2.555   1.487
   56    HG2  ARG   7           HG2      ARG   7   4.893   4.016   2.271
   57    HG3  ARG   7           HG3      ARG   7   6.453   4.835   2.375
   58    HD2  ARG   7           HD2      ARG   7   6.892   4.351   0.042
   59    HD3  ARG   7           HD3      ARG   7   5.382   3.444  -0.070
   60    HE   ARG   7           HE       ARG   7   4.482   5.824   0.702
   61   HH11  ARG   7          HH11      ARG   7   6.855   5.037  -1.746
   62   HH12  ARG   7          HH12      ARG   7   6.436   6.378  -2.762
   63   HH21  ARG   7          HH21      ARG   7   3.925   7.588  -0.636
   64   HH22  ARG   7          HH22      ARG   7   4.769   7.828  -2.132
   65    H    ILE   8           H        ILE   8   5.918   0.729  -0.179
   66    HA   ILE   8           HA       ILE   8   3.627   1.926  -1.350
   67    HB   ILE   8           HB       ILE   8   5.388  -0.322  -2.343
   68   HG12  ILE   8          HG12      ILE   8   6.507   1.869  -2.069
   69   HG13  ILE   8          HG13      ILE   8   6.411   1.375  -3.755
   70   HG21  ILE   8          HG21      ILE   8   3.291   1.242  -3.845
   71   HG22  ILE   8          HG22      ILE   8   3.192  -0.460  -3.391
   72   HG23  ILE   8          HG23      ILE   8   4.408   0.074  -4.551
   73   HD11  ILE   8          HD11      ILE   8   5.941   3.728  -3.541
   74   HD12  ILE   8          HD12      ILE   8   4.653   3.396  -2.383
   75   HD13  ILE   8          HD13      ILE   8   4.489   2.871  -4.060
   76    H    ILE   9           H        ILE   9   4.290  -1.238   0.058
   77    HA   ILE   9           HA       ILE   9   2.067  -2.631  -0.899
   78    HB   ILE   9           HB       ILE   9   3.231  -2.974   1.862
   79   HG12  ILE   9          HG12      ILE   9   5.078  -3.007   0.301
   80   HG13  ILE   9          HG13      ILE   9   4.758  -4.643   0.863
   81   HG21  ILE   9          HG21      ILE   9   1.857  -4.922   0.023
   82   HG22  ILE   9          HG22      ILE   9   1.168  -4.192   1.473
   83   HG23  ILE   9          HG23      ILE   9   2.531  -5.302   1.607
   84   HD11  ILE   9          HD11      ILE   9   3.854  -3.499  -1.758
   85   HD12  ILE   9          HD12      ILE   9   3.635  -5.158  -1.205
   86   HD13  ILE   9          HD13      ILE   9   5.259  -4.538  -1.520
   87    H    ARG  10           H        ARG  10   2.471  -0.801   2.110
   88    HA   ARG  10           HA       ARG  10  -0.232  -1.105   2.878
   89    HB2  ARG  10           HB2      ARG  10   1.581   1.068   3.889
   90    HB3  ARG  10           HB3      ARG  10   0.287   0.238   4.742
   91    HG2  ARG  10           HG2      ARG  10   3.007  -0.793   4.040
   92    HG3  ARG  10           HG3      ARG  10   2.292  -0.603   5.642
   93    HD2  ARG  10           HD2      ARG  10   0.606  -2.332   4.959
   94    HD3  ARG  10           HD3      ARG  10   1.560  -2.594   3.505
   95    HE   ARG  10           HE       ARG  10   3.290  -2.859   5.657
   96   HH11  ARG  10          HH11      ARG  10   0.419  -4.460   4.455
   97   HH12  ARG  10          HH12      ARG  10   0.881  -6.020   5.053
   98   HH21  ARG  10          HH21      ARG  10   3.894  -4.920   6.459
   99   HH22  ARG  10          HH22      ARG  10   2.854  -6.282   6.188
  100    H    LYS  11           H        LYS  11   1.494   1.200   0.958
  101    HA   LYS  11           HA       LYS  11  -0.432   3.281   0.983
  102    HB2  LYS  11           HB2      LYS  11   1.877   3.626   0.197
  103    HB3  LYS  11           HB3      LYS  11   1.595   2.520  -1.138
  104    HG2  LYS  11           HG2      LYS  11   1.505   4.818  -1.891
  105    HG3  LYS  11           HG3      LYS  11  -0.074   4.050  -2.058
  106    HD2  LYS  11           HD2      LYS  11  -0.819   5.122   0.007
  107    HD3  LYS  11           HD3      LYS  11   0.765   5.870   0.199
  108    HE2  LYS  11           HE2      LYS  11   0.447   7.093  -1.890
  109    HE3  LYS  11           HE3      LYS  11  -1.124   6.326  -2.107
  110    HZ1  LYS  11           HZ1      LYS  11  -0.386   8.115   0.142
  111    HZ2  LYS  11           HZ2      LYS  11  -1.896   7.404  -0.101
  112    HZ3  LYS  11           HZ3      LYS  11  -1.322   8.557  -1.193
  113    H    VAL  12           H        VAL  12   0.165   0.529  -1.127
  114    HA   VAL  12           HA       VAL  12  -2.060   1.000  -2.843
  115    HB   VAL  12           HB       VAL  12  -0.373  -1.465  -2.379
  116   HG11  VAL  12          HG11      VAL  12  -1.332  -2.334  -4.456
  117   HG12  VAL  12          HG12      VAL  12  -2.375  -0.915  -4.579
  118   HG13  VAL  12          HG13      VAL  12  -2.597  -2.057  -3.255
  119   HG21  VAL  12          HG21      VAL  12  -0.357   0.580  -4.603
  120   HG22  VAL  12          HG22      VAL  12   0.674  -0.849  -4.502
  121   HG23  VAL  12          HG23      VAL  12   0.838   0.444  -3.314
  122    H    VAL  13           H        VAL  13  -1.680  -0.540   0.233
  123    HA   VAL  13           HA       VAL  13  -3.746  -2.453  -0.003
  124    HB   VAL  13           HB       VAL  13  -1.763  -1.892   1.831
  125   HG11  VAL  13          HG11      VAL  13  -4.408  -1.449   3.199
  126   HG12  VAL  13          HG12      VAL  13  -3.124  -0.258   2.992
  127   HG13  VAL  13          HG13      VAL  13  -2.855  -1.677   4.004
  128   HG21  VAL  13          HG21      VAL  13  -2.572  -4.066   1.222
  129   HG22  VAL  13          HG22      VAL  13  -4.082  -3.779   2.087
  130   HG23  VAL  13          HG23      VAL  13  -2.560  -3.891   2.977
  131    H    LYS  14           H        LYS  14  -3.538   0.865   0.644
  132    HA   LYS  14           HA       LYS  14  -6.026   1.324   1.837
  133    HB2  LYS  14           HB2      LYS  14  -4.111   3.005   0.258
  134    HB3  LYS  14           HB3      LYS  14  -5.569   3.675   0.975
  135    HG2  LYS  14           HG2      LYS  14  -3.346   2.330   2.390
  136    HG3  LYS  14           HG3      LYS  14  -3.583   4.074   2.255
  137    HD2  LYS  14           HD2      LYS  14  -5.353   4.070   3.689
  138    HD3  LYS  14           HD3      LYS  14  -5.785   2.393   3.296
  139    HE2  LYS  14           HE2      LYS  14  -4.274   1.524   4.644
  140    HE3  LYS  14           HE3      LYS  14  -3.143   2.831   4.326
  141    HZ1  LYS  14           HZ1      LYS  14  -4.300   4.218   5.890
  142    HZ2  LYS  14           HZ2      LYS  14  -3.977   2.752   6.666
  143    HZ3  LYS  14           HZ3      LYS  14  -5.529   3.076   6.084
  144    H    LEU  15           H        LEU  15  -5.005   1.063  -1.557
  145    HA   LEU  15           HA       LEU  15  -7.727   1.654  -2.404
  146    HB2  LEU  15           HB2      LEU  15  -6.889   1.570  -4.656
  147    HB3  LEU  15           HB3      LEU  15  -5.824   2.553  -3.675
  148    HG   LEU  15           HG       LEU  15  -4.415   0.344  -3.499
  149   HD11  LEU  15          HD11      LEU  15  -5.943  -0.086  -6.066
  150   HD12  LEU  15          HD12      LEU  15  -6.005  -1.107  -4.628
  151   HD13  LEU  15          HD13      LEU  15  -4.510  -0.982  -5.557
  152   HD21  LEU  15          HD21      LEU  15  -4.501   2.035  -5.993
  153   HD22  LEU  15          HD22      LEU  15  -3.139   1.055  -5.449
  154   HD23  LEU  15          HD23      LEU  15  -3.667   2.440  -4.493
  155    H    PHE  16           H        PHE  16  -5.722  -0.967  -1.615
  156    HA   PHE  16           HA       PHE  16  -6.984  -3.032  -3.095
  157    HB2  PHE  16           HB2      PHE  16  -4.734  -3.224  -2.079
  158    HB3  PHE  16           HB3      PHE  16  -5.465  -3.178  -0.485
  159    HD1  PHE  16           HD1      PHE  16  -5.463  -5.140  -3.639
  160    HD2  PHE  16           HD2      PHE  16  -6.110  -5.128   0.565
  161    HE1  PHE  16           HE1      PHE  16  -5.720  -7.585  -3.672
  162    HE2  PHE  16           HE2      PHE  16  -6.367  -7.571   0.536
  163    HZ   PHE  16           HZ       PHE  16  -6.171  -8.804  -1.583
  164    H    ASN  17           H        ASN  17  -7.285  -1.925   0.261
  165    HA   ASN  17           HA       ASN  17  -9.359  -3.764   0.924
  166    HB2  ASN  17           HB2      ASN  17  -8.628  -1.150   2.267
  167    HB3  ASN  17           HB3      ASN  17  -9.658  -2.398   2.952
  168   HD21  ASN  17          HD21      ASN  17  -7.973  -4.591   1.961
  169   HD22  ASN  17          HD22      ASN  17  -6.564  -4.585   2.962
  Start of MODEL    3
    1    H1   LEU   1           H1       LEU   1  14.490  -2.863   6.296
    2    H2   LEU   1           H2       LEU   1  14.517  -1.225   5.891
    3    H3   LEU   1           H3       LEU   1  15.939  -1.998   6.373
    4    HA   LEU   1           HA       LEU   1  15.920  -1.675   3.999
    5    HB2  LEU   1           HB2      LEU   1  15.724  -4.460   5.092
    6    HB3  LEU   1           HB3      LEU   1  15.941  -4.214   3.371
    7    HG   LEU   1           HG       LEU   1  18.046  -3.008   3.813
    8   HD11  LEU   1          HD11      LEU   1  17.616  -2.106   6.000
    9   HD12  LEU   1          HD12      LEU   1  19.047  -3.131   6.060
   10   HD13  LEU   1          HD13      LEU   1  17.512  -3.726   6.687
   11   HD21  LEU   1          HD21      LEU   1  17.848  -5.745   5.053
   12   HD22  LEU   1          HD22      LEU   1  19.346  -4.957   4.558
   13   HD23  LEU   1          HD23      LEU   1  18.130  -5.373   3.351
   14    H    MET   2           H        MET   2  14.948  -2.011   1.979
   15    HA   MET   2           HA       MET   2  13.230  -2.057   0.498
   16    HB2  MET   2           HB2      MET   2  12.117  -4.073   2.457
   17    HB3  MET   2           HB3      MET   2  11.398  -3.725   0.892
   18    HG2  MET   2           HG2      MET   2  14.194  -4.757   1.300
   19    HG3  MET   2           HG3      MET   2  12.795  -5.757   0.914
   20    HE1  MET   2           HE1      MET   2  13.956  -6.790  -1.189
   21    HE2  MET   2           HE2      MET   2  15.414  -5.872  -0.819
   22    HE3  MET   2           HE3      MET   2  14.743  -5.841  -2.449
   23    H    GLY   3           H        GLY   3  13.280  -0.013   2.422
   24    HA2  GLY   3           HA2      GLY   3  10.831   0.397   3.764
   25    HA3  GLY   3           HA3      GLY   3  12.001   1.643   3.361
   26    H    LEU   4           H        LEU   4  11.800   0.980   0.495
   27    HA   LEU   4           HA       LEU   4   9.709   2.741  -0.289
   28    HB2  LEU   4           HB2      LEU   4  10.855   0.701  -2.130
   29    HB3  LEU   4           HB3      LEU   4  10.432   2.373  -2.447
   30    HG   LEU   4           HG       LEU   4  12.549   2.220  -0.510
   31   HD11  LEU   4          HD11      LEU   4  14.244   1.196  -1.837
   32   HD12  LEU   4          HD12      LEU   4  13.131   0.987  -3.189
   33   HD13  LEU   4          HD13      LEU   4  12.898   0.048  -1.705
   34   HD21  LEU   4          HD21      LEU   4  13.545   3.792  -2.015
   35   HD22  LEU   4          HD22      LEU   4  11.814   4.134  -1.871
   36   HD23  LEU   4          HD23      LEU   4  12.440   3.315  -3.306
   37    H    PHE   5           H        PHE   5  10.309  -0.588  -1.085
   38    HA   PHE   5           HA       PHE   5   8.003  -1.522  -2.089
   39    HB2  PHE   5           HB2      PHE   5   9.796  -2.944  -2.108
   40    HB3  PHE   5           HB3      PHE   5  10.190  -2.706  -0.430
   41    HD1  PHE   5           HD1      PHE   5   7.971  -4.431  -2.817
   42    HD2  PHE   5           HD2      PHE   5   9.290  -4.198   1.221
   43    HE1  PHE   5           HE1      PHE   5   6.896  -6.590  -2.341
   44    HE2  PHE   5           HE2      PHE   5   8.212  -6.354   1.703
   45    HZ   PHE   5           HZ       PHE   5   7.015  -7.555  -0.082
   46    H    ASN   6           H        ASN   6   8.833  -2.025   1.314
   47    HA   ASN   6           HA       ASN   6   6.397  -2.991   2.184
   48    HB2  ASN   6           HB2      ASN   6   8.410  -1.328   3.693
   49    HB3  ASN   6           HB3      ASN   6   6.980  -1.998   4.458
   50   HD21  ASN   6          HD21      ASN   6  10.108  -2.692   3.163
   51   HD22  ASN   6          HD22      ASN   6  10.177  -4.344   3.682
   52    H    ARG   7           H        ARG   7   7.364   0.397   1.870
   53    HA   ARG   7           HA       ARG   7   5.084   1.374   3.222
   54    HB2  ARG   7           HB2      ARG   7   6.892   2.825   3.302
   55    HB3  ARG   7           HB3      ARG   7   7.293   2.584   1.611
   56    HG2  ARG   7           HG2      ARG   7   4.743   3.953   2.303
   57    HG3  ARG   7           HG3      ARG   7   6.267   4.834   2.445
   58    HD2  ARG   7           HD2      ARG   7   6.800   4.304   0.131
   59    HD3  ARG   7           HD3      ARG   7   5.302   3.386  -0.011
   60    HE   ARG   7           HE       ARG   7   4.435   5.829   0.745
   61   HH11  ARG   7          HH11      ARG   7   6.568   4.752  -1.813
   62   HH12  ARG   7          HH12      ARG   7   6.161   6.057  -2.877
   63   HH21  ARG   7          HH21      ARG   7   3.911   7.565  -0.647
   64   HH22  ARG   7          HH22      ARG   7   4.677   7.675  -2.200
   65    H    ILE   8           H        ILE   8   5.915   0.755  -0.131
   66    HA   ILE   8           HA       ILE   8   3.598   1.921  -1.278
   67    HB   ILE   8           HB       ILE   8   5.354  -0.300  -2.348
   68   HG12  ILE   8          HG12      ILE   8   5.349   2.665  -2.966
   69   HG13  ILE   8          HG13      ILE   8   6.510   1.863  -1.913
   70   HG21  ILE   8          HG21      ILE   8   3.335   1.429  -3.781
   71   HG22  ILE   8          HG22      ILE   8   3.155  -0.289  -3.423
   72   HG23  ILE   8          HG23      ILE   8   4.411   0.255  -4.538
   73   HD11  ILE   8          HD11      ILE   8   6.129   1.334  -4.850
   74   HD12  ILE   8          HD12      ILE   8   7.290   0.524  -3.799
   75   HD13  ILE   8          HD13      ILE   8   7.442   2.253  -4.116
   76    H    ILE   9           H        ILE   9   4.329  -1.283   0.009
   77    HA   ILE   9           HA       ILE   9   2.151  -2.709  -0.975
   78    HB   ILE   9           HB       ILE   9   3.202  -3.082   1.823
   79   HG12  ILE   9          HG12      ILE   9   5.169  -2.973   0.464
   80   HG13  ILE   9          HG13      ILE   9   4.857  -4.666   0.826
   81   HG21  ILE   9          HG21      ILE   9   1.264  -4.408   1.282
   82   HG22  ILE   9          HG22      ILE   9   2.684  -5.448   1.385
   83   HG23  ILE   9          HG23      ILE   9   2.040  -4.991  -0.191
   84   HD11  ILE   9          HD11      ILE   9   4.094  -3.311  -1.738
   85   HD12  ILE   9          HD12      ILE   9   4.005  -5.033  -1.373
   86   HD13  ILE   9          HD13      ILE   9   5.577  -4.234  -1.490
   87    H    ARG  10           H        ARG  10   2.425  -0.779   1.982
   88    HA   ARG  10           HA       ARG  10  -0.351  -1.209   2.624
   89    HB2  ARG  10           HB2      ARG  10   1.956   0.048   3.965
   90    HB3  ARG  10           HB3      ARG  10   0.375   0.687   4.390
   91    HG2  ARG  10           HG2      ARG  10   0.855  -0.971   5.951
   92    HG3  ARG  10           HG3      ARG  10  -0.272  -1.720   4.814
   93    HD2  ARG  10           HD2      ARG  10   1.420  -3.275   5.138
   94    HD3  ARG  10           HD3      ARG  10   1.761  -2.567   3.577
   95    HE   ARG  10           HE       ARG  10   3.293  -1.088   5.180
   96   HH11  ARG  10          HH11      ARG  10   2.841  -4.544   4.966
   97   HH12  ARG  10          HH12      ARG  10   4.422  -4.917   5.566
   98   HH21  ARG  10          HH21      ARG  10   5.387  -1.569   5.971
   99   HH22  ARG  10          HH22      ARG  10   5.877  -3.226   6.131
  100    H    LYS  11           H        LYS  11   1.438   1.101   0.821
  101    HA   LYS  11           HA       LYS  11  -0.510   3.195   0.975
  102    HB2  LYS  11           HB2      LYS  11   1.808   3.644   0.255
  103    HB3  LYS  11           HB3      LYS  11   1.560   2.638  -1.165
  104    HG2  LYS  11           HG2      LYS  11  -0.251   4.198  -1.867
  105    HG3  LYS  11           HG3      LYS  11   0.201   5.244  -0.522
  106    HD2  LYS  11           HD2      LYS  11   2.430   5.515  -1.450
  107    HD3  LYS  11           HD3      LYS  11   2.042   4.397  -2.760
  108    HE2  LYS  11           HE2      LYS  11   0.256   5.940  -3.496
  109    HE3  LYS  11           HE3      LYS  11   0.742   7.067  -2.234
  110    HZ1  LYS  11           HZ1      LYS  11   2.894   7.276  -3.274
  111    HZ2  LYS  11           HZ2      LYS  11   1.688   7.633  -4.399
  112    HZ3  LYS  11           HZ3      LYS  11   2.481   6.141  -4.456
  113    H    VAL  12           H        VAL  12   0.098   0.449  -1.121
  114    HA   VAL  12           HA       VAL  12  -2.113   1.029  -2.868
  115    HB   VAL  12           HB       VAL  12  -0.398  -1.449  -2.598
  116   HG11  VAL  12          HG11      VAL  12  -2.319  -0.708  -4.805
  117   HG12  VAL  12          HG12      VAL  12  -2.658  -1.883  -3.539
  118   HG13  VAL  12          HG13      VAL  12  -1.353  -2.182  -4.693
  119   HG21  VAL  12          HG21      VAL  12   0.653  -0.636  -4.665
  120   HG22  VAL  12          HG22      VAL  12   0.849   0.505  -3.335
  121   HG23  VAL  12          HG23      VAL  12  -0.347   0.815  -4.594
  122    H    VAL  13           H        VAL  13  -1.628  -0.739   0.076
  123    HA   VAL  13           HA       VAL  13  -3.812  -2.516  -0.152
  124    HB   VAL  13           HB       VAL  13  -1.728  -2.201   1.595
  125   HG11  VAL  13          HG11      VAL  13  -2.833  -0.486   2.894
  126   HG12  VAL  13          HG12      VAL  13  -2.683  -1.965   3.843
  127   HG13  VAL  13          HG13      VAL  13  -4.234  -1.532   3.124
  128   HG21  VAL  13          HG21      VAL  13  -2.661  -4.148   2.736
  129   HG22  VAL  13          HG22      VAL  13  -2.758  -4.265   0.980
  130   HG23  VAL  13          HG23      VAL  13  -4.197  -3.868   1.917
  131    H    LYS  14           H        LYS  14  -3.417   0.757   0.565
  132    HA   LYS  14           HA       LYS  14  -5.822   1.351   1.877
  133    HB2  LYS  14           HB2      LYS  14  -3.903   2.883   0.154
  134    HB3  LYS  14           HB3      LYS  14  -5.352   3.656   0.805
  135    HG2  LYS  14           HG2      LYS  14  -3.103   2.409   2.379
  136    HG3  LYS  14           HG3      LYS  14  -3.419   4.131   2.189
  137    HD2  LYS  14           HD2      LYS  14  -5.254   2.149   3.534
  138    HD3  LYS  14           HD3      LYS  14  -4.181   3.277   4.361
  139    HE2  LYS  14           HE2      LYS  14  -6.419   4.061   2.506
  140    HE3  LYS  14           HE3      LYS  14  -6.519   4.063   4.265
  141    HZ1  LYS  14           HZ1      LYS  14  -4.729   5.738   2.589
  142    HZ2  LYS  14           HZ2      LYS  14  -4.680   5.681   4.277
  143    HZ3  LYS  14           HZ3      LYS  14  -6.057   6.264   3.492
  144    H    LEU  15           H        LEU  15  -4.960   1.106  -1.577
  145    HA   LEU  15           HA       LEU  15  -7.676   1.820  -2.304
  146    HB2  LEU  15           HB2      LEU  15  -6.937   1.697  -4.595
  147    HB3  LEU  15           HB3      LEU  15  -5.794   2.627  -3.652
  148    HG   LEU  15           HG       LEU  15  -4.473   0.363  -3.541
  149   HD11  LEU  15          HD11      LEU  15  -6.094   0.003  -6.058
  150   HD12  LEU  15          HD12      LEU  15  -6.190  -1.003  -4.614
  151   HD13  LEU  15          HD13      LEU  15  -4.707  -0.970  -5.568
  152   HD21  LEU  15          HD21      LEU  15  -4.607   2.098  -6.001
  153   HD22  LEU  15          HD22      LEU  15  -3.277   1.024  -5.578
  154   HD23  LEU  15          HD23      LEU  15  -3.651   2.407  -4.552
  155    H    PHE  16           H        PHE  16  -5.823  -0.953  -1.611
  156    HA   PHE  16           HA       PHE  16  -7.386  -2.854  -3.056
  157    HB2  PHE  16           HB2      PHE  16  -5.028  -3.195  -2.189
  158    HB3  PHE  16           HB3      PHE  16  -5.725  -3.356  -0.585
  159    HD1  PHE  16           HD1      PHE  16  -6.849  -5.347   0.093
  160    HD2  PHE  16           HD2      PHE  16  -5.513  -4.887  -3.919
  161    HE1  PHE  16           HE1      PHE  16  -7.261  -7.736  -0.314
  162    HE2  PHE  16           HE2      PHE  16  -5.923  -7.278  -4.332
  163    HZ   PHE  16           HZ       PHE  16  -6.800  -8.704  -2.530
  164    H    ASN  17           H        ASN  17  -7.304  -1.757   0.315
  165    HA   ASN  17           HA       ASN  17  -9.554  -3.437   1.031
  166    HB2  ASN  17           HB2      ASN  17  -7.894  -1.436   2.560
  167    HB3  ASN  17           HB3      ASN  17  -9.328  -2.180   3.254
  168   HD21  ASN  17          HD21      ASN  17  -7.206  -3.881   1.074
  169   HD22  ASN  17          HD22      ASN  17  -6.559  -4.975   2.246
  Start of MODEL    4
    1    H1   LEU   1           H1       LEU   1  17.333  -1.129   2.703
    2    H2   LEU   1           H2       LEU   1  15.870  -0.708   3.434
    3    H3   LEU   1           H3       LEU   1  15.965  -0.848   1.754
    4    HA   LEU   1           HA       LEU   1  16.374  -3.189   1.915
    5    HB2  LEU   1           HB2      LEU   1  16.097  -2.698   4.881
    6    HB3  LEU   1           HB3      LEU   1  16.116  -4.285   4.137
    7    HG   LEU   1           HG       LEU   1  18.396  -2.307   4.043
    8   HD11  LEU   1          HD11      LEU   1  18.055  -4.818   5.671
    9   HD12  LEU   1          HD12      LEU   1  18.023  -3.168   6.294
   10   HD13  LEU   1          HD13      LEU   1  19.506  -3.820   5.595
   11   HD21  LEU   1          HD21      LEU   1  18.186  -5.172   3.129
   12   HD22  LEU   1          HD22      LEU   1  19.675  -4.231   3.191
   13   HD23  LEU   1          HD23      LEU   1  18.374  -3.751   2.102
   14    H    MET   2           H        MET   2  14.501  -2.738   0.711
   15    HA   MET   2           HA       MET   2  12.339  -2.884   0.127
   16    HB2  MET   2           HB2      MET   2  11.115  -4.728   0.917
   17    HB3  MET   2           HB3      MET   2  12.801  -5.194   1.029
   18    HG2  MET   2           HG2      MET   2  12.755  -4.725   3.437
   19    HG3  MET   2           HG3      MET   2  11.050  -4.301   3.307
   20    HE1  MET   2           HE1      MET   2   9.163  -6.029   2.569
   21    HE2  MET   2           HE2      MET   2   9.464  -7.738   2.252
   22    HE3  MET   2           HE3      MET   2  10.083  -6.513   1.144
   23    H    GLY   3           H        GLY   3  13.073  -0.948   2.466
   24    HA2  GLY   3           HA2      GLY   3  10.635  -0.608   3.913
   25    HA3  GLY   3           HA3      GLY   3  11.945   0.560   3.796
   26    H    LEU   4           H        LEU   4  11.954   0.649   0.947
   27    HA   LEU   4           HA       LEU   4  10.067   2.654   0.356
   28    HB2  LEU   4           HB2      LEU   4  11.121   0.835  -1.767
   29    HB3  LEU   4           HB3      LEU   4  10.848   2.562  -1.832
   30    HG   LEU   4           HG       LEU   4  12.923   1.799   0.068
   31   HD11  LEU   4          HD11      LEU   4  13.125   0.043  -1.716
   32   HD12  LEU   4          HD12      LEU   4  14.545   1.083  -1.521
   33   HD13  LEU   4          HD13      LEU   4  13.432   1.351  -2.864
   34   HD21  LEU   4          HD21      LEU   4  12.908   3.647  -2.307
   35   HD22  LEU   4          HD22      LEU   4  14.062   3.641  -0.971
   36   HD23  LEU   4          HD23      LEU   4  12.377   4.086  -0.682
   37    H    PHE   5           H        PHE   5  10.275  -0.749  -0.355
   38    HA   PHE   5           HA       PHE   5   8.019  -0.941  -2.017
   39    HB2  PHE   5           HB2      PHE   5  10.097  -2.436  -1.852
   40    HB3  PHE   5           HB3      PHE   5   9.280  -3.204  -0.490
   41    HD1  PHE   5           HD1      PHE   5   7.903  -5.003  -0.858
   42    HD2  PHE   5           HD2      PHE   5   8.694  -2.309  -4.052
   43    HE1  PHE   5           HE1      PHE   5   6.674  -6.476  -2.399
   44    HE2  PHE   5           HE2      PHE   5   7.465  -3.775  -5.594
   45    HZ   PHE   5           HZ       PHE   5   6.455  -5.858  -4.772
   46    H    ASN   6           H        ASN   6   8.554  -1.870   1.387
   47    HA   ASN   6           HA       ASN   6   6.019  -2.898   1.926
   48    HB2  ASN   6           HB2      ASN   6   7.906  -1.393   3.743
   49    HB3  ASN   6           HB3      ASN   6   6.444  -2.189   4.304
   50   HD21  ASN   6          HD21      ASN   6   9.195  -2.711   5.034
   51   HD22  ASN   6          HD22      ASN   6   9.496  -4.366   4.644
   52    H    ARG   7           H        ARG   7   7.176   0.417   1.926
   53    HA   ARG   7           HA       ARG   7   4.868   1.551   3.057
   54    HB2  ARG   7           HB2      ARG   7   6.733   2.908   3.220
   55    HB3  ARG   7           HB3      ARG   7   7.262   2.559   1.585
   56    HG2  ARG   7           HG2      ARG   7   4.777   4.149   2.003
   57    HG3  ARG   7           HG3      ARG   7   6.356   4.914   2.220
   58    HD2  ARG   7           HD2      ARG   7   6.986   4.051  -0.037
   59    HD3  ARG   7           HD3      ARG   7   5.319   3.518  -0.235
   60    HE   ARG   7           HE       ARG   7   4.975   6.108   0.331
   61   HH11  ARG   7          HH11      ARG   7   7.173   4.535  -1.893
   62   HH12  ARG   7          HH12      ARG   7   7.188   5.856  -3.014
   63   HH21  ARG   7          HH21      ARG   7   4.978   7.844  -1.160
   64   HH22  ARG   7          HH22      ARG   7   5.939   7.736  -2.599
   65    H    ILE   8           H        ILE   8   5.841   0.755  -0.215
   66    HA   ILE   8           HA       ILE   8   3.603   1.918  -1.520
   67    HB   ILE   8           HB       ILE   8   5.457  -0.318  -2.347
   68   HG12  ILE   8          HG12      ILE   8   6.465   1.916  -2.205
   69   HG13  ILE   8          HG13      ILE   8   6.381   1.360  -3.873
   70   HG21  ILE   8          HG21      ILE   8   4.514  -0.168  -4.586
   71   HG22  ILE   8          HG22      ILE   8   3.343   1.026  -4.030
   72   HG23  ILE   8          HG23      ILE   8   3.270  -0.627  -3.422
   73   HD11  ILE   8          HD11      ILE   8   4.369   2.750  -4.193
   74   HD12  ILE   8          HD12      ILE   8   5.797   3.687  -3.758
   75   HD13  ILE   8          HD13      ILE   8   4.558   3.356  -2.549
   76    H    ILE   9           H        ILE   9   4.239  -1.246  -0.078
   77    HA   ILE   9           HA       ILE   9   2.020  -2.623  -1.076
   78    HB   ILE   9           HB       ILE   9   3.138  -3.029   1.697
   79   HG12  ILE   9          HG12      ILE   9   5.026  -3.008   0.197
   80   HG13  ILE   9          HG13      ILE   9   4.693  -4.668   0.675
   81   HG21  ILE   9          HG21      ILE   9   1.093  -4.253   1.211
   82   HG22  ILE   9          HG22      ILE   9   2.463  -5.354   1.358
   83   HG23  ILE   9          HG23      ILE   9   1.836  -4.934  -0.236
   84   HD11  ILE   9          HD11      ILE   9   3.599  -5.065  -1.451
   85   HD12  ILE   9          HD12      ILE   9   5.256  -4.495  -1.673
   86   HD13  ILE   9          HD13      ILE   9   3.900  -3.393  -1.922
   87    H    ARG  10           H        ARG  10   2.401  -0.607   1.786
   88    HA   ARG  10           HA       ARG  10  -0.346  -0.979   2.567
   89    HB2  ARG  10           HB2      ARG  10   2.036   0.327   3.704
   90    HB3  ARG  10           HB3      ARG  10   0.500   1.081   4.108
   91    HG2  ARG  10           HG2      ARG  10   1.442  -0.727   5.675
   92    HG3  ARG  10           HG3      ARG  10  -0.267  -0.786   5.245
   93    HD2  ARG  10           HD2      ARG  10   0.122  -2.512   3.643
   94    HD3  ARG  10           HD3      ARG  10   1.865  -2.353   3.810
   95    HE   ARG  10           HE       ARG  10   0.986  -2.972   6.322
   96   HH11  ARG  10          HH11      ARG  10   0.672  -4.448   3.170
   97   HH12  ARG  10          HH12      ARG  10   0.554  -6.062   3.785
   98   HH21  ARG  10          HH21      ARG  10   0.805  -5.097   7.152
   99   HH22  ARG  10          HH22      ARG  10   0.618  -6.429   6.058
  100    H    LYS  11           H        LYS  11   1.432   1.276   0.637
  101    HA   LYS  11           HA       LYS  11  -0.518   3.360   0.714
  102    HB2  LYS  11           HB2      LYS  11   1.875   3.606  -0.096
  103    HB3  LYS  11           HB3      LYS  11   1.389   2.753  -1.555
  104    HG2  LYS  11           HG2      LYS  11  -0.291   4.514  -1.982
  105    HG3  LYS  11           HG3      LYS  11   0.316   5.388  -0.574
  106    HD2  LYS  11           HD2      LYS  11   2.566   5.415  -1.655
  107    HD3  LYS  11           HD3      LYS  11   1.823   4.721  -3.098
  108    HE2  LYS  11           HE2      LYS  11   1.181   7.377  -1.824
  109    HE3  LYS  11           HE3      LYS  11   2.003   7.112  -3.360
  110    HZ1  LYS  11           HZ1      LYS  11  -0.024   6.135  -4.234
  111    HZ2  LYS  11           HZ2      LYS  11  -0.317   7.702  -3.673
  112    HZ3  LYS  11           HZ3      LYS  11  -0.808   6.374  -2.757
  113    H    VAL  12           H        VAL  12   0.050   0.522  -1.252
  114    HA   VAL  12           HA       VAL  12  -2.227   0.995  -2.956
  115    HB   VAL  12           HB       VAL  12  -0.435  -1.422  -2.650
  116   HG11  VAL  12          HG11      VAL  12  -2.706  -1.986  -3.463
  117   HG12  VAL  12          HG12      VAL  12  -1.455  -2.268  -4.677
  118   HG13  VAL  12          HG13      VAL  12  -2.488  -0.841  -4.786
  119   HG21  VAL  12          HG21      VAL  12   0.502  -0.686  -4.798
  120   HG22  VAL  12          HG22      VAL  12   0.713   0.534  -3.541
  121   HG23  VAL  12          HG23      VAL  12  -0.543   0.733  -4.763
  122    H    VAL  13           H        VAL  13  -1.575  -0.662   0.025
  123    HA   VAL  13           HA       VAL  13  -3.710  -2.509  -0.072
  124    HB   VAL  13           HB       VAL  13  -1.550  -2.086   1.584
  125   HG11  VAL  13          HG11      VAL  13  -2.415  -1.859   3.853
  126   HG12  VAL  13          HG12      VAL  13  -4.025  -1.538   3.208
  127   HG13  VAL  13          HG13      VAL  13  -2.708  -0.406   2.896
  128   HG21  VAL  13          HG21      VAL  13  -2.351  -4.060   2.773
  129   HG22  VAL  13          HG22      VAL  13  -2.522  -4.198   1.023
  130   HG23  VAL  13          HG23      VAL  13  -3.933  -3.854   2.022
  131    H    LYS  14           H        LYS  14  -3.374   0.787   0.596
  132    HA   LYS  14           HA       LYS  14  -5.765   1.321   1.967
  133    HB2  LYS  14           HB2      LYS  14  -3.919   2.908   0.216
  134    HB3  LYS  14           HB3      LYS  14  -5.348   3.644   0.945
  135    HG2  LYS  14           HG2      LYS  14  -3.045   2.367   2.411
  136    HG3  LYS  14           HG3      LYS  14  -3.331   4.096   2.239
  137    HD2  LYS  14           HD2      LYS  14  -5.246   2.192   3.567
  138    HD3  LYS  14           HD3      LYS  14  -4.030   3.129   4.434
  139    HE2  LYS  14           HE2      LYS  14  -6.191   4.309   2.699
  140    HE3  LYS  14           HE3      LYS  14  -6.288   4.167   4.451
  141    HZ1  LYS  14           HZ1      LYS  14  -5.571   6.368   3.823
  142    HZ2  LYS  14           HZ2      LYS  14  -4.281   5.742   2.930
  143    HZ3  LYS  14           HZ3      LYS  14  -4.306   5.570   4.612
  144    H    LEU  15           H        LEU  15  -4.971   1.025  -1.486
  145    HA   LEU  15           HA       LEU  15  -7.715   1.705  -2.183
  146    HB2  LEU  15           HB2      LEU  15  -6.981   1.655  -4.477
  147    HB3  LEU  15           HB3      LEU  15  -5.867   2.602  -3.516
  148    HG   LEU  15           HG       LEU  15  -4.497   0.352  -3.452
  149   HD11  LEU  15          HD11      LEU  15  -6.089   0.083  -5.999
  150   HD12  LEU  15          HD12      LEU  15  -6.138  -1.010  -4.615
  151   HD13  LEU  15          HD13      LEU  15  -4.664  -0.863  -5.573
  152   HD21  LEU  15          HD21      LEU  15  -3.270   1.133  -5.423
  153   HD22  LEU  15          HD22      LEU  15  -3.700   2.459  -4.344
  154   HD23  LEU  15          HD23      LEU  15  -4.616   2.200  -5.828
  155    H    PHE  16           H        PHE  16  -5.838  -0.985  -1.420
  156    HA   PHE  16           HA       PHE  16  -7.386  -2.906  -2.929
  157    HB2  PHE  16           HB2      PHE  16  -4.910  -3.101  -2.302
  158    HB3  PHE  16           HB3      PHE  16  -5.466  -3.485  -0.680
  159    HD1  PHE  16           HD1      PHE  16  -5.641  -5.696  -0.129
  160    HD2  PHE  16           HD2      PHE  16  -6.142  -4.546  -4.193
  161    HE1  PHE  16           HE1      PHE  16  -5.882  -8.060  -0.765
  162    HE2  PHE  16           HE2      PHE  16  -6.385  -6.907  -4.836
  163    HZ   PHE  16           HZ       PHE  16  -6.254  -8.669  -3.119
  164    H    ASN  17           H        ASN  17  -7.003  -1.928   0.462
  165    HA   ASN  17           HA       ASN  17  -9.404  -3.467   1.162
  166    HB2  ASN  17           HB2      ASN  17  -7.276  -2.140   2.847
  167    HB3  ASN  17           HB3      ASN  17  -8.783  -2.721   3.533
  168   HD21  ASN  17          HD21      ASN  17  -7.066  -4.325   0.939
  169   HD22  ASN  17          HD22      ASN  17  -6.590  -5.710   1.858
  Start of MODEL    5
    1    H1   LEU   1           H1       LEU   1  16.286  -0.444   1.798
    2    H2   LEU   1           H2       LEU   1  17.806  -1.009   1.323
    3    H3   LEU   1           H3       LEU   1  16.520  -2.090   1.501
    4    HA   LEU   1           HA       LEU   1  16.703   0.075  -0.503
    5    HB2  LEU   1           HB2      LEU   1  18.202  -1.847  -0.925
    6    HB3  LEU   1           HB3      LEU   1  16.820  -2.922  -0.843
    7    HG   LEU   1           HG       LEU   1  15.843  -1.628  -2.789
    8   HD11  LEU   1          HD11      LEU   1  18.658  -0.563  -2.926
    9   HD12  LEU   1          HD12      LEU   1  17.200   0.374  -2.601
   10   HD13  LEU   1          HD13      LEU   1  17.428  -0.383  -4.177
   11   HD21  LEU   1          HD21      LEU   1  16.806  -3.826  -3.077
   12   HD22  LEU   1          HD22      LEU   1  18.421  -3.130  -3.185
   13   HD23  LEU   1          HD23      LEU   1  17.233  -2.797  -4.443
   14    H    MET   2           H        MET   2  14.866  -2.700   0.755
   15    HA   MET   2           HA       MET   2  12.657  -2.168  -1.020
   16    HB2  MET   2           HB2      MET   2  13.191  -4.206   1.110
   17    HB3  MET   2           HB3      MET   2  11.565  -3.993   0.484
   18    HG2  MET   2           HG2      MET   2  12.679  -5.805  -0.655
   19    HG3  MET   2           HG3      MET   2  12.366  -4.480  -1.772
   20    HE1  MET   2           HE1      MET   2  15.693  -5.959  -3.172
   21    HE2  MET   2           HE2      MET   2  14.041  -5.468  -3.547
   22    HE3  MET   2           HE3      MET   2  14.332  -6.839  -2.478
   23    H    GLY   3           H        GLY   3  13.643  -0.548   1.590
   24    HA2  GLY   3           HA2      GLY   3  11.459  -0.276   3.293
   25    HA3  GLY   3           HA3      GLY   3  12.622   0.997   2.948
   26    H    LEU   4           H        LEU   4  11.971   1.009   0.094
   27    HA   LEU   4           HA       LEU   4   9.848   2.868   0.007
   28    HB2  LEU   4           HB2      LEU   4  10.554   1.170  -2.349
   29    HB3  LEU   4           HB3      LEU   4  10.090   2.856  -2.312
   30    HG   LEU   4           HG       LEU   4  12.640   2.239  -0.995
   31   HD11  LEU   4          HD11      LEU   4  12.419   2.132  -3.998
   32   HD12  LEU   4          HD12      LEU   4  12.534   0.694  -2.981
   33   HD13  LEU   4          HD13      LEU   4  13.860   1.867  -3.013
   34   HD21  LEU   4          HD21      LEU   4  11.774   4.514  -1.291
   35   HD22  LEU   4          HD22      LEU   4  11.787   4.284  -3.040
   36   HD23  LEU   4          HD23      LEU   4  13.302   4.280  -2.137
   37    H    PHE   5           H        PHE   5  10.152  -0.479  -0.991
   38    HA   PHE   5           HA       PHE   5   7.542  -0.688  -2.041
   39    HB2  PHE   5           HB2      PHE   5   9.731  -1.983  -2.602
   40    HB3  PHE   5           HB3      PHE   5   9.226  -3.047  -1.282
   41    HD1  PHE   5           HD1      PHE   5   8.399  -1.836  -4.639
   42    HD2  PHE   5           HD2      PHE   5   7.343  -4.510  -1.505
   43    HE1  PHE   5           HE1      PHE   5   6.902  -3.041  -6.175
   44    HE2  PHE   5           HE2      PHE   5   5.844  -5.718  -3.036
   45    HZ   PHE   5           HZ       PHE   5   5.623  -4.983  -5.374
   46    H    ASN   6           H        ASN   6   9.031  -1.703   1.012
   47    HA   ASN   6           HA       ASN   6   6.903  -3.098   2.145
   48    HB2  ASN   6           HB2      ASN   6   8.883  -1.220   3.448
   49    HB3  ASN   6           HB3      ASN   6   7.759  -2.217   4.355
   50   HD21  ASN   6          HD21      ASN   6   9.539  -3.206   5.374
   51   HD22  ASN   6          HD22      ASN   6  10.468  -4.425   4.573
   52    H    ARG   7           H        ARG   7   7.496   0.358   1.901
   53    HA   ARG   7           HA       ARG   7   5.227   1.069   3.456
   54    HB2  ARG   7           HB2      ARG   7   6.913   2.656   3.556
   55    HB3  ARG   7           HB3      ARG   7   7.273   2.532   1.844
   56    HG2  ARG   7           HG2      ARG   7   4.654   3.674   2.674
   57    HG3  ARG   7           HG3      ARG   7   6.113   4.656   2.836
   58    HD2  ARG   7           HD2      ARG   7   6.626   4.257   0.476
   59    HD3  ARG   7           HD3      ARG   7   5.159   3.296   0.326
   60    HE   ARG   7           HE       ARG   7   4.252   5.690   1.235
   61   HH11  ARG   7          HH11      ARG   7   6.311   4.764  -1.428
   62   HH12  ARG   7          HH12      ARG   7   5.803   6.068  -2.453
   63   HH21  ARG   7          HH21      ARG   7   3.577   7.424  -0.107
   64   HH22  ARG   7          HH22      ARG   7   4.247   7.581  -1.699
   65    H    ILE   8           H        ILE   8   5.946   0.594   0.079
   66    HA   ILE   8           HA       ILE   8   3.609   1.705  -1.033
   67    HB   ILE   8           HB       ILE   8   5.361  -0.531  -2.065
   68   HG12  ILE   8          HG12      ILE   8   5.230   2.411  -2.762
   69   HG13  ILE   8          HG13      ILE   8   6.494   1.636  -1.813
   70   HG21  ILE   8          HG21      ILE   8   3.135  -0.662  -3.067
   71   HG22  ILE   8          HG22      ILE   8   4.335  -0.140  -4.250
   72   HG23  ILE   8          HG23      ILE   8   3.237   1.037  -3.529
   73   HD11  ILE   8          HD11      ILE   8   7.241   2.018  -4.073
   74   HD12  ILE   8          HD12      ILE   8   5.868   1.114  -4.708
   75   HD13  ILE   8          HD13      ILE   8   7.107   0.287  -3.766
   76    H    ILE   9           H        ILE   9   4.292  -1.458   0.372
   77    HA   ILE   9           HA       ILE   9   2.112  -2.913  -0.523
   78    HB   ILE   9           HB       ILE   9   3.188  -3.039   2.297
   79   HG12  ILE   9          HG12      ILE   9   5.064  -3.187   0.765
   80   HG13  ILE   9          HG13      ILE   9   4.747  -4.766   1.476
   81   HG21  ILE   9          HG21      ILE   9   2.500  -5.386   2.207
   82   HG22  ILE   9          HG22      ILE   9   1.855  -5.128   0.586
   83   HG23  ILE   9          HG23      ILE   9   1.138  -4.293   1.964
   84   HD11  ILE   9          HD11      ILE   9   3.871  -3.886  -1.256
   85   HD12  ILE   9          HD12      ILE   9   3.655  -5.487  -0.547
   86   HD13  ILE   9          HD13      ILE   9   5.277  -4.885  -0.899
   87    H    ARG  10           H        ARG  10   2.368  -0.869   2.343
   88    HA   ARG  10           HA       ARG  10  -0.345  -1.204   3.073
   89    HB2  ARG  10           HB2      ARG  10   1.407   1.053   3.998
   90    HB3  ARG  10           HB3      ARG  10   0.113   0.246   4.872
   91    HG2  ARG  10           HG2      ARG  10   2.862  -0.770   4.272
   92    HG3  ARG  10           HG3      ARG  10   2.117  -0.506   5.847
   93    HD2  ARG  10           HD2      ARG  10   0.465  -2.295   5.215
   94    HD3  ARG  10           HD3      ARG  10   1.470  -2.623   3.813
   95    HE   ARG  10           HE       ARG  10   3.178  -2.758   5.952
   96   HH11  ARG  10          HH11      ARG  10   0.203  -4.370   5.063
   97   HH12  ARG  10          HH12      ARG  10   0.653  -5.877   5.791
   98   HH21  ARG  10          HH21      ARG  10   3.760  -4.735   6.935
   99   HH22  ARG  10          HH22      ARG  10   2.668  -6.079   6.870
  100    H    LYS  11           H        LYS  11   1.394   1.028   1.067
  101    HA   LYS  11           HA       LYS  11  -0.595   3.067   0.993
  102    HB2  LYS  11           HB2      LYS  11   1.730   3.502   0.310
  103    HB3  LYS  11           HB3      LYS  11   1.547   2.384  -1.035
  104    HG2  LYS  11           HG2      LYS  11  -0.235   3.840  -1.944
  105    HG3  LYS  11           HG3      LYS  11   0.095   4.990  -0.649
  106    HD2  LYS  11           HD2      LYS  11   2.378   5.260  -1.454
  107    HD3  LYS  11           HD3      LYS  11   2.083   4.072  -2.725
  108    HE2  LYS  11           HE2      LYS  11   0.728   6.749  -2.402
  109    HE3  LYS  11           HE3      LYS  11   1.911   6.310  -3.633
  110    HZ1  LYS  11           HZ1      LYS  11   0.345   4.701  -4.518
  111    HZ2  LYS  11           HZ2      LYS  11  -0.343   6.245  -4.501
  112    HZ3  LYS  11           HZ3      LYS  11  -0.792   5.110  -3.332
  113    H    VAL  12           H        VAL  12   0.127   0.220  -0.929
  114    HA   VAL  12           HA       VAL  12  -1.990   0.634  -2.801
  115    HB   VAL  12           HB       VAL  12  -0.390  -1.844  -2.145
  116   HG11  VAL  12          HG11      VAL  12  -1.304  -2.831  -4.135
  117   HG12  VAL  12          HG12      VAL  12  -2.148  -1.337  -4.545
  118   HG13  VAL  12          HG13      VAL  12  -2.653  -2.273  -3.139
  119   HG21  VAL  12          HG21      VAL  12  -0.182   0.122  -4.430
  120   HG22  VAL  12          HG22      VAL  12   0.788  -1.337  -4.235
  121   HG23  VAL  12          HG23      VAL  12   0.939  -0.015  -3.076
  122    H    VAL  13           H        VAL  13  -1.741  -0.817   0.344
  123    HA   VAL  13           HA       VAL  13  -3.967  -2.553   0.131
  124    HB   VAL  13           HB       VAL  13  -1.976  -2.091   1.997
  125   HG11  VAL  13          HG11      VAL  13  -3.126  -1.738   4.132
  126   HG12  VAL  13          HG12      VAL  13  -4.614  -1.375   3.257
  127   HG13  VAL  13          HG13      VAL  13  -3.208  -0.323   3.081
  128   HG21  VAL  13          HG21      VAL  13  -2.988  -3.978   3.180
  129   HG22  VAL  13          HG22      VAL  13  -2.917  -4.211   1.434
  130   HG23  VAL  13          HG23      VAL  13  -4.444  -3.782   2.205
  131    H    LYS  14           H        LYS  14  -3.454   0.759   0.705
  132    HA   LYS  14           HA       LYS  14  -5.939   1.509   1.767
  133    HB2  LYS  14           HB2      LYS  14  -3.822   2.915   0.169
  134    HB3  LYS  14           HB3      LYS  14  -5.267   3.758   0.735
  135    HG2  LYS  14           HG2      LYS  14  -3.104   2.469   2.389
  136    HG3  LYS  14           HG3      LYS  14  -3.488   4.185   2.270
  137    HD2  LYS  14           HD2      LYS  14  -5.260   2.049   3.462
  138    HD3  LYS  14           HD3      LYS  14  -4.313   3.232   4.362
  139    HE2  LYS  14           HE2      LYS  14  -5.610   5.040   3.436
  140    HE3  LYS  14           HE3      LYS  14  -6.492   3.923   2.400
  141    HZ1  LYS  14           HZ1      LYS  14  -7.467   2.904   4.323
  142    HZ2  LYS  14           HZ2      LYS  14  -7.731   4.572   4.400
  143    HZ3  LYS  14           HZ3      LYS  14  -6.541   3.863   5.365
  144    H    LEU  15           H        LEU  15  -4.800   1.023  -1.570
  145    HA   LEU  15           HA       LEU  15  -7.403   1.843  -2.579
  146    HB2  LEU  15           HB2      LEU  15  -6.427   1.632  -4.778
  147    HB3  LEU  15           HB3      LEU  15  -5.380   2.570  -3.735
  148    HG   LEU  15           HG       LEU  15  -4.178   0.234  -3.413
  149   HD11  LEU  15          HD11      LEU  15  -5.424  -0.003  -6.146
  150   HD12  LEU  15          HD12      LEU  15  -5.733  -1.050  -4.761
  151   HD13  LEU  15          HD13      LEU  15  -4.136  -1.027  -5.510
  152   HD21  LEU  15          HD21      LEU  15  -2.635   0.887  -5.195
  153   HD22  LEU  15          HD22      LEU  15  -3.135   2.273  -4.227
  154   HD23  LEU  15          HD23      LEU  15  -3.838   2.013  -5.822
  155    H    PHE  16           H        PHE  16  -5.706  -0.972  -1.674
  156    HA   PHE  16           HA       PHE  16  -7.191  -2.868  -3.215
  157    HB2  PHE  16           HB2      PHE  16  -4.910  -3.179  -2.097
  158    HB3  PHE  16           HB3      PHE  16  -5.792  -3.373  -0.591
  159    HD1  PHE  16           HD1      PHE  16  -5.446  -4.775  -4.004
  160    HD2  PHE  16           HD2      PHE  16  -6.666  -5.442   0.018
  161    HE1  PHE  16           HE1      PHE  16  -5.740  -7.168  -4.494
  162    HE2  PHE  16           HE2      PHE  16  -6.963  -7.836  -0.466
  163    HZ   PHE  16           HZ       PHE  16  -6.500  -8.700  -2.724
  164    H    ASN  17           H        ASN  17  -7.419  -1.474  -0.006
  165    HA   ASN  17           HA       ASN  17  -9.789  -2.965   0.690
  166    HB2  ASN  17           HB2      ASN  17  -8.307  -0.691   2.004
  167    HB3  ASN  17           HB3      ASN  17  -9.853  -1.259   2.616
  168   HD21  ASN  17          HD21      ASN  17  -7.503  -3.408   1.186
  169   HD22  ASN  17          HD22      ASN  17  -7.068  -4.217   2.649
  Start of MODEL    6
    1    H1   LEU   1           H1       LEU   1  16.047  -3.983  -0.606
    2    H2   LEU   1           H2       LEU   1  17.082  -3.220  -1.693
    3    H3   LEU   1           H3       LEU   1  15.685  -3.981  -2.255
    4    HA   LEU   1           HA       LEU   1  15.793  -1.597  -0.517
    5    HB2  LEU   1           HB2      LEU   1  15.178  -1.998  -3.436
    6    HB3  LEU   1           HB3      LEU   1  14.569  -0.610  -2.561
    7    HG   LEU   1           HG       LEU   1  16.973  -0.045  -2.001
    8   HD11  LEU   1          HD11      LEU   1  17.494  -2.170  -4.070
    9   HD12  LEU   1          HD12      LEU   1  18.061  -2.139  -2.401
   10   HD13  LEU   1          HD13      LEU   1  18.674  -0.963  -3.560
   11   HD21  LEU   1          HD21      LEU   1  17.406   0.930  -4.216
   12   HD22  LEU   1          HD22      LEU   1  15.743   1.172  -3.682
   13   HD23  LEU   1          HD23      LEU   1  16.111  -0.062  -4.885
   14    H    MET   2           H        MET   2  14.500  -3.283   0.805
   15    HA   MET   2           HA       MET   2  11.797  -3.721  -0.171
   16    HB2  MET   2           HB2      MET   2  11.481  -5.067   1.832
   17    HB3  MET   2           HB3      MET   2  12.964  -5.535   1.014
   18    HG2  MET   2           HG2      MET   2  14.296  -4.389   2.628
   19    HG3  MET   2           HG3      MET   2  12.872  -3.667   3.366
   20    HE1  MET   2           HE1      MET   2  14.876  -6.988   2.749
   21    HE2  MET   2           HE2      MET   2  13.282  -7.382   2.104
   22    HE3  MET   2           HE3      MET   2  13.860  -8.174   3.569
   23    H    GLY   3           H        GLY   3  13.489  -1.543   1.900
   24    HA2  GLY   3           HA2      GLY   3  11.511  -0.870   3.760
   25    HA3  GLY   3           HA3      GLY   3  12.809   0.194   3.239
   26    H    LEU   4           H        LEU   4  12.146   0.484   0.557
   27    HA   LEU   4           HA       LEU   4  10.146   2.497   0.636
   28    HB2  LEU   4           HB2      LEU   4  10.859   1.097  -1.897
   29    HB3  LEU   4           HB3      LEU   4  10.533   2.795  -1.629
   30    HG   LEU   4           HG       LEU   4  12.933   1.821  -0.281
   31   HD11  LEU   4          HD11      LEU   4  12.917   1.998  -3.284
   32   HD12  LEU   4          HD12      LEU   4  12.822   0.470  -2.404
   33   HD13  LEU   4          HD13      LEU   4  14.249   1.507  -2.234
   34   HD21  LEU   4          HD21      LEU   4  13.827   3.894  -1.145
   35   HD22  LEU   4          HD22      LEU   4  12.237   4.178  -0.431
   36   HD23  LEU   4          HD23      LEU   4  12.418   4.098  -2.186
   37    H    PHE   5           H        PHE   5  10.314  -0.733  -0.687
   38    HA   PHE   5           HA       PHE   5   7.885  -0.700  -2.058
   39    HB2  PHE   5           HB2      PHE   5   9.959  -2.195  -2.336
   40    HB3  PHE   5           HB3      PHE   5   9.242  -3.190  -1.066
   41    HD1  PHE   5           HD1      PHE   5   8.429  -1.695  -4.371
   42    HD2  PHE   5           HD2      PHE   5   7.757  -4.871  -1.623
   43    HE1  PHE   5           HE1      PHE   5   7.064  -2.853  -6.055
   44    HE2  PHE   5           HE2      PHE   5   6.387  -6.036  -3.304
   45    HZ   PHE   5           HZ       PHE   5   6.039  -5.027  -5.522
   46    H    ASN   6           H        ASN   6   8.726  -1.947   1.167
   47    HA   ASN   6           HA       ASN   6   6.273  -3.148   1.786
   48    HB2  ASN   6           HB2      ASN   6   8.237  -1.741   3.600
   49    HB3  ASN   6           HB3      ASN   6   6.860  -2.663   4.183
   50   HD21  ASN   6          HD21      ASN   6   9.685  -3.118   4.651
   51   HD22  ASN   6          HD22      ASN   6  10.024  -4.708   4.063
   52    H    ARG   7           H        ARG   7   7.336   0.195   2.038
   53    HA   ARG   7           HA       ARG   7   5.039   1.109   3.393
   54    HB2  ARG   7           HB2      ARG   7   6.850   2.523   3.655
   55    HB3  ARG   7           HB3      ARG   7   7.344   2.373   1.979
   56    HG2  ARG   7           HG2      ARG   7   4.802   3.791   2.615
   57    HG3  ARG   7           HG3      ARG   7   6.346   4.606   2.883
   58    HD2  ARG   7           HD2      ARG   7   6.976   4.176   0.567
   59    HD3  ARG   7           HD3      ARG   7   5.448   3.342   0.302
   60    HE   ARG   7           HE       ARG   7   4.565   5.724   1.071
   61   HH11  ARG   7          HH11      ARG   7   7.170   4.946  -1.125
   62   HH12  ARG   7          HH12      ARG   7   6.928   6.343  -2.124
   63   HH21  ARG   7          HH21      ARG   7   4.245   7.571  -0.229
   64   HH22  ARG   7          HH22      ARG   7   5.254   7.838  -1.614
   65    H    ILE   8           H        ILE   8   5.947   0.743   0.037
   66    HA   ILE   8           HA       ILE   8   3.713   2.050  -1.110
   67    HB   ILE   8           HB       ILE   8   5.394  -0.189  -2.257
   68   HG12  ILE   8          HG12      ILE   8   5.591   2.812  -2.626
   69   HG13  ILE   8          HG13      ILE   8   6.680   1.833  -1.647
   70   HG21  ILE   8          HG21      ILE   8   3.560   1.755  -3.659
   71   HG22  ILE   8          HG22      ILE   8   3.229   0.043  -3.390
   72   HG23  ILE   8          HG23      ILE   8   4.569   0.532  -4.433
   73   HD11  ILE   8          HD11      ILE   8   7.390   0.631  -3.653
   74   HD12  ILE   8          HD12      ILE   8   7.678   2.365  -3.783
   75   HD13  ILE   8          HD13      ILE   8   6.313   1.634  -4.626
   76    H    ILE   9           H        ILE   9   4.283  -1.238   0.021
   77    HA   ILE   9           HA       ILE   9   2.042  -2.508  -1.040
   78    HB   ILE   9           HB       ILE   9   3.166  -3.042   1.708
   79   HG12  ILE   9          HG12      ILE   9   5.013  -3.068   0.165
   80   HG13  ILE   9          HG13      ILE   9   4.612  -4.728   0.592
   81   HG21  ILE   9          HG21      ILE   9   1.726  -4.842  -0.228
   82   HG22  ILE   9          HG22      ILE   9   1.058  -4.159   1.255
   83   HG23  ILE   9          HG23      ILE   9   2.381  -5.321   1.339
   84   HD11  ILE   9          HD11      ILE   9   3.445  -4.993  -1.516
   85   HD12  ILE   9          HD12      ILE   9   5.121  -4.495  -1.764
   86   HD13  ILE   9          HD13      ILE   9   3.813  -3.320  -1.936
   87    H    ARG  10           H        ARG  10   2.386  -0.636   1.941
   88    HA   ARG  10           HA       ARG  10  -0.389  -1.045   2.619
   89    HB2  ARG  10           HB2      ARG  10   1.962   0.159   3.942
   90    HB3  ARG  10           HB3      ARG  10   0.397   0.825   4.387
   91    HG2  ARG  10           HG2      ARG  10   1.376  -1.127   5.767
   92    HG3  ARG  10           HG3      ARG  10  -0.330  -1.159   5.328
   93    HD2  ARG  10           HD2      ARG  10   0.082  -2.707   3.556
   94    HD3  ARG  10           HD3      ARG  10   1.821  -2.541   3.742
   95    HE   ARG  10           HE       ARG  10   1.231  -3.487   6.119
   96   HH11  ARG  10          HH11      ARG  10  -0.095  -4.461   3.027
   97   HH12  ARG  10          HH12      ARG  10  -0.373  -6.100   3.518
   98   HH21  ARG  10          HH21      ARG  10   0.870  -5.655   6.761
   99   HH22  ARG  10          HH22      ARG  10   0.164  -6.773   5.636
  100    H    LYS  11           H        LYS  11   1.472   1.263   0.916
  101    HA   LYS  11           HA       LYS  11  -0.394   3.413   1.014
  102    HB2  LYS  11           HB2      LYS  11   1.969   3.715   0.364
  103    HB3  LYS  11           HB3      LYS  11   1.700   2.723  -1.060
  104    HG2  LYS  11           HG2      LYS  11   0.141   4.386  -1.931
  105    HG3  LYS  11           HG3      LYS  11   0.403   5.383  -0.499
  106    HD2  LYS  11           HD2      LYS  11   2.785   5.553  -1.071
  107    HD3  LYS  11           HD3      LYS  11   2.502   4.579  -2.514
  108    HE2  LYS  11           HE2      LYS  11   1.230   7.247  -1.926
  109    HE3  LYS  11           HE3      LYS  11   2.595   6.986  -3.005
  110    HZ1  LYS  11           HZ1      LYS  11  -0.121   5.843  -3.355
  111    HZ2  LYS  11           HZ2      LYS  11   1.186   5.598  -4.392
  112    HZ3  LYS  11           HZ3      LYS  11   0.521   7.142  -4.226
  113    H    VAL  12           H        VAL  12   0.125   0.641  -1.063
  114    HA   VAL  12           HA       VAL  12  -2.096   1.292  -2.800
  115    HB   VAL  12           HB       VAL  12  -0.323  -1.154  -2.637
  116   HG11  VAL  12          HG11      VAL  12  -2.511  -1.711  -3.586
  117   HG12  VAL  12          HG12      VAL  12  -1.254  -1.762  -4.824
  118   HG13  VAL  12          HG13      VAL  12  -2.356  -0.386  -4.739
  119   HG21  VAL  12          HG21      VAL  12   0.705  -0.252  -4.669
  120   HG22  VAL  12          HG22      VAL  12   0.853   0.872  -3.318
  121   HG23  VAL  12          HG23      VAL  12  -0.347   1.160  -4.577
  122    H    VAL  13           H        VAL  13  -1.602  -0.422   0.132
  123    HA   VAL  13           HA       VAL  13  -3.648  -2.357  -0.137
  124    HB   VAL  13           HB       VAL  13  -1.618  -1.927   1.655
  125   HG11  VAL  13          HG11      VAL  13  -2.867  -0.271   2.915
  126   HG12  VAL  13          HG12      VAL  13  -2.615  -1.728   3.874
  127   HG13  VAL  13          HG13      VAL  13  -4.188  -1.417   3.141
  128   HG21  VAL  13          HG21      VAL  13  -2.526  -4.042   1.018
  129   HG22  VAL  13          HG22      VAL  13  -4.000  -3.725   1.934
  130   HG23  VAL  13          HG23      VAL  13  -2.462  -3.920   2.775
  131    H    LYS  14           H        LYS  14  -3.484   0.938   0.591
  132    HA   LYS  14           HA       LYS  14  -5.870   1.539   1.785
  133    HB2  LYS  14           HB2      LYS  14  -4.272   2.907  -0.362
  134    HB3  LYS  14           HB3      LYS  14  -5.620   3.677   0.485
  135    HG2  LYS  14           HG2      LYS  14  -3.109   2.668   1.747
  136    HG3  LYS  14           HG3      LYS  14  -3.471   4.359   1.408
  137    HD2  LYS  14           HD2      LYS  14  -4.435   4.420   3.406
  138    HD3  LYS  14           HD3      LYS  14  -5.635   3.339   2.716
  139    HE2  LYS  14           HE2      LYS  14  -4.914   2.276   4.645
  140    HE3  LYS  14           HE3      LYS  14  -4.155   1.437   3.300
  141    HZ1  LYS  14           HZ1      LYS  14  -2.621   1.858   5.154
  142    HZ2  LYS  14           HZ2      LYS  14  -2.822   3.521   4.938
  143    HZ3  LYS  14           HZ3      LYS  14  -2.113   2.591   3.717
  144    H    LEU  15           H        LEU  15  -5.198   1.072  -1.703
  145    HA   LEU  15           HA       LEU  15  -8.017   1.343  -2.306
  146    HB2  LEU  15           HB2      LEU  15  -7.326   1.065  -4.633
  147    HB3  LEU  15           HB3      LEU  15  -6.387   2.297  -3.816
  148    HG   LEU  15           HG       LEU  15  -4.639   0.382  -3.495
  149   HD11  LEU  15          HD11      LEU  15  -4.612  -1.205  -5.360
  150   HD12  LEU  15          HD12      LEU  15  -6.192  -0.617  -5.880
  151   HD13  LEU  15          HD13      LEU  15  -6.024  -1.435  -4.327
  152   HD21  LEU  15          HD21      LEU  15  -3.617   1.001  -5.642
  153   HD22  LEU  15          HD22      LEU  15  -4.246   2.397  -4.772
  154   HD23  LEU  15          HD23      LEU  15  -5.138   1.736  -6.139
  155    H    PHE  16           H        PHE  16  -5.848  -1.093  -1.449
  156    HA   PHE  16           HA       PHE  16  -7.143  -3.305  -2.719
  157    HB2  PHE  16           HB2      PHE  16  -4.726  -3.126  -1.800
  158    HB3  PHE  16           HB3      PHE  16  -5.446  -3.481  -0.238
  159    HD1  PHE  16           HD1      PHE  16  -6.266  -5.673   0.285
  160    HD2  PHE  16           HD2      PHE  16  -4.692  -4.798  -3.572
  161    HE1  PHE  16           HE1      PHE  16  -6.140  -8.079  -0.207
  162    HE2  PHE  16           HE2      PHE  16  -4.566  -7.203  -4.070
  163    HZ   PHE  16           HZ       PHE  16  -5.290  -8.847  -2.387
  164    H    ASN  17           H        ASN  17  -7.302  -1.721   0.421
  165    HA   ASN  17           HA       ASN  17  -9.342  -3.603   1.324
  166    HB2  ASN  17           HB2      ASN  17  -7.759  -1.459   2.690
  167    HB3  ASN  17           HB3      ASN  17  -9.225  -2.099   3.432
  168   HD21  ASN  17          HD21      ASN  17  -6.008  -2.834   2.358
  169   HD22  ASN  17          HD22      ASN  17  -5.849  -4.319   3.224
  Start of MODEL    7
    1    H1   LEU   1           H1       LEU   1  18.377  -2.105  -0.405
    2    H2   LEU   1           H2       LEU   1  17.319  -2.560  -1.640
    3    H3   LEU   1           H3       LEU   1  17.160  -3.239  -0.101
    4    HA   LEU   1           HA       LEU   1  16.547  -1.136   0.829
    5    HB2  LEU   1           HB2      LEU   1  16.864  -0.173  -2.014
    6    HB3  LEU   1           HB3      LEU   1  16.090   0.752  -0.745
    7    HG   LEU   1           HG       LEU   1  18.977  -0.125  -0.714
    8   HD11  LEU   1          HD11      LEU   1  17.752   2.565  -1.285
    9   HD12  LEU   1          HD12      LEU   1  18.554   1.519  -2.457
   10   HD13  LEU   1          HD13      LEU   1  19.473   2.228  -1.130
   11   HD21  LEU   1          HD21      LEU   1  18.073   0.119   1.519
   12   HD22  LEU   1          HD22      LEU   1  17.414   1.701   1.105
   13   HD23  LEU   1          HD23      LEU   1  19.159   1.459   1.158
   14    H    MET   2           H        MET   2  14.832  -2.657   1.140
   15    HA   MET   2           HA       MET   2  12.764  -2.577  -0.954
   16    HB2  MET   2           HB2      MET   2  11.756  -4.518   0.129
   17    HB3  MET   2           HB3      MET   2  13.435  -4.834  -0.282
   18    HG2  MET   2           HG2      MET   2  14.123  -4.701   1.955
   19    HG3  MET   2           HG3      MET   2  12.618  -3.934   2.458
   20    HE1  MET   2           HE1      MET   2  14.177  -7.234   0.988
   21    HE2  MET   2           HE2      MET   2  12.776  -6.948  -0.041
   22    HE3  MET   2           HE3      MET   2  12.794  -8.326   1.057
   23    H    GLY   3           H        GLY   3  13.597  -1.046   1.834
   24    HA2  GLY   3           HA2      GLY   3  11.300  -0.989   3.414
   25    HA3  GLY   3           HA3      GLY   3  12.485   0.305   3.316
   26    H    LEU   4           H        LEU   4  12.105   0.852   0.547
   27    HA   LEU   4           HA       LEU   4  10.043   2.739   0.504
   28    HB2  LEU   4           HB2      LEU   4  10.823   1.261  -1.978
   29    HB3  LEU   4           HB3      LEU   4  10.430   2.956  -1.787
   30    HG   LEU   4           HG       LEU   4  12.856   2.139  -0.369
   31   HD11  LEU   4          HD11      LEU   4  12.808   0.691  -2.446
   32   HD12  LEU   4          HD12      LEU   4  14.203   1.771  -2.283
   33   HD13  LEU   4          HD13      LEU   4  12.883   2.193  -3.378
   34   HD21  LEU   4          HD21      LEU   4  13.669   4.204  -1.339
   35   HD22  LEU   4          HD22      LEU   4  12.069   4.453  -0.636
   36   HD23  LEU   4          HD23      LEU   4  12.250   4.297  -2.383
   37    H    PHE   5           H        PHE   5  10.229  -0.526  -0.768
   38    HA   PHE   5           HA       PHE   5   7.702  -0.446  -2.032
   39    HB2  PHE   5           HB2      PHE   5   9.807  -1.817  -2.630
   40    HB3  PHE   5           HB3      PHE   5   9.223  -2.958  -1.411
   41    HD1  PHE   5           HD1      PHE   5   7.603  -4.543  -1.935
   42    HD2  PHE   5           HD2      PHE   5   8.204  -1.225  -4.528
   43    HE1  PHE   5           HE1      PHE   5   6.080  -5.556  -3.579
   44    HE2  PHE   5           HE2      PHE   5   6.683  -2.233  -6.176
   45    HZ   PHE   5           HZ       PHE   5   5.618  -4.400  -5.703
   46    H    ASN   6           H        ASN   6   8.872  -1.771   1.043
   47    HA   ASN   6           HA       ASN   6   6.529  -3.126   1.797
   48    HB2  ASN   6           HB2      ASN   6   8.542  -1.658   3.496
   49    HB3  ASN   6           HB3      ASN   6   7.218  -2.600   4.165
   50   HD21  ASN   6          HD21      ASN   6   7.170  -4.862   3.797
   51   HD22  ASN   6          HD22      ASN   6   8.629  -5.730   3.465
   52    H    ARG   7           H        ARG   7   7.425   0.254   1.931
   53    HA   ARG   7           HA       ARG   7   5.175   1.056   3.434
   54    HB2  ARG   7           HB2      ARG   7   6.942   2.552   3.585
   55    HB3  ARG   7           HB3      ARG   7   7.321   2.436   1.876
   56    HG2  ARG   7           HG2      ARG   7   4.762   3.719   2.702
   57    HG3  ARG   7           HG3      ARG   7   6.280   4.609   2.871
   58    HD2  ARG   7           HD2      ARG   7   6.764   4.274   0.519
   59    HD3  ARG   7           HD3      ARG   7   5.306   3.297   0.341
   60    HE   ARG   7           HE       ARG   7   4.484   5.754   1.321
   61   HH11  ARG   7          HH11      ARG   7   6.145   4.600  -1.534
   62   HH12  ARG   7          HH12      ARG   7   5.480   5.827  -2.565
   63   HH21  ARG   7          HH21      ARG   7   3.622   7.372  -0.038
   64   HH22  ARG   7          HH22      ARG   7   4.057   7.407  -1.718
   65    H    ILE   8           H        ILE   8   5.917   0.683   0.042
   66    HA   ILE   8           HA       ILE   8   3.579   1.864  -1.019
   67    HB   ILE   8           HB       ILE   8   5.323  -0.314  -2.184
   68   HG12  ILE   8          HG12      ILE   8   5.304   2.678  -2.646
   69   HG13  ILE   8          HG13      ILE   8   6.509   1.798  -1.712
   70   HG21  ILE   8          HG21      ILE   8   4.354   0.269  -4.341
   71   HG22  ILE   8          HG22      ILE   8   3.302   1.453  -3.564
   72   HG23  ILE   8          HG23      ILE   8   3.097  -0.266  -3.221
   73   HD11  ILE   8          HD11      ILE   8   7.334   2.343  -3.925
   74   HD12  ILE   8          HD12      ILE   8   5.978   1.484  -4.657
   75   HD13  ILE   8          HD13      ILE   8   7.186   0.597  -3.728
   76    H    ILE   9           H        ILE   9   4.248  -1.279   0.362
   77    HA   ILE   9           HA       ILE   9   2.088  -2.723  -0.685
   78    HB   ILE   9           HB       ILE   9   3.260  -3.052   2.077
   79   HG12  ILE   9          HG12      ILE   9   5.053  -3.096   0.444
   80   HG13  ILE   9          HG13      ILE   9   4.764  -4.719   1.058
   81   HG21  ILE   9          HG21      ILE   9   1.851  -5.021   0.290
   82   HG22  ILE   9          HG22      ILE   9   1.178  -4.263   1.733
   83   HG23  ILE   9          HG23      ILE   9   2.544  -5.371   1.874
   84   HD11  ILE   9          HD11      ILE   9   5.181  -4.669  -1.349
   85   HD12  ILE   9          HD12      ILE   9   3.754  -3.651  -1.560
   86   HD13  ILE   9          HD13      ILE   9   3.580  -5.299  -0.957
   87    H    ARG  10           H        ARG  10   2.336  -0.601   2.117
   88    HA   ARG  10           HA       ARG  10  -0.431  -0.998   2.841
   89    HB2  ARG  10           HB2      ARG  10   1.891   0.406   3.967
   90    HB3  ARG  10           HB3      ARG  10   0.350   1.197   4.249
   91    HG2  ARG  10           HG2      ARG  10   1.175  -0.400   6.026
   92    HG3  ARG  10           HG3      ARG  10  -0.482  -0.620   5.465
   93    HD2  ARG  10           HD2      ARG  10  -0.000  -2.559   4.369
   94    HD3  ARG  10           HD3      ARG  10   1.686  -2.139   4.110
   95    HE   ARG  10           HE       ARG  10   1.675  -2.438   6.739
   96   HH11  ARG  10          HH11      ARG  10   0.150  -4.457   4.312
   97   HH12  ARG  10          HH12      ARG  10   0.313  -5.905   5.248
   98   HH21  ARG  10          HH21      ARG  10   1.890  -4.356   7.956
   99   HH22  ARG  10          HH22      ARG  10   1.298  -5.852   7.303
  100    H    LYS  11           H        LYS  11   1.430   1.200   0.926
  101    HA   LYS  11           HA       LYS  11  -0.493   3.273   0.729
  102    HB2  LYS  11           HB2      LYS  11   1.854   3.564   0.036
  103    HB3  LYS  11           HB3      LYS  11   1.616   2.393  -1.255
  104    HG2  LYS  11           HG2      LYS  11  -0.090   3.901  -2.236
  105    HG3  LYS  11           HG3      LYS  11   0.317   5.095  -1.003
  106    HD2  LYS  11           HD2      LYS  11   2.589   5.214  -1.817
  107    HD3  LYS  11           HD3      LYS  11   2.269   3.928  -2.982
  108    HE2  LYS  11           HE2      LYS  11   1.028   6.675  -2.934
  109    HE3  LYS  11           HE3      LYS  11   2.207   6.071  -4.094
  110    HZ1  LYS  11           HZ1      LYS  11  -0.568   5.076  -3.739
  111    HZ2  LYS  11           HZ2      LYS  11   0.569   4.418  -4.803
  112    HZ3  LYS  11           HZ3      LYS  11   0.012   5.995  -5.035
  113    H    VAL  12           H        VAL  12   0.120   0.314  -1.067
  114    HA   VAL  12           HA       VAL  12  -2.075   0.725  -2.881
  115    HB   VAL  12           HB       VAL  12  -0.348  -1.698  -2.358
  116   HG11  VAL  12          HG11      VAL  12  -2.599  -2.259  -3.259
  117   HG12  VAL  12          HG12      VAL  12  -1.282  -2.658  -4.368
  118   HG13  VAL  12          HG13      VAL  12  -2.264  -1.218  -4.644
  119   HG21  VAL  12          HG21      VAL  12  -0.314   0.350  -4.576
  120   HG22  VAL  12          HG22      VAL  12   0.697  -1.094  -4.500
  121   HG23  VAL  12          HG23      VAL  12   0.882   0.177  -3.290
  122    H    VAL  13           H        VAL  13  -1.654  -0.709   0.244
  123    HA   VAL  13           HA       VAL  13  -3.810  -2.540   0.135
  124    HB   VAL  13           HB       VAL  13  -1.768  -2.027   1.901
  125   HG11  VAL  13          HG11      VAL  13  -2.938  -0.209   2.989
  126   HG12  VAL  13          HG12      VAL  13  -2.797  -1.587   4.081
  127   HG13  VAL  13          HG13      VAL  13  -4.332  -1.250   3.279
  128   HG21  VAL  13          HG21      VAL  13  -2.761  -4.152   1.467
  129   HG22  VAL  13          HG22      VAL  13  -4.238  -3.679   2.304
  130   HG23  VAL  13          HG23      VAL  13  -2.731  -3.857   3.203
  131    H    LYS  14           H        LYS  14  -3.430   0.790   0.595
  132    HA   LYS  14           HA       LYS  14  -5.917   1.432   1.758
  133    HB2  LYS  14           HB2      LYS  14  -3.855   2.946   0.186
  134    HB3  LYS  14           HB3      LYS  14  -5.321   3.730   0.782
  135    HG2  LYS  14           HG2      LYS  14  -3.195   2.390   2.444
  136    HG3  LYS  14           HG3      LYS  14  -3.444   4.124   2.272
  137    HD2  LYS  14           HD2      LYS  14  -5.503   2.233   3.393
  138    HD3  LYS  14           HD3      LYS  14  -4.352   3.125   4.384
  139    HE2  LYS  14           HE2      LYS  14  -6.322   4.385   2.489
  140    HE3  LYS  14           HE3      LYS  14  -6.575   4.211   4.224
  141    HZ1  LYS  14           HZ1      LYS  14  -4.406   5.767   2.920
  142    HZ2  LYS  14           HZ2      LYS  14  -4.589   5.568   4.589
  143    HZ3  LYS  14           HZ3      LYS  14  -5.761   6.405   3.704
  144    H    LEU  15           H        LEU  15  -4.828   0.958  -1.586
  145    HA   LEU  15           HA       LEU  15  -7.460   1.749  -2.535
  146    HB2  LEU  15           HB2      LEU  15  -6.569   1.504  -4.757
  147    HB3  LEU  15           HB3      LEU  15  -5.464   2.439  -3.776
  148    HG   LEU  15           HG       LEU  15  -4.225   0.154  -3.475
  149   HD11  LEU  15          HD11      LEU  15  -4.366  -1.263  -5.465
  150   HD12  LEU  15          HD12      LEU  15  -5.712  -0.292  -6.060
  151   HD13  LEU  15          HD13      LEU  15  -5.890  -1.232  -4.579
  152   HD21  LEU  15          HD21      LEU  15  -3.282   2.123  -4.532
  153   HD22  LEU  15          HD22      LEU  15  -4.146   1.756  -6.025
  154   HD23  LEU  15          HD23      LEU  15  -2.876   0.675  -5.454
  155    H    PHE  16           H        PHE  16  -5.804  -1.017  -1.493
  156    HA   PHE  16           HA       PHE  16  -7.339  -2.937  -2.982
  157    HB2  PHE  16           HB2      PHE  16  -5.014  -3.291  -1.989
  158    HB3  PHE  16           HB3      PHE  16  -5.807  -3.423  -0.426
  159    HD1  PHE  16           HD1      PHE  16  -6.591  -5.475   0.309
  160    HD2  PHE  16           HD2      PHE  16  -5.833  -4.899  -3.839
  161    HE1  PHE  16           HE1      PHE  16  -7.010  -7.865  -0.096
  162    HE2  PHE  16           HE2      PHE  16  -6.254  -7.287  -4.249
  163    HZ   PHE  16           HZ       PHE  16  -6.844  -8.773  -2.377
  164    H    ASN  17           H        ASN  17  -7.336  -1.700   0.344
  165    HA   ASN  17           HA       ASN  17  -9.923  -2.981   0.839
  166    HB2  ASN  17           HB2      ASN  17  -7.918  -1.632   2.640
  167    HB3  ASN  17           HB3      ASN  17  -9.550  -1.984   3.189
  168   HD21  ASN  17          HD21      ASN  17  -7.877  -4.074   0.970
  169   HD22  ASN  17          HD22      ASN  17  -7.622  -5.374   2.078
  Start of MODEL    8
    1    H1   LEU   1           H1       LEU   1  16.267  -1.317  -2.082
    2    H2   LEU   1           H2       LEU   1  15.597  -2.361  -0.940
    3    H3   LEU   1           H3       LEU   1  15.445  -0.692  -0.745
    4    HA   LEU   1           HA       LEU   1  14.095  -0.536  -2.713
    5    HB2  LEU   1           HB2      LEU   1  14.408  -3.535  -2.738
    6    HB3  LEU   1           HB3      LEU   1  13.236  -2.660  -3.703
    7    HG   LEU   1           HG       LEU   1  16.239  -2.436  -3.932
    8   HD11  LEU   1          HD11      LEU   1  15.897  -3.502  -6.112
    9   HD12  LEU   1          HD12      LEU   1  14.182  -3.688  -5.746
   10   HD13  LEU   1          HD13      LEU   1  15.386  -4.544  -4.784
   11   HD21  LEU   1          HD21      LEU   1  15.183  -0.315  -4.444
   12   HD22  LEU   1          HD22      LEU   1  14.035  -1.118  -5.512
   13   HD23  LEU   1          HD23      LEU   1  15.747  -1.080  -5.929
   14    H    MET   2           H        MET   2  14.029  -2.928  -0.112
   15    HA   MET   2           HA       MET   2  11.225  -3.103   0.108
   16    HB2  MET   2           HB2      MET   2  13.434  -3.651   2.083
   17    HB3  MET   2           HB3      MET   2  11.736  -3.922   2.453
   18    HG2  MET   2           HG2      MET   2  11.575  -5.504   0.611
   19    HG3  MET   2           HG3      MET   2  13.267  -5.220   0.213
   20    HE1  MET   2           HE1      MET   2  13.534  -7.907   0.288
   21    HE2  MET   2           HE2      MET   2  11.857  -8.086   0.795
   22    HE3  MET   2           HE3      MET   2  13.142  -8.877   1.707
   23    H    GLY   3           H        GLY   3  13.547  -0.816   1.367
   24    HA2  GLY   3           HA2      GLY   3  12.024   0.452   3.325
   25    HA3  GLY   3           HA3      GLY   3  13.243   1.243   2.336
   26    H    LEU   4           H        LEU   4  11.854   0.690  -0.158
   27    HA   LEU   4           HA       LEU   4   9.820   2.768  -0.075
   28    HB2  LEU   4           HB2      LEU   4  10.355   1.125  -2.497
   29    HB3  LEU   4           HB3      LEU   4   9.957   2.827  -2.378
   30    HG   LEU   4           HG       LEU   4  12.546   2.120  -1.230
   31   HD11  LEU   4          HD11      LEU   4  13.655   1.697  -3.304
   32   HD12  LEU   4          HD12      LEU   4  12.173   1.977  -4.216
   33   HD13  LEU   4          HD13      LEU   4  12.311   0.550  -3.181
   34   HD21  LEU   4          HD21      LEU   4  11.707   4.408  -1.512
   35   HD22  LEU   4          HD22      LEU   4  11.660   4.164  -3.260
   36   HD23  LEU   4          HD23      LEU   4  13.203   4.138  -2.407
   37    H    PHE   5           H        PHE   5  10.201  -0.574  -1.067
   38    HA   PHE   5           HA       PHE   5   7.676  -0.960  -2.134
   39    HB2  PHE   5           HB2      PHE   5   9.777  -2.323  -2.464
   40    HB3  PHE   5           HB3      PHE   5   9.406  -3.104  -0.923
   41    HD1  PHE   5           HD1      PHE   5   7.580  -2.251  -4.063
   42    HD2  PHE   5           HD2      PHE   5   8.395  -5.142  -1.052
   43    HE1  PHE   5           HE1      PHE   5   6.116  -3.855  -5.215
   44    HE2  PHE   5           HE2      PHE   5   6.932  -6.754  -2.198
   45    HZ   PHE   5           HZ       PHE   5   5.789  -6.111  -4.283
   46    H    ASN   6           H        ASN   6   8.830  -1.690   1.170
   47    HA   ASN   6           HA       ASN   6   6.561  -3.116   1.995
   48    HB2  ASN   6           HB2      ASN   6   8.430  -1.403   3.639
   49    HB3  ASN   6           HB3      ASN   6   7.212  -2.471   4.320
   50   HD21  ASN   6          HD21      ASN   6  10.098  -2.534   4.637
   51   HD22  ASN   6          HD22      ASN   6  10.608  -4.094   4.096
   52    H    ARG   7           H        ARG   7   7.274   0.366   2.235
   53    HA   ARG   7           HA       ARG   7   4.788   0.883   3.501
   54    HB2  ARG   7           HB2      ARG   7   5.310   3.251   3.281
   55    HB3  ARG   7           HB3      ARG   7   6.676   2.353   3.924
   56    HG2  ARG   7           HG2      ARG   7   7.710   3.711   2.410
   57    HG3  ARG   7           HG3      ARG   7   7.410   2.267   1.439
   58    HD2  ARG   7           HD2      ARG   7   6.765   4.121   0.108
   59    HD3  ARG   7           HD3      ARG   7   5.282   3.339   0.671
   60    HE   ARG   7           HE       ARG   7   5.294   5.146   2.448
   61   HH11  ARG   7          HH11      ARG   7   6.757   5.639  -0.696
   62   HH12  ARG   7          HH12      ARG   7   6.423   7.337  -0.722
   63   HH21  ARG   7          HH21      ARG   7   4.871   7.395   2.415
   64   HH22  ARG   7          HH22      ARG   7   5.359   8.338   1.043
   65    H    ILE   8           H        ILE   8   5.873   0.627   0.248
   66    HA   ILE   8           HA       ILE   8   3.668   1.860  -1.031
   67    HB   ILE   8           HB       ILE   8   5.492  -0.358  -1.973
   68   HG12  ILE   8          HG12      ILE   8   6.600   1.804  -1.665
   69   HG13  ILE   8          HG13      ILE   8   6.493   1.399  -3.374
   70   HG21  ILE   8          HG21      ILE   8   3.308  -0.493  -3.100
   71   HG22  ILE   8          HG22      ILE   8   4.606  -0.037  -4.205
   72   HG23  ILE   8          HG23      ILE   8   3.484   1.188  -3.611
   73   HD11  ILE   8          HD11      ILE   8   4.558   2.903  -3.580
   74   HD12  ILE   8          HD12      ILE   8   6.021   3.731  -3.047
   75   HD13  ILE   8          HD13      ILE   8   4.754   3.348  -1.883
   76    H    ILE   9           H        ILE   9   4.272  -1.425   0.152
   77    HA   ILE   9           HA       ILE   9   1.989  -2.684  -0.830
   78    HB   ILE   9           HB       ILE   9   3.053  -3.212   1.936
   79   HG12  ILE   9          HG12      ILE   9   4.993  -3.149   0.491
   80   HG13  ILE   9          HG13      ILE   9   4.634  -4.815   0.927
   81   HG21  ILE   9          HG21      ILE   9   1.023  -4.392   1.348
   82   HG22  ILE   9          HG22      ILE   9   2.375  -5.518   1.458
   83   HG23  ILE   9          HG23      ILE   9   1.783  -5.004  -0.122
   84   HD11  ILE   9          HD11      ILE   9   5.283  -4.557  -1.411
   85   HD12  ILE   9          HD12      ILE   9   3.886  -3.508  -1.668
   86   HD13  ILE   9          HD13      ILE   9   3.648  -5.199  -1.233
   87    H    ARG  10           H        ARG  10   2.477  -0.833   2.125
   88    HA   ARG  10           HA       ARG  10  -0.174  -1.120   3.063
   89    HB2  ARG  10           HB2      ARG  10   1.675   1.135   3.799
   90    HB3  ARG  10           HB3      ARG  10   0.426   0.389   4.784
   91    HG2  ARG  10           HG2      ARG  10   3.102  -0.722   4.028
   92    HG3  ARG  10           HG3      ARG  10   2.491  -0.358   5.641
   93    HD2  ARG  10           HD2      ARG  10   0.699  -2.126   5.115
   94    HD3  ARG  10           HD3      ARG  10   1.763  -2.607   3.800
   95    HE   ARG  10           HE       ARG  10   2.854  -2.485   6.515
   96   HH11  ARG  10          HH11      ARG  10   1.837  -4.408   3.775
   97   HH12  ARG  10          HH12      ARG  10   2.683  -5.827   4.295
   98   HH21  ARG  10          HH21      ARG  10   3.938  -4.363   7.221
   99   HH22  ARG  10          HH22      ARG  10   3.851  -5.811   6.269
  100    H    LYS  11           H        LYS  11   1.458   1.168   1.008
  101    HA   LYS  11           HA       LYS  11  -0.577   3.165   1.043
  102    HB2  LYS  11           HB2      LYS  11   1.821   3.547   0.375
  103    HB3  LYS  11           HB3      LYS  11   1.499   2.641  -1.097
  104    HG2  LYS  11           HG2      LYS  11   1.420   5.008  -1.540
  105    HG3  LYS  11           HG3      LYS  11  -0.185   4.302  -1.744
  106    HD2  LYS  11           HD2      LYS  11  -0.813   5.095   0.486
  107    HD3  LYS  11           HD3      LYS  11   0.792   5.797   0.689
  108    HE2  LYS  11           HE2      LYS  11  -1.198   6.566  -1.442
  109    HE3  LYS  11           HE3      LYS  11  -0.895   7.468   0.041
  110    HZ1  LYS  11           HZ1      LYS  11   1.045   6.974  -2.147
  111    HZ2  LYS  11           HZ2      LYS  11   1.413   7.754  -0.697
  112    HZ3  LYS  11           HZ3      LYS  11   0.306   8.446  -1.770
  113    H    VAL  12           H        VAL  12   0.161   0.369  -0.919
  114    HA   VAL  12           HA       VAL  12  -1.962   0.778  -2.797
  115    HB   VAL  12           HB       VAL  12  -0.242  -1.628  -2.177
  116   HG11  VAL  12          HG11      VAL  12  -1.132  -2.597  -4.262
  117   HG12  VAL  12          HG12      VAL  12  -2.253  -1.240  -4.401
  118   HG13  VAL  12          HG13      VAL  12  -2.399  -2.364  -3.054
  119   HG21  VAL  12          HG21      VAL  12   0.825  -1.086  -4.315
  120   HG22  VAL  12          HG22      VAL  12   0.942   0.259  -3.180
  121   HG23  VAL  12          HG23      VAL  12  -0.235   0.314  -4.493
  122    H    VAL  13           H        VAL  13  -1.665  -0.718   0.326
  123    HA   VAL  13           HA       VAL  13  -3.847  -2.503   0.108
  124    HB   VAL  13           HB       VAL  13  -1.862  -1.996   1.974
  125   HG11  VAL  13          HG11      VAL  13  -3.004  -1.687   4.110
  126   HG12  VAL  13          HG12      VAL  13  -4.519  -1.401   3.256
  127   HG13  VAL  13          HG13      VAL  13  -3.170  -0.279   3.062
  128   HG21  VAL  13          HG21      VAL  13  -2.805  -3.930   3.146
  129   HG22  VAL  13          HG22      VAL  13  -2.730  -4.148   1.398
  130   HG23  VAL  13          HG23      VAL  13  -4.269  -3.779   2.176
  131    H    LYS  14           H        LYS  14  -3.453   0.818   0.599
  132    HA   LYS  14           HA       LYS  14  -5.948   1.488   1.720
  133    HB2  LYS  14           HB2      LYS  14  -3.852   2.937   0.147
  134    HB3  LYS  14           HB3      LYS  14  -5.345   3.752   0.619
  135    HG2  LYS  14           HG2      LYS  14  -3.262   2.552   2.434
  136    HG3  LYS  14           HG3      LYS  14  -3.601   4.264   2.196
  137    HD2  LYS  14           HD2      LYS  14  -5.434   2.217   3.444
  138    HD3  LYS  14           HD3      LYS  14  -4.572   3.505   4.281
  139    HE2  LYS  14           HE2      LYS  14  -5.844   5.170   3.015
  140    HE3  LYS  14           HE3      LYS  14  -6.707   3.876   2.188
  141    HZ1  LYS  14           HZ1      LYS  14  -8.016   4.759   4.004
  142    HZ2  LYS  14           HZ2      LYS  14  -6.780   4.422   5.105
  143    HZ3  LYS  14           HZ3      LYS  14  -7.588   3.156   4.330
  144    H    LEU  15           H        LEU  15  -4.826   0.995  -1.621
  145    HA   LEU  15           HA       LEU  15  -7.462   1.729  -2.607
  146    HB2  LEU  15           HB2      LEU  15  -6.516   1.474  -4.821
  147    HB3  LEU  15           HB3      LEU  15  -5.481   2.470  -3.822
  148    HG   LEU  15           HG       LEU  15  -4.174   0.224  -3.447
  149   HD11  LEU  15          HD11      LEU  15  -4.172  -1.204  -5.415
  150   HD12  LEU  15          HD12      LEU  15  -5.486  -0.261  -6.116
  151   HD13  LEU  15          HD13      LEU  15  -5.760  -1.196  -4.647
  152   HD21  LEU  15          HD21      LEU  15  -2.748   0.805  -5.352
  153   HD22  LEU  15          HD22      LEU  15  -3.252   2.232  -4.449
  154   HD23  LEU  15          HD23      LEU  15  -4.025   1.844  -5.985
  155    H    PHE  16           H        PHE  16  -5.708  -1.010  -1.616
  156    HA   PHE  16           HA       PHE  16  -7.180  -2.967  -3.109
  157    HB2  PHE  16           HB2      PHE  16  -4.852  -3.230  -2.082
  158    HB3  PHE  16           HB3      PHE  16  -5.668  -3.426  -0.537
  159    HD1  PHE  16           HD1      PHE  16  -5.008  -4.923  -3.798
  160    HD2  PHE  16           HD2      PHE  16  -6.923  -5.432  -0.035
  161    HE1  PHE  16           HE1      PHE  16  -5.290  -7.318  -4.272
  162    HE2  PHE  16           HE2      PHE  16  -7.203  -7.831  -0.501
  163    HZ   PHE  16           HZ       PHE  16  -6.386  -8.776  -2.619
  164    H    ASN  17           H        ASN  17  -7.271  -1.698   0.194
  165    HA   ASN  17           HA       ASN  17  -9.648  -3.273   0.820
  166    HB2  ASN  17           HB2      ASN  17  -7.894  -1.437   2.455
  167    HB3  ASN  17           HB3      ASN  17  -9.410  -2.076   3.073
  168   HD21  ASN  17          HD21      ASN  17  -7.388  -3.945   0.956
  169   HD22  ASN  17          HD22      ASN  17  -6.848  -5.078   2.143
  Start of MODEL    9
    1    H1   LEU   1           H1       LEU   1  16.150  -2.971  -2.116
    2    H2   LEU   1           H2       LEU   1  14.563  -2.567  -2.530
    3    H3   LEU   1           H3       LEU   1  14.865  -3.921  -1.567
    4    HA   LEU   1           HA       LEU   1  15.690  -2.545   0.200
    5    HB2  LEU   1           HB2      LEU   1  14.965  -0.302  -1.684
    6    HB3  LEU   1           HB3      LEU   1  15.334  -0.079   0.012
    7    HG   LEU   1           HG       LEU   1  17.250  -1.158  -2.058
    8   HD11  LEU   1          HD11      LEU   1  18.417   0.973  -1.755
    9   HD12  LEU   1          HD12      LEU   1  17.120   1.526  -0.696
   10   HD13  LEU   1          HD13      LEU   1  16.789   1.200  -2.395
   11   HD21  LEU   1          HD21      LEU   1  17.648  -0.468   0.853
   12   HD22  LEU   1          HD22      LEU   1  18.928  -0.895  -0.281
   13   HD23  LEU   1          HD23      LEU   1  17.696  -2.082   0.142
   14    H    MET   2           H        MET   2  14.144  -3.179   1.539
   15    HA   MET   2           HA       MET   2  11.411  -3.249   0.797
   16    HB2  MET   2           HB2      MET   2  10.979  -4.138   2.996
   17    HB3  MET   2           HB3      MET   2  12.439  -4.873   2.354
   18    HG2  MET   2           HG2      MET   2  13.806  -3.442   3.737
   19    HG3  MET   2           HG3      MET   2  12.374  -2.603   4.327
   20    HE1  MET   2           HE1      MET   2  13.599  -4.621   7.464
   21    HE2  MET   2           HE2      MET   2  13.168  -3.030   6.838
   22    HE3  MET   2           HE3      MET   2  14.601  -3.860   6.229
   23    H    GLY   3           H        GLY   3  13.345  -0.822   2.259
   24    HA2  GLY   3           HA2      GLY   3  11.564   0.565   3.864
   25    HA3  GLY   3           HA3      GLY   3  12.842   1.320   2.926
   26    H    LEU   4           H        LEU   4  11.926   0.730   0.353
   27    HA   LEU   4           HA       LEU   4   9.869   2.725   0.053
   28    HB2  LEU   4           HB2      LEU   4  10.709   0.950  -2.181
   29    HB3  LEU   4           HB3      LEU   4  10.318   2.658  -2.205
   30    HG   LEU   4           HG       LEU   4  12.718   1.982  -0.673
   31   HD11  LEU   4          HD11      LEU   4  12.739   1.725  -3.678
   32   HD12  LEU   4          HD12      LEU   4  12.741   0.347  -2.571
   33   HD13  LEU   4          HD13      LEU   4  14.094   1.490  -2.569
   34   HD21  LEU   4          HD21      LEU   4  11.977   4.270  -1.137
   35   HD22  LEU   4          HD22      LEU   4  12.131   3.968  -2.868
   36   HD23  LEU   4          HD23      LEU   4  13.562   3.947  -1.838
   37    H    PHE   5           H        PHE   5  10.286  -0.676  -0.718
   38    HA   PHE   5           HA       PHE   5   7.882  -1.021  -2.081
   39    HB2  PHE   5           HB2      PHE   5  10.022  -2.416  -2.136
   40    HB3  PHE   5           HB3      PHE   5   9.393  -3.216  -0.692
   41    HD1  PHE   5           HD1      PHE   5   8.363  -2.354  -4.167
   42    HD2  PHE   5           HD2      PHE   5   8.086  -5.092  -0.922
   43    HE1  PHE   5           HE1      PHE   5   7.051  -3.885  -5.576
   44    HE2  PHE   5           HE2      PHE   5   6.770  -6.625  -2.323
   45    HZ   PHE   5           HZ       PHE   5   6.252  -6.024  -4.655
   46    H    ASN   6           H        ASN   6   8.741  -1.880   1.276
   47    HA   ASN   6           HA       ASN   6   6.302  -3.064   1.993
   48    HB2  ASN   6           HB2      ASN   6   8.273  -1.505   3.669
   49    HB3  ASN   6           HB3      ASN   6   6.905  -2.382   4.337
   50   HD21  ASN   6          HD21      ASN   6   8.390  -3.629   5.547
   51   HD22  ASN   6          HD22      ASN   6   9.266  -4.928   4.810
   52    H    ARG   7           H        ARG   7   7.356   0.284   2.019
   53    HA   ARG   7           HA       ARG   7   5.069   1.317   3.290
   54    HB2  ARG   7           HB2      ARG   7   6.906   2.721   3.425
   55    HB3  ARG   7           HB3      ARG   7   7.390   2.422   1.768
   56    HG2  ARG   7           HG2      ARG   7   4.907   3.978   2.341
   57    HG3  ARG   7           HG3      ARG   7   6.493   4.747   2.451
   58    HD2  ARG   7           HD2      ARG   7   6.935   3.835   0.130
   59    HD3  ARG   7           HD3      ARG   7   5.220   3.434   0.066
   60    HE   ARG   7           HE       ARG   7   5.476   6.132   0.782
   61   HH11  ARG   7          HH11      ARG   7   6.039   4.057  -1.982
   62   HH12  ARG   7          HH12      ARG   7   5.784   5.319  -3.144
   63   HH21  ARG   7          HH21      ARG   7   5.150   7.792  -0.741
   64   HH22  ARG   7          HH22      ARG   7   5.289   7.446  -2.437
   65    H    ILE   8           H        ILE   8   5.968   0.665  -0.021
   66    HA   ILE   8           HA       ILE   8   3.771   1.891  -1.304
   67    HB   ILE   8           HB       ILE   8   5.424  -0.482  -2.185
   68   HG12  ILE   8          HG12      ILE   8   5.606   2.445  -2.932
   69   HG13  ILE   8          HG13      ILE   8   6.709   1.601  -1.851
   70   HG21  ILE   8          HG21      ILE   8   4.585  -0.022  -4.434
   71   HG22  ILE   8          HG22      ILE   8   3.551   1.253  -3.790
   72   HG23  ILE   8          HG23      ILE   8   3.268  -0.425  -3.329
   73   HD11  ILE   8          HD11      ILE   8   7.389   0.151  -3.700
   74   HD12  ILE   8          HD12      ILE   8   7.684   1.854  -4.046
   75   HD13  ILE   8          HD13      ILE   8   6.305   1.030  -4.776
   76    H    ILE   9           H        ILE   9   4.270  -1.353   0.033
   77    HA   ILE   9           HA       ILE   9   1.984  -2.595  -0.963
   78    HB   ILE   9           HB       ILE   9   3.032  -3.108   1.814
   79   HG12  ILE   9          HG12      ILE   9   4.975  -3.076   0.363
   80   HG13  ILE   9          HG13      ILE   9   4.607  -4.729   0.834
   81   HG21  ILE   9          HG21      ILE   9   1.762  -4.919  -0.227
   82   HG22  ILE   9          HG22      ILE   9   0.985  -4.266   1.213
   83   HG23  ILE   9          HG23      ILE   9   2.321  -5.403   1.373
   84   HD11  ILE   9          HD11      ILE   9   5.261  -4.530  -1.504
   85   HD12  ILE   9          HD12      ILE   9   3.877  -3.473  -1.789
   86   HD13  ILE   9          HD13      ILE   9   3.620  -5.154  -1.319
   87    H    ARG  10           H        ARG  10   2.461  -0.733   1.997
   88    HA   ARG  10           HA       ARG  10  -0.203  -1.008   2.881
   89    HB2  ARG  10           HB2      ARG  10   1.660   1.231   3.647
   90    HB3  ARG  10           HB3      ARG  10   0.349   0.544   4.594
   91    HG2  ARG  10           HG2      ARG  10   3.027  -0.645   3.983
   92    HG3  ARG  10           HG3      ARG  10   2.322  -0.277   5.557
   93    HD2  ARG  10           HD2      ARG  10   0.531  -1.992   4.919
   94    HD3  ARG  10           HD3      ARG  10   1.643  -2.490   3.651
   95    HE   ARG  10           HE       ARG  10   3.279  -2.777   5.596
   96   HH11  ARG  10          HH11      ARG  10  -0.168  -3.316   5.846
   97   HH12  ARG  10          HH12      ARG  10  -0.022  -4.508   7.097
   98   HH21  ARG  10          HH21      ARG  10   3.480  -4.337   7.255
   99   HH22  ARG  10          HH22      ARG  10   2.053  -5.091   7.895
  100    H    LYS  11           H        LYS  11   1.414   1.291   0.808
  101    HA   LYS  11           HA       LYS  11  -0.661   3.264   0.921
  102    HB2  LYS  11           HB2      LYS  11   1.715   3.757   0.269
  103    HB3  LYS  11           HB3      LYS  11   1.432   2.888  -1.233
  104    HG2  LYS  11           HG2      LYS  11  -0.183   4.493  -1.947
  105    HG3  LYS  11           HG3      LYS  11  -0.167   5.287  -0.372
  106    HD2  LYS  11           HD2      LYS  11   1.124   6.612  -1.891
  107    HD3  LYS  11           HD3      LYS  11   2.232   5.848  -0.753
  108    HE2  LYS  11           HE2      LYS  11   3.173   5.718  -2.954
  109    HE3  LYS  11           HE3      LYS  11   2.688   4.100  -2.454
  110    HZ1  LYS  11           HZ1      LYS  11   1.107   5.882  -4.227
  111    HZ2  LYS  11           HZ2      LYS  11   0.711   4.294  -3.803
  112    HZ3  LYS  11           HZ3      LYS  11   2.076   4.599  -4.755
  113    H    VAL  12           H        VAL  12   0.079   0.481  -1.026
  114    HA   VAL  12           HA       VAL  12  -2.062   0.920  -2.897
  115    HB   VAL  12           HB       VAL  12  -0.291  -1.470  -2.372
  116   HG11  VAL  12          HG11      VAL  12  -2.230  -1.051  -4.654
  117   HG12  VAL  12          HG12      VAL  12  -2.537  -2.091  -3.266
  118   HG13  VAL  12          HG13      VAL  12  -1.213  -2.467  -4.376
  119   HG21  VAL  12          HG21      VAL  12   0.861   0.457  -3.326
  120   HG22  VAL  12          HG22      VAL  12  -0.338   0.555  -4.615
  121   HG23  VAL  12          HG23      VAL  12   0.735  -0.840  -4.512
  122    H    VAL  13           H        VAL  13  -1.620  -0.754   0.136
  123    HA   VAL  13           HA       VAL  13  -3.806  -2.526  -0.085
  124    HB   VAL  13           HB       VAL  13  -1.738  -2.168   1.696
  125   HG11  VAL  13          HG11      VAL  13  -2.724  -1.902   3.909
  126   HG12  VAL  13          HG12      VAL  13  -4.286  -1.538   3.176
  127   HG13  VAL  13          HG13      VAL  13  -2.921  -0.447   2.932
  128   HG21  VAL  13          HG21      VAL  13  -2.689  -4.107   2.850
  129   HG22  VAL  13          HG22      VAL  13  -2.725  -4.253   1.094
  130   HG23  VAL  13          HG23      VAL  13  -4.200  -3.860   1.975
  131    H    LYS  14           H        LYS  14  -3.403   0.756   0.612
  132    HA   LYS  14           HA       LYS  14  -5.847   1.351   1.852
  133    HB2  LYS  14           HB2      LYS  14  -3.845   2.891   0.240
  134    HB3  LYS  14           HB3      LYS  14  -5.307   3.670   0.851
  135    HG2  LYS  14           HG2      LYS  14  -3.141   2.353   2.483
  136    HG3  LYS  14           HG3      LYS  14  -3.420   4.083   2.319
  137    HD2  LYS  14           HD2      LYS  14  -5.362   2.115   3.523
  138    HD3  LYS  14           HD3      LYS  14  -4.285   3.165   4.440
  139    HE2  LYS  14           HE2      LYS  14  -6.390   4.126   2.512
  140    HE3  LYS  14           HE3      LYS  14  -6.601   4.034   4.258
  141    HZ1  LYS  14           HZ1      LYS  14  -5.996   6.263   3.559
  142    HZ2  LYS  14           HZ2      LYS  14  -4.576   5.687   2.847
  143    HZ3  LYS  14           HZ3      LYS  14  -4.774   5.597   4.521
  144    H    LEU  15           H        LEU  15  -4.915   0.991  -1.567
  145    HA   LEU  15           HA       LEU  15  -7.620   1.735  -2.365
  146    HB2  LEU  15           HB2      LEU  15  -6.824   1.589  -4.633
  147    HB3  LEU  15           HB3      LEU  15  -5.702   2.528  -3.673
  148    HG   LEU  15           HG       LEU  15  -4.388   0.268  -3.499
  149   HD11  LEU  15          HD11      LEU  15  -5.921  -0.130  -6.065
  150   HD12  LEU  15          HD12      LEU  15  -6.089  -1.104  -4.604
  151   HD13  LEU  15          HD13      LEU  15  -4.567  -1.105  -5.496
  152   HD21  LEU  15          HD21      LEU  15  -4.454   1.965  -5.987
  153   HD22  LEU  15          HD22      LEU  15  -3.136   0.897  -5.509
  154   HD23  LEU  15          HD23      LEU  15  -3.539   2.297  -4.516
  155    H    PHE  16           H        PHE  16  -5.813  -0.982  -1.516
  156    HA   PHE  16           HA       PHE  16  -7.246  -2.940  -3.040
  157    HB2  PHE  16           HB2      PHE  16  -4.878  -3.138  -2.101
  158    HB3  PHE  16           HB3      PHE  16  -5.628  -3.411  -0.537
  159    HD1  PHE  16           HD1      PHE  16  -6.555  -5.513   0.035
  160    HD2  PHE  16           HD2      PHE  16  -5.224  -4.761  -3.934
  161    HE1  PHE  16           HE1      PHE  16  -6.730  -7.913  -0.475
  162    HE2  PHE  16           HE2      PHE  16  -5.400  -7.157  -4.452
  163    HZ   PHE  16           HZ       PHE  16  -6.153  -8.738  -2.723
  164    H    ASN  17           H        ASN  17  -7.285  -1.794   0.308
  165    HA   ASN  17           HA       ASN  17  -9.497  -3.514   1.029
  166    HB2  ASN  17           HB2      ASN  17  -7.938  -1.383   2.484
  167    HB3  ASN  17           HB3      ASN  17  -9.384  -2.099   3.181
  168   HD21  ASN  17          HD21      ASN  17  -7.289  -4.009   1.188
  169   HD22  ASN  17          HD22      ASN  17  -6.608  -4.962   2.462
  Start of MODEL   10
    1    H1   LEU   1           H1       LEU   1  16.064  -1.085   2.782
    2    H2   LEU   1           H2       LEU   1  15.940   0.366   1.932
    3    H3   LEU   1           H3       LEU   1  17.458  -0.319   2.210
    4    HA   LEU   1           HA       LEU   1  16.825  -0.695  -0.051
    5    HB2  LEU   1           HB2      LEU   1  18.086  -2.446   1.178
    6    HB3  LEU   1           HB3      LEU   1  16.568  -3.222   1.583
    7    HG   LEU   1           HG       LEU   1  16.147  -3.535  -0.865
    8   HD11  LEU   1          HD11      LEU   1  17.546  -1.791  -1.756
    9   HD12  LEU   1          HD12      LEU   1  18.098  -3.351  -2.367
   10   HD13  LEU   1          HD13      LEU   1  18.984  -2.547  -1.073
   11   HD21  LEU   1          HD21      LEU   1  17.023  -5.348   0.499
   12   HD22  LEU   1          HD22      LEU   1  18.667  -4.766   0.241
   13   HD23  LEU   1          HD23      LEU   1  17.729  -5.387  -1.116
   14    H    MET   2           H        MET   2  14.615  -2.637   1.977
   15    HA   MET   2           HA       MET   2  12.662  -2.541  -0.188
   16    HB2  MET   2           HB2      MET   2  12.760  -4.169   2.354
   17    HB3  MET   2           HB3      MET   2  11.447  -4.245   1.186
   18    HG2  MET   2           HG2      MET   2  12.991  -5.022  -0.522
   19    HG3  MET   2           HG3      MET   2  14.326  -4.907   0.622
   20    HE1  MET   2           HE1      MET   2  13.601  -7.526  -1.089
   21    HE2  MET   2           HE2      MET   2  13.854  -8.771   0.134
   22    HE3  MET   2           HE3      MET   2  14.972  -7.413   0.014
   23    H    GLY   3           H        GLY   3  13.382  -0.527   2.194
   24    HA2  GLY   3           HA2      GLY   3  11.039  -0.163   3.691
   25    HA3  GLY   3           HA3      GLY   3  12.242   1.077   3.369
   26    H    LEU   4           H        LEU   4  11.950   0.994   0.512
   27    HA   LEU   4           HA       LEU   4   9.841   2.811   0.083
   28    HB2  LEU   4           HB2      LEU   4  10.842   1.049  -2.111
   29    HB3  LEU   4           HB3      LEU   4  10.382   2.736  -2.178
   30    HG   LEU   4           HG       LEU   4  12.730   2.195  -0.518
   31   HD11  LEU   4          HD11      LEU   4  12.945   1.902  -3.505
   32   HD12  LEU   4          HD12      LEU   4  12.875   0.522  -2.406
   33   HD13  LEU   4          HD13      LEU   4  14.214   1.677  -2.300
   34   HD21  LEU   4          HD21      LEU   4  11.909   4.437  -1.080
   35   HD22  LEU   4          HD22      LEU   4  12.179   4.095  -2.790
   36   HD23  LEU   4          HD23      LEU   4  13.546   4.164  -1.679
   37    H    PHE   5           H        PHE   5  10.278  -0.527  -0.890
   38    HA   PHE   5           HA       PHE   5   7.821  -0.829  -2.193
   39    HB2  PHE   5           HB2      PHE   5  10.023  -2.155  -2.411
   40    HB3  PHE   5           HB3      PHE   5   9.427  -3.087  -1.032
   41    HD1  PHE   5           HD1      PHE   5   7.919  -4.836  -1.319
   42    HD2  PHE   5           HD2      PHE   5   8.560  -2.072  -4.489
   43    HE1  PHE   5           HE1      PHE   5   6.599  -6.263  -2.825
   44    HE2  PHE   5           HE2      PHE   5   7.239  -3.496  -5.999
   45    HZ   PHE   5           HZ       PHE   5   6.258  -5.593  -5.167
   46    H    ASN   6           H        ASN   6   8.899  -1.802   1.057
   47    HA   ASN   6           HA       ASN   6   6.571  -3.153   1.841
   48    HB2  ASN   6           HB2      ASN   6   8.528  -1.563   3.500
   49    HB3  ASN   6           HB3      ASN   6   7.257  -2.570   4.177
   50   HD21  ASN   6          HD21      ASN   6   7.545  -4.594   2.069
   51   HD22  ASN   6          HD22      ASN   6   8.988  -5.463   2.448
   52    H    ARG   7           H        ARG   7   7.437   0.260   2.018
   53    HA   ARG   7           HA       ARG   7   5.103   1.030   3.394
   54    HB2  ARG   7           HB2      ARG   7   6.785   2.580   3.626
   55    HB3  ARG   7           HB3      ARG   7   7.307   2.424   1.959
   56    HG2  ARG   7           HG2      ARG   7   4.670   3.686   2.533
   57    HG3  ARG   7           HG3      ARG   7   6.153   4.604   2.808
   58    HD2  ARG   7           HD2      ARG   7   6.853   4.087   0.497
   59    HD3  ARG   7           HD3      ARG   7   5.315   3.269   0.245
   60    HE   ARG   7           HE       ARG   7   4.343   5.580   0.834
   61   HH11  ARG   7          HH11      ARG   7   7.396   5.091  -0.814
   62   HH12  ARG   7          HH12      ARG   7   7.265   6.539  -1.760
   63   HH21  ARG   7          HH21      ARG   7   4.171   7.497  -0.412
   64   HH22  ARG   7          HH22      ARG   7   5.436   7.906  -1.527
   65    H    ILE   8           H        ILE   8   5.938   0.617   0.031
   66    HA   ILE   8           HA       ILE   8   3.650   1.800  -1.117
   67    HB   ILE   8           HB       ILE   8   5.407  -0.433  -2.145
   68   HG12  ILE   8          HG12      ILE   8   6.575   1.698  -1.850
   69   HG13  ILE   8          HG13      ILE   8   6.394   1.320  -3.559
   70   HG21  ILE   8          HG21      ILE   8   3.204  -0.529  -3.206
   71   HG22  ILE   8          HG22      ILE   8   4.453  -0.026  -4.348
   72   HG23  ILE   8          HG23      ILE   8   3.351   1.169  -3.663
   73   HD11  ILE   8          HD11      ILE   8   5.987   3.660  -3.178
   74   HD12  ILE   8          HD12      ILE   8   4.754   3.284  -1.976
   75   HD13  ILE   8          HD13      ILE   8   4.488   2.872  -3.670
   76    H    ILE   9           H        ILE   9   4.223  -1.351   0.337
   77    HA   ILE   9           HA       ILE   9   2.017  -2.708  -0.778
   78    HB   ILE   9           HB       ILE   9   3.130  -3.231   1.975
   79   HG12  ILE   9          HG12      ILE   9   5.022  -3.103   0.453
   80   HG13  ILE   9          HG13      ILE   9   4.738  -4.772   0.929
   81   HG21  ILE   9          HG21      ILE   9   1.841  -5.036  -0.059
   82   HG22  ILE   9          HG22      ILE   9   1.117  -4.458   1.442
   83   HG23  ILE   9          HG23      ILE   9   2.498  -5.553   1.493
   84   HD11  ILE   9          HD11      ILE   9   5.296  -4.551  -1.433
   85   HD12  ILE   9          HD12      ILE   9   3.872  -3.533  -1.664
   86   HD13  ILE   9          HD13      ILE   9   3.681  -5.220  -1.193
   87    H    ARG  10           H        ARG  10   2.397  -0.547   1.926
   88    HA   ARG  10           HA       ARG  10  -0.283  -1.045   2.903
   89    HB2  ARG  10           HB2      ARG  10   1.307   1.270   3.901
   90    HB3  ARG  10           HB3      ARG  10   0.295   0.128   4.773
   91    HG2  ARG  10           HG2      ARG  10   3.008  -0.510   3.682
   92    HG3  ARG  10           HG3      ARG  10   2.660  -0.074   5.357
   93    HD2  ARG  10           HD2      ARG  10   1.271  -2.000   5.627
   94    HD3  ARG  10           HD3      ARG  10   1.385  -2.360   3.907
   95    HE   ARG  10           HE       ARG  10   3.908  -2.324   5.319
   96   HH11  ARG  10          HH11      ARG  10   1.200  -4.286   4.288
   97   HH12  ARG  10          HH12      ARG  10   2.087  -5.772   4.357
   98   HH21  ARG  10          HH21      ARG  10   5.074  -4.274   5.424
   99   HH22  ARG  10          HH22      ARG  10   4.292  -5.768   5.009
  100    H    LYS  11           H        LYS  11   1.433   1.196   0.921
  101    HA   LYS  11           HA       LYS  11  -0.531   3.259   0.878
  102    HB2  LYS  11           HB2      LYS  11   1.827   3.625   0.240
  103    HB3  LYS  11           HB3      LYS  11   1.617   2.558  -1.139
  104    HG2  LYS  11           HG2      LYS  11   0.037   4.105  -2.132
  105    HG3  LYS  11           HG3      LYS  11   0.158   5.160  -0.722
  106    HD2  LYS  11           HD2      LYS  11   2.529   5.518  -1.181
  107    HD3  LYS  11           HD3      LYS  11   2.432   4.436  -2.571
  108    HE2  LYS  11           HE2      LYS  11   0.852   6.985  -2.265
  109    HE3  LYS  11           HE3      LYS  11   2.354   6.841  -3.177
  110    HZ1  LYS  11           HZ1      LYS  11   1.275   5.222  -4.616
  111    HZ2  LYS  11           HZ2      LYS  11   0.433   6.689  -4.620
  112    HZ3  LYS  11           HZ3      LYS  11  -0.167   5.376  -3.743
  113    H    VAL  12           H        VAL  12   0.101   0.361  -0.979
  114    HA   VAL  12           HA       VAL  12  -2.047   0.824  -2.838
  115    HB   VAL  12           HB       VAL  12  -0.360  -1.627  -2.309
  116   HG11  VAL  12          HG11      VAL  12  -1.293  -2.557  -4.342
  117   HG12  VAL  12          HG12      VAL  12  -2.267  -1.105  -4.593
  118   HG13  VAL  12          HG13      VAL  12  -2.606  -2.165  -3.226
  119   HG21  VAL  12          HG21      VAL  12   0.882   0.261  -3.234
  120   HG22  VAL  12          HG22      VAL  12  -0.295   0.405  -4.540
  121   HG23  VAL  12          HG23      VAL  12   0.723  -1.031  -4.424
  122    H    VAL  13           H        VAL  13  -1.678  -0.713   0.261
  123    HA   VAL  13           HA       VAL  13  -3.840  -2.518   0.065
  124    HB   VAL  13           HB       VAL  13  -1.842  -2.038   1.889
  125   HG11  VAL  13          HG11      VAL  13  -3.053  -0.275   3.008
  126   HG12  VAL  13          HG12      VAL  13  -2.931  -1.687   4.059
  127   HG13  VAL  13          HG13      VAL  13  -4.446  -1.336   3.227
  128   HG21  VAL  13          HG21      VAL  13  -2.797  -3.931   3.107
  129   HG22  VAL  13          HG22      VAL  13  -2.789  -4.167   1.360
  130   HG23  VAL  13          HG23      VAL  13  -4.289  -3.746   2.186
  131    H    LYS  14           H        LYS  14  -3.473   0.796   0.631
  132    HA   LYS  14           HA       LYS  14  -5.947   1.432   1.787
  133    HB2  LYS  14           HB2      LYS  14  -3.910   2.927   0.174
  134    HB3  LYS  14           HB3      LYS  14  -5.389   3.719   0.726
  135    HG2  LYS  14           HG2      LYS  14  -3.253   2.464   2.442
  136    HG3  LYS  14           HG3      LYS  14  -3.545   4.188   2.226
  137    HD2  LYS  14           HD2      LYS  14  -5.478   2.225   3.461
  138    HD3  LYS  14           HD3      LYS  14  -4.446   3.340   4.353
  139    HE2  LYS  14           HE2      LYS  14  -6.550   4.154   2.356
  140    HE3  LYS  14           HE3      LYS  14  -6.770   4.149   4.103
  141    HZ1  LYS  14           HZ1      LYS  14  -4.954   5.755   4.276
  142    HZ2  LYS  14           HZ2      LYS  14  -6.226   6.348   3.332
  143    HZ3  LYS  14           HZ3      LYS  14  -4.813   5.791   2.588
  144    H    LEU  15           H        LEU  15  -4.911   1.034  -1.600
  145    HA   LEU  15           HA       LEU  15  -7.589   1.736  -2.485
  146    HB2  LEU  15           HB2      LEU  15  -6.734   1.519  -4.732
  147    HB3  LEU  15           HB3      LEU  15  -5.646   2.497  -3.770
  148    HG   LEU  15           HG       LEU  15  -4.348   0.219  -3.488
  149   HD11  LEU  15          HD11      LEU  15  -4.440  -1.139  -5.518
  150   HD12  LEU  15          HD12      LEU  15  -5.796  -0.175  -6.103
  151   HD13  LEU  15          HD13      LEU  15  -5.977  -1.162  -4.653
  152   HD21  LEU  15          HD21      LEU  15  -3.430   2.235  -4.470
  153   HD22  LEU  15          HD22      LEU  15  -4.281   1.912  -5.981
  154   HD23  LEU  15          HD23      LEU  15  -2.997   0.830  -5.443
  155    H    PHE  16           H        PHE  16  -5.768  -0.986  -1.585
  156    HA   PHE  16           HA       PHE  16  -7.188  -2.978  -3.046
  157    HB2  PHE  16           HB2      PHE  16  -4.914  -3.265  -2.040
  158    HB3  PHE  16           HB3      PHE  16  -5.661  -3.259  -0.454
  159    HD1  PHE  16           HD1      PHE  16  -6.926  -4.922  -3.518
  160    HD2  PHE  16           HD2      PHE  16  -5.171  -5.394   0.330
  161    HE1  PHE  16           HE1      PHE  16  -7.272  -7.351  -3.666
  162    HE2  PHE  16           HE2      PHE  16  -5.515  -7.825   0.190
  163    HZ   PHE  16           HZ       PHE  16  -6.567  -8.807  -1.809
  164    H    ASN  17           H        ASN  17  -7.379  -1.722   0.255
  165    HA   ASN  17           HA       ASN  17  -9.679  -3.369   0.876
  166    HB2  ASN  17           HB2      ASN  17  -8.233  -1.212   2.415
  167    HB3  ASN  17           HB3      ASN  17  -9.707  -1.966   3.008
  168   HD21  ASN  17          HD21      ASN  17  -7.195  -3.631   1.216
  169   HD22  ASN  17          HD22      ASN  17  -6.678  -4.639   2.522