*HEADER    PROTEIN BINDING                         09-JUL-18   6H0J              
*TITLE     A1-TYPE ACP DOMAIN FROM MODULE 5 OF MLSA1                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYPE I MODULAR POLYKETIDE SYNTHASE;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: A FRAGMENT FROM THE FIFTH CHAIN EXTENSION MODULE OF   
*COMPND   6 THE MLSA1 SUBUNIT OF THE MYCOLACTONE POLYKETIDE SYNTHASE SYSTEM      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS (STRAIN AGY99);          
*SOURCE   3 ORGANISM_TAXID: 362242;                                              
*SOURCE   4 STRAIN: AGY99;                                                       
*SOURCE   5 GENE: MLSA1, MUP040C;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: TUNER                                     
*KEYWDS    ACYL CARRIER PROTEIN MYCOLACTONE POLYKETIDE SYNTHASE, PROTEIN BINDING 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.MORETTO,R.HEYLEN,N.HOLROYD,S.VANCE,R.W.BROADHURST                   
*REVDAT   1   06-MAR-19 6H0J    0                                                
# Restraints file 1: mH0ACPa_c_180709.tbl
assign ( resid 79 and name HG2#
	 )
       ( resid 79 and name H
	 ) 2.9 0.6 0.6 volume=435208612.500 peak=1 ppm1=-0.149 ppm2=7.655

assign ( resid 79 and name HG2#
	 )
       ( resid 54 and name HD#
	 ) 3.8 0.8 0.8 volume=81825109.250 peak=2 ppm1=-0.148 ppm2=7.371

assign ( resid 79 and name HG2#
	 )
       ( resid 62 and name HA
	 or resid 78 and name HA
	 or resid 85 and name HA
	 ) 4.1 0.8 0.8 volume=52957976.500 peak=6 ppm1=-0.149 ppm2=4.073

assign ( resid 79 and name HG2#
	 )
       ( resid 49 and name HB3
	 or resid 49 and name HB2
	 or resid 54 and name HB3
	 ) 3.3 0.7 0.7 volume=190046132.500 peak=8 ppm1=-0.148 ppm2=2.688

assign ( resid 59 and name HB#
	 )
       ( resid 79 and name HG2#
	 ) 2.8 0.6 0.6 volume=607347491.000 peak=9 ppm1=1.410 ppm2=-0.142

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG2#
	 ) 2.5 0.5 0.5 volume=1065045304.000 peak=10 ppm1=1.290 ppm2=-0.145

assign ( resid 79 and name HG2#
	 )
       ( resid 78 and name HB2
	 ) 4.1 0.8 0.8 volume=58287183.062 peak=12 ppm1=-0.149 ppm2=2.113

assign ( resid 79 and name HG2#
	 )
       ( resid 78 and name HB3
	 ) 3.5 0.7 0.7 volume=153750546.750 peak=13 ppm1=-0.148 ppm2=1.771

assign ( resid 78 and name HD2#
	 )
       ( resid 79 and name HG2#
	 ) 3.7 0.7 0.7 volume=98442022.625 peak=14 ppm1=1.041 ppm2=-0.139

assign ( resid 78 and name HD1#
	 )
       ( resid 79 and name HG2#
	 ) 3.0 0.6 0.6 volume=371331469.500 peak=15 ppm1=0.816 ppm2=-0.145

assign ( resid 79 and name HG2#
	 )
       ( resid 79 and name HG13
	 ) 2.9 0.6 0.6 volume=421997350.000 peak=16 ppm1=-0.149 ppm2=0.643

assign ( resid 62 and name HD2#
	 )
       ( resid 79 and name HG2#
	 ) 2.8 0.6 0.6 volume=498601506.000 peak=17 ppm1=0.238 ppm2=-0.149

assign ( resid 79 and name HG2#
	 )
       ( resid 79 and name HG12
	 ) 3.1 0.6 0.6 volume=321405098.000 peak=18 ppm1=-0.149 ppm2=0.087

assign ( resid 59 and name HB#
	 )
       ( resid 79 and name HD1#
	 ) 2.6 0.5 0.5 volume=795815649.000 peak=19 ppm1=1.416 ppm2=0.009

assign ( resid 79 and name HD1#
	 )
       ( resid 60 and name HD1#
	 or resid 66 and name HD1#
	 or resid 78 and name HD2#
	 ) 3.7 0.7 0.7 volume=95560317.750 peak=21 ppm1=0.005 ppm2=1.054

assign ( resid 78 and name HD1#
	 )
       ( resid 79 and name HD1#
	 ) 3.0 0.6 0.6 volume=394948290.000 peak=22 ppm1=0.817 ppm2=0.012

assign ( resid 79 and name HD1#
	 )
       ( resid 79 and name HG13
	 ) 2.7 0.5 0.5 volume=714934272.000 peak=23 ppm1=0.005 ppm2=0.643

assign ( resid 79 and name HD1#
	 )
       ( resid 52 and name HB2
	 or resid 63 and name HB2
	 ) 4.3 0.9 0.9 volume=42799355.719 peak=24 ppm1=0.005 ppm2=2.318

assign ( resid 79 and name HD1#
	 )
       ( resid 63 and name HB3
	 ) 4.0 0.8 0.8 volume=64129212.438 peak=25 ppm1=0.005 ppm2=2.052

assign ( resid 62 and name HB2
	 )
       ( resid 79 and name HD1#
	 ) 3.5 0.7 0.7 volume=137608681.375 peak=26 ppm1=1.807 ppm2=0.013

assign ( resid 79 and name HD1#
	 )
       ( resid 54 and name HB2
	 ) 3.5 0.7 0.7 volume=154562588.250 peak=27 ppm1=0.006 ppm2=2.837

assign ( resid 79 and name HD1#
	 )
       ( resid 54 and name HB3
	 ) 3.0 0.6 0.6 volume=400691605.500 peak=28 ppm1=0.006 ppm2=2.681

assign ( resid 79 and name HD1#
	 )
       ( resid 59 and name HA
	 or resid 79 and name HA
	 ) 2.7 0.5 0.5 volume=687052927.000 peak=29 ppm1=0.006 ppm2=3.856

assign ( resid 49 and name HA
	 )
       ( resid 79 and name HD1#
	 ) 4.1 0.8 0.8 volume=58532514.000 peak=30 ppm1=4.285 ppm2=0.009

assign ( resid 79 and name HD1#
	 )
       ( resid 54 and name HA
	 ) 3.9 0.8 0.8 volume=73012286.000 peak=31 ppm1=0.005 ppm2=4.086

assign ( resid 79 and name HD1#
	 )
       ( resid 79 and name H
	 ) 3.2 0.6 0.6 volume=242336142.250 peak=32 ppm1=0.005 ppm2=7.652

assign ( resid 54 and name HD#
	 )
       ( resid 79 and name HD1#
	 ) 3.4 0.7 0.7 volume=158291352.500 peak=33 ppm1=7.402 ppm2=0.012

assign ( resid 79 and name HD1#
	 )
       ( resid 80 and name HE#
	 ) 3.7 0.7 0.7 volume=107037149.875 peak=34 ppm1=0.006 ppm2=7.239

assign ( resid 79 and name HD1#
	 )
       ( resid 49 and name HE#
	 ) 3.5 0.7 0.7 volume=152285941.375 peak=35 ppm1=0.006 ppm2=7.025

assign ( resid 49 and name HD#
	 )
       ( resid 79 and name HD1#
	 ) 3.5 0.7 0.7 volume=134106613.625 peak=36 ppm1=6.915 ppm2=0.011

assign ( resid 79 and name HD1#
	 )
       ( resid 59 and name H
	 ) 4.1 0.8 0.8 volume=59106613.500 peak=37 ppm1=0.005 ppm2=9.069

assign ( resid 79 and name HD1#
	 )
       ( resid 55 and name H
	 ) 4.0 0.8 0.8 volume=66496740.750 peak=38 ppm1=0.004 ppm2=8.163

assign ( resid 35 and name HD1#
	 )
       ( resid 37 and name H
	 or resid 52 and name H
	 or resid 54 and name H
	 ) 3.9 0.8 0.8 volume=78044218.375 peak=39 ppm1=0.090 ppm2=8.167

assign ( resid 35 and name HD1#
	 )
       ( resid 36 and name H
	 ) 4.1 0.8 0.8 volume=57400512.500 peak=40 ppm1=0.093 ppm2=7.773

assign ( resid 35 and name HD1#
	 )
       ( resid 35 and name H
	 ) 3.3 0.7 0.7 volume=217717975.125 peak=41 ppm1=0.090 ppm2=7.646

assign ( resid 35 and name HD1#
	 )
       ( resid 54 and name HD#
	 ) 3.3 0.7 0.7 volume=199491925.500 peak=42 ppm1=0.092 ppm2=7.369

assign ( resid 54 and name HE#
	 )
       ( resid 35 and name HD1#
	 ) 3.4 0.7 0.7 volume=171805672.625 peak=43 ppm1=7.217 ppm2=0.095

assign ( resid 35 and name HD1#
	 )
       ( resid 37 and name HD#
	 or resid 49 and name HE#
	 ) 4.3 0.9 0.9 volume=43092782.656 peak=44 ppm1=0.090 ppm2=7.031

assign ( resid 37 and name HE#
	 )
       ( resid 35 and name HD1#
	 ) 3.8 0.8 0.8 volume=86856545.125 peak=45 ppm1=6.837 ppm2=0.097

assign ( resid 35 and name HB2
	 )
       ( resid 35 and name HD1#
	 ) 2.5 0.5 0.5 volume=1011907331.000 peak=53 ppm1=1.382 ppm2=0.096

assign ( resid 35 and name HD1#
	 )
       ( resid 35 and name HB3
	 ) 2.9 0.6 0.6 volume=485296150.000 peak=54 ppm1=0.091 ppm2=1.169

assign ( resid 35 and name HD1#
	 )
       ( resid 35 and name HG
	 ) 3.1 0.6 0.6 volume=327770084.500 peak=55 ppm1=0.091 ppm2=1.004

assign ( resid 35 and name HD2#
	 )
       ( resid 35 and name HD1#
	 ) 2.3 0.5 0.5 volume=1324655853.000 peak=57 ppm1=0.627 ppm2=0.097

assign ( resid 99 and name HG12
	 )
       ( resid 99 and name HD1#
	 ) 2.6 0.5 0.5 volume=895890314.000 peak=58 ppm1=1.212 ppm2=0.841

assign ( resid 99 and name HD1#
	 )
       ( resid 99 and name HG13
	 ) 2.4 0.5 0.5 volume=1058387398.000 peak=59 ppm1=0.829 ppm2=1.438

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HD1#
	 ) 2.6 0.5 0.5 volume=864076418.000 peak=60 ppm1=1.947 ppm2=0.809

assign ( resid 99 and name HD1#
	 )
       ( resid 97 and name HB3
	 ) 3.5 0.7 0.7 volume=134221093.250 peak=61 ppm1=0.830 ppm2=1.804

assign ( resid 99 and name HD1#
	 )
       ( resid 11 and name HA
	 or resid 96 and name HA
	 or resid 99 and name HA
	 ) 3.1 0.6 0.6 volume=320194934.500 peak=62 ppm1=0.829 ppm2=4.345

assign ( resid 99 and name HD1#
	 )
       ( resid 12 and name HA
	 ) 4.0 0.8 0.8 volume=67516940.812 peak=63 ppm1=0.829 ppm2=4.135

assign ( resid 99 and name HD1#
	 )
       ( resid 97 and name HD2
	 ) 3.5 0.7 0.7 volume=152524675.750 peak=64 ppm1=0.829 ppm2=3.889

assign ( resid 99 and name HD1#
	 )
       ( resid 97 and name HD3
	 ) 3.9 0.8 0.8 volume=72154267.875 peak=65 ppm1=0.830 ppm2=3.725

assign ( resid 99 and name HD1#
	 )
       ( resid 12 and name H
	 or resid 96 and name H
	 ) 4.0 0.8 0.8 volume=68543227.375 peak=66 ppm1=0.831 ppm2=7.320

assign ( resid 99 and name HD1#
	 )
       ( resid 19 and name HE21
	 ) 4.0 0.8 0.8 volume=67093408.094 peak=67 ppm1=0.828 ppm2=7.155

assign ( resid 99 and name HD1#
	 )
       ( resid 19 and name HE22
	 ) 3.6 0.7 0.7 volume=119132253.875 peak=68 ppm1=0.829 ppm2=6.812

assign ( resid 99 and name HD1#
	 )
       ( resid 99 and name H
	 ) 3.8 0.8 0.8 volume=83612376.000 peak=69 ppm1=0.829 ppm2=7.813

assign ( resid 99 and name HD1#
	 )
       ( resid 100 and name H
	 ) 4.2 0.8 0.8 volume=46928560.562 peak=70 ppm1=0.827 ppm2=8.204

assign ( resid 87 and name HB#
	 )
       ( resid 84 and name H
	 ) 2.6 0.5 0.5 volume=816479725.000 peak=71 ppm1=1.740 ppm2=7.329

assign ( resid 87 and name HB#
	 )
       ( resid 88 and name H
	 ) 2.9 0.6 0.6 volume=486402303.000 peak=72 ppm1=1.740 ppm2=8.556

assign ( resid 87 and name HB#
	 )
       ( resid 87 and name H
	 ) 2.7 0.5 0.5 volume=631345431.000 peak=73 ppm1=1.740 ppm2=8.262

assign ( resid 87 and name HB#
	 )
       ( resid 90 and name H
	 ) 4.3 0.9 0.9 volume=41042063.719 peak=74 ppm1=1.742 ppm2=7.826

assign ( resid 87 and name HB#
	 )
       ( resid 91 and name H
	 ) 4.0 0.8 0.8 volume=66378260.125 peak=75 ppm1=1.740 ppm2=7.702

assign ( resid 87 and name HB#
	 )
       ( resid 49 and name HE#
	 ) 4.3 0.9 0.9 volume=40943695.500 peak=76 ppm1=1.742 ppm2=7.015

assign ( resid 87 and name HB#
	 )
       ( resid 86 and name HD2
	 ) 4.1 0.8 0.8 volume=56014223.938 peak=77 ppm1=1.739 ppm2=6.862

assign ( resid 87 and name HB#
	 )
       ( resid 82 and name HA
	 ) 3.9 0.8 0.8 volume=73965737.000 peak=78 ppm1=1.740 ppm2=4.970

assign ( resid 87 and name HB#
	 )
       ( resid 87 and name HA
	 ) 2.5 0.5 0.5 volume=1007046540.000 peak=79 ppm1=1.740 ppm2=4.225

assign ( resid 87 and name HB#
	 )
       ( resid 88 and name HA
	 ) 3.3 0.7 0.7 volume=197592429.750 peak=81 ppm1=1.739 ppm2=3.424

assign ( resid 87 and name HB#
	 )
       ( resid 86 and name HB3
	 ) 4.2 0.8 0.8 volume=48626428.438 peak=83 ppm1=1.740 ppm2=2.889

assign ( resid 87 and name HB#
	 )
       ( resid 82 and name HB2
	 ) 3.0 0.6 0.6 volume=402464892.500 peak=84 ppm1=1.740 ppm2=2.363

assign ( resid 88 and name HA
	 )
       ( resid 88 and name HG2#
	 ) 2.7 0.5 0.5 volume=624485374.000 peak=89 ppm1=3.416 ppm2=1.328

assign ( resid 88 and name HA
	 )
       ( resid 91 and name H
	 ) 3.4 0.7 0.7 volume=166851192.000 peak=91 ppm1=3.415 ppm2=7.726

assign ( resid 88 and name HA
	 )
       ( resid 88 and name H
	 ) 3.0 0.6 0.6 volume=345028786.500 peak=92 ppm1=3.416 ppm2=8.555

assign ( resid 88 and name HA
	 )
       ( resid 92 and name H
	 ) 3.7 0.7 0.7 volume=102964539.000 peak=93 ppm1=3.418 ppm2=8.420

assign ( resid 70 and name HB
	 )
       ( resid 7 and name H
	 ) 4.3 0.9 0.9 volume=42810529.812 peak=94 ppm1=4.133 ppm2=8.330

assign ( resid 70 and name HB
	 )
       ( resid 72 and name H
	 ) 3.7 0.7 0.7 volume=107768556.000 peak=95 ppm1=4.130 ppm2=7.743

assign ( resid 70 and name HB
	 )
       ( resid 70 and name H
	 ) 4.1 0.8 0.8 volume=58155430.625 peak=96 ppm1=4.133 ppm2=7.631

assign ( resid 70 and name HB
	 )
       ( resid 7 and name HB2
	 ) 3.7 0.7 0.7 volume=99031141.250 peak=98 ppm1=4.133 ppm2=1.848

assign ( resid 70 and name HB
	 )
       ( resid 70 and name HG2#
	 ) 2.7 0.5 0.5 volume=739935641.000 peak=100 ppm1=4.132 ppm2=1.297

assign ( resid 22 and name HG1#
	 )
       ( resid 22 and name H
	 ) 3.2 0.6 0.6 volume=270989709.250 peak=101 ppm1=0.864 ppm2=8.519

assign ( resid 22 and name HG1#
	 )
       ( resid 11 and name HA
	 ) 3.7 0.7 0.7 volume=97456139.250 peak=102 ppm1=0.865 ppm2=4.347

assign ( resid 22 and name HG1#
	 )
       ( resid 19 and name HA
	 ) 3.3 0.7 0.7 volume=206412896.500 peak=104 ppm1=0.865 ppm2=3.837

assign ( resid 22 and name HG1#
	 )
       ( resid 10 and name HE3
	 ) 3.7 0.7 0.7 volume=110824629.375 peak=106 ppm1=0.863 ppm2=2.960

assign ( resid 22 and name HG1#
	 )
       ( resid 21 and name HB#
	 ) 3.2 0.6 0.6 volume=248277135.500 peak=108 ppm1=0.864 ppm2=1.605

assign ( resid 22 and name HG1#
	 )
       ( resid 10 and name HG2
	 ) 3.6 0.7 0.7 volume=128856385.062 peak=109 ppm1=0.865 ppm2=1.473

assign ( resid 27 and name HG1#
	 )
       ( resid 27 and name H
	 ) 2.6 0.5 0.5 volume=790344177.000 peak=111 ppm1=1.082 ppm2=7.964

assign ( resid 22 and name HG2#
	 )
       ( resid 22 and name H
	 ) 2.5 0.5 0.5 volume=1068115317.000 peak=112 ppm1=1.088 ppm2=8.519

assign ( resid 27 and name HG1#
	 )
       ( resid 28 and name H
	 ) 3.5 0.7 0.7 volume=138357602.000 peak=113 ppm1=1.084 ppm2=8.380

assign ( resid 22 and name HG2#
	 )
       ( resid 21 and name H
	 ) 3.6 0.7 0.7 volume=131076228.500 peak=114 ppm1=1.089 ppm2=7.698

assign ( resid 53 and name HA2
	 )
       ( resid 54 and name H
	 ) 3.6 0.7 0.7 volume=129193248.750 peak=115 ppm1=4.402 ppm2=8.163

assign ( resid 53 and name HA2
	 )
       ( resid 53 and name H
	 ) 3.0 0.6 0.6 volume=361128937.000 peak=116 ppm1=4.402 ppm2=7.773

assign ( resid 53 and name HA3
	 )
       ( resid 53 and name HA2
	 ) 2.4 0.5 0.5 volume=1285595204.000 peak=117 ppm1=3.817 ppm2=4.405

assign ( resid 53 and name HA3
	 )
       ( resid 54 and name H
	 ) 3.4 0.7 0.7 volume=158547472.000 peak=119 ppm1=3.814 ppm2=8.159

assign ( resid 53 and name HA3
	 )
       ( resid 53 and name H
	 ) 2.8 0.6 0.6 volume=505130942.000 peak=120 ppm1=3.825 ppm2=7.770

assign ( resid 53 and name HA2
	 )
       ( resid 35 and name HD1#
	 ) 3.9 0.8 0.8 volume=70399287.625 peak=121 ppm1=4.403 ppm2=0.094

assign ( resid 53 and name HA3
	 )
       ( resid 35 and name HD1#
	 ) 4.3 0.9 0.9 volume=43855974.250 peak=122 ppm1=3.818 ppm2=0.098

assign ( resid 91 and name HB2
	 )
       ( resid 92 and name H
	 ) 3.4 0.7 0.7 volume=184858632.000 peak=123 ppm1=3.018 ppm2=8.441

assign ( resid 91 and name HB2
	 )
       ( resid 91 and name H
	 ) 3.0 0.6 0.6 volume=367054362.000 peak=124 ppm1=3.020 ppm2=7.728

assign ( resid 91 and name HB3
	 )
       ( resid 91 and name H
	 ) 2.9 0.6 0.6 volume=405603877.000 peak=125 ppm1=2.178 ppm2=7.728

assign ( resid 91 and name HD2
	 )
       ( resid 91 and name HB2
	 ) 3.5 0.7 0.7 volume=147507812.250 peak=126 ppm1=6.185 ppm2=3.021

assign ( resid 91 and name HB2
	 )
       ( resid 91 and name HA
	 ) 3.0 0.6 0.6 volume=205920010.000 peak=127 ppm1=3.019 ppm2=4.224

assign ( resid 91 and name HB2
	 )
       ( resid 88 and name HA
	 ) 3.2 0.6 0.6 volume=215634453.000 peak=128 ppm1=3.020 ppm2=3.420

assign ( resid 91 and name HB3
	 )
       ( resid 91 and name HA
	 ) 3.1 0.6 0.6 volume=325969266.000 peak=129 ppm1=2.179 ppm2=4.224

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HB3
	 ) 3.3 0.7 0.7 volume=179659409.500 peak=131 ppm1=3.416 ppm2=2.176

assign ( resid 91 and name HB2
	 )
       ( resid 91 and name HB3
	 ) 2.7 0.5 0.5 volume=721503746.000 peak=132 ppm1=3.019 ppm2=2.180

assign ( resid 91 and name HB2
	 )
       ( resid 78 and name HD2#
	 or resid 92 and name HD1#
	 or resid 93 and name HD1#
	 ) 4.0 0.8 0.8 volume=61799174.250 peak=133 ppm1=3.019 ppm2=1.049

assign ( resid 91 and name HB2
	 )
       ( resid 88 and name HG1#
	 ) 4.0 0.8 0.8 volume=60410173.875 peak=134 ppm1=3.020 ppm2=0.908

assign ( resid 91 and name HB2
	 )
       ( resid 92 and name HD2#
	 or resid 93 and name HD2#
	 ) 4.1 0.8 0.8 volume=57620884.625 peak=135 ppm1=3.014 ppm2=0.770

assign ( resid 91 and name HB3
	 )
       ( resid 78 and name HD2#
	 or resid 92 and name HD1#
	 or resid 93 and name HD1#
	 ) 4.1 0.8 0.8 volume=58684944.875 peak=136 ppm1=2.181 ppm2=1.051

assign ( resid 91 and name HD2
	 )
       ( resid 92 and name H
	 ) 4.3 0.9 0.9 volume=42645289.188 peak=138 ppm1=6.186 ppm2=8.445

assign ( resid 91 and name HD2
	 )
       ( resid 91 and name H
	 ) 4.2 0.8 0.8 volume=48324650.062 peak=139 ppm1=6.182 ppm2=7.716

assign ( resid 91 and name HB3
	 )
       ( resid 91 and name HD2
	 ) 3.7 0.7 0.7 volume=108202487.250 peak=142 ppm1=2.176 ppm2=6.187

assign ( resid 78 and name HD2#
	 )
       ( resid 91 and name HD2
	 ) 2.7 0.5 0.5 volume=455180507.000 peak=143 ppm1=1.043 ppm2=6.188

assign ( resid 91 and name HD2
	 )
       ( resid 88 and name HG1#
	 ) 3.2 0.6 0.6 volume=256698760.000 peak=144 ppm1=6.185 ppm2=0.921

assign ( resid 92 and name HD2#
	 )
       ( resid 91 and name HD2
	 ) 3.2 0.6 0.6 volume=263794005.000 peak=145 ppm1=0.731 ppm2=6.186

assign ( resid 86 and name HD2
	 )
       ( resid 88 and name H
	 ) 4.2 0.8 0.8 volume=51973414.312 peak=146 ppm1=6.852 ppm2=8.565

assign ( resid 86 and name HD2
	 )
       ( resid 87 and name H
	 ) 4.2 0.8 0.8 volume=45835213.062 peak=147 ppm1=6.848 ppm2=8.267

assign ( resid 82 and name HD2
	 )
       ( resid 82 and name H
	 ) 3.7 0.7 0.7 volume=104934301.500 peak=149 ppm1=6.692 ppm2=7.686

assign ( resid 82 and name HD2
	 )
       ( resid 88 and name HG2#
	 ) 3.9 0.8 0.8 volume=79302814.250 peak=154 ppm1=6.694 ppm2=1.352

assign ( resid 78 and name HD2#
	 )
       ( resid 82 and name HD2
	 ) 2.9 0.6 0.6 volume=375555919.000 peak=155 ppm1=1.043 ppm2=6.698

assign ( resid 65 and name HD2
	 )
       ( resid 65 and name H
	 ) 3.7 0.7 0.7 volume=105061915.500 peak=156 ppm1=7.178 ppm2=8.728

assign ( resid 65 and name HD2
	 )
       ( resid 65 and name HA
	 ) 4.2 0.8 0.8 volume=45072227.250 peak=157 ppm1=7.178 ppm2=4.506

assign ( resid 65 and name HD2
	 )
       ( resid 31 and name HA
	 or resid 61 and name HA
	 ) 4.1 0.8 0.8 volume=56709349.500 peak=158 ppm1=7.178 ppm2=4.167

assign ( resid 65 and name HD2
	 )
       ( resid 62 and name HA
	 ) 3.7 0.7 0.7 volume=97279016.500 peak=159 ppm1=7.178 ppm2=4.065

assign ( resid 65 and name HB3
	 )
       ( resid 65 and name HD2
	 ) 3.9 0.8 0.8 volume=70904601.500 peak=161 ppm1=3.206 ppm2=7.185

assign ( resid 65 and name HD2
	 )
       ( resid 61 and name HG2
	 ) 4.3 0.9 0.9 volume=44682094.188 peak=162 ppm1=7.176 ppm2=2.430

assign ( resid 65 and name HD2
	 )
       ( resid 61 and name HB2
	 ) 4.1 0.8 0.8 volume=57429506.375 peak=163 ppm1=7.179 ppm2=2.065

assign ( resid 65 and name HD2
	 )
       ( resid 34 and name HG2#
	 ) 4.1 0.8 0.8 volume=52401416.625 peak=164 ppm1=7.178 ppm2=1.003

assign ( resid 34 and name HG1#
	 )
       ( resid 65 and name HD2
	 ) 2.9 0.6 0.6 volume=277519887.000 peak=165 ppm1=0.851 ppm2=7.192

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name H
	 ) 3.3 0.7 0.7 volume=205953905.000 peak=166 ppm1=7.401 ppm2=8.160

assign ( resid 46 and name HD2
	 )
       ( resid 46 and name HB3
	 ) 3.9 0.8 0.8 volume=71145497.250 peak=167 ppm1=6.981 ppm2=3.292

assign ( resid 46 and name HD2
	 )
       ( resid 46 and name HB2
	 ) 3.7 0.7 0.7 volume=106262000.125 peak=168 ppm1=6.981 ppm2=2.960

assign ( resid 46 and name HA
	 )
       ( resid 46 and name HD2
	 ) 4.0 0.8 0.8 volume=23441151.875 peak=169 ppm1=4.612 ppm2=6.974

assign ( resid 46 and name HD2
	 )
       ( resid 45 and name HB
	 ) 4.7 0.9 0.9 volume=22356693.406 peak=170 ppm1=6.984 ppm2=4.066

assign ( resid 45 and name HG2#
	 )
       ( resid 46 and name HD2
	 ) 4.2 0.8 0.8 volume=50889147.562 peak=171 ppm1=1.099 ppm2=6.989

assign ( resid 46 and name HD2
	 )
       ( resid 46 and name H
	 ) 4.7 0.9 0.9 volume=25929605.125 peak=172 ppm1=6.981 ppm2=8.532

assign ( resid 37 and name HD#
	 )
       ( resid 37 and name HE#
	 ) 2.1 0.4 0.4 volume=3308958660.000 peak=173 ppm1=7.028 ppm2=6.844

assign ( resid 87 and name HA
	 )
       ( resid 86 and name HD2
	 ) 3.9 0.8 0.8 volume=76017474.750 peak=174 ppm1=4.221 ppm2=6.854

assign ( resid 37 and name HE#
	 )
       ( resid 40 and name HB
	 ) 4.6 0.9 0.9 volume=27465958.969 peak=175 ppm1=6.839 ppm2=4.493

assign ( resid 36 and name HA2
	 )
       ( resid 37 and name HE#
	 ) 3.7 0.7 0.7 volume=97010595.750 peak=176 ppm1=3.840 ppm2=6.814

assign ( resid 86 and name HD2
	 )
       ( resid 86 and name HB2
	 ) 4.1 0.8 0.8 volume=59959574.250 peak=177 ppm1=6.852 ppm2=2.706

assign ( resid 35 and name HD2#
	 )
       ( resid 37 and name HE#
	 ) 3.1 0.6 0.6 volume=329327903.500 peak=178 ppm1=0.626 ppm2=6.842

assign ( resid 77 and name HB
	 )
       ( resid 77 and name HA
	 ) 3.5 0.7 0.7 volume=151120078.500 peak=179 ppm1=4.793 ppm2=4.407

assign ( resid 80 and name HB2
	 )
       ( resid 77 and name HB
	 ) 4.0 0.8 0.8 volume=68711958.500 peak=181 ppm1=2.899 ppm2=4.797

assign ( resid 77 and name HB
	 )
       ( resid 77 and name HG2#
	 ) 2.9 0.6 0.6 volume=409740215.000 peak=182 ppm1=4.791 ppm2=1.139

assign ( resid 44 and name HA
	 )
       ( resid 44 and name HB2
	 ) 3.4 0.7 0.7 volume=170398882.250 peak=183 ppm1=4.785 ppm2=2.789

assign ( resid 44 and name HB3
	 )
       ( resid 44 and name HA
	 ) 3.2 0.6 0.6 volume=250460634.500 peak=184 ppm1=2.633 ppm2=4.793

assign ( resid 45 and name HG2#
	 )
       ( resid 44 and name HA
	 ) 4.2 0.8 0.8 volume=50407999.375 peak=185 ppm1=1.094 ppm2=4.782

assign ( resid 44 and name HA
	 )
       ( resid 44 and name H
	 ) 3.7 0.7 0.7 volume=95891464.500 peak=186 ppm1=4.785 ppm2=8.327

assign ( resid 44 and name HA
	 )
       ( resid 45 and name H
	 ) 3.4 0.7 0.7 volume=182767436.000 peak=187 ppm1=4.785 ppm2=8.128

assign ( resid 14 and name HA
	 )
       ( resid 14 and name H
	 ) 3.4 0.7 0.7 volume=172175393.250 peak=188 ppm1=4.726 ppm2=7.374

assign ( resid 14 and name HA
	 )
       ( resid 19 and name HE21
	 ) 4.5 0.9 0.9 volume=31824300.562 peak=189 ppm1=4.722 ppm2=7.166

assign ( resid 14 and name HA
	 )
       ( resid 15 and name H
	 ) 2.9 0.6 0.6 volume=426356240.000 peak=190 ppm1=4.726 ppm2=8.874

assign ( resid 14 and name HA
	 )
       ( resid 18 and name HB2
	 ) 3.8 0.8 0.8 volume=92484044.250 peak=191 ppm1=4.726 ppm2=2.399

assign ( resid 14 and name HA
	 )
       ( resid 18 and name HG2
	 ) 4.2 0.8 0.8 volume=50219780.625 peak=192 ppm1=4.724 ppm2=2.284

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HG
	 ) 3.4 0.7 0.7 volume=187260200.000 peak=193 ppm1=4.726 ppm2=1.916

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HA
	 ) 3.1 0.6 0.6 volume=272277659.000 peak=194 ppm1=1.754 ppm2=4.735

assign ( resid 14 and name HA
	 )
       ( resid 18 and name HB3
	 ) 3.9 0.8 0.8 volume=70098578.250 peak=195 ppm1=4.725 ppm2=2.083

assign ( resid 14 and name HA
	 )
       ( resid 15 and name HG2#
	 ) 3.7 0.7 0.7 volume=101675904.000 peak=196 ppm1=4.724 ppm2=1.418

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HD1#
	 ) 2.6 0.5 0.5 volume=817325053.000 peak=197 ppm1=4.726 ppm2=0.860

assign ( resid 73 and name HA
	 )
       ( resid 74 and name H
	 ) 2.8 0.6 0.6 volume=526127471.000 peak=198 ppm1=4.751 ppm2=9.292

assign ( resid 73 and name HA
	 )
       ( resid 73 and name H
	 ) 3.6 0.7 0.7 volume=123059616.625 peak=199 ppm1=4.751 ppm2=8.556

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HD#
	 ) 3.2 0.6 0.6 volume=256838932.000 peak=204 ppm1=4.753 ppm2=7.032

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HE#
	 ) 4.4 0.9 0.9 volume=35716620.312 peak=205 ppm1=4.756 ppm2=6.857

assign ( resid 37 and name HA
	 )
       ( resid 37 and name H
	 ) 3.5 0.7 0.7 volume=157064227.750 peak=206 ppm1=4.754 ppm2=8.200

assign ( resid 37 and name HA
	 )
       ( resid 38 and name H
	 ) 4.1 0.8 0.8 volume=55353720.062 peak=207 ppm1=4.757 ppm2=8.834

assign ( resid 79 and name HA
	 )
       ( resid 79 and name H
	 ) 3.1 0.6 0.6 volume=274621710.000 peak=208 ppm1=3.844 ppm2=7.662

assign ( resid 79 and name HA
	 )
       ( resid 81 and name H
	 ) 4.5 0.9 0.9 volume=33847887.188 peak=209 ppm1=3.843 ppm2=8.024

assign ( resid 79 and name HA
	 )
       ( resid 49 and name HE#
	 ) 3.8 0.8 0.8 volume=90360814.125 peak=210 ppm1=3.844 ppm2=7.025

assign ( resid 79 and name HA
	 )
       ( resid 49 and name HD#
	 ) 3.8 0.8 0.8 volume=85225317.375 peak=211 ppm1=3.844 ppm2=6.912

assign ( resid 79 and name HA
	 )
       ( resid 81 and name HB2
	 ) 4.1 0.8 0.8 volume=52273942.625 peak=213 ppm1=3.845 ppm2=2.357

assign ( resid 79 and name HA
	 )
       ( resid 78 and name HB3
	 ) 4.4 0.9 0.9 volume=37361390.875 peak=214 ppm1=3.845 ppm2=1.750

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HB
	 ) 2.8 0.6 0.6 volume=577128581.000 peak=215 ppm1=3.844 ppm2=1.304

assign ( resid 79 and name HA
	 )
       ( resid 78 and name HD2#
	 ) 4.2 0.8 0.8 volume=46305528.812 peak=216 ppm1=3.843 ppm2=1.044

assign ( resid 79 and name HA
	 )
       ( resid 88 and name HG1#
	 ) 4.6 0.9 0.9 volume=28828283.812 peak=217 ppm1=3.841 ppm2=0.891

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG13
	 ) 3.8 0.8 0.8 volume=90721264.750 peak=218 ppm1=3.846 ppm2=0.643

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG12
	 ) 3.8 0.8 0.8 volume=93729227.500 peak=219 ppm1=3.845 ppm2=0.118

assign ( resid 79 and name HA
	 )
       ( resid 62 and name HD2#
	 ) 4.8 1.0 1.0 volume=22797646.613 peak=221 ppm1=3.842 ppm2=0.240

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 2.7 0.5 0.5 volume=544694902.000 peak=222 ppm1=3.844 ppm2=-0.145

assign ( resid 75 and name HB2
	 )
       ( resid 75 and name HB3
	 ) 2.3 0.5 0.5 volume=1632976728.000 peak=223 ppm1=3.692 ppm2=4.040

assign ( resid 75 and name HB3
	 )
       ( resid 75 and name H
	 ) 3.7 0.7 0.7 volume=104202302.875 peak=224 ppm1=4.037 ppm2=9.042

assign ( resid 75 and name HB2
	 )
       ( resid 75 and name H
	 ) 3.8 0.8 0.8 volume=92105621.250 peak=225 ppm1=3.692 ppm2=9.041

assign ( resid 67 and name HA
	 )
       ( resid 67 and name H
	 ) 3.2 0.6 0.6 volume=237972577.000 peak=226 ppm1=4.171 ppm2=8.888

assign ( resid 67 and name HA
	 )
       ( resid 71 and name H
	 ) 4.0 0.8 0.8 volume=65246844.500 peak=227 ppm1=4.173 ppm2=8.643

assign ( resid 67 and name HA
	 )
       ( resid 68 and name H
	 ) 3.9 0.8 0.8 volume=78044462.375 peak=228 ppm1=4.173 ppm2=8.287

assign ( resid 67 and name HA
	 )
       ( resid 72 and name H
	 ) 3.6 0.7 0.7 volume=119313401.500 peak=229 ppm1=4.171 ppm2=7.747

assign ( resid 67 and name HA
	 )
       ( resid 70 and name H
	 ) 4.3 0.9 0.9 volume=39890324.938 peak=230 ppm1=4.169 ppm2=7.614

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HE21
	 ) 4.1 0.8 0.8 volume=56286232.500 peak=231 ppm1=4.170 ppm2=7.430

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HB3
	 ) 3.2 0.6 0.6 volume=270253172.000 peak=232 ppm1=4.171 ppm2=2.281

assign ( resid 67 and name HG3
	 )
       ( resid 67 and name HA
	 ) 3.4 0.7 0.7 volume=172583582.500 peak=233 ppm1=2.861 ppm2=4.173

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HG2
	 ) 3.0 0.6 0.6 volume=335498717.000 peak=234 ppm1=4.172 ppm2=2.611

assign ( resid 67 and name HA
	 )
       ( resid 70 and name HG2#
	 ) 3.8 0.8 0.8 volume=95240517.250 peak=235 ppm1=4.172 ppm2=1.294

assign ( resid 67 and name HA
	 )
       ( resid 74 and name HD1#
	 ) 4.3 0.9 0.9 volume=43721745.938 peak=236 ppm1=4.166 ppm2=0.926

assign ( resid 67 and name HA
	 )
       ( resid 74 and name HD2#
	 ) 3.1 0.6 0.6 volume=278195775.500 peak=237 ppm1=4.171 ppm2=0.814

assign ( resid 54 and name HA
	 )
       ( resid 35 and name HD1#
	 ) 3.5 0.7 0.7 volume=143184803.250 peak=238 ppm1=4.085 ppm2=0.093

assign ( resid 54 and name HA
	 )
       ( resid 58 and name HG2#
	 ) 3.8 0.8 0.8 volume=89316612.750 peak=239 ppm1=4.088 ppm2=1.259

assign ( resid 54 and name HA
	 )
       ( resid 54 and name HE#
	 ) 4.4 0.9 0.9 volume=34522538.750 peak=242 ppm1=4.084 ppm2=7.230

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name HA
	 ) 3.3 0.7 0.7 volume=206205939.500 peak=243 ppm1=7.401 ppm2=4.131

assign ( resid 54 and name HA
	 )
       ( resid 54 and name H
	 ) 2.7 0.5 0.5 volume=696791375.000 peak=244 ppm1=4.085 ppm2=8.149

assign ( resid 54 and name HA
	 )
       ( resid 58 and name H
	 ) 4.3 0.9 0.9 volume=44912818.938 peak=245 ppm1=4.087 ppm2=9.040

assign ( resid 19 and name HA
	 )
       ( resid 19 and name H
	 ) 3.3 0.7 0.7 volume=220319296.500 peak=246 ppm1=3.845 ppm2=9.162

assign ( resid 19 and name HA
	 )
       ( resid 22 and name H
	 ) 3.6 0.7 0.7 volume=115658421.250 peak=247 ppm1=3.847 ppm2=8.518

assign ( resid 19 and name HA
	 )
       ( resid 20 and name H
	 ) 3.7 0.7 0.7 volume=109286085.000 peak=248 ppm1=3.843 ppm2=8.009

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HE21
	 ) 4.3 0.9 0.9 volume=39682203.750 peak=249 ppm1=3.840 ppm2=7.159

assign ( resid 92 and name HA
	 )
       ( resid 92 and name H
	 ) 3.2 0.6 0.6 volume=256089193.500 peak=250 ppm1=3.595 ppm2=8.441

assign ( resid 92 and name HA
	 )
       ( resid 93 and name H
	 ) 3.7 0.7 0.7 volume=97621554.875 peak=251 ppm1=3.594 ppm2=7.645

assign ( resid 92 and name HA
	 )
       ( resid 95 and name H
	 ) 3.8 0.8 0.8 volume=87917669.625 peak=252 ppm1=3.595 ppm2=7.473

assign ( resid 92 and name HA
	 )
       ( resid 95 and name HE21
	 ) 3.9 0.8 0.8 volume=78176065.250 peak=253 ppm1=3.595 ppm2=6.624

assign ( resid 92 and name HA
	 )
       ( resid 95 and name HE22
	 ) 4.6 0.9 0.9 volume=27866559.812 peak=254 ppm1=3.595 ppm2=6.412

assign ( resid 91 and name HD2
	 )
       ( resid 92 and name HA
	 ) 4.2 0.8 0.8 volume=45690613.125 peak=255 ppm1=6.184 ppm2=3.600

assign ( resid 92 and name HA
	 )
       ( resid 91 and name HA
	 ) 4.4 0.9 0.9 volume=37249867.250 peak=256 ppm1=3.595 ppm2=4.202

assign ( resid 92 and name HA
	 )
       ( resid 95 and name HB3
	 ) 3.2 0.6 0.6 volume=240075752.500 peak=257 ppm1=3.594 ppm2=2.266

assign ( resid 92 and name HA
	 )
       ( resid 92 and name HB2
	 ) 3.5 0.7 0.7 volume=134374581.000 peak=260 ppm1=3.595 ppm2=0.910

assign ( resid 93 and name HA
	 )
       ( resid 93 and name HB3
	 ) 2.8 0.6 0.6 volume=503459445.000 peak=262 ppm1=3.891 ppm2=1.829

assign ( resid 96 and name HG13
	 )
       ( resid 93 and name HA
	 ) 3.4 0.7 0.7 volume=115822277.250 peak=263 ppm1=1.648 ppm2=3.895

assign ( resid 93 and name HB2
	 )
       ( resid 93 and name HA
	 ) 2.9 0.6 0.6 volume=408760278.000 peak=264 ppm1=1.489 ppm2=3.888

assign ( resid 93 and name HA
	 )
       ( resid 93 and name HD1#
	 ) 4.7 0.9 0.9 volume=25864321.812 peak=266 ppm1=3.880 ppm2=1.072

assign ( resid 93 and name HA
	 )
       ( resid 96 and name HG2#
	 ) 3.8 0.8 0.8 volume=93064043.000 peak=267 ppm1=3.887 ppm2=0.926

assign ( resid 93 and name HA
	 )
       ( resid 92 and name H
	 ) 4.6 0.9 0.9 volume=28061877.359 peak=269 ppm1=3.898 ppm2=8.446

assign ( resid 93 and name HA
	 )
       ( resid 93 and name H
	 ) 3.1 0.6 0.6 volume=324128530.000 peak=270 ppm1=3.891 ppm2=7.645

assign ( resid 93 and name HA
	 )
       ( resid 95 and name H
	 ) 4.0 0.8 0.8 volume=60324612.688 peak=271 ppm1=3.884 ppm2=7.466

assign ( resid 93 and name HA
	 )
       ( resid 96 and name H
	 ) 3.7 0.7 0.7 volume=102339096.875 peak=272 ppm1=3.892 ppm2=7.309

assign ( resid 12 and name HA
	 )
       ( resid 11 and name H
	 ) 4.4 0.9 0.9 volume=37104653.438 peak=273 ppm1=4.128 ppm2=7.607

assign ( resid 12 and name HA
	 )
       ( resid 12 and name H
	 ) 2.9 0.6 0.6 volume=455754028.000 peak=274 ppm1=4.130 ppm2=7.338

assign ( resid 12 and name HA
	 )
       ( resid 19 and name HE21
	 ) 4.0 0.8 0.8 volume=63416428.562 peak=275 ppm1=4.129 ppm2=7.175

assign ( resid 12 and name HA
	 )
       ( resid 13 and name H
	 ) 3.4 0.7 0.7 volume=160710641.750 peak=276 ppm1=4.130 ppm2=8.746

assign ( resid 12 and name HA
	 )
       ( resid 19 and name HE22
	 ) 4.1 0.8 0.8 volume=54378849.375 peak=277 ppm1=4.132 ppm2=6.809

assign ( resid 12 and name HA
	 )
       ( resid 99 and name HB
	 ) 4.1 0.8 0.8 volume=56139736.656 peak=279 ppm1=4.128 ppm2=1.953

assign ( resid 12 and name HA
	 )
       ( resid 11 and name HB2
	 ) 4.3 0.9 0.9 volume=43817580.938 peak=280 ppm1=4.133 ppm2=1.776

assign ( resid 69 and name HA
	 )
       ( resid 68 and name HG2#
	 ) 3.3 0.7 0.7 volume=219642120.750 peak=282 ppm1=4.315 ppm2=1.257

assign ( resid 69 and name HA
	 )
       ( resid 26 and name HD1#
	 ) 3.4 0.7 0.7 volume=170475693.750 peak=283 ppm1=4.321 ppm2=0.920

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB#
	 ) 2.4 0.5 0.5 volume=1477048158.000 peak=284 ppm1=4.323 ppm2=1.544

assign ( resid 69 and name HA
	 )
       ( resid 68 and name H
	 ) 4.6 0.9 0.9 volume=29095441.094 peak=285 ppm1=4.326 ppm2=8.289

assign ( resid 69 and name HA
	 )
       ( resid 69 and name H
	 ) 3.0 0.6 0.6 volume=370847549.500 peak=286 ppm1=4.323 ppm2=8.010

assign ( resid 69 and name HA
	 )
       ( resid 70 and name H
	 ) 3.9 0.8 0.8 volume=78708177.125 peak=287 ppm1=4.321 ppm2=7.635

assign ( resid 38 and name HB#
	 )
       ( resid 38 and name HA
	 ) 2.2 0.4 0.4 volume=2060953272.000 peak=288 ppm1=1.483 ppm2=4.350

assign ( resid 38 and name HA
	 )
       ( resid 39 and name H
	 ) 3.8 0.8 0.8 volume=90228087.875 peak=289 ppm1=4.347 ppm2=8.028

assign ( resid 4 and name HA
	 )
       ( resid 7 and name H
	 ) 4.5 0.9 0.9 volume=31170476.688 peak=290 ppm1=4.426 ppm2=8.307

assign ( resid 4 and name HA
	 )
       ( resid 5 and name H
	 ) 3.4 0.7 0.7 volume=162168306.000 peak=291 ppm1=4.426 ppm2=8.148

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HD1#
	 ) 2.5 0.5 0.5 volume=1099499060.000 peak=293 ppm1=3.998 ppm2=0.096

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HG
	 ) 3.6 0.7 0.7 volume=130393444.250 peak=294 ppm1=3.999 ppm2=1.009

assign ( resid 35 and name HA
	 )
       ( resid 34 and name HG1#
	 ) 4.4 0.9 0.9 volume=36911264.750 peak=295 ppm1=3.996 ppm2=0.859

assign ( resid 35 and name HB2
	 )
       ( resid 35 and name HA
	 ) 2.9 0.6 0.6 volume=464351670.000 peak=297 ppm1=1.384 ppm2=4.003

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HB3
	 ) 3.0 0.6 0.6 volume=361016864.500 peak=298 ppm1=3.998 ppm2=1.169

assign ( resid 35 and name HA
	 )
       ( resid 34 and name HB
	 ) 4.4 0.9 0.9 volume=35401791.250 peak=299 ppm1=3.997 ppm2=2.251

assign ( resid 35 and name HA
	 )
       ( resid 36 and name H
	 ) 3.7 0.7 0.7 volume=98923977.500 peak=300 ppm1=3.997 ppm2=7.769

assign ( resid 35 and name HA
	 )
       ( resid 35 and name H
	 ) 3.1 0.6 0.6 volume=299093384.000 peak=301 ppm1=3.997 ppm2=7.647

assign ( resid 11 and name HA
	 )
       ( resid 11 and name H
	 ) 3.3 0.7 0.7 volume=221738723.500 peak=302 ppm1=4.345 ppm2=7.607

assign ( resid 11 and name HA
	 )
       ( resid 12 and name H
	 ) 3.5 0.7 0.7 volume=143967141.250 peak=303 ppm1=4.346 ppm2=7.338

assign ( resid 11 and name HA
	 )
       ( resid 19 and name HE21
	 ) 4.5 0.9 0.9 volume=34018359.875 peak=304 ppm1=4.347 ppm2=7.153

assign ( resid 11 and name HA
	 )
       ( resid 19 and name HE22
	 ) 4.6 0.9 0.9 volume=27893848.062 peak=305 ppm1=4.349 ppm2=6.814

assign ( resid 19 and name HA
	 )
       ( resid 11 and name HA
	 ) 4.1 0.8 0.8 volume=53820564.625 peak=306 ppm1=3.844 ppm2=4.349

assign ( resid 19 and name HG3
	 )
       ( resid 11 and name HA
	 ) 4.2 0.8 0.8 volume=47204024.062 peak=307 ppm1=2.862 ppm2=4.364

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HD2#
	 ) 2.7 0.5 0.5 volume=684457139.000 peak=308 ppm1=4.345 ppm2=0.897

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HD2#
	 ) 2.5 0.5 0.5 volume=1018582346.000 peak=309 ppm1=4.345 ppm2=0.773

assign ( resid 96 and name HD1#
	 )
       ( resid 97 and name HD2
	 ) 3.0 0.6 0.6 volume=68781740.875 peak=310 ppm1=0.732 ppm2=3.898

assign ( resid 96 and name HG2#
	 )
       ( resid 97 and name HD3
	 ) 2.8 0.6 0.6 volume=337232806.500 peak=312 ppm1=0.911 ppm2=3.693

assign ( resid 97 and name HD2
	 )
       ( resid 96 and name HG2#
	 ) 3.0 0.6 0.6 volume=243521609.000 peak=313 ppm1=3.918 ppm2=0.908

assign ( resid 97 and name HG2
	 )
       ( resid 97 and name HD2
	 ) 2.8 0.6 0.6 volume=527616357.000 peak=315 ppm1=1.997 ppm2=3.922

assign ( resid 97 and name HD2
	 )
       ( resid 96 and name HG13
	 ) 4.5 0.9 0.9 volume=33048362.875 peak=316 ppm1=3.919 ppm2=1.642

assign ( resid 97 and name HG3
	 )
       ( resid 97 and name HD3
	 ) 2.6 0.5 0.5 volume=778071900.000 peak=317 ppm1=2.062 ppm2=3.675

assign ( resid 97 and name HD3
	 )
       ( resid 97 and name HB2
	 ) 3.2 0.6 0.6 volume=245385904.500 peak=319 ppm1=3.673 ppm2=2.305

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HD3
	 ) 2.3 0.5 0.5 volume=1745451216.000 peak=320 ppm1=3.918 ppm2=3.679

assign ( resid 97 and name HD3
	 )
       ( resid 96 and name HA
	 ) 2.7 0.5 0.5 volume=615567027.000 peak=323 ppm1=3.675 ppm2=4.334

assign ( resid 96 and name HA
	 )
       ( resid 97 and name HD2
	 ) 2.7 0.5 0.5 volume=682350755.000 peak=325 ppm1=4.331 ppm2=3.921

assign ( resid 83 and name HD2
	 )
       ( resid 83 and name HD3
	 ) 2.6 0.5 0.5 volume=814415176.000 peak=326 ppm1=3.423 ppm2=3.673

assign ( resid 83 and name HD3
	 )
       ( resid 82 and name HA
	 ) 3.5 0.7 0.7 volume=138061372.500 peak=328 ppm1=3.669 ppm2=4.970

assign ( resid 83 and name HD2
	 )
       ( resid 82 and name HA
	 ) 3.5 0.7 0.7 volume=144493610.250 peak=329 ppm1=3.424 ppm2=4.971

assign ( resid 83 and name HD3
	 )
       ( resid 82 and name H
	 ) 4.3 0.9 0.9 volume=41772878.688 peak=330 ppm1=3.671 ppm2=7.689

assign ( resid 83 and name HD2
	 )
       ( resid 82 and name H
	 ) 4.2 0.8 0.8 volume=51209170.875 peak=331 ppm1=3.423 ppm2=7.686

assign ( resid 83 and name HD2
	 )
       ( resid 84 and name H
	 ) 4.2 0.8 0.8 volume=45626448.125 peak=332 ppm1=3.423 ppm2=7.331

assign ( resid 83 and name HD3
	 )
       ( resid 82 and name HB3
	 ) 4.6 0.9 0.9 volume=27389529.500 peak=333 ppm1=3.672 ppm2=3.112

assign ( resid 82 and name HB3
	 )
       ( resid 83 and name HD2
	 ) 3.5 0.7 0.7 volume=29449553.250 peak=334 ppm1=3.121 ppm2=3.421

assign ( resid 83 and name HD3
	 )
       ( resid 87 and name HB#
	 ) 3.2 0.6 0.6 volume=233330254.000 peak=335 ppm1=3.670 ppm2=1.743

assign ( resid 83 and name HD2
	 )
       ( resid 87 and name HB#
	 ) 3.4 0.7 0.7 volume=160867100.750 peak=336 ppm1=3.423 ppm2=1.742

assign ( resid 83 and name HD2
	 )
       ( resid 83 and name HB3
	 ) 3.5 0.7 0.7 volume=138853588.500 peak=337 ppm1=3.422 ppm2=2.297

assign ( resid 83 and name HD2
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HG2
	 ) 3.3 0.7 0.7 volume=222342121.000 peak=339 ppm1=3.424 ppm2=1.953

assign ( resid 83 and name HD2
	 )
       ( resid 84 and name HG2#
	 ) 4.5 0.9 0.9 volume=32275220.719 peak=340 ppm1=3.428 ppm2=1.012

assign ( resid 71 and name HA3
	 )
       ( resid 3 and name HG2#
	 ) 3.8 0.8 0.8 volume=86840004.625 peak=341 ppm1=4.339 ppm2=1.253

assign ( resid 71 and name HA3
	 )
       ( resid 6 and name HD2#
	 ) 3.6 0.7 0.7 volume=125655870.000 peak=342 ppm1=4.332 ppm2=0.907

assign ( resid 71 and name HA3
	 )
       ( resid 6 and name HB3
	 ) 4.2 0.8 0.8 volume=46501042.312 peak=343 ppm1=4.328 ppm2=1.671

assign ( resid 71 and name HA3
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HG
	 or resid 72 and name HB3
	 ) 4.0 0.8 0.8 volume=62556196.250 peak=344 ppm1=4.334 ppm2=1.567

assign ( resid 71 and name HA3
	 )
       ( resid 71 and name HA2
	 ) 2.5 0.5 0.5 volume=994523846.000 peak=346 ppm1=4.329 ppm2=3.879

assign ( resid 71 and name HA3
	 )
       ( resid 72 and name H
	 ) 3.8 0.8 0.8 volume=82212892.000 peak=347 ppm1=4.329 ppm2=7.741

assign ( resid 71 and name HA3
	 )
       ( resid 71 and name H
	 ) 3.1 0.6 0.6 volume=295827047.500 peak=348 ppm1=4.329 ppm2=8.647

assign ( resid 71 and name HA2
	 )
       ( resid 71 and name H
	 ) 3.0 0.6 0.6 volume=380519343.000 peak=349 ppm1=3.874 ppm2=8.648

assign ( resid 53 and name HA2
	 )
       ( resid 35 and name HD2#
	 ) 4.5 0.9 0.9 volume=33012616.312 peak=350 ppm1=4.397 ppm2=0.627

assign ( resid 13 and name HA2
	 )
       ( resid 13 and name HA3
	 ) 2.2 0.4 0.4 volume=2072923148.000 peak=351 ppm1=4.080 ppm2=3.833

assign ( resid 100 and name HA3
	 )
       ( resid 100 and name H
	 ) 2.8 0.6 0.6 volume=609700698.000 peak=353 ppm1=3.839 ppm2=8.205

assign ( resid 100 and name HA2
	 )
       ( resid 100 and name H
	 ) 2.9 0.6 0.6 volume=482232272.000 peak=354 ppm1=3.764 ppm2=8.205

assign ( resid 100 and name HA2
	 )
       ( resid 99 and name HB
	 ) 4.3 0.9 0.9 volume=37029117.875 peak=355 ppm1=3.840 ppm2=1.945

assign ( resid 100 and name HA2
	 )
       ( resid 99 and name HG13
	 ) 3.7 0.7 0.7 volume=70010689.750 peak=356 ppm1=3.760 ppm2=1.492

assign ( resid 100 and name HA2
	 )
       ( resid 99 and name HD1#
	 ) 3.7 0.7 0.7 volume=107625074.500 peak=357 ppm1=3.762 ppm2=0.808

assign ( resid 100 and name HA3
	 )
       ( resid 99 and name HD1#
	 ) 3.7 0.7 0.7 volume=111001456.000 peak=358 ppm1=3.841 ppm2=0.820

assign ( resid 98 and name HA2
	 )
       ( resid 99 and name HG12
	 ) 3.9 0.8 0.8 volume=76306980.625 peak=361 ppm1=3.968 ppm2=1.292

assign ( resid 98 and name HA2
	 )
       ( resid 96 and name HG2#
	 or resid 99 and name HG2#
	 ) 3.7 0.7 0.7 volume=99136709.875 peak=362 ppm1=3.966 ppm2=0.904

assign ( resid 98 and name HA2
	 )
       ( resid 99 and name H
	 ) 3.0 0.6 0.6 volume=348835834.500 peak=363 ppm1=3.965 ppm2=7.811

assign ( resid 98 and name HA2
	 )
       ( resid 100 and name H
	 ) 4.4 0.9 0.9 volume=36270568.500 peak=364 ppm1=3.967 ppm2=8.205

assign ( resid 98 and name HA2
	 )
       ( resid 98 and name H
	 ) 3.0 0.6 0.6 volume=346029973.500 peak=365 ppm1=3.965 ppm2=8.523

assign ( resid 13 and name HA3
	 )
       ( resid 14 and name H
	 ) 3.6 0.7 0.7 volume=120149249.750 peak=366 ppm1=3.832 ppm2=7.373

assign ( resid 13 and name HA2
	 )
       ( resid 14 and name H
	 ) 3.6 0.7 0.7 volume=115009259.000 peak=367 ppm1=4.082 ppm2=7.374

assign ( resid 36 and name HA3
	 )
       ( resid 36 and name H
	 ) 3.0 0.6 0.6 volume=376047063.000 peak=368 ppm1=4.076 ppm2=7.765

assign ( resid 36 and name HA3
	 )
       ( resid 37 and name H
	 ) 3.7 0.7 0.7 volume=109946833.250 peak=369 ppm1=4.076 ppm2=8.202

assign ( resid 13 and name HA2
	 )
       ( resid 12 and name HB#
	 ) 3.9 0.8 0.8 volume=76358790.250 peak=370 ppm1=4.082 ppm2=1.459

assign ( resid 55 and name HB3
	 )
       ( resid 57 and name H
	 ) 4.2 0.8 0.8 volume=47439503.438 peak=371 ppm1=3.291 ppm2=8.361

assign ( resid 55 and name HB3
	 )
       ( resid 55 and name H
	 ) 4.2 0.8 0.8 volume=49898056.438 peak=372 ppm1=3.294 ppm2=8.146

assign ( resid 55 and name HB3
	 )
       ( resid 55 and name HA
	 ) 3.9 0.8 0.8 volume=70058598.500 peak=373 ppm1=3.292 ppm2=4.931

assign ( resid 55 and name HB2
	 )
       ( resid 55 and name HA
	 ) 3.9 0.8 0.8 volume=80503240.125 peak=374 ppm1=2.742 ppm2=4.930

assign ( resid 44 and name HB2
	 )
       ( resid 44 and name H
	 ) 3.2 0.6 0.6 volume=244081736.500 peak=376 ppm1=2.786 ppm2=8.323

assign ( resid 44 and name HB3
	 )
       ( resid 44 and name H
	 ) 3.2 0.6 0.6 volume=253248366.500 peak=377 ppm1=2.633 ppm2=8.320

assign ( resid 44 and name HB3
	 )
       ( resid 45 and name H
	 ) 4.5 0.9 0.9 volume=30018172.688 peak=378 ppm1=2.632 ppm2=8.129

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name H
	 ) 4.5 0.9 0.9 volume=31421919.375 peak=379 ppm1=2.639 ppm2=7.521

assign ( resid 44 and name HB2
	 )
       ( resid 47 and name H
	 ) 4.4 0.9 0.9 volume=35057613.250 peak=380 ppm1=2.784 ppm2=7.526

assign ( resid 44 and name HB3
	 )
       ( resid 44 and name HB2
	 ) 2.4 0.5 0.5 volume=1413893640.000 peak=383 ppm1=2.634 ppm2=2.790

assign ( resid 44 and name HB2
	 )
       ( resid 47 and name HB3
	 ) 3.7 0.7 0.7 volume=102653969.250 peak=385 ppm1=2.788 ppm2=1.947

assign ( resid 44 and name HB2
	 )
       ( resid 47 and name HG3
	 ) 3.8 0.8 0.8 volume=83634597.250 peak=386 ppm1=2.786 ppm2=2.393

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name HG3
	 ) 3.9 0.8 0.8 volume=78849363.375 peak=387 ppm1=2.634 ppm2=2.392

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name HG2
	 ) 4.0 0.8 0.8 volume=66501961.875 peak=389 ppm1=2.633 ppm2=2.319

assign ( resid 44 and name HB2
	 )
       ( resid 47 and name HB2
	 ) 4.0 0.8 0.8 volume=61718680.000 peak=390 ppm1=2.786 ppm2=2.068

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name HB2
	 ) 4.2 0.8 0.8 volume=50571511.062 peak=391 ppm1=2.634 ppm2=2.068

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name HB3
	 ) 3.8 0.8 0.8 volume=93449245.000 peak=392 ppm1=2.632 ppm2=1.946

assign ( resid 44 and name HB3
	 )
       ( resid 52 and name HD1#
	 or resid 84 and name HG2#
	 ) 4.5 0.9 0.9 volume=32163930.781 peak=393 ppm1=2.629 ppm2=1.009

assign ( resid 44 and name HB2
	 )
       ( resid 84 and name HG2#
	 ) 4.4 0.9 0.9 volume=35212173.688 peak=394 ppm1=2.787 ppm2=1.003

assign ( resid 80 and name HB2
	 )
       ( resid 80 and name HB3
	 ) 2.5 0.5 0.5 volume=998961026.000 peak=398 ppm1=2.889 ppm2=3.241

assign ( resid 80 and name HA
	 )
       ( resid 80 and name HB3
	 ) 2.9 0.6 0.6 volume=262652507.000 peak=399 ppm1=4.502 ppm2=3.235

assign ( resid 80 and name HB3
	 )
       ( resid 81 and name H
	 ) 3.5 0.7 0.7 volume=135288824.000 peak=401 ppm1=3.238 ppm2=8.028

assign ( resid 80 and name HB3
	 )
       ( resid 80 and name H
	 ) 3.3 0.7 0.7 volume=188986359.250 peak=402 ppm1=3.238 ppm2=7.586

assign ( resid 80 and name HB3
	 )
       ( resid 80 and name HE#
	 ) 4.4 0.9 0.9 volume=37151831.812 peak=403 ppm1=3.237 ppm2=7.246

assign ( resid 80 and name HB2
	 )
       ( resid 80 and name HE#
	 ) 4.4 0.9 0.9 volume=37344854.188 peak=406 ppm1=2.888 ppm2=7.249

assign ( resid 80 and name HB2
	 )
       ( resid 81 and name H
	 ) 3.5 0.7 0.7 volume=155704811.000 peak=407 ppm1=2.892 ppm2=8.028

assign ( resid 80 and name HB2
	 )
       ( resid 80 and name H
	 ) 3.3 0.7 0.7 volume=216760621.250 peak=408 ppm1=2.888 ppm2=7.587

assign ( resid 29 and name HB2
	 )
       ( resid 29 and name H
	 ) 3.1 0.6 0.6 volume=326475805.000 peak=409 ppm1=2.603 ppm2=9.300

assign ( resid 29 and name HB3
	 )
       ( resid 29 and name H
	 ) 3.0 0.6 0.6 volume=383024268.500 peak=410 ppm1=2.968 ppm2=9.300

assign ( resid 29 and name HB3
	 )
       ( resid 30 and name H
	 ) 3.3 0.7 0.7 volume=214053260.000 peak=411 ppm1=2.968 ppm2=8.298

assign ( resid 29 and name HB2
	 )
       ( resid 30 and name H
	 ) 3.4 0.7 0.7 volume=182631901.000 peak=412 ppm1=2.603 ppm2=8.299

assign ( resid 67 and name HG3
	 )
       ( resid 74 and name H
	 ) 4.1 0.8 0.8 volume=52309268.875 peak=413 ppm1=2.862 ppm2=9.294

assign ( resid 67 and name HG2
	 )
       ( resid 74 and name H
	 ) 4.0 0.8 0.8 volume=65380696.750 peak=414 ppm1=2.628 ppm2=9.294

assign ( resid 67 and name HG3
	 )
       ( resid 67 and name H
	 ) 3.4 0.7 0.7 volume=175856528.750 peak=415 ppm1=2.860 ppm2=8.886

assign ( resid 67 and name HG2
	 )
       ( resid 67 and name H
	 ) 3.6 0.7 0.7 volume=117617593.750 peak=416 ppm1=2.632 ppm2=8.885

assign ( resid 79 and name HB
	 )
       ( resid 49 and name HE#
	 or resid 80 and name HZ
	 ) 3.9 0.8 0.8 volume=73051864.375 peak=417 ppm1=1.290 ppm2=7.021

assign ( resid 79 and name HB
	 )
       ( resid 49 and name HD#
	 ) 3.5 0.7 0.7 volume=137930007.250 peak=418 ppm1=1.289 ppm2=6.914

assign ( resid 79 and name HB
	 )
       ( resid 79 and name H
	 ) 3.2 0.6 0.6 volume=248988029.000 peak=419 ppm1=1.290 ppm2=7.654

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG12
	 ) 3.3 0.7 0.7 volume=203035217.500 peak=420 ppm1=1.289 ppm2=0.116

assign ( resid 79 and name HD1#
	 )
       ( resid 79 and name HB
	 ) 2.6 0.5 0.5 volume=401754821.000 peak=421 ppm1=0.006 ppm2=1.300

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG13
	 ) 3.4 0.7 0.7 volume=180615565.250 peak=423 ppm1=1.294 ppm2=0.644

assign ( resid 79 and name HB
	 )
       ( resid 49 and name HB3
	 ) 4.0 0.8 0.8 volume=68112561.875 peak=424 ppm1=1.295 ppm2=2.700

assign ( resid 58 and name HG2#
	 )
       ( resid 58 and name H
	 ) 2.9 0.6 0.6 volume=451269186.000 peak=426 ppm1=1.247 ppm2=8.993

assign ( resid 58 and name HG2#
	 )
       ( resid 57 and name H
	 ) 4.1 0.8 0.8 volume=58175710.562 peak=427 ppm1=1.254 ppm2=8.367

assign ( resid 58 and name HG2#
	 )
       ( resid 55 and name H
	 ) 4.0 0.8 0.8 volume=69032693.688 peak=428 ppm1=1.253 ppm2=8.156

assign ( resid 54 and name HD#
	 )
       ( resid 58 and name HG2#
	 ) 3.8 0.8 0.8 volume=82038970.625 peak=429 ppm1=7.403 ppm2=1.261

assign ( resid 58 and name HG2#
	 )
       ( resid 54 and name HE#
	 ) 3.8 0.8 0.8 volume=89275177.469 peak=430 ppm1=1.245 ppm2=7.219

assign ( resid 58 and name HG2#
	 )
       ( resid 58 and name HA
	 ) 2.3 0.5 0.5 volume=1785157152.000 peak=431 ppm1=1.247 ppm2=4.132

assign ( resid 58 and name HG2#
	 )
       ( resid 61 and name HG2
	 ) 4.0 0.8 0.8 volume=62858172.062 peak=432 ppm1=1.247 ppm2=2.425

assign ( resid 57 and name HB3
	 )
       ( resid 58 and name HG2#
	 ) 3.5 0.7 0.7 volume=138214426.969 peak=435 ppm1=1.743 ppm2=1.247

assign ( resid 31 and name HB#
	 )
       ( resid 62 and name HD1#
	 ) 2.6 0.5 0.5 volume=943608328.000 peak=437 ppm1=1.680 ppm2=0.894

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name HD2#
	 ) 2.9 0.6 0.6 volume=453516421.000 peak=438 ppm1=1.680 ppm2=0.801

assign ( resid 31 and name HB#
	 )
       ( resid 35 and name HD1#
	 ) 4.1 0.8 0.8 volume=47104758.312 peak=441 ppm1=1.680 ppm2=0.103

assign ( resid 31 and name HB#
	 )
       ( resid 35 and name HB2
	 ) 3.6 0.7 0.7 volume=119804650.125 peak=442 ppm1=1.681 ppm2=1.358

assign ( resid 31 and name HB#
	 )
       ( resid 40 and name HG2#
	 ) 3.6 0.7 0.7 volume=116020925.250 peak=443 ppm1=1.681 ppm2=1.277

assign ( resid 31 and name HB#
	 )
       ( resid 34 and name HG2#
	 or resid 35 and name HG
	 or resid 52 and name HD1#
	 ) 4.0 0.8 0.8 volume=66266300.625 peak=445 ppm1=1.681 ppm2=1.015

assign ( resid 31 and name HB#
	 )
       ( resid 27 and name HB
	 or resid 34 and name HB
	 ) 3.7 0.7 0.7 volume=95798417.000 peak=446 ppm1=1.679 ppm2=2.276

assign ( resid 34 and name HB
	 )
       ( resid 31 and name HB#
	 ) 3.8 0.8 0.8 volume=54241830.062 peak=447 ppm1=2.259 ppm2=1.682

assign ( resid 31 and name HB#
	 )
       ( resid 30 and name HB3
	 ) 3.9 0.8 0.8 volume=77965060.500 peak=448 ppm1=1.680 ppm2=2.097

assign ( resid 31 and name HB#
	 )
       ( resid 30 and name HB2
	 ) 3.5 0.7 0.7 volume=152981780.250 peak=449 ppm1=1.680 ppm2=2.010

assign ( resid 32 and name HA
	 )
       ( resid 31 and name HB#
	 ) 3.7 0.7 0.7 volume=101652232.000 peak=452 ppm1=3.855 ppm2=1.672

assign ( resid 31 and name HB#
	 )
       ( resid 27 and name HA
	 ) 4.3 0.9 0.9 volume=42843144.688 peak=453 ppm1=1.679 ppm2=3.431

assign ( resid 31 and name HB#
	 )
       ( resid 34 and name H
	 ) 4.2 0.8 0.8 volume=47847453.750 peak=454 ppm1=1.684 ppm2=8.022

assign ( resid 31 and name HB#
	 )
       ( resid 33 and name H
	 ) 3.8 0.8 0.8 volume=88880852.875 peak=455 ppm1=1.679 ppm2=7.671

assign ( resid 31 and name HB#
	 )
       ( resid 54 and name HZ
	 or resid 54 and name HD#
	 ) 2.8 0.6 0.6 volume=537378084.000 peak=456 ppm1=1.680 ppm2=7.356

assign ( resid 49 and name HE#
	 )
       ( resid 31 and name HB#
	 ) 3.1 0.6 0.6 volume=304353686.000 peak=458 ppm1=7.017 ppm2=1.685

assign ( resid 49 and name HD#
	 )
       ( resid 31 and name HB#
	 ) 3.7 0.7 0.7 volume=111344243.250 peak=459 ppm1=6.919 ppm2=1.687

assign ( resid 31 and name HB#
	 )
       ( resid 31 and name H
	 ) 2.5 0.5 0.5 volume=1056106592.000 peak=461 ppm1=1.680 ppm2=8.907

assign ( resid 31 and name HB#
	 )
       ( resid 32 and name H
	 ) 2.8 0.6 0.6 volume=554372150.000 peak=462 ppm1=1.680 ppm2=8.758

assign ( resid 31 and name HB#
	 )
       ( resid 30 and name H
	 ) 3.7 0.7 0.7 volume=103878755.250 peak=463 ppm1=1.680 ppm2=8.308

assign ( resid 31 and name HB#
	 )
       ( resid 29 and name H
	 ) 4.6 0.9 0.9 volume=28807207.625 peak=464 ppm1=1.680 ppm2=9.304

assign ( resid 12 and name HA
	 )
       ( resid 99 and name HG2#
	 ) 3.7 0.7 0.7 volume=111889276.125 peak=465 ppm1=4.130 ppm2=0.903

assign ( resid 99 and name HG2#
	 )
       ( resid 99 and name H
	 ) 3.2 0.6 0.6 volume=257014445.250 peak=470 ppm1=0.908 ppm2=7.811

assign ( resid 99 and name HG2#
	 )
       ( resid 19 and name HE21
	 ) 4.0 0.8 0.8 volume=67642593.188 peak=471 ppm1=0.907 ppm2=7.162

assign ( resid 99 and name HG2#
	 )
       ( resid 19 and name HE22
	 ) 3.8 0.8 0.8 volume=84520719.562 peak=472 ppm1=0.902 ppm2=6.813

assign ( resid 35 and name HD1#
	 )
       ( resid 34 and name H
	 ) 4.6 0.9 0.9 volume=27305182.809 peak=473 ppm1=0.090 ppm2=8.020

assign ( resid 69 and name HB#
	 )
       ( resid 69 and name H
	 ) 2.5 0.5 0.5 volume=1031614644.000 peak=474 ppm1=1.536 ppm2=8.011

assign ( resid 69 and name HB#
	 )
       ( resid 70 and name H
	 ) 3.3 0.7 0.7 volume=199524881.375 peak=475 ppm1=1.537 ppm2=7.633

assign ( resid 69 and name HB#
	 )
       ( resid 30 and name HE21
	 ) 3.7 0.7 0.7 volume=107209411.000 peak=476 ppm1=1.535 ppm2=6.903

assign ( resid 69 and name HB#
	 )
       ( resid 67 and name H
	 ) 4.5 0.9 0.9 volume=31140851.500 peak=477 ppm1=1.534 ppm2=8.900

assign ( resid 69 and name HB#
	 )
       ( resid 66 and name H
	 ) 4.2 0.8 0.8 volume=50309391.438 peak=478 ppm1=1.537 ppm2=8.777

assign ( resid 69 and name HB#
	 )
       ( resid 71 and name H
	 ) 4.2 0.8 0.8 volume=45163469.688 peak=479 ppm1=1.536 ppm2=8.647

assign ( resid 69 and name HB#
	 )
       ( resid 68 and name H
	 ) 3.7 0.7 0.7 volume=98963587.375 peak=480 ppm1=1.535 ppm2=8.294

assign ( resid 69 and name HB#
	 )
       ( resid 70 and name HA
	 ) 3.8 0.8 0.8 volume=85713554.750 peak=483 ppm1=1.542 ppm2=4.512

assign ( resid 69 and name HB#
	 )
       ( resid 68 and name HA
	 or resid 71 and name HA2
	 ) 4.2 0.8 0.8 volume=45807482.719 peak=484 ppm1=1.534 ppm2=3.903

assign ( resid 69 and name HB#
	 )
       ( resid 65 and name HB2
	 ) 4.5 0.9 0.9 volume=33819455.844 peak=485 ppm1=1.534 ppm2=3.621

assign ( resid 69 and name HB#
	 )
       ( resid 29 and name HB3
	 ) 4.5 0.9 0.9 volume=33966385.551 peak=486 ppm1=1.536 ppm2=2.968

assign ( resid 69 and name HB#
	 )
       ( resid 30 and name HB2
	 or resid 66 and name HB3
	 ) 3.5 0.7 0.7 volume=148634624.750 peak=488 ppm1=1.535 ppm2=2.035

assign ( resid 69 and name HB#
	 )
       ( resid 26 and name HD2#
	 or resid 66 and name HD2#
	 ) 2.5 0.5 0.5 volume=1002697835.000 peak=490 ppm1=1.536 ppm2=0.774

assign ( resid 38 and name HB#
	 )
       ( resid 37 and name HA
	 ) 3.6 0.7 0.7 volume=43513635.500 peak=492 ppm1=1.482 ppm2=4.752

assign ( resid 38 and name HB#
	 )
       ( resid 39 and name H
	 ) 3.7 0.7 0.7 volume=96125824.125 peak=493 ppm1=1.483 ppm2=8.028

assign ( resid 38 and name HB#
	 )
       ( resid 38 and name H
	 ) 4.0 0.8 0.8 volume=68584058.875 peak=494 ppm1=1.483 ppm2=8.849

assign ( resid 12 and name HB#
	 )
       ( resid 13 and name H
	 ) 3.7 0.7 0.7 volume=107155154.000 peak=495 ppm1=1.466 ppm2=8.749

assign ( resid 12 and name HB#
	 )
       ( resid 12 and name H
	 ) 2.4 0.5 0.5 volume=1438507676.000 peak=496 ppm1=1.458 ppm2=7.333

assign ( resid 12 and name HB#
	 )
       ( resid 11 and name H
	 ) 3.6 0.7 0.7 volume=131867094.875 peak=497 ppm1=1.456 ppm2=7.609

assign ( resid 12 and name HB#
	 )
       ( resid 10 and name H
	 ) 4.2 0.8 0.8 volume=47745119.469 peak=498 ppm1=1.463 ppm2=7.752

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HB#
	 ) 3.0 0.6 0.6 volume=294681973.250 peak=499 ppm1=4.300 ppm2=1.462

assign ( resid 12 and name HB#
	 )
       ( resid 12 and name HA
	 ) 2.4 0.5 0.5 volume=1029979266.000 peak=500 ppm1=1.458 ppm2=4.132

assign ( resid 21 and name HB#
	 )
       ( resid 22 and name H
	 ) 2.7 0.5 0.5 volume=713664063.000 peak=501 ppm1=1.581 ppm2=8.516

assign ( resid 21 and name HB#
	 )
       ( resid 19 and name H
	 ) 4.5 0.9 0.9 volume=31329765.375 peak=502 ppm1=1.584 ppm2=9.161

assign ( resid 21 and name HB#
	 )
       ( resid 21 and name H
	 ) 2.4 0.5 0.5 volume=1406608010.000 peak=503 ppm1=1.581 ppm2=7.705

assign ( resid 21 and name HB#
	 )
       ( resid 22 and name HA
	 ) 3.5 0.7 0.7 volume=138724115.250 peak=505 ppm1=1.580 ppm2=3.714

assign ( resid 21 and name HB#
	 )
       ( resid 14 and name HD2#
	 or resid 14 and name HD1#
	 or resid 22 and name HG1#
	 ) 3.4 0.7 0.7 volume=185328311.250 peak=506 ppm1=1.580 ppm2=0.879

assign ( resid 32 and name HB#
	 )
       ( resid 32 and name H
	 ) 2.5 0.5 0.5 volume=1171790352.000 peak=507 ppm1=1.522 ppm2=8.757

assign ( resid 32 and name HB#
	 )
       ( resid 33 and name H
	 ) 2.8 0.6 0.6 volume=605720077.500 peak=508 ppm1=1.522 ppm2=7.682

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name H
	 ) 2.7 0.5 0.5 volume=622730510.000 peak=509 ppm1=1.420 ppm2=8.876

assign ( resid 15 and name HG2#
	 )
       ( resid 16 and name H
	 ) 4.0 0.8 0.8 volume=62858206.812 peak=510 ppm1=1.418 ppm2=9.092

assign ( resid 15 and name HG2#
	 )
       ( resid 18 and name H
	 ) 3.9 0.8 0.8 volume=78009154.750 peak=511 ppm1=1.417 ppm2=7.611

assign ( resid 15 and name HG2#
	 )
       ( resid 17 and name H
	 ) 4.4 0.9 0.9 volume=38843654.375 peak=512 ppm1=1.419 ppm2=8.235

assign ( resid 15 and name HG2#
	 )
       ( resid 14 and name H
	 ) 4.6 0.9 0.9 volume=28228504.344 peak=513 ppm1=1.419 ppm2=7.377

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG2#
	 ) 2.7 0.5 0.5 volume=418321010.000 peak=515 ppm1=4.391 ppm2=1.424

assign ( resid 15 and name HG2#
	 )
       ( resid 18 and name HB2
	 ) 3.6 0.7 0.7 volume=132377277.875 peak=517 ppm1=1.420 ppm2=2.390

assign ( resid 70 and name HG2#
	 )
       ( resid 26 and name HD2#
	 ) 2.2 0.4 0.4 volume=2530419114.000 peak=518 ppm1=1.297 ppm2=0.778

assign ( resid 70 and name HG2#
	 )
       ( resid 70 and name H
	 ) 2.9 0.6 0.6 volume=451573504.000 peak=519 ppm1=1.299 ppm2=7.625

assign ( resid 68 and name HG2#
	 )
       ( resid 69 and name H
	 ) 3.1 0.6 0.6 volume=316923458.500 peak=520 ppm1=1.258 ppm2=8.012

assign ( resid 68 and name HG2#
	 )
       ( resid 68 and name H
	 ) 3.1 0.6 0.6 volume=302757485.500 peak=521 ppm1=1.255 ppm2=8.285

assign ( resid 27 and name HG2#
	 )
       ( resid 27 and name HA
	 ) 2.8 0.6 0.6 volume=588283924.000 peak=523 ppm1=1.153 ppm2=3.440

assign ( resid 77 and name HG2#
	 )
       ( resid 77 and name HA
	 ) 2.6 0.5 0.5 volume=592563023.000 peak=524 ppm1=1.135 ppm2=4.409

assign ( resid 77 and name HG2#
	 )
       ( resid 77 and name H
	 ) 3.1 0.6 0.6 volume=286878835.750 peak=528 ppm1=1.135 ppm2=7.880

assign ( resid 84 and name HG2#
	 )
       ( resid 84 and name H
	 ) 3.3 0.7 0.7 volume=209872856.500 peak=529 ppm1=1.000 ppm2=7.326

assign ( resid 23 and name HG2#
	 )
       ( resid 92 and name H
	 ) 3.8 0.8 0.8 volume=90550464.000 peak=530 ppm1=1.234 ppm2=8.443

assign ( resid 23 and name HG2#
	 )
       ( resid 24 and name H
	 ) 3.4 0.7 0.7 volume=181773587.750 peak=531 ppm1=1.234 ppm2=8.566

assign ( resid 23 and name HG2#
	 )
       ( resid 26 and name H
	 ) 3.9 0.8 0.8 volume=78330667.438 peak=532 ppm1=1.232 ppm2=7.792

assign ( resid 62 and name HD2#
	 )
       ( resid 63 and name H
	 ) 3.7 0.7 0.7 volume=100382473.500 peak=534 ppm1=0.235 ppm2=7.644

assign ( resid 54 and name HZ
	 )
       ( resid 62 and name HD2#
	 ) 3.2 0.6 0.6 volume=226782818.250 peak=535 ppm1=7.353 ppm2=0.241

assign ( resid 62 and name HD2#
	 )
       ( resid 31 and name H
	 ) 4.2 0.8 0.8 volume=46829878.875 peak=540 ppm1=0.237 ppm2=8.904

assign ( resid 62 and name HD2#
	 )
       ( resid 66 and name H
	 ) 4.5 0.9 0.9 volume=31484538.098 peak=541 ppm1=0.239 ppm2=8.773

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name H
	 ) 3.6 0.7 0.7 volume=131376160.625 peak=542 ppm1=0.236 ppm2=8.495

assign ( resid 62 and name HD2#
	 )
       ( resid 31 and name HA
	 ) 3.3 0.7 0.7 volume=213226776.000 peak=543 ppm1=0.238 ppm2=4.184

assign ( resid 62 and name HD2#
	 )
       ( resid 63 and name HA
	 ) 4.6 0.9 0.9 volume=28978516.672 peak=546 ppm1=0.239 ppm2=3.635

assign ( resid 62 and name HD2#
	 )
       ( resid 34 and name HB
	 ) 4.2 0.8 0.8 volume=51839340.312 peak=547 ppm1=0.237 ppm2=2.265

assign ( resid 62 and name HD2#
	 )
       ( resid 63 and name HB3
	 ) 3.8 0.8 0.8 volume=87978875.625 peak=548 ppm1=0.237 ppm2=2.038

assign ( resid 62 and name HD2#
	 )
       ( resid 31 and name HB#
	 ) 2.9 0.6 0.6 volume=389980754.500 peak=550 ppm1=0.237 ppm2=1.685

assign ( resid 27 and name HG2#
	 )
       ( resid 62 and name HD2#
	 ) 3.5 0.7 0.7 volume=156672947.000 peak=553 ppm1=1.153 ppm2=0.247

assign ( resid 62 and name HD2#
	 )
       ( resid 34 and name HG2#
	 ) 3.8 0.8 0.8 volume=91418538.125 peak=554 ppm1=0.239 ppm2=1.033

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HD1#
	 ) 2.5 0.5 0.5 volume=1203409358.000 peak=555 ppm1=0.237 ppm2=0.891

assign ( resid 62 and name HD2#
	 )
       ( resid 66 and name HD2#
	 ) 2.9 0.6 0.6 volume=414150769.000 peak=556 ppm1=0.237 ppm2=0.754

assign ( resid 84 and name HA
	 )
       ( resid 85 and name HD2
	 ) 3.2 0.6 0.6 volume=236540233.500 peak=557 ppm1=4.446 ppm2=3.795

assign ( resid 85 and name HD2
	 )
       ( resid 86 and name H
	 ) 4.0 0.8 0.8 volume=64726989.188 peak=558 ppm1=3.798 ppm2=8.565

assign ( resid 85 and name HD2
	 )
       ( resid 84 and name H
	 ) 4.6 0.9 0.9 volume=27022594.250 peak=559 ppm1=3.792 ppm2=7.331

assign ( resid 85 and name HD2
	 )
       ( resid 49 and name HE#
	 ) 4.6 0.9 0.9 volume=28597042.750 peak=560 ppm1=3.790 ppm2=7.030

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HD3
	 ) 2.9 0.6 0.6 volume=437722156.000 peak=561 ppm1=3.793 ppm2=2.502

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HB2
	 ) 3.2 0.6 0.6 volume=249699244.000 peak=562 ppm1=3.792 ppm2=2.004

assign ( resid 85 and name HD2
	 )
       ( resid 27 and name HG2#
	 ) 4.5 0.9 0.9 volume=32075417.625 peak=563 ppm1=3.793 ppm2=1.144

assign ( resid 85 and name HD2
	 )
       ( resid 84 and name HG2#
	 ) 3.6 0.7 0.7 volume=97420142.500 peak=564 ppm1=3.794 ppm2=1.002

assign ( resid 85 and name HD2
	 )
       ( resid 52 and name HD2#
	 ) 3.8 0.8 0.8 volume=89178445.250 peak=565 ppm1=3.794 ppm2=0.771

assign ( resid 81 and name HA
	 )
       ( resid 81 and name H
	 ) 3.1 0.6 0.6 volume=297416839.500 peak=567 ppm1=4.094 ppm2=8.029

assign ( resid 81 and name HA
	 )
       ( resid 82 and name HD2
	 ) 4.4 0.9 0.9 volume=37108722.188 peak=568 ppm1=4.093 ppm2=6.703

assign ( resid 60 and name HA
	 )
       ( resid 60 and name H
	 ) 3.0 0.6 0.6 volume=345352636.000 peak=571 ppm1=4.158 ppm2=7.201

assign ( resid 60 and name HA
	 )
       ( resid 61 and name H
	 or resid 63 and name H
	 ) 3.1 0.6 0.6 volume=308251285.500 peak=572 ppm1=4.154 ppm2=7.655

assign ( resid 30 and name HA
	 )
       ( resid 30 and name H
	 ) 3.0 0.6 0.6 volume=363455153.000 peak=573 ppm1=4.133 ppm2=8.299

assign ( resid 30 and name HA
	 )
       ( resid 31 and name H
	 ) 3.3 0.7 0.7 volume=191037107.500 peak=574 ppm1=4.131 ppm2=8.901

assign ( resid 66 and name HA
	 )
       ( resid 66 and name H
	 ) 3.1 0.6 0.6 volume=288190659.500 peak=575 ppm1=4.131 ppm2=8.775

assign ( resid 30 and name HA
	 )
       ( resid 29 and name H
	 ) 4.6 0.9 0.9 volume=29800146.656 peak=576 ppm1=4.134 ppm2=9.311

assign ( resid 93 and name HD2#
	 )
       ( resid 92 and name H
	 ) 3.1 0.6 0.6 volume=306234847.500 peak=577 ppm1=0.771 ppm2=8.429

assign ( resid 28 and name HD2#
	 )
       ( resid 49 and name HZ
	 ) 4.1 0.8 0.8 volume=52898251.625 peak=578 ppm1=0.770 ppm2=6.616

assign ( resid 97 and name HB2
	 )
       ( resid 97 and name HA
	 ) 2.6 0.5 0.5 volume=472417657.500 peak=579 ppm1=2.303 ppm2=4.474

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HB2
	 ) 3.3 0.7 0.7 volume=190439294.750 peak=580 ppm1=3.915 ppm2=2.305

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HD3
	 ) 4.0 0.8 0.8 volume=62415594.375 peak=582 ppm1=4.472 ppm2=3.678

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HA
	 ) 3.4 0.7 0.7 volume=164229032.750 peak=583 ppm1=3.918 ppm2=4.470

assign ( resid 97 and name HA
	 )
       ( resid 98 and name H
	 ) 3.0 0.6 0.6 volume=371659336.000 peak=584 ppm1=4.471 ppm2=8.522

assign ( resid 97 and name HA
	 )
       ( resid 99 and name H
	 ) 4.0 0.8 0.8 volume=64649582.938 peak=585 ppm1=4.470 ppm2=7.811

assign ( resid 48 and name HB2
	 )
       ( resid 49 and name H
	 ) 3.4 0.7 0.7 volume=187721836.250 peak=586 ppm1=4.399 ppm2=8.213

assign ( resid 48 and name HB2
	 )
       ( resid 51 and name H
	 ) 4.0 0.8 0.8 volume=60634838.312 peak=587 ppm1=4.399 ppm2=8.082

assign ( resid 48 and name HB2
	 )
       ( resid 48 and name HB3
	 ) 2.6 0.5 0.5 volume=890524931.000 peak=588 ppm1=4.400 ppm2=4.039

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HB2
	 ) 2.9 0.6 0.6 volume=215006909.750 peak=589 ppm1=4.625 ppm2=4.408

assign ( resid 48 and name HB2
	 )
       ( resid 50 and name HB3
	 ) 4.2 0.8 0.8 volume=51436724.344 peak=590 ppm1=4.400 ppm2=1.991

assign ( resid 48 and name HB2
	 )
       ( resid 50 and name HB2
	 ) 4.1 0.8 0.8 volume=58771719.250 peak=591 ppm1=4.405 ppm2=1.875

assign ( resid 48 and name HB2
	 )
       ( resid 52 and name HD1#
	 or resid 84 and name HG2#
	 ) 3.4 0.7 0.7 volume=161600819.500 peak=592 ppm1=4.401 ppm2=1.002

assign ( resid 48 and name HB3
	 )
       ( resid 48 and name HA
	 ) 3.2 0.6 0.6 volume=187468207.500 peak=594 ppm1=4.036 ppm2=4.632

assign ( resid 48 and name HB3
	 )
       ( resid 51 and name H
	 ) 4.1 0.8 0.8 volume=59553216.094 peak=595 ppm1=4.040 ppm2=8.080

assign ( resid 22 and name HA
	 )
       ( resid 22 and name H
	 ) 3.0 0.6 0.6 volume=402043194.500 peak=596 ppm1=3.710 ppm2=8.516

assign ( resid 34 and name HA
	 )
       ( resid 34 and name H
	 ) 2.8 0.6 0.6 volume=542652942.000 peak=597 ppm1=3.711 ppm2=8.028

assign ( resid 34 and name HA
	 )
       ( resid 36 and name H
	 ) 3.7 0.7 0.7 volume=106777665.875 peak=599 ppm1=3.711 ppm2=7.783

assign ( resid 34 and name HA
	 )
       ( resid 35 and name H
	 ) 3.1 0.6 0.6 volume=313527317.500 peak=600 ppm1=3.710 ppm2=7.664

assign ( resid 34 and name HA
	 )
       ( resid 54 and name HE#
	 ) 4.4 0.9 0.9 volume=35326984.812 peak=601 ppm1=3.711 ppm2=7.203

assign ( resid 8 and name HA
	 )
       ( resid 9 and name H
	 ) 4.3 0.9 0.9 volume=42266974.219 peak=602 ppm1=3.712 ppm2=7.895

assign ( resid 8 and name HA
	 )
       ( resid 12 and name H
	 ) 4.4 0.9 0.9 volume=38303182.188 peak=603 ppm1=3.714 ppm2=7.331

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HD1#
	 ) 3.0 0.6 0.6 volume=391398119.500 peak=605 ppm1=3.713 ppm2=0.750

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG2#
	 ) 2.7 0.5 0.5 volume=626458594.000 peak=606 ppm1=3.714 ppm2=1.300

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HB2
	 ) 3.3 0.7 0.7 volume=191518817.500 peak=607 ppm1=3.713 ppm2=1.795

assign ( resid 8 and name HA
	 )
       ( resid 7 and name HB3
	 ) 3.4 0.7 0.7 volume=187508270.500 peak=608 ppm1=3.713 ppm2=1.532

assign ( resid 85 and name HA
	 )
       ( resid 89 and name H
	 ) 3.3 0.7 0.7 volume=209566840.500 peak=611 ppm1=4.092 ppm2=8.558

assign ( resid 85 and name HA
	 )
       ( resid 27 and name HG1#
	 ) 2.8 0.6 0.6 volume=540984981.000 peak=612 ppm1=4.090 ppm2=1.154

assign ( resid 88 and name HG2#
	 )
       ( resid 85 and name HA
	 ) 3.1 0.6 0.6 volume=307246811.000 peak=613 ppm1=1.320 ppm2=4.083

assign ( resid 85 and name HB2
	 )
       ( resid 85 and name HA
	 ) 2.9 0.6 0.6 volume=422345189.000 peak=614 ppm1=2.037 ppm2=4.094

assign ( resid 85 and name HA
	 )
       ( resid 88 and name HB
	 ) 3.1 0.6 0.6 volume=277021004.500 peak=615 ppm1=4.090 ppm2=2.325

assign ( resid 85 and name HA
	 )
       ( resid 88 and name HG1#
	 ) 3.6 0.7 0.7 volume=125720525.000 peak=617 ppm1=4.091 ppm2=0.908

assign ( resid 85 and name HA
	 )
       ( resid 28 and name HD2#
	 ) 3.8 0.8 0.8 volume=90895707.125 peak=618 ppm1=4.090 ppm2=0.775

assign ( resid 68 and name HA
	 )
       ( resid 68 and name H
	 ) 3.0 0.6 0.6 volume=370290314.500 peak=619 ppm1=3.945 ppm2=8.285

assign ( resid 68 and name HA
	 )
       ( resid 71 and name H
	 ) 4.2 0.8 0.8 volume=46977188.000 peak=620 ppm1=3.945 ppm2=8.649

assign ( resid 68 and name HA
	 )
       ( resid 67 and name H
	 ) 4.6 0.9 0.9 volume=28491777.688 peak=621 ppm1=3.941 ppm2=8.893

assign ( resid 68 and name HB
	 )
       ( resid 68 and name HA
	 ) 2.9 0.6 0.6 volume=427883737.000 peak=622 ppm1=4.266 ppm2=3.948

assign ( resid 68 and name HA
	 )
       ( resid 68 and name HG2#
	 ) 2.5 0.5 0.5 volume=1102295938.000 peak=623 ppm1=3.947 ppm2=1.270

assign ( resid 17 and name HA
	 )
       ( resid 20 and name HD3
	 ) 3.7 0.7 0.7 volume=95661020.000 peak=624 ppm1=3.972 ppm2=3.186

assign ( resid 17 and name HA
	 )
       ( resid 18 and name H
	 ) 3.7 0.7 0.7 volume=108893484.250 peak=626 ppm1=3.969 ppm2=7.613

assign ( resid 17 and name HA
	 )
       ( resid 20 and name H
	 ) 3.3 0.7 0.7 volume=203410264.500 peak=627 ppm1=3.966 ppm2=8.000

assign ( resid 17 and name HA
	 )
       ( resid 17 and name H
	 ) 3.2 0.6 0.6 volume=252895655.500 peak=628 ppm1=3.970 ppm2=8.252

assign ( resid 17 and name HA
	 )
       ( resid 21 and name H
	 ) 4.0 0.8 0.8 volume=63490176.875 peak=629 ppm1=3.973 ppm2=7.698

assign ( resid 17 and name HA
	 )
       ( resid 19 and name H
	 ) 4.3 0.9 0.9 volume=39364756.875 peak=630 ppm1=3.972 ppm2=9.163

assign ( resid 17 and name HA
	 )
       ( resid 16 and name HB#
	 or resid 20 and name HG3
	 ) 3.4 0.7 0.7 volume=162728626.000 peak=631 ppm1=3.970 ppm2=1.535

assign ( resid 68 and name HA
	 )
       ( resid 69 and name H
	 ) 3.3 0.7 0.7 volume=203410264.500 peak=633 ppm1=3.950 ppm2=8.004

assign ( resid 23 and name HA
	 )
       ( resid 24 and name H
	 ) 3.5 0.7 0.7 volume=149684103.500 peak=634 ppm1=4.091 ppm2=8.570

assign ( resid 23 and name HA
	 )
       ( resid 23 and name H
	 ) 3.1 0.6 0.6 volume=274214413.500 peak=635 ppm1=4.090 ppm2=8.050

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HA
	 ) 2.6 0.5 0.5 volume=921551617.000 peak=636 ppm1=3.803 ppm2=4.111

assign ( resid 23 and name HA
	 )
       ( resid 22 and name HB
	 ) 3.7 0.7 0.7 volume=96900642.875 peak=637 ppm1=4.094 ppm2=2.077

assign ( resid 23 and name HA
	 )
       ( resid 25 and name HB2
	 ) 4.2 0.8 0.8 volume=48923829.438 peak=638 ppm1=4.097 ppm2=1.947

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 2.8 0.6 0.6 volume=519352521.500 peak=639 ppm1=4.089 ppm2=1.235

assign ( resid 23 and name HA
	 )
       ( resid 89 and name HB#
	 ) 3.6 0.7 0.7 volume=123518646.500 peak=640 ppm1=4.090 ppm2=1.399

assign ( resid 23 and name HA
	 )
       ( resid 26 and name HD2#
	 ) 3.1 0.6 0.6 volume=282594880.500 peak=641 ppm1=4.091 ppm2=0.795

assign ( resid 23 and name HB
	 )
       ( resid 26 and name H
	 ) 3.6 0.7 0.7 volume=125139342.500 peak=643 ppm1=3.802 ppm2=7.796

assign ( resid 23 and name HB
	 )
       ( resid 25 and name H
	 ) 4.3 0.9 0.9 volume=42844843.188 peak=644 ppm1=3.804 ppm2=7.670

assign ( resid 23 and name HB
	 )
       ( resid 23 and name H
	 ) 3.2 0.6 0.6 volume=267254205.000 peak=645 ppm1=3.803 ppm2=8.050

assign ( resid 23 and name HB
	 )
       ( resid 92 and name HB3
	 ) 4.2 0.8 0.8 volume=50747477.812 peak=647 ppm1=3.802 ppm2=1.946

assign ( resid 23 and name HB
	 )
       ( resid 89 and name HB#
	 ) 3.8 0.8 0.8 volume=92832116.625 peak=649 ppm1=3.801 ppm2=1.400

assign ( resid 23 and name HB
	 )
       ( resid 23 and name HG2#
	 ) 2.4 0.5 0.5 volume=591059108.000 peak=650 ppm1=3.803 ppm2=1.237

assign ( resid 23 and name HB
	 )
       ( resid 22 and name HG2#
	 ) 2.9 0.6 0.6 volume=83581223.625 peak=651 ppm1=3.804 ppm2=1.091

assign ( resid 7 and name HD1#
	 )
       ( resid 23 and name HB
	 ) 3.1 0.6 0.6 volume=199651155.250 peak=652 ppm1=0.909 ppm2=3.812

assign ( resid 23 and name HB
	 )
       ( resid 26 and name HD2#
	 ) 3.1 0.6 0.6 volume=285381080.500 peak=653 ppm1=3.803 ppm2=0.785

assign ( resid 45 and name HB
	 )
       ( resid 86 and name H
	 ) 3.7 0.7 0.7 volume=109739014.625 peak=654 ppm1=4.062 ppm2=8.561

assign ( resid 45 and name HB
	 )
       ( resid 45 and name H
	 ) 3.8 0.8 0.8 volume=88690645.750 peak=655 ppm1=4.065 ppm2=8.129

assign ( resid 45 and name HB
	 )
       ( resid 86 and name HB3
	 ) 4.0 0.8 0.8 volume=64090176.625 peak=656 ppm1=4.063 ppm2=2.886

assign ( resid 45 and name HB
	 )
       ( resid 86 and name HB2
	 ) 3.7 0.7 0.7 volume=110522496.500 peak=657 ppm1=4.062 ppm2=2.707

assign ( resid 45 and name HB
	 )
       ( resid 85 and name HB2
	 ) 3.5 0.7 0.7 volume=134038053.750 peak=658 ppm1=4.062 ppm2=2.040

assign ( resid 45 and name HB
	 )
       ( resid 45 and name HG2#
	 ) 2.6 0.5 0.5 volume=809178184.000 peak=659 ppm1=4.063 ppm2=1.103

assign ( resid 45 and name HB
	 )
       ( resid 28 and name HD2#
	 ) 3.9 0.8 0.8 volume=70456712.562 peak=660 ppm1=4.060 ppm2=0.781

assign ( resid 17 and name HB
	 )
       ( resid 18 and name H
	 ) 3.1 0.6 0.6 volume=272701452.000 peak=661 ppm1=4.101 ppm2=7.607

assign ( resid 17 and name HB
	 )
       ( resid 17 and name H
	 ) 3.3 0.7 0.7 volume=224107484.500 peak=662 ppm1=4.100 ppm2=8.240

assign ( resid 58 and name HB
	 )
       ( resid 54 and name HD#
	 ) 3.3 0.7 0.7 volume=214795255.500 peak=663 ppm1=4.139 ppm2=7.397

assign ( resid 58 and name HB
	 )
       ( resid 54 and name HE#
	 ) 3.4 0.7 0.7 volume=168637870.500 peak=664 ppm1=4.138 ppm2=7.223

assign ( resid 58 and name HB
	 )
       ( resid 58 and name H
	 ) 3.8 0.8 0.8 volume=88933569.375 peak=665 ppm1=4.138 ppm2=8.996

assign ( resid 40 and name HB
	 )
       ( resid 40 and name H
	 ) 3.9 0.8 0.8 volume=71300215.125 peak=666 ppm1=4.504 ppm2=8.373

assign ( resid 40 and name HA
	 )
       ( resid 40 and name HB
	 ) 2.8 0.6 0.6 volume=581112556.500 peak=667 ppm1=4.237 ppm2=4.502

assign ( resid 40 and name HB
	 )
       ( resid 28 and name HD2#
	 ) 3.5 0.7 0.7 volume=138428892.000 peak=668 ppm1=4.503 ppm2=0.787

assign ( resid 40 and name HB
	 )
       ( resid 40 and name HG2#
	 ) 2.5 0.5 0.5 volume=1023521604.000 peak=669 ppm1=4.503 ppm2=1.292

assign ( resid 40 and name HB
	 )
       ( resid 28 and name HB2
	 ) 3.9 0.8 0.8 volume=76768691.625 peak=670 ppm1=4.503 ppm2=1.982

assign ( resid 5 and name HB
	 )
       ( resid 5 and name HG2#
	 ) 2.3 0.5 0.5 volume=1242938884.000 peak=671 ppm1=4.409 ppm2=1.248

assign ( resid 5 and name HB
	 )
       ( resid 6 and name H
	 ) 3.2 0.6 0.6 volume=269777889.000 peak=672 ppm1=4.408 ppm2=8.244

assign ( resid 3 and name HB
	 )
       ( resid 3 and name HG2#
	 ) 2.5 0.5 0.5 volume=1133310026.000 peak=673 ppm1=4.278 ppm2=1.254

assign ( resid 3 and name HB
	 )
       ( resid 6 and name HD2#
	 ) 4.1 0.8 0.8 volume=54604922.562 peak=674 ppm1=4.278 ppm2=0.927

assign ( resid 68 and name HB
	 )
       ( resid 68 and name HG2#
	 ) 2.3 0.5 0.5 volume=1694176200.000 peak=675 ppm1=4.266 ppm2=1.279

assign ( resid 8 and name HB
	 )
       ( resid 11 and name HD1#
	 ) 3.9 0.8 0.8 volume=70001267.000 peak=676 ppm1=4.268 ppm2=0.753

assign ( resid 68 and name HB
	 )
       ( resid 69 and name HB#
	 ) 3.6 0.7 0.7 volume=117333509.500 peak=677 ppm1=4.267 ppm2=1.541

assign ( resid 8 and name HB
	 )
       ( resid 4 and name HB#
	 ) 2.9 0.6 0.6 volume=88342420.375 peak=678 ppm1=4.266 ppm2=1.426

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HB
	 ) 3.2 0.6 0.6 volume=254807775.500 peak=679 ppm1=3.714 ppm2=4.276

assign ( resid 68 and name HB
	 )
       ( resid 69 and name H
	 ) 2.7 0.5 0.5 volume=642719929.000 peak=680 ppm1=4.266 ppm2=8.016

assign ( resid 8 and name HB
	 )
       ( resid 9 and name H
	 ) 3.5 0.7 0.7 volume=136122941.500 peak=681 ppm1=4.264 ppm2=7.892

assign ( resid 40 and name HA
	 )
       ( resid 40 and name H
	 ) 3.3 0.7 0.7 volume=191736880.750 peak=682 ppm1=4.243 ppm2=8.367

assign ( resid 40 and name HA
	 )
       ( resid 43 and name H
	 ) 4.1 0.8 0.8 volume=52343249.938 peak=683 ppm1=4.236 ppm2=7.929

assign ( resid 40 and name HA
	 )
       ( resid 32 and name HB#
	 ) 3.1 0.6 0.6 volume=272417702.000 peak=685 ppm1=4.236 ppm2=1.527

assign ( resid 49 and name HA
	 )
       ( resid 47 and name HG2
	 or resid 52 and name HB2
	 ) 3.2 0.6 0.6 volume=246323476.500 peak=689 ppm1=4.291 ppm2=2.334

assign ( resid 54 and name HD#
	 )
       ( resid 49 and name HA
	 ) 3.5 0.7 0.7 volume=154844965.750 peak=691 ppm1=7.401 ppm2=4.300

assign ( resid 49 and name HA
	 )
       ( resid 49 and name H
	 ) 3.2 0.6 0.6 volume=229391920.250 peak=692 ppm1=4.292 ppm2=8.216

assign ( resid 49 and name HA
	 )
       ( resid 50 and name H
	 ) 4.4 0.9 0.9 volume=36446277.453 peak=693 ppm1=4.290 ppm2=8.822

assign ( resid 49 and name HB3
	 )
       ( resid 49 and name HA
	 ) 3.1 0.6 0.6 volume=295528673.000 peak=694 ppm1=2.715 ppm2=4.296

assign ( resid 49 and name HA
	 )
       ( resid 52 and name HB3
	 ) 3.3 0.7 0.7 volume=224232055.000 peak=695 ppm1=4.290 ppm2=1.835

assign ( resid 49 and name HA
	 )
       ( resid 52 and name HD2#
	 ) 3.0 0.6 0.6 volume=362543442.000 peak=696 ppm1=4.291 ppm2=0.762

assign ( resid 49 and name HA
	 )
       ( resid 52 and name HD1#
	 ) 3.9 0.8 0.8 volume=78108070.000 peak=697 ppm1=4.288 ppm2=1.006

assign ( resid 79 and name HG2#
	 )
       ( resid 49 and name HA
	 ) 4.4 0.9 0.9 volume=35745770.406 peak=699 ppm1=-0.149 ppm2=4.287

assign ( resid 52 and name HB2
	 )
       ( resid 52 and name HA
	 ) 3.0 0.6 0.6 volume=274286299.500 peak=700 ppm1=2.331 ppm2=4.323

assign ( resid 49 and name HB2
	 )
       ( resid 49 and name HA
	 ) 3.4 0.7 0.7 volume=171319626.750 peak=702 ppm1=2.672 ppm2=4.298

assign ( resid 49 and name HD#
	 )
       ( resid 49 and name HB3
	 ) 3.1 0.6 0.6 volume=268794398.500 peak=703 ppm1=6.914 ppm2=2.693

assign ( resid 49 and name HB3
	 )
       ( resid 49 and name H
	 ) 3.6 0.7 0.7 volume=126135928.000 peak=704 ppm1=2.715 ppm2=8.205

assign ( resid 49 and name HB3
	 )
       ( resid 50 and name H
	 ) 4.0 0.8 0.8 volume=62260178.500 peak=705 ppm1=2.717 ppm2=8.821

assign ( resid 49 and name HB3
	 )
       ( resid 79 and name HD1#
	 ) 3.6 0.7 0.7 volume=132649248.500 peak=706 ppm1=2.716 ppm2=0.010

assign ( resid 49 and name HB3
	 )
       ( resid 79 and name HG2#
	 ) 3.8 0.8 0.8 volume=88616690.750 peak=707 ppm1=2.716 ppm2=-0.142

assign ( resid 49 and name HB2
	 )
       ( resid 79 and name HD1#
	 ) 3.6 0.7 0.7 volume=131919262.250 peak=708 ppm1=2.674 ppm2=0.009

assign ( resid 49 and name HB2
	 )
       ( resid 79 and name HG2#
	 ) 3.8 0.8 0.8 volume=88996749.750 peak=709 ppm1=2.670 ppm2=-0.143

assign ( resid 49 and name HB2
	 )
       ( resid 49 and name HD#
	 ) 3.2 0.6 0.6 volume=255550200.500 peak=710 ppm1=2.676 ppm2=6.915

assign ( resid 49 and name HB2
	 )
       ( resid 49 and name H
	 ) 3.6 0.7 0.7 volume=121720518.500 peak=711 ppm1=2.677 ppm2=8.209

assign ( resid 49 and name HB2
	 )
       ( resid 50 and name H
	 ) 4.1 0.8 0.8 volume=59945404.125 peak=712 ppm1=2.671 ppm2=8.821

assign ( resid 30 and name HG2
	 )
       ( resid 31 and name H
	 ) 4.2 0.8 0.8 volume=51615231.562 peak=713 ppm1=1.993 ppm2=8.904

assign ( resid 30 and name HG2
	 )
       ( resid 30 and name H
	 ) 3.3 0.7 0.7 volume=202434519.250 peak=714 ppm1=1.990 ppm2=8.297

assign ( resid 30 and name HG3
	 )
       ( resid 31 and name H
	 ) 4.1 0.8 0.8 volume=54969520.875 peak=715 ppm1=2.819 ppm2=8.904

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name H
	 ) 3.1 0.6 0.6 volume=305690621.500 peak=716 ppm1=2.822 ppm2=8.298

assign ( resid 69 and name HB#
	 )
       ( resid 30 and name HG2
	 ) 3.5 0.7 0.7 volume=89282416.020 peak=718 ppm1=1.537 ppm2=1.974

assign ( resid 30 and name HG3
	 )
       ( resid 26 and name HG
	 ) 3.9 0.8 0.8 volume=71786281.375 peak=719 ppm1=2.822 ppm2=1.631

assign ( resid 69 and name HB#
	 )
       ( resid 30 and name HG3
	 ) 3.8 0.8 0.8 volume=78654220.750 peak=720 ppm1=1.534 ppm2=2.819

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HG2
	 ) 2.4 0.5 0.5 volume=1232437012.000 peak=721 ppm1=2.822 ppm2=1.999

assign ( resid 30 and name HG2
	 )
       ( resid 27 and name HA
	 ) 4.1 0.8 0.8 volume=55375967.500 peak=722 ppm1=1.989 ppm2=3.440

assign ( resid 27 and name HA
	 )
       ( resid 30 and name HG3
	 ) 4.2 0.8 0.8 volume=50151846.625 peak=723 ppm1=3.437 ppm2=2.831

assign ( resid 30 and name HG3
	 )
       ( resid 26 and name HA
	 or resid 29 and name HA
	 or resid 69 and name HA
	 ) 4.4 0.9 0.9 volume=36488109.812 peak=724 ppm1=2.825 ppm2=4.339

assign ( resid 30 and name HA
	 )
       ( resid 30 and name HG3
	 ) 3.2 0.6 0.6 volume=182560153.250 peak=725 ppm1=4.131 ppm2=2.827

assign ( resid 30 and name HG2
	 )
       ( resid 30 and name HA
	 ) 3.3 0.7 0.7 volume=205138125.750 peak=726 ppm1=1.990 ppm2=4.135

assign ( resid 30 and name HG2
	 )
       ( resid 26 and name HA
	 or resid 29 and name HA
	 ) 4.6 0.9 0.9 volume=27930078.172 peak=727 ppm1=1.990 ppm2=4.354

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HE22
	 ) 3.2 0.6 0.6 volume=252628017.500 peak=728 ppm1=2.822 ppm2=7.187

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HE21
	 ) 3.7 0.7 0.7 volume=108671796.625 peak=729 ppm1=2.823 ppm2=6.902

assign ( resid 30 and name HG2
	 )
       ( resid 30 and name HE22
	 ) 3.4 0.7 0.7 volume=168120234.000 peak=730 ppm1=1.991 ppm2=7.187

assign ( resid 30 and name HG2
	 )
       ( resid 30 and name HE21
	 ) 4.0 0.8 0.8 volume=67130858.250 peak=731 ppm1=1.991 ppm2=6.903

assign ( resid 30 and name HG2
	 )
       ( resid 26 and name HD1#
	 ) 3.2 0.6 0.6 volume=255328593.000 peak=732 ppm1=1.990 ppm2=0.921

assign ( resid 30 and name HG2
	 )
       ( resid 26 and name HD2#
	 ) 2.9 0.6 0.6 volume=420773118.000 peak=733 ppm1=1.989 ppm2=0.779

assign ( resid 30 and name HG3
	 )
       ( resid 26 and name HD1#
	 ) 3.2 0.6 0.6 volume=225920468.000 peak=734 ppm1=2.822 ppm2=0.924

assign ( resid 30 and name HG3
	 )
       ( resid 26 and name HD2#
	 ) 3.1 0.6 0.6 volume=274666985.500 peak=735 ppm1=2.823 ppm2=0.778

assign ( resid 30 and name HG2
	 )
       ( resid 30 and name HB3
	 ) 2.9 0.6 0.6 volume=405170748.000 peak=736 ppm1=1.992 ppm2=2.106

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HB3
	 ) 3.1 0.6 0.6 volume=323632174.500 peak=737 ppm1=2.822 ppm2=2.103

assign ( resid 92 and name HG
	 )
       ( resid 92 and name HD2#
	 ) 2.3 0.5 0.5 volume=1634847688.000 peak=738 ppm1=2.144 ppm2=0.743

assign ( resid 92 and name HG
	 )
       ( resid 92 and name HD1#
	 ) 3.2 0.6 0.6 volume=244425428.500 peak=739 ppm1=2.142 ppm2=1.075

assign ( resid 92 and name HG
	 )
       ( resid 92 and name HB2
	 ) 3.3 0.7 0.7 volume=219272092.500 peak=740 ppm1=2.143 ppm2=0.904

assign ( resid 92 and name HG
	 )
       ( resid 23 and name HG2#
	 ) 3.7 0.7 0.7 volume=104697310.750 peak=741 ppm1=2.142 ppm2=1.253

assign ( resid 92 and name HG
	 )
       ( resid 92 and name HB3
	 ) 3.3 0.7 0.7 volume=189226903.500 peak=742 ppm1=2.144 ppm2=1.979

assign ( resid 92 and name HG
	 )
       ( resid 89 and name HA
	 ) 3.7 0.7 0.7 volume=98068878.250 peak=743 ppm1=2.145 ppm2=3.802

assign ( resid 92 and name HA
	 )
       ( resid 92 and name HG
	 ) 3.4 0.7 0.7 volume=96170055.250 peak=744 ppm1=3.595 ppm2=2.143

assign ( resid 14 and name HG
	 )
       ( resid 18 and name H
	 ) 3.2 0.6 0.6 volume=242085311.500 peak=745 ppm1=1.934 ppm2=7.609

assign ( resid 88 and name HG2#
	 )
       ( resid 88 and name H
	 ) 2.7 0.5 0.5 volume=624179061.000 peak=746 ppm1=1.324 ppm2=8.553

assign ( resid 88 and name HG2#
	 )
       ( resid 84 and name H
	 ) 3.8 0.8 0.8 volume=83970243.250 peak=748 ppm1=1.325 ppm2=7.335

assign ( resid 88 and name HG2#
	 )
       ( resid 82 and name H
	 ) 3.8 0.8 0.8 volume=89134605.875 peak=749 ppm1=1.332 ppm2=7.678

assign ( resid 88 and name HG2#
	 )
       ( resid 87 and name H
	 ) 4.4 0.9 0.9 volume=35767453.875 peak=750 ppm1=1.322 ppm2=8.262

assign ( resid 88 and name HG2#
	 )
       ( resid 79 and name HA
	 ) 3.3 0.7 0.7 volume=192967019.500 peak=752 ppm1=1.324 ppm2=3.842

assign ( resid 88 and name HG2#
	 )
       ( resid 66 and name HD1#
	 or resid 78 and name HD2#
	 ) 3.0 0.6 0.6 volume=372666127.500 peak=757 ppm1=1.326 ppm2=1.053

assign ( resid 88 and name HG2#
	 )
       ( resid 79 and name HG2#
	 ) 3.2 0.6 0.6 volume=249893692.500 peak=759 ppm1=1.324 ppm2=-0.144

assign ( resid 50 and name HG3
	 )
       ( resid 50 and name H
	 ) 4.1 0.8 0.8 volume=55783889.281 peak=760 ppm1=1.510 ppm2=8.828

assign ( resid 50 and name HG2
	 )
       ( resid 50 and name H
	 ) 4.0 0.8 0.8 volume=60537456.500 peak=761 ppm1=1.615 ppm2=8.820

assign ( resid 50 and name HG2
	 )
       ( resid 51 and name H
	 ) 4.3 0.9 0.9 volume=44518367.188 peak=762 ppm1=1.614 ppm2=8.089

assign ( resid 50 and name HG2
	 )
       ( resid 50 and name HA
	 ) 3.4 0.7 0.7 volume=184049903.000 peak=763 ppm1=1.613 ppm2=4.311

assign ( resid 50 and name HG3
	 )
       ( resid 50 and name HA
	 ) 3.3 0.7 0.7 volume=199555659.250 peak=764 ppm1=1.510 ppm2=4.317

assign ( resid 50 and name HG2
	 )
       ( resid 50 and name HE2
	 ) 3.4 0.7 0.7 volume=175945547.250 peak=765 ppm1=1.615 ppm2=3.070

assign ( resid 50 and name HB3
	 )
       ( resid 50 and name HG2
	 ) 2.6 0.5 0.5 volume=464918091.000 peak=766 ppm1=1.982 ppm2=1.623

assign ( resid 50 and name HG2
	 )
       ( resid 50 and name HD2
	 ) 2.5 0.5 0.5 volume=1174201216.000 peak=767 ppm1=1.615 ppm2=1.795

assign ( resid 50 and name HG3
	 )
       ( resid 50 and name HG2
	 ) 2.0 0.3 0.4 volume=4441253728.000 peak=768 ppm1=1.500 ppm2=1.625

assign ( resid 10 and name HG3
	 )
       ( resid 7 and name HA
	 or resid 10 and name HA
	 ) 3.2 0.6 0.6 volume=267083884.000 peak=770 ppm1=1.596 ppm2=4.213

assign ( resid 10 and name HG2
	 )
       ( resid 10 and name HA
	 ) 3.1 0.6 0.6 volume=295750298.500 peak=771 ppm1=1.466 ppm2=4.214

assign ( resid 10 and name HG3
	 )
       ( resid 11 and name H
	 ) 4.4 0.9 0.9 volume=37838448.125 peak=772 ppm1=1.598 ppm2=7.605

assign ( resid 10 and name HG2
	 )
       ( resid 11 and name HD2#
	 ) 4.1 0.8 0.8 volume=54095777.094 peak=773 ppm1=1.475 ppm2=0.780

assign ( resid 57 and name HG
	 )
       ( resid 57 and name H
	 ) 3.1 0.6 0.6 volume=306131938.500 peak=774 ppm1=1.732 ppm2=8.363

assign ( resid 57 and name HG
	 )
       ( resid 58 and name H
	 ) 3.8 0.8 0.8 volume=91474496.250 peak=775 ppm1=1.731 ppm2=8.989

assign ( resid 57 and name HG
	 )
       ( resid 57 and name HA
	 ) 3.3 0.7 0.7 volume=219683023.500 peak=776 ppm1=1.732 ppm2=4.478

assign ( resid 57 and name HG
	 )
       ( resid 57 and name HB2
	 ) 2.6 0.5 0.5 volume=920407007.000 peak=778 ppm1=1.731 ppm2=2.068

assign ( resid 57 and name HG
	 )
       ( resid 57 and name HD2#
	 ) 2.7 0.5 0.5 volume=690605369.000 peak=779 ppm1=1.721 ppm2=0.923

assign ( resid 28 and name HG
	 )
       ( resid 29 and name H
	 ) 4.1 0.8 0.8 volume=58303725.750 peak=780 ppm1=1.801 ppm2=9.300

assign ( resid 93 and name HG
	 )
       ( resid 20 and name H
	 ) 4.3 0.9 0.9 volume=44214374.125 peak=781 ppm1=1.808 ppm2=7.963

assign ( resid 93 and name HG
	 )
       ( resid 93 and name HA
	 ) 3.1 0.6 0.6 volume=272410558.500 peak=782 ppm1=1.812 ppm2=3.890

assign ( resid 93 and name HG
	 )
       ( resid 100 and name HA2
	 ) 4.2 0.8 0.8 volume=50808094.375 peak=783 ppm1=1.808 ppm2=3.769

assign ( resid 28 and name HG
	 )
       ( resid 28 and name HA
	 ) 3.2 0.6 0.6 volume=254873090.500 peak=784 ppm1=1.802 ppm2=3.993

assign ( resid 43 and name HG
	 )
       ( resid 43 and name HA
	 ) 3.4 0.7 0.7 volume=174869022.500 peak=786 ppm1=1.651 ppm2=4.500

assign ( resid 43 and name HG
	 )
       ( resid 40 and name HA
	 ) 3.1 0.6 0.6 volume=304056601.500 peak=787 ppm1=1.647 ppm2=4.237

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name HG
	 ) 2.8 0.6 0.6 volume=509369650.500 peak=790 ppm1=1.432 ppm2=1.655

assign ( resid 99 and name HG13
	 )
       ( resid 99 and name H
	 ) 3.2 0.6 0.6 volume=247728107.000 peak=791 ppm1=1.429 ppm2=7.803

assign ( resid 99 and name HG13
	 )
       ( resid 100 and name H
	 ) 4.2 0.8 0.8 volume=49069798.656 peak=792 ppm1=1.421 ppm2=8.204

assign ( resid 99 and name HG13
	 )
       ( resid 99 and name HA
	 ) 3.6 0.7 0.7 volume=130293665.000 peak=793 ppm1=1.428 ppm2=4.346

assign ( resid 99 and name HG12
	 )
       ( resid 99 and name HG13
	 ) 2.1 0.4 0.4 volume=3182293176.000 peak=796 ppm1=1.208 ppm2=1.432

assign ( resid 99 and name HG12
	 )
       ( resid 99 and name H
	 ) 3.1 0.6 0.6 volume=274159795.000 peak=799 ppm1=1.206 ppm2=7.810

assign ( resid 99 and name HG12
	 )
       ( resid 100 and name H
	 ) 4.2 0.8 0.8 volume=45587237.938 peak=800 ppm1=1.215 ppm2=8.208

assign ( resid 72 and name HG
	 )
       ( resid 72 and name HA
	 ) 3.7 0.7 0.7 volume=109810140.500 peak=801 ppm1=1.465 ppm2=4.453

assign ( resid 72 and name HG
	 )
       ( resid 70 and name HB
	 ) 3.0 0.6 0.6 volume=185594747.500 peak=802 ppm1=1.465 ppm2=4.138

assign ( resid 96 and name HG12
	 )
       ( resid 96 and name H
	 ) 3.1 0.6 0.6 volume=279446402.000 peak=803 ppm1=1.228 ppm2=7.310

assign ( resid 93 and name HA
	 )
       ( resid 96 and name HG12
	 ) 3.3 0.7 0.7 volume=196473082.000 peak=804 ppm1=3.891 ppm2=1.233

assign ( resid 96 and name HG12
	 )
       ( resid 96 and name HG13
	 ) 2.3 0.5 0.5 volume=1448619818.000 peak=805 ppm1=1.228 ppm2=1.650

assign ( resid 63 and name HB3
	 )
       ( resid 63 and name H
	 ) 3.4 0.7 0.7 volume=173547055.750 peak=806 ppm1=2.048 ppm2=7.636

assign ( resid 63 and name HB3
	 )
       ( resid 64 and name H
	 ) 3.9 0.8 0.8 volume=75003289.625 peak=807 ppm1=2.047 ppm2=8.805

assign ( resid 63 and name HB2
	 )
       ( resid 64 and name H
	 ) 3.6 0.7 0.7 volume=132337192.500 peak=808 ppm1=2.294 ppm2=8.805

assign ( resid 63 and name HB2
	 )
       ( resid 63 and name HB3
	 ) 2.9 0.6 0.6 volume=404732033.000 peak=810 ppm1=2.287 ppm2=2.043

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name H
	 ) 3.6 0.7 0.7 volume=129221373.125 peak=811 ppm1=1.507 ppm2=7.996

assign ( resid 20 and name HG3
	 )
       ( resid 21 and name H
	 ) 4.1 0.8 0.8 volume=58483845.188 peak=812 ppm1=1.511 ppm2=7.700

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name HB2
	 ) 3.1 0.6 0.6 volume=302566038.500 peak=815 ppm1=1.509 ppm2=1.942

assign ( resid 20 and name HG2
	 )
       ( resid 20 and name HD3
	 ) 3.0 0.6 0.6 volume=224105614.000 peak=817 ppm1=1.748 ppm2=3.191

assign ( resid 20 and name HG2
	 )
       ( resid 20 and name HA
	 ) 3.3 0.7 0.7 volume=201202308.000 peak=818 ppm1=1.751 ppm2=3.903

assign ( resid 20 and name HG2
	 )
       ( resid 21 and name H
	 ) 3.9 0.8 0.8 volume=79411878.500 peak=819 ppm1=1.757 ppm2=7.706

assign ( resid 20 and name HG2
	 )
       ( resid 20 and name H
	 ) 3.4 0.7 0.7 volume=165562183.750 peak=820 ppm1=1.750 ppm2=7.995

assign ( resid 10 and name HD2
	 )
       ( resid 10 and name HA
	 ) 3.4 0.7 0.7 volume=173043899.000 peak=821 ppm1=1.654 ppm2=4.209

assign ( resid 10 and name HD3
	 )
       ( resid 10 and name HA
	 ) 3.4 0.7 0.7 volume=184016534.500 peak=822 ppm1=1.607 ppm2=4.208

assign ( resid 10 and name HD3
	 )
       ( resid 10 and name H
	 ) 4.0 0.8 0.8 volume=60961747.000 peak=823 ppm1=1.605 ppm2=7.747

assign ( resid 25 and name HD2
	 )
       ( resid 25 and name HA
	 ) 3.6 0.7 0.7 volume=118315712.000 peak=824 ppm1=1.651 ppm2=3.989

assign ( resid 25 and name HD3
	 )
       ( resid 25 and name HA
	 ) 3.5 0.7 0.7 volume=137163262.750 peak=825 ppm1=1.788 ppm2=3.982

assign ( resid 50 and name HD2
	 )
       ( resid 50 and name HA
	 ) 3.7 0.7 0.7 volume=95581647.250 peak=826 ppm1=1.790 ppm2=4.317

assign ( resid 93 and name HB3
	 )
       ( resid 93 and name H
	 ) 2.9 0.6 0.6 volume=455256721.000 peak=830 ppm1=1.833 ppm2=7.648

assign ( resid 62 and name HB3
	 )
       ( resid 54 and name HD#
	 ) 4.2 0.8 0.8 volume=47986671.250 peak=831 ppm1=1.474 ppm2=7.366

assign ( resid 62 and name HB3
	 )
       ( resid 62 and name H
	 ) 3.3 0.7 0.7 volume=223502148.500 peak=832 ppm1=1.490 ppm2=8.493

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name H
	 ) 3.1 0.6 0.6 volume=274852737.500 peak=833 ppm1=1.803 ppm2=8.493

assign ( resid 88 and name HA
	 )
       ( resid 88 and name HG1#
	 ) 2.8 0.6 0.6 volume=569859196.000 peak=839 ppm1=3.418 ppm2=0.907

assign ( resid 62 and name HD1#
	 )
       ( resid 49 and name HE#
	 ) 3.5 0.7 0.7 volume=132776461.000 peak=841 ppm1=0.900 ppm2=7.024

assign ( resid 62 and name HD1#
	 )
       ( resid 31 and name H
	 ) 3.2 0.6 0.6 volume=251959419.000 peak=842 ppm1=0.892 ppm2=8.906

assign ( resid 62 and name HD1#
	 )
       ( resid 32 and name H
	 or resid 64 and name H
	 or resid 66 and name H
	 ) 3.4 0.7 0.7 volume=185692105.250 peak=843 ppm1=0.893 ppm2=8.768

assign ( resid 11 and name HD2#
	 )
       ( resid 11 and name H
	 ) 3.3 0.7 0.7 volume=206673670.500 peak=844 ppm1=0.769 ppm2=7.607

assign ( resid 11 and name HD2#
	 )
       ( resid 12 and name H
	 ) 3.9 0.8 0.8 volume=75763654.375 peak=845 ppm1=0.776 ppm2=7.342

assign ( resid 34 and name HG1#
	 )
       ( resid 54 and name HZ
	 ) 3.4 0.7 0.7 volume=162995565.500 peak=846 ppm1=0.855 ppm2=7.335

assign ( resid 72 and name HD2#
	 )
       ( resid 73 and name H
	 ) 3.1 0.6 0.6 volume=304314279.000 peak=847 ppm1=0.851 ppm2=8.526

assign ( resid 34 and name HG2#
	 )
       ( resid 35 and name H
	 ) 3.3 0.7 0.7 volume=203559560.500 peak=848 ppm1=1.002 ppm2=7.655

assign ( resid 34 and name HG2#
	 )
       ( resid 62 and name H
	 ) 3.5 0.7 0.7 volume=148249840.500 peak=849 ppm1=1.001 ppm2=8.489

assign ( resid 54 and name HD#
	 )
       ( resid 34 and name HG2#
	 ) 3.4 0.7 0.7 volume=179948283.000 peak=850 ppm1=7.401 ppm2=1.006

assign ( resid 66 and name HD2#
	 )
       ( resid 30 and name HA
	 or resid 66 and name HA
	 ) 2.4 0.5 0.5 volume=1444640000.000 peak=853 ppm1=0.783 ppm2=4.136

assign ( resid 66 and name HD2#
	 )
       ( resid 30 and name HG3
	 ) 3.2 0.6 0.6 volume=238741176.500 peak=854 ppm1=0.781 ppm2=2.828

assign ( resid 34 and name HG1#
	 )
       ( resid 34 and name H
	 ) 2.6 0.5 0.5 volume=783457878.000 peak=855 ppm1=0.850 ppm2=8.023

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name H
	 ) 3.3 0.7 0.7 volume=216493661.875 peak=856 ppm1=1.099 ppm2=8.128

assign ( resid 45 and name HG2#
	 )
       ( resid 44 and name H
	 ) 4.4 0.9 0.9 volume=38694274.980 peak=857 ppm1=1.104 ppm2=8.361

assign ( resid 34 and name HG2#
	 )
       ( resid 35 and name HD1#
	 ) 3.2 0.6 0.6 volume=228463259.500 peak=860 ppm1=1.002 ppm2=0.095

assign ( resid 27 and name HG2#
	 )
       ( resid 49 and name HE#
	 ) 3.3 0.7 0.7 volume=196636017.000 peak=862 ppm1=1.151 ppm2=7.024

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name H
	 ) 3.4 0.7 0.7 volume=158949304.000 peak=863 ppm1=1.154 ppm2=8.380

assign ( resid 27 and name HG2#
	 )
       ( resid 31 and name H
	 ) 4.1 0.8 0.8 volume=56044037.000 peak=864 ppm1=1.152 ppm2=8.904

assign ( resid 78 and name HD2#
	 )
       ( resid 78 and name H
	 ) 3.6 0.7 0.7 volume=122680294.750 peak=865 ppm1=1.044 ppm2=7.358

assign ( resid 57 and name HD1#
	 )
       ( resid 57 and name H
	 ) 3.7 0.7 0.7 volume=100775925.500 peak=866 ppm1=1.008 ppm2=8.367

assign ( resid 57 and name HD1#
	 )
       ( resid 58 and name H
	 ) 4.2 0.8 0.8 volume=51264151.250 peak=867 ppm1=1.010 ppm2=8.992

assign ( resid 57 and name HD1#
	 )
       ( resid 57 and name HA
	 ) 3.5 0.7 0.7 volume=140218101.875 peak=870 ppm1=1.006 ppm2=4.481

assign ( resid 57 and name HD1#
	 )
       ( resid 57 and name HB2
	 ) 2.8 0.6 0.6 volume=527957661.500 peak=871 ppm1=1.007 ppm2=2.071

assign ( resid 57 and name HD1#
	 )
       ( resid 57 and name HB3
	 ) 2.5 0.5 0.5 volume=994558550.000 peak=872 ppm1=1.007 ppm2=1.746

assign ( resid 52 and name HD2#
	 )
       ( resid 52 and name H
	 ) 3.4 0.7 0.7 volume=159670075.000 peak=873 ppm1=0.757 ppm2=8.223

assign ( resid 52 and name HD2#
	 )
       ( resid 54 and name HD#
	 ) 3.7 0.7 0.7 volume=103361225.625 peak=874 ppm1=0.756 ppm2=7.395

assign ( resid 52 and name HD2#
	 )
       ( resid 54 and name HE#
	 or resid 80 and name HE#
	 ) 3.4 0.7 0.7 volume=169652168.000 peak=875 ppm1=0.757 ppm2=7.224

assign ( resid 52 and name HD2#
	 )
       ( resid 52 and name HA
	 ) 2.9 0.6 0.6 volume=417885489.000 peak=876 ppm1=0.757 ppm2=4.306

assign ( resid 31 and name HB#
	 )
       ( resid 35 and name HD2#
	 ) 3.3 0.7 0.7 volume=203599024.750 peak=879 ppm1=1.679 ppm2=0.628

assign ( resid 35 and name HB3
	 )
       ( resid 35 and name HD2#
	 ) 2.8 0.6 0.6 volume=612086174.500 peak=881 ppm1=1.165 ppm2=0.629

assign ( resid 35 and name HD2#
	 )
       ( resid 35 and name HG
	 ) 3.3 0.7 0.7 volume=189885112.250 peak=882 ppm1=0.625 ppm2=1.021

assign ( resid 35 and name HD2#
	 )
       ( resid 32 and name HA
	 ) 3.2 0.6 0.6 volume=265256675.000 peak=884 ppm1=0.629 ppm2=3.856

assign ( resid 35 and name HD2#
	 )
       ( resid 52 and name HA
	 ) 4.0 0.8 0.8 volume=63670192.750 peak=885 ppm1=0.623 ppm2=4.345

assign ( resid 35 and name HD2#
	 )
       ( resid 31 and name HA
	 ) 3.9 0.8 0.8 volume=72613851.750 peak=886 ppm1=0.626 ppm2=4.174

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HD2#
	 ) 3.2 0.6 0.6 volume=252305564.250 peak=887 ppm1=3.998 ppm2=0.629

assign ( resid 35 and name HD2#
	 )
       ( resid 37 and name H
	 or resid 52 and name H
	 ) 4.0 0.8 0.8 volume=65388952.500 peak=892 ppm1=0.624 ppm2=8.191

assign ( resid 35 and name HD2#
	 )
       ( resid 34 and name H
	 ) 4.4 0.9 0.9 volume=34404034.922 peak=893 ppm1=0.626 ppm2=8.021

assign ( resid 35 and name HD2#
	 )
       ( resid 36 and name H
	 ) 4.3 0.9 0.9 volume=42065057.781 peak=894 ppm1=0.628 ppm2=7.776

assign ( resid 35 and name HD2#
	 )
       ( resid 35 and name H
	 ) 3.0 0.6 0.6 volume=400066579.500 peak=895 ppm1=0.626 ppm2=7.648

assign ( resid 35 and name HD2#
	 )
       ( resid 32 and name H
	 ) 4.7 0.9 0.9 volume=26140779.383 peak=896 ppm1=0.625 ppm2=8.754

assign ( resid 32 and name HA
	 )
       ( resid 35 and name HB3
	 ) 3.7 0.7 0.7 volume=74864543.625 peak=899 ppm1=3.853 ppm2=1.175

assign ( resid 35 and name HB2
	 )
       ( resid 32 and name HA
	 ) 3.7 0.7 0.7 volume=108411907.000 peak=901 ppm1=1.384 ppm2=3.857

assign ( resid 37 and name HE#
	 )
       ( resid 35 and name HB2
	 ) 3.4 0.7 0.7 volume=66461674.375 peak=905 ppm1=6.839 ppm2=1.400

assign ( resid 35 and name HB2
	 )
       ( resid 36 and name H
	 ) 4.4 0.9 0.9 volume=37437334.188 peak=906 ppm1=1.378 ppm2=7.775

assign ( resid 35 and name HB3
	 )
       ( resid 36 and name H
	 ) 4.3 0.9 0.9 volume=40445513.938 peak=907 ppm1=1.170 ppm2=7.773

assign ( resid 35 and name HB2
	 )
       ( resid 35 and name H
	 ) 3.2 0.6 0.6 volume=238560959.500 peak=908 ppm1=1.383 ppm2=7.647

assign ( resid 35 and name HB3
	 )
       ( resid 35 and name H
	 ) 3.4 0.7 0.7 volume=184386078.250 peak=909 ppm1=1.164 ppm2=7.647

assign ( resid 35 and name HB2
	 )
       ( resid 37 and name H
	 ) 4.3 0.9 0.9 volume=40621847.625 peak=910 ppm1=1.387 ppm2=8.191

assign ( resid 35 and name HB3
	 )
       ( resid 37 and name H
	 ) 4.5 0.9 0.9 volume=32339033.594 peak=911 ppm1=1.159 ppm2=8.202

assign ( resid 35 and name HB3
	 )
       ( resid 35 and name HB2
	 ) 2.6 0.5 0.5 volume=660444382.000 peak=912 ppm1=1.163 ppm2=1.394

assign ( resid 35 and name HB2
	 )
       ( resid 34 and name HG1#
	 ) 3.9 0.8 0.8 volume=71729493.250 peak=913 ppm1=1.383 ppm2=0.870

assign ( resid 35 and name HB3
	 )
       ( resid 34 and name HG1#
	 or resid 43 and name HD1#
	 ) 4.2 0.8 0.8 volume=51559447.875 peak=914 ppm1=1.169 ppm2=0.859

assign ( resid 35 and name HB2
	 )
       ( resid 35 and name HD2#
	 ) 2.3 0.5 0.5 volume=295259911.000 peak=915 ppm1=1.382 ppm2=0.629

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name H
	 ) 3.4 0.7 0.7 volume=180059638.250 peak=919 ppm1=1.683 ppm2=8.245

assign ( resid 72 and name HB3
	 )
       ( resid 72 and name H
	 ) 3.4 0.7 0.7 volume=177125759.500 peak=920 ppm1=1.569 ppm2=7.742

assign ( resid 72 and name HB2
	 )
       ( resid 72 and name H
	 ) 3.6 0.7 0.7 volume=130384332.500 peak=921 ppm1=1.230 ppm2=7.739

assign ( resid 72 and name HB2
	 )
       ( resid 73 and name H
	 ) 3.6 0.7 0.7 volume=115756415.750 peak=922 ppm1=1.233 ppm2=8.554

assign ( resid 72 and name HB3
	 )
       ( resid 73 and name H
	 ) 4.0 0.8 0.8 volume=68120461.750 peak=923 ppm1=1.569 ppm2=8.552

assign ( resid 72 and name HB2
	 )
       ( resid 72 and name HA
	 ) 3.0 0.6 0.6 volume=175464205.000 peak=925 ppm1=1.231 ppm2=4.448

assign ( resid 72 and name HB2
	 )
       ( resid 70 and name HB
	 ) 4.3 0.9 0.9 volume=43243568.125 peak=926 ppm1=1.236 ppm2=4.157

assign ( resid 72 and name HB3
	 )
       ( resid 70 and name HB
	 ) 4.2 0.8 0.8 volume=47819930.562 peak=927 ppm1=1.579 ppm2=4.146

assign ( resid 72 and name HB2
	 )
       ( resid 72 and name HB3
	 ) 2.8 0.6 0.6 volume=598816585.000 peak=928 ppm1=1.228 ppm2=1.568

assign ( resid 72 and name HB2
	 )
       ( resid 72 and name HG
	 ) 3.1 0.6 0.6 volume=300664627.000 peak=931 ppm1=1.228 ppm2=1.471

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name H
	 ) 3.6 0.7 0.7 volume=125107700.750 peak=932 ppm1=1.521 ppm2=9.293

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name HA
	 ) 4.2 0.8 0.8 volume=46393659.938 peak=933 ppm1=1.523 ppm2=4.872

assign ( resid 74 and name HB3
	 )
       ( resid 63 and name HA
	 or resid 75 and name HB2
	 ) 4.5 0.9 0.9 volume=32123646.875 peak=934 ppm1=1.524 ppm2=3.655

assign ( resid 74 and name HB3
	 )
       ( resid 67 and name HG2
	 ) 3.9 0.8 0.8 volume=78006357.375 peak=936 ppm1=1.527 ppm2=2.633

assign ( resid 74 and name HB3
	 )
       ( resid 67 and name HB3
	 ) 4.5 0.9 0.9 volume=33764798.000 peak=937 ppm1=1.527 ppm2=2.286

assign ( resid 74 and name HB3
	 )
       ( resid 66 and name HB3
	 ) 3.8 0.8 0.8 volume=86670321.125 peak=938 ppm1=1.521 ppm2=2.039

assign ( resid 74 and name HB3
	 )
       ( resid 78 and name HD2#
	 ) 3.6 0.7 0.7 volume=117881977.000 peak=939 ppm1=1.525 ppm2=1.054

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name HD1#
	 ) 3.0 0.6 0.6 volume=361785515.500 peak=940 ppm1=1.521 ppm2=0.928

assign ( resid 14 and name HB2
	 )
       ( resid 15 and name H
	 ) 4.0 0.8 0.8 volume=64766176.750 peak=942 ppm1=1.907 ppm2=8.872

assign ( resid 14 and name HB3
	 )
       ( resid 15 and name H
	 ) 3.9 0.8 0.8 volume=79148118.875 peak=943 ppm1=1.756 ppm2=8.874

assign ( resid 14 and name HB2
	 )
       ( resid 19 and name H
	 ) 4.3 0.9 0.9 volume=44508819.938 peak=944 ppm1=1.895 ppm2=9.165

assign ( resid 14 and name HB3
	 )
       ( resid 19 and name H
	 ) 4.2 0.8 0.8 volume=50096975.125 peak=945 ppm1=1.752 ppm2=9.165

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name H
	 ) 3.3 0.7 0.7 volume=191712579.500 peak=946 ppm1=1.908 ppm2=7.377

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HA
	 ) 4.1 0.8 0.8 volume=55696857.750 peak=947 ppm1=1.906 ppm2=4.733

assign ( resid 14 and name HB2
	 )
       ( resid 19 and name HG3
	 ) 3.1 0.6 0.6 volume=112088467.750 peak=949 ppm1=1.910 ppm2=2.871

assign ( resid 14 and name HB3
	 )
       ( resid 19 and name HG3
	 ) 3.8 0.8 0.8 volume=94564798.750 peak=950 ppm1=1.757 ppm2=2.872

assign ( resid 14 and name HB2
	 )
       ( resid 18 and name HB2
	 ) 3.6 0.7 0.7 volume=122734181.250 peak=951 ppm1=1.906 ppm2=2.397

assign ( resid 14 and name HB2
	 )
       ( resid 18 and name HG2
	 ) 3.5 0.7 0.7 volume=135022479.250 peak=952 ppm1=1.911 ppm2=2.274

assign ( resid 14 and name HB2
	 )
       ( resid 18 and name HB3
	 ) 3.8 0.8 0.8 volume=89527890.750 peak=953 ppm1=1.906 ppm2=2.082

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD1#
	 ) 3.0 0.6 0.6 volume=393447290.000 peak=955 ppm1=1.907 ppm2=0.882

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HD1#
	 ) 2.7 0.5 0.5 volume=629757714.000 peak=956 ppm1=1.785 ppm2=0.891

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name HB2
	 ) 2.6 0.5 0.5 volume=873951608.000 peak=957 ppm1=1.823 ppm2=2.334

assign ( resid 52 and name HA
	 )
       ( resid 52 and name HB3
	 ) 2.7 0.5 0.5 volume=311442368.500 peak=959 ppm1=4.345 ppm2=1.834

assign ( resid 35 and name HD2#
	 )
       ( resid 52 and name HB2
	 ) 3.7 0.7 0.7 volume=73711888.125 peak=960 ppm1=0.625 ppm2=2.320

assign ( resid 52 and name HB3
	 )
       ( resid 35 and name HD2#
	 ) 3.3 0.7 0.7 volume=120922873.375 peak=961 ppm1=1.823 ppm2=0.629

assign ( resid 52 and name HB2
	 )
       ( resid 52 and name H
	 ) 3.2 0.6 0.6 volume=244146468.500 peak=962 ppm1=2.331 ppm2=8.221

assign ( resid 52 and name HB2
	 )
       ( resid 53 and name H
	 ) 4.2 0.8 0.8 volume=46528660.312 peak=963 ppm1=2.333 ppm2=7.773

assign ( resid 52 and name HB2
	 )
       ( resid 54 and name HD#
	 ) 3.5 0.7 0.7 volume=137267610.750 peak=964 ppm1=2.330 ppm2=7.399

assign ( resid 52 and name HB2
	 )
       ( resid 54 and name HZ
	 ) 4.3 0.9 0.9 volume=40087273.875 peak=965 ppm1=2.329 ppm2=6.912

assign ( resid 54 and name HE#
	 )
       ( resid 52 and name HB3
	 ) 3.7 0.7 0.7 volume=59420459.375 peak=967 ppm1=7.217 ppm2=1.821

assign ( resid 52 and name HB3
	 )
       ( resid 54 and name HD#
	 ) 3.6 0.7 0.7 volume=129687684.000 peak=968 ppm1=1.821 ppm2=7.391

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name H
	 ) 3.3 0.7 0.7 volume=199809946.000 peak=969 ppm1=1.822 ppm2=8.222

assign ( resid 52 and name HD2#
	 )
       ( resid 85 and name HD3
	 ) 4.1 0.8 0.8 volume=54556024.375 peak=970 ppm1=0.755 ppm2=2.496

assign ( resid 52 and name HD2#
	 )
       ( resid 52 and name HD1#
	 ) 2.3 0.5 0.5 volume=1035621665.000 peak=971 ppm1=0.756 ppm2=1.002

assign ( resid 52 and name HD1#
	 )
       ( resid 53 and name H
	 ) 4.2 0.8 0.8 volume=47042707.531 peak=972 ppm1=1.002 ppm2=7.773

assign ( resid 52 and name HD1#
	 )
       ( resid 52 and name H
	 ) 3.4 0.7 0.7 volume=169254679.875 peak=973 ppm1=1.003 ppm2=8.227

assign ( resid 52 and name HD1#
	 )
       ( resid 49 and name HE#
	 ) 4.2 0.8 0.8 volume=51212721.250 peak=974 ppm1=0.995 ppm2=7.007

assign ( resid 52 and name HD1#
	 )
       ( resid 37 and name HE#
	 ) 3.9 0.8 0.8 volume=70406242.375 peak=975 ppm1=0.997 ppm2=6.853

assign ( resid 52 and name HD1#
	 )
       ( resid 44 and name HB2
	 or resid 51 and name HB3
	 or resid 54 and name HB2
	 ) 4.0 0.8 0.8 volume=62629909.312 peak=976 ppm1=1.000 ppm2=2.810

assign ( resid 52 and name HD1#
	 )
       ( resid 44 and name HB3
	 or resid 54 and name HB3
	 ) 4.4 0.9 0.9 volume=36746976.781 peak=977 ppm1=1.002 ppm2=2.637

assign ( resid 99 and name HB
	 )
       ( resid 100 and name H
	 ) 3.4 0.7 0.7 volume=179274527.500 peak=978 ppm1=1.952 ppm2=8.205

assign ( resid 99 and name HB
	 )
       ( resid 19 and name HE21
	 ) 4.1 0.8 0.8 volume=57920659.625 peak=979 ppm1=1.953 ppm2=7.159

assign ( resid 99 and name HB
	 )
       ( resid 19 and name HE22
	 ) 3.7 0.7 0.7 volume=104033652.250 peak=980 ppm1=1.951 ppm2=6.813

assign ( resid 96 and name HB
	 )
       ( resid 96 and name H
	 ) 2.8 0.6 0.6 volume=566893844.000 peak=981 ppm1=1.920 ppm2=7.310

assign ( resid 96 and name HB
	 )
       ( resid 95 and name H
	 ) 4.1 0.8 0.8 volume=54323822.875 peak=982 ppm1=1.920 ppm2=7.467

assign ( resid 96 and name HB
	 )
       ( resid 97 and name HD3
	 ) 3.6 0.7 0.7 volume=131941215.000 peak=985 ppm1=1.921 ppm2=3.681

assign ( resid 96 and name HB
	 )
       ( resid 96 and name HG12
	 ) 2.9 0.6 0.6 volume=422551855.000 peak=987 ppm1=1.922 ppm2=1.227

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HG2#
	 ) 2.4 0.5 0.5 volume=1339667644.000 peak=988 ppm1=1.938 ppm2=0.904

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HA
	 ) 2.7 0.5 0.5 volume=568234748.000 peak=989 ppm1=1.950 ppm2=4.348

assign ( resid 99 and name HG13
	 )
       ( resid 99 and name HB
	 ) 2.9 0.6 0.6 volume=429301919.500 peak=990 ppm1=1.427 ppm2=1.951

assign ( resid 81 and name HB2
	 )
       ( resid 81 and name HA
	 ) 3.1 0.6 0.6 volume=262499259.500 peak=993 ppm1=2.357 ppm2=4.089

assign ( resid 81 and name HA
	 )
       ( resid 81 and name HB3
	 ) 2.8 0.6 0.6 volume=414093507.000 peak=994 ppm1=4.092 ppm2=2.070

assign ( resid 81 and name HB2
	 )
       ( resid 81 and name HB3
	 ) 2.6 0.5 0.5 volume=849690538.000 peak=995 ppm1=2.358 ppm2=2.070

assign ( resid 81 and name HB2
	 )
       ( resid 82 and name HD2
	 ) 3.5 0.7 0.7 volume=146954612.750 peak=996 ppm1=2.357 ppm2=6.698

assign ( resid 81 and name HB3
	 )
       ( resid 82 and name HD2
	 ) 3.6 0.7 0.7 volume=127549797.000 peak=997 ppm1=2.068 ppm2=6.699

assign ( resid 81 and name HB2
	 )
       ( resid 82 and name H
	 ) 3.5 0.7 0.7 volume=140296828.250 peak=998 ppm1=2.359 ppm2=7.689

assign ( resid 81 and name HB3
	 )
       ( resid 82 and name H
	 ) 3.5 0.7 0.7 volume=143706173.250 peak=999 ppm1=2.065 ppm2=7.683

assign ( resid 81 and name HB2
	 )
       ( resid 81 and name H
	 ) 3.3 0.7 0.7 volume=199159251.500 peak=1000 ppm1=2.358 ppm2=8.028

assign ( resid 81 and name HB3
	 )
       ( resid 81 and name H
	 ) 3.3 0.7 0.7 volume=195153426.000 peak=1001 ppm1=2.068 ppm2=8.025

assign ( resid 57 and name HB2
	 )
       ( resid 58 and name H
	 ) 3.1 0.6 0.6 volume=275864752.500 peak=1002 ppm1=2.066 ppm2=8.992

assign ( resid 57 and name HB3
	 )
       ( resid 58 and name H
	 ) 3.3 0.7 0.7 volume=189096216.000 peak=1003 ppm1=1.749 ppm2=8.991

assign ( resid 26 and name HB3
	 )
       ( resid 26 and name H
	 ) 2.9 0.6 0.6 volume=422196481.500 peak=1004 ppm1=2.074 ppm2=7.794

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name H
	 ) 2.9 0.6 0.6 volume=445512607.000 peak=1005 ppm1=1.728 ppm2=7.794

assign ( resid 26 and name HB3
	 )
       ( resid 27 and name H
	 ) 3.2 0.6 0.6 volume=246622078.500 peak=1006 ppm1=2.073 ppm2=7.964

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HB3
	 ) 2.6 0.5 0.5 volume=342420166.500 peak=1008 ppm1=4.474 ppm2=1.748

assign ( resid 26 and name HB3
	 )
       ( resid 26 and name HA
	 ) 3.3 0.7 0.7 volume=214566351.500 peak=1009 ppm1=2.073 ppm2=4.344

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name HA
	 ) 2.8 0.6 0.6 volume=376966521.000 peak=1010 ppm1=1.728 ppm2=4.345

assign ( resid 26 and name HB2
	 )
       ( resid 23 and name HB
	 ) 3.4 0.7 0.7 volume=167459155.500 peak=1011 ppm1=1.728 ppm2=3.805

assign ( resid 26 and name HB3
	 )
       ( resid 23 and name HB
	 ) 3.3 0.7 0.7 volume=208073620.500 peak=1012 ppm1=2.074 ppm2=3.804

assign ( resid 58 and name HA
	 )
       ( resid 57 and name HB3
	 ) 3.9 0.8 0.8 volume=75473821.125 peak=1013 ppm1=4.119 ppm2=1.754

assign ( resid 66 and name HB3
	 )
       ( resid 66 and name HA
	 ) 3.2 0.6 0.6 volume=254234655.500 peak=1014 ppm1=2.042 ppm2=4.130

assign ( resid 60 and name HB3
	 )
       ( resid 60 and name H
	 ) 2.7 0.5 0.5 volume=653544582.000 peak=1015 ppm1=1.913 ppm2=7.202

assign ( resid 60 and name HB3
	 )
       ( resid 61 and name H
	 ) 3.0 0.6 0.6 volume=363990572.000 peak=1016 ppm1=1.916 ppm2=7.668

assign ( resid 60 and name HB3
	 )
       ( resid 57 and name HA
	 ) 3.6 0.7 0.7 volume=117742734.750 peak=1017 ppm1=1.912 ppm2=4.481

assign ( resid 60 and name HB3
	 )
       ( resid 60 and name HA
	 ) 2.8 0.6 0.6 volume=495628790.000 peak=1018 ppm1=1.916 ppm2=4.164

assign ( resid 57 and name HB2
	 )
       ( resid 57 and name HB3
	 ) 2.0 0.3 0.4 volume=3641486560.000 peak=1019 ppm1=2.067 ppm2=1.745

assign ( resid 57 and name HB2
	 )
       ( resid 58 and name HG2#
	 ) 3.3 0.7 0.7 volume=189108946.000 peak=1021 ppm1=2.066 ppm2=1.248

assign ( resid 26 and name HD1#
	 )
       ( resid 26 and name HB3
	 ) 2.8 0.6 0.6 volume=528545444.000 peak=1023 ppm1=0.931 ppm2=2.073

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name HD1#
	 ) 2.7 0.5 0.5 volume=714113802.000 peak=1024 ppm1=1.740 ppm2=0.944

assign ( resid 57 and name HB2
	 )
       ( resid 57 and name H
	 ) 2.9 0.6 0.6 volume=448212803.000 peak=1025 ppm1=2.066 ppm2=8.365

assign ( resid 66 and name HB3
	 )
       ( resid 66 and name H
	 ) 3.2 0.6 0.6 volume=244371771.500 peak=1026 ppm1=2.032 ppm2=8.778

assign ( resid 28 and name HB2
	 )
       ( resid 29 and name H
	 ) 3.3 0.7 0.7 volume=188969000.250 peak=1027 ppm1=1.974 ppm2=9.300

assign ( resid 28 and name HB2
	 )
       ( resid 28 and name H
	 ) 3.0 0.6 0.6 volume=358676111.000 peak=1028 ppm1=1.975 ppm2=8.378

assign ( resid 28 and name HB3
	 )
       ( resid 29 and name H
	 ) 3.5 0.7 0.7 volume=138781933.750 peak=1029 ppm1=1.582 ppm2=9.301

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name H
	 ) 3.0 0.6 0.6 volume=353554238.000 peak=1030 ppm1=1.579 ppm2=8.378

assign ( resid 28 and name HB2
	 )
       ( resid 28 and name HA
	 ) 2.9 0.6 0.6 volume=430044985.000 peak=1031 ppm1=1.974 ppm2=3.992

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HA
	 ) 2.9 0.6 0.6 volume=428938761.000 peak=1032 ppm1=1.581 ppm2=3.992

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HB2
	 ) 2.5 0.5 0.5 volume=974211422.000 peak=1034 ppm1=1.582 ppm2=1.978

assign ( resid 28 and name HG
	 )
       ( resid 28 and name HB3
	 ) 2.7 0.5 0.5 volume=655230090.000 peak=1036 ppm1=1.804 ppm2=1.574

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HB2
	 ) 2.7 0.5 0.5 volume=456126271.000 peak=1037 ppm1=0.890 ppm2=1.977

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name H
	 ) 3.4 0.7 0.7 volume=168453702.500 peak=1038 ppm1=0.891 ppm2=8.376

assign ( resid 28 and name HD1#
	 )
       ( resid 29 and name H
	 ) 4.3 0.9 0.9 volume=43864153.406 peak=1040 ppm1=0.888 ppm2=9.301

assign ( resid 28 and name HD1#
	 )
       ( resid 25 and name HA
	 or resid 28 and name HA
	 ) 2.8 0.6 0.6 volume=501815067.500 peak=1041 ppm1=0.890 ppm2=3.991

assign ( resid 28 and name HD1#
	 )
       ( resid 24 and name HD3
	 ) 4.3 0.9 0.9 volume=44196845.000 peak=1042 ppm1=0.894 ppm2=3.064

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HG
	 ) 2.6 0.5 0.5 volume=835420748.000 peak=1044 ppm1=0.890 ppm2=1.804

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HB3
	 ) 2.7 0.5 0.5 volume=711125812.000 peak=1045 ppm1=0.897 ppm2=1.594

assign ( resid 66 and name HD2#
	 )
       ( resid 31 and name H
	 or resid 67 and name H
	 ) 3.6 0.7 0.7 volume=126222124.750 peak=1047 ppm1=0.780 ppm2=8.903

assign ( resid 66 and name HD2#
	 )
       ( resid 64 and name H
	 or resid 66 and name H
	 ) 3.3 0.7 0.7 volume=220434176.250 peak=1048 ppm1=0.780 ppm2=8.776

assign ( resid 50 and name HB3
	 )
       ( resid 50 and name H
	 ) 3.1 0.6 0.6 volume=288949213.500 peak=1049 ppm1=1.985 ppm2=8.821

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name H
	 ) 3.2 0.6 0.6 volume=267840084.000 peak=1050 ppm1=1.874 ppm2=8.821

assign ( resid 50 and name HB2
	 )
       ( resid 51 and name H
	 ) 3.4 0.7 0.7 volume=161751552.000 peak=1051 ppm1=1.874 ppm2=8.089

assign ( resid 50 and name HB3
	 )
       ( resid 52 and name H
	 ) 4.4 0.9 0.9 volume=35541890.594 peak=1052 ppm1=1.983 ppm2=8.214

assign ( resid 50 and name HB2
	 )
       ( resid 52 and name H
	 ) 4.5 0.9 0.9 volume=30928111.688 peak=1053 ppm1=1.873 ppm2=8.217

assign ( resid 25 and name HB2
	 )
       ( resid 25 and name H
	 ) 3.0 0.6 0.6 volume=398262177.000 peak=1054 ppm1=1.982 ppm2=7.674

assign ( resid 25 and name HB3
	 )
       ( resid 25 and name H
	 ) 3.0 0.6 0.6 volume=383681020.500 peak=1055 ppm1=1.884 ppm2=7.672

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HB3
	 ) 2.8 0.6 0.6 volume=374306480.500 peak=1056 ppm1=4.309 ppm2=1.991

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HB2
	 ) 3.0 0.6 0.6 volume=319371294.000 peak=1057 ppm1=4.309 ppm2=1.864

assign ( resid 25 and name HB2
	 )
       ( resid 25 and name HA
	 ) 2.8 0.6 0.6 volume=323834589.500 peak=1058 ppm1=1.981 ppm2=3.990

assign ( resid 50 and name HB3
	 )
       ( resid 50 and name HE2
	 ) 3.9 0.8 0.8 volume=76833093.000 peak=1060 ppm1=1.983 ppm2=3.067

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HE2
	 ) 3.9 0.8 0.8 volume=78563789.500 peak=1061 ppm1=1.879 ppm2=3.066

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HG2
	 ) 2.6 0.5 0.5 volume=788257132.000 peak=1063 ppm1=1.883 ppm2=1.624

assign ( resid 25 and name HB2
	 )
       ( resid 25 and name HG2
	 ) 2.7 0.5 0.5 volume=743890989.000 peak=1064 ppm1=1.982 ppm2=1.498

assign ( resid 25 and name HB3
	 )
       ( resid 25 and name HG2
	 ) 2.7 0.5 0.5 volume=724616286.000 peak=1065 ppm1=1.884 ppm2=1.498

assign ( resid 83 and name HA
	 )
       ( resid 83 and name HB3
	 ) 2.9 0.6 0.6 volume=146701368.500 peak=1066 ppm1=5.093 ppm2=2.293

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HE21
	 ) 3.2 0.6 0.6 volume=234863920.000 peak=1067 ppm1=2.263 ppm2=6.624

assign ( resid 95 and name HG3
	 )
       ( resid 95 and name HE21
	 ) 3.4 0.7 0.7 volume=169612553.250 peak=1068 ppm1=1.965 ppm2=6.624

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HE22
	 ) 3.9 0.8 0.8 volume=76440929.375 peak=1069 ppm1=2.263 ppm2=6.411

assign ( resid 95 and name HG3
	 )
       ( resid 95 and name HE22
	 ) 4.1 0.8 0.8 volume=54126399.438 peak=1070 ppm1=1.964 ppm2=6.409

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name H
	 ) 3.1 0.6 0.6 volume=302916387.500 peak=1071 ppm1=2.263 ppm2=7.474

assign ( resid 95 and name HG3
	 )
       ( resid 95 and name H
	 ) 3.3 0.7 0.7 volume=216544505.500 peak=1072 ppm1=1.965 ppm2=7.473

assign ( resid 83 and name HB3
	 )
       ( resid 84 and name H
	 ) 4.1 0.8 0.8 volume=57154883.938 peak=1073 ppm1=2.270 ppm2=7.314

assign ( resid 83 and name HB2
	 )
       ( resid 84 and name H
	 ) 4.1 0.8 0.8 volume=58110674.000 peak=1074 ppm1=1.967 ppm2=7.318

assign ( resid 95 and name HG2
	 )
       ( resid 92 and name HA
	 ) 3.5 0.7 0.7 volume=142897255.750 peak=1075 ppm1=2.264 ppm2=3.600

assign ( resid 95 and name HG3
	 )
       ( resid 92 and name HA
	 ) 3.7 0.7 0.7 volume=111016206.500 peak=1076 ppm1=1.968 ppm2=3.598

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HG3
	 ) 2.2 0.4 0.4 volume=1946337916.000 peak=1077 ppm1=2.263 ppm2=1.960

assign ( resid 95 and name HG2
	 )
       ( resid 74 and name HD2#
	 ) 3.4 0.7 0.7 volume=185928956.250 peak=1079 ppm1=2.264 ppm2=0.811

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name H
	 ) 3.5 0.7 0.7 volume=138229452.250 peak=1080 ppm1=2.369 ppm2=7.686

assign ( resid 82 and name HD2
	 )
       ( resid 82 and name HB2
	 ) 3.3 0.7 0.7 volume=74160246.750 peak=1081 ppm1=6.694 ppm2=2.363

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HA
	 ) 4.1 0.8 0.8 volume=54490098.062 peak=1082 ppm1=2.369 ppm2=4.970

assign ( resid 82 and name HB2
	 )
       ( resid 88 and name HA
	 ) 3.4 0.7 0.7 volume=182237714.500 peak=1083 ppm1=2.367 ppm2=3.420

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HB2
	 ) 3.2 0.6 0.6 volume=152311230.750 peak=1085 ppm1=3.736 ppm2=1.904

assign ( resid 24 and name HB3
	 )
       ( resid 24 and name HA
	 ) 2.9 0.6 0.6 volume=142288222.500 peak=1086 ppm1=1.801 ppm2=3.742

assign ( resid 46 and name HA
	 )
       ( resid 46 and name HB3
	 ) 3.0 0.6 0.6 volume=158540798.500 peak=1087 ppm1=4.613 ppm2=3.292

assign ( resid 46 and name HA
	 )
       ( resid 46 and name HB2
	 ) 3.1 0.6 0.6 volume=130939247.500 peak=1088 ppm1=4.611 ppm2=2.961

assign ( resid 46 and name HB2
	 )
       ( resid 46 and name HB3
	 ) 2.5 0.5 0.5 volume=1007703264.000 peak=1089 ppm1=2.956 ppm2=3.292

assign ( resid 46 and name HB3
	 )
       ( resid 84 and name HG2#
	 ) 4.2 0.8 0.8 volume=50273135.250 peak=1091 ppm1=3.289 ppm2=1.002

assign ( resid 46 and name HB2
	 )
       ( resid 84 and name HG2#
	 ) 4.4 0.9 0.9 volume=36403311.250 peak=1092 ppm1=2.955 ppm2=1.002

assign ( resid 46 and name HB3
	 )
       ( resid 47 and name H
	 ) 4.5 0.9 0.9 volume=32756613.188 peak=1095 ppm1=3.291 ppm2=7.519

assign ( resid 46 and name HB2
	 )
       ( resid 47 and name H
	 ) 4.4 0.9 0.9 volume=38981412.844 peak=1096 ppm1=2.955 ppm2=7.518

assign ( resid 46 and name HB3
	 )
       ( resid 46 and name H
	 ) 4.0 0.8 0.8 volume=63302378.000 peak=1097 ppm1=3.289 ppm2=8.526

assign ( resid 46 and name HB2
	 )
       ( resid 46 and name H
	 ) 3.9 0.8 0.8 volume=78902989.625 peak=1098 ppm1=2.958 ppm2=8.522

assign ( resid 82 and name HD2
	 )
       ( resid 82 and name HB3
	 ) 3.7 0.7 0.7 volume=95364700.000 peak=1099 ppm1=6.693 ppm2=3.123

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HA
	 ) 4.3 0.9 0.9 volume=40455518.125 peak=1100 ppm1=3.121 ppm2=4.972

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name H
	 ) 3.4 0.7 0.7 volume=185312983.750 peak=1101 ppm1=3.121 ppm2=7.689

assign ( resid 82 and name HB3
	 )
       ( resid 86 and name H
	 or resid 88 and name H
	 ) 4.2 0.8 0.8 volume=50704005.625 peak=1102 ppm1=3.121 ppm2=8.557

assign ( resid 82 and name HB2
	 )
       ( resid 88 and name H
	 or resid 89 and name H
	 ) 3.9 0.8 0.8 volume=75339492.375 peak=1103 ppm1=2.372 ppm2=8.558

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HB3
	 ) 2.7 0.5 0.5 volume=731988082.000 peak=1105 ppm1=2.367 ppm2=3.122

assign ( resid 82 and name HB3
	 )
       ( resid 79 and name HA
	 ) 4.3 0.9 0.9 volume=41737473.312 peak=1106 ppm1=3.116 ppm2=3.838

assign ( resid 82 and name HB3
	 )
       ( resid 87 and name HB#
	 ) 3.3 0.7 0.7 volume=199819783.000 peak=1107 ppm1=3.122 ppm2=1.745

assign ( resid 88 and name HG2#
	 )
       ( resid 82 and name HB3
	 ) 3.1 0.6 0.6 volume=328865250.500 peak=1109 ppm1=1.324 ppm2=3.122

assign ( resid 82 and name HB2
	 )
       ( resid 88 and name HG2#
	 ) 3.1 0.6 0.6 volume=303448524.000 peak=1110 ppm1=2.368 ppm2=1.329

assign ( resid 82 and name HB3
	 )
       ( resid 88 and name HG1#
	 ) 4.2 0.8 0.8 volume=45454213.000 peak=1112 ppm1=3.113 ppm2=0.904

assign ( resid 82 and name HB2
	 )
       ( resid 78 and name HD2#
	 ) 4.0 0.8 0.8 volume=69529643.750 peak=1113 ppm1=2.369 ppm2=1.052

assign ( resid 18 and name HB2
	 )
       ( resid 19 and name H
	 ) 3.7 0.7 0.7 volume=96585605.500 peak=1114 ppm1=2.401 ppm2=9.161

assign ( resid 18 and name HB3
	 )
       ( resid 19 and name H
	 ) 3.8 0.8 0.8 volume=89711836.250 peak=1115 ppm1=2.082 ppm2=9.161

assign ( resid 18 and name HB2
	 )
       ( resid 15 and name H
	 ) 3.6 0.7 0.7 volume=130908597.250 peak=1116 ppm1=2.397 ppm2=8.875

assign ( resid 18 and name HB2
	 )
       ( resid 18 and name H
	 ) 3.4 0.7 0.7 volume=187134003.500 peak=1117 ppm1=2.397 ppm2=7.609

assign ( resid 18 and name HB3
	 )
       ( resid 18 and name HB2
	 ) 2.5 0.5 0.5 volume=1093895326.000 peak=1119 ppm1=2.077 ppm2=2.386

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name H
	 ) 3.3 0.7 0.7 volume=203002464.000 peak=1122 ppm1=1.909 ppm2=8.572

assign ( resid 24 and name HB3
	 )
       ( resid 24 and name H
	 ) 3.4 0.7 0.7 volume=172794533.500 peak=1123 ppm1=1.801 ppm2=8.573

assign ( resid 24 and name HB2
	 )
       ( resid 25 and name H
	 ) 3.4 0.7 0.7 volume=160099709.750 peak=1124 ppm1=1.919 ppm2=7.687

assign ( resid 24 and name HB3
	 )
       ( resid 25 and name H
	 ) 3.6 0.7 0.7 volume=113059384.750 peak=1125 ppm1=1.809 ppm2=7.679

assign ( resid 24 and name HB3
	 )
       ( resid 21 and name HA
	 ) 3.8 0.8 0.8 volume=93008759.250 peak=1126 ppm1=1.805 ppm2=4.125

assign ( resid 24 and name HB3
	 )
       ( resid 24 and name HD3
	 ) 4.0 0.8 0.8 volume=64211578.688 peak=1127 ppm1=1.810 ppm2=3.056

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name HD2
	 ) 3.7 0.7 0.7 volume=109203235.750 peak=1128 ppm1=1.909 ppm2=3.034

assign ( resid 49 and name HE#
	 )
       ( resid 88 and name HB
	 ) 3.9 0.8 0.8 volume=71040627.750 peak=1129 ppm1=7.017 ppm2=2.329

assign ( resid 88 and name HB
	 )
       ( resid 88 and name H
	 ) 2.7 0.5 0.5 volume=764080580.000 peak=1131 ppm1=2.324 ppm2=8.554

assign ( resid 88 and name HA
	 )
       ( resid 88 and name HB
	 ) 3.1 0.6 0.6 volume=211549116.500 peak=1133 ppm1=3.418 ppm2=2.337

assign ( resid 88 and name HB
	 )
       ( resid 88 and name HG2#
	 ) 2.6 0.5 0.5 volume=543622601.000 peak=1134 ppm1=2.324 ppm2=1.327

assign ( resid 88 and name HG1#
	 )
       ( resid 88 and name HB
	 ) 2.6 0.5 0.5 volume=669284327.000 peak=1135 ppm1=0.901 ppm2=2.322

assign ( resid 34 and name HB
	 )
       ( resid 34 and name H
	 ) 2.7 0.5 0.5 volume=657615557.000 peak=1136 ppm1=2.252 ppm2=8.012

assign ( resid 34 and name HB
	 )
       ( resid 35 and name H
	 ) 3.2 0.6 0.6 volume=268537131.500 peak=1137 ppm1=2.249 ppm2=7.652

assign ( resid 34 and name HB
	 )
       ( resid 54 and name HZ
	 or resid 54 and name HD#
	 ) 3.6 0.7 0.7 volume=131068837.250 peak=1138 ppm1=2.249 ppm2=7.356

assign ( resid 34 and name HA
	 )
       ( resid 34 and name HB
	 ) 2.9 0.6 0.6 volume=405325600.500 peak=1140 ppm1=3.710 ppm2=2.249

assign ( resid 34 and name HB
	 )
       ( resid 31 and name HA
	 ) 3.3 0.7 0.7 volume=196172005.500 peak=1141 ppm1=2.250 ppm2=4.182

assign ( resid 34 and name HG2#
	 )
       ( resid 34 and name HB
	 ) 2.6 0.5 0.5 volume=746727428.000 peak=1142 ppm1=1.002 ppm2=2.238

assign ( resid 20 and name HB2
	 )
       ( resid 20 and name H
	 ) 3.2 0.6 0.6 volume=232311740.500 peak=1144 ppm1=1.944 ppm2=7.995

assign ( resid 20 and name HB3
	 )
       ( resid 20 and name H
	 ) 3.3 0.7 0.7 volume=215913076.000 peak=1145 ppm1=1.840 ppm2=7.994

assign ( resid 20 and name HB2
	 )
       ( resid 21 and name H
	 ) 3.4 0.7 0.7 volume=169752737.000 peak=1146 ppm1=1.947 ppm2=7.706

assign ( resid 20 and name HB3
	 )
       ( resid 21 and name H
	 ) 3.6 0.7 0.7 volume=118335919.500 peak=1147 ppm1=1.842 ppm2=7.704

assign ( resid 20 and name HA
	 )
       ( resid 20 and name HB2
	 ) 3.1 0.6 0.6 volume=292516978.500 peak=1148 ppm1=3.899 ppm2=1.933

assign ( resid 20 and name HB3
	 )
       ( resid 20 and name HA
	 ) 3.0 0.6 0.6 volume=205915732.500 peak=1149 ppm1=1.841 ppm2=3.905

assign ( resid 20 and name HD3
	 )
       ( resid 20 and name HB2
	 ) 3.2 0.6 0.6 volume=155893616.250 peak=1150 ppm1=3.187 ppm2=1.924

assign ( resid 20 and name HB3
	 )
       ( resid 20 and name HD3
	 ) 3.4 0.7 0.7 volume=166420428.250 peak=1151 ppm1=1.841 ppm2=3.189

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name H
	 ) 3.2 0.6 0.6 volume=245250360.500 peak=1152 ppm1=2.866 ppm2=9.162

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name H
	 ) 3.5 0.7 0.7 volume=151121108.000 peak=1153 ppm1=2.253 ppm2=9.161

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name HE21
	 ) 3.5 0.7 0.7 volume=138536589.250 peak=1154 ppm1=2.866 ppm2=7.153

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name HE21
	 ) 3.5 0.7 0.7 volume=139389398.750 peak=1155 ppm1=2.252 ppm2=7.155

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name HE22
	 ) 3.8 0.8 0.8 volume=86560939.000 peak=1156 ppm1=2.868 ppm2=6.812

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name HE22
	 ) 3.8 0.8 0.8 volume=90027889.500 peak=1157 ppm1=2.254 ppm2=6.815

assign ( resid 19 and name HG3
	 )
       ( resid 20 and name H
	 ) 4.2 0.8 0.8 volume=49126287.875 peak=1158 ppm1=2.868 ppm2=7.994

assign ( resid 19 and name HG2
	 )
       ( resid 20 and name H
	 ) 4.4 0.9 0.9 volume=35219652.812 peak=1159 ppm1=2.238 ppm2=7.989

assign ( resid 11 and name HA
	 )
       ( resid 19 and name HG2
	 ) 3.9 0.8 0.8 volume=47523220.062 peak=1160 ppm1=4.346 ppm2=2.257

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HG2
	 ) 3.0 0.6 0.6 volume=162798869.750 peak=1161 ppm1=3.841 ppm2=2.256

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name HA
	 ) 3.4 0.7 0.7 volume=167942119.250 peak=1162 ppm1=2.866 ppm2=3.848

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name HG2
	 ) 2.9 0.6 0.6 volume=396067953.000 peak=1164 ppm1=2.866 ppm2=2.258

assign ( resid 19 and name HG2
	 )
       ( resid 11 and name HB2
	 ) 3.5 0.7 0.7 volume=133282998.000 peak=1167 ppm1=2.254 ppm2=1.765

assign ( resid 19 and name HG2
	 )
       ( resid 11 and name HB3
	 ) 3.7 0.7 0.7 volume=108842725.750 peak=1168 ppm1=2.253 ppm2=1.505

assign ( resid 19 and name HG3
	 )
       ( resid 11 and name HB2
	 or resid 14 and name HB3
	 ) 3.5 0.7 0.7 volume=140533421.250 peak=1170 ppm1=2.869 ppm2=1.763

assign ( resid 19 and name HG2
	 )
       ( resid 11 and name HD2#
	 ) 3.2 0.6 0.6 volume=239788761.500 peak=1172 ppm1=2.253 ppm2=0.776

assign ( resid 19 and name HG3
	 )
       ( resid 11 and name HD2#
	 ) 3.2 0.6 0.6 volume=243663685.000 peak=1173 ppm1=2.865 ppm2=0.795

assign ( resid 67 and name HG3
	 )
       ( resid 68 and name H
	 ) 4.6 0.9 0.9 volume=29131664.562 peak=1174 ppm1=2.857 ppm2=8.290

assign ( resid 67 and name HG2
	 )
       ( resid 68 and name H
	 ) 4.3 0.9 0.9 volume=39251734.438 peak=1175 ppm1=2.633 ppm2=8.289

assign ( resid 67 and name HG2
	 )
       ( resid 67 and name HE21
	 ) 3.9 0.8 0.8 volume=74174953.000 peak=1176 ppm1=2.628 ppm2=7.436

assign ( resid 67 and name HG3
	 )
       ( resid 67 and name HE21
	 ) 3.9 0.8 0.8 volume=77504958.500 peak=1177 ppm1=2.862 ppm2=7.431

assign ( resid 67 and name HG2
	 )
       ( resid 67 and name HE22
	 ) 4.3 0.9 0.9 volume=44044928.500 peak=1178 ppm1=2.633 ppm2=6.897

assign ( resid 67 and name HG3
	 )
       ( resid 67 and name HE22
	 ) 4.1 0.8 0.8 volume=53640596.375 peak=1179 ppm1=2.857 ppm2=6.886

assign ( resid 67 and name HG2
	 )
       ( resid 64 and name HA
	 ) 4.4 0.9 0.9 volume=35932708.625 peak=1180 ppm1=2.631 ppm2=4.396

assign ( resid 67 and name HG2
	 )
       ( resid 67 and name HG3
	 ) 2.7 0.5 0.5 volume=536640785.000 peak=1184 ppm1=2.631 ppm2=2.863

assign ( resid 67 and name HG2
	 )
       ( resid 67 and name HB3
	 ) 3.3 0.7 0.7 volume=205044469.000 peak=1185 ppm1=2.632 ppm2=2.280

assign ( resid 67 and name HG2
	 )
       ( resid 72 and name HB3
	 or resid 74 and name HB3
	 ) 3.5 0.7 0.7 volume=143861413.250 peak=1186 ppm1=2.632 ppm2=1.531

assign ( resid 67 and name HG3
	 )
       ( resid 74 and name HB3
	 ) 3.4 0.7 0.7 volume=176506556.500 peak=1187 ppm1=2.862 ppm2=1.528

assign ( resid 67 and name HG2
	 )
       ( resid 66 and name HB2
	 ) 4.3 0.9 0.9 volume=41487188.875 peak=1188 ppm1=2.632 ppm2=0.923

assign ( resid 90 and name HG2
	 )
       ( resid 93 and name HD2#
	 ) 4.5 0.9 0.9 volume=31627480.375 peak=1190 ppm1=2.101 ppm2=0.815

assign ( resid 90 and name HG2
	 )
       ( resid 89 and name HB#
	 ) 4.4 0.9 0.9 volume=36199508.812 peak=1191 ppm1=2.106 ppm2=1.406

assign ( resid 90 and name HG2
	 )
       ( resid 87 and name HB#
	 ) 4.3 0.9 0.9 volume=39735663.938 peak=1192 ppm1=2.112 ppm2=1.758

assign ( resid 90 and name HG3
	 )
       ( resid 90 and name HA
	 ) 3.1 0.6 0.6 volume=226084527.000 peak=1193 ppm1=2.232 ppm2=3.881

assign ( resid 90 and name HG2
	 )
       ( resid 90 and name HA
	 ) 3.3 0.7 0.7 volume=194468263.500 peak=1194 ppm1=2.105 ppm2=3.882

assign ( resid 90 and name HG2
	 )
       ( resid 87 and name HA
	 ) 3.8 0.8 0.8 volume=85321657.250 peak=1195 ppm1=2.105 ppm2=4.226

assign ( resid 90 and name HG3
	 )
       ( resid 90 and name H
	 ) 3.2 0.6 0.6 volume=266688421.500 peak=1196 ppm1=2.231 ppm2=7.816

assign ( resid 90 and name HG2
	 )
       ( resid 90 and name H
	 ) 3.2 0.6 0.6 volume=242546544.000 peak=1197 ppm1=2.106 ppm2=7.817

assign ( resid 90 and name HG2
	 )
       ( resid 89 and name H
	 ) 4.6 0.9 0.9 volume=27743106.906 peak=1198 ppm1=2.104 ppm2=8.555

assign ( resid 90 and name HG2
	 )
       ( resid 91 and name H
	 ) 4.0 0.8 0.8 volume=60929777.250 peak=1199 ppm1=2.103 ppm2=7.705

assign ( resid 90 and name HG2
	 )
       ( resid 90 and name HB3
	 ) 2.8 0.6 0.6 volume=525522640.000 peak=1200 ppm1=2.107 ppm2=1.981

assign ( resid 90 and name HG2
	 )
       ( resid 90 and name HG3
	 ) 2.2 0.4 0.4 volume=2536882992.000 peak=1202 ppm1=2.106 ppm2=2.234

assign ( resid 90 and name HG3
	 )
       ( resid 89 and name HB#
	 ) 4.3 0.9 0.9 volume=39547830.688 peak=1203 ppm1=2.229 ppm2=1.413

assign ( resid 18 and name HG2
	 )
       ( resid 18 and name HA
	 ) 3.2 0.6 0.6 volume=269560957.500 peak=1204 ppm1=2.290 ppm2=4.188

assign ( resid 18 and name HG3
	 )
       ( resid 18 and name HA
	 ) 3.1 0.6 0.6 volume=280226491.500 peak=1205 ppm1=2.360 ppm2=4.186

assign ( resid 18 and name HG3
	 )
       ( resid 18 and name H
	 ) 3.3 0.7 0.7 volume=204094240.000 peak=1206 ppm1=2.353 ppm2=7.603

assign ( resid 18 and name HG2
	 )
       ( resid 19 and name H
	 ) 4.2 0.8 0.8 volume=46160625.500 peak=1207 ppm1=2.292 ppm2=9.158

assign ( resid 47 and name HG2
	 )
       ( resid 48 and name H
	 ) 3.6 0.7 0.7 volume=127884948.000 peak=1208 ppm1=2.300 ppm2=8.895

assign ( resid 18 and name HG3
	 )
       ( resid 19 and name H
	 ) 4.3 0.9 0.9 volume=43543914.125 peak=1209 ppm1=2.361 ppm2=9.161

assign ( resid 47 and name HG3
	 )
       ( resid 48 and name H
	 ) 3.7 0.7 0.7 volume=106314809.125 peak=1210 ppm1=2.385 ppm2=8.898

assign ( resid 47 and name HG3
	 )
       ( resid 47 and name HA
	 or resid 52 and name HA
	 ) 3.3 0.7 0.7 volume=201334871.000 peak=1211 ppm1=2.389 ppm2=4.323

assign ( resid 47 and name HG2
	 )
       ( resid 47 and name HA
	 or resid 52 and name HA
	 ) 3.3 0.7 0.7 volume=198058362.250 peak=1212 ppm1=2.305 ppm2=4.323

assign ( resid 51 and name HB2
	 )
       ( resid 47 and name HG3
	 ) 4.0 0.8 0.8 volume=64382569.750 peak=1213 ppm1=2.985 ppm2=2.371

assign ( resid 51 and name HB2
	 )
       ( resid 47 and name HG2
	 ) 4.0 0.8 0.8 volume=51799255.188 peak=1214 ppm1=2.990 ppm2=2.317

assign ( resid 47 and name HG3
	 )
       ( resid 44 and name HB2
	 or resid 51 and name HB3
	 ) 3.6 0.7 0.7 volume=116138574.000 peak=1215 ppm1=2.388 ppm2=2.808

assign ( resid 47 and name HG2
	 )
       ( resid 44 and name HB2
	 ) 3.6 0.7 0.7 volume=115392303.750 peak=1216 ppm1=2.304 ppm2=2.808

assign ( resid 18 and name HG2
	 )
       ( resid 21 and name HB#
	 ) 3.8 0.8 0.8 volume=47571118.188 peak=1217 ppm1=2.286 ppm2=1.590

assign ( resid 18 and name HG3
	 )
       ( resid 21 and name HB#
	 ) 4.1 0.8 0.8 volume=58877443.000 peak=1218 ppm1=2.361 ppm2=1.580

assign ( resid 18 and name HG3
	 )
       ( resid 15 and name HG2#
	 ) 4.4 0.9 0.9 volume=35811703.406 peak=1219 ppm1=2.367 ppm2=1.432

assign ( resid 18 and name HG2
	 )
       ( resid 15 and name HG2#
	 ) 3.8 0.8 0.8 volume=38449442.500 peak=1220 ppm1=2.292 ppm2=1.427

assign ( resid 18 and name HG2
	 )
       ( resid 17 and name HG2#
	 ) 3.6 0.7 0.7 volume=56857927.000 peak=1221 ppm1=2.286 ppm2=1.306

assign ( resid 18 and name HG3
	 )
       ( resid 17 and name HG2#
	 ) 4.1 0.8 0.8 volume=54018212.500 peak=1222 ppm1=2.360 ppm2=1.296

assign ( resid 18 and name HG3
	 )
       ( resid 14 and name HD1#
	 ) 3.5 0.7 0.7 volume=135833978.250 peak=1223 ppm1=2.361 ppm2=0.872

assign ( resid 18 and name HG2
	 )
       ( resid 14 and name HD1#
	 ) 3.5 0.7 0.7 volume=135218535.250 peak=1224 ppm1=2.290 ppm2=0.872

assign ( resid 47 and name HG3
	 )
       ( resid 52 and name HD1#
	 ) 3.5 0.7 0.7 volume=154502791.000 peak=1225 ppm1=2.392 ppm2=1.005

assign ( resid 47 and name HG2
	 )
       ( resid 52 and name HD1#
	 ) 3.6 0.7 0.7 volume=125998702.250 peak=1226 ppm1=2.304 ppm2=1.006

assign ( resid 41 and name HG3
	 )
       ( resid 41 and name H
	 ) 3.3 0.7 0.7 volume=204311545.000 peak=1227 ppm1=2.263 ppm2=8.364

assign ( resid 61 and name HG3
	 )
       ( resid 34 and name HG2#
	 ) 3.3 0.7 0.7 volume=193995224.500 peak=1228 ppm1=2.181 ppm2=1.006

assign ( resid 58 and name HG2#
	 )
       ( resid 61 and name HG3
	 ) 3.4 0.7 0.7 volume=61389753.125 peak=1230 ppm1=1.246 ppm2=2.187

assign ( resid 61 and name HG2
	 )
       ( resid 61 and name HG3
	 ) 2.1 0.4 0.4 volume=2978340752.000 peak=1231 ppm1=2.426 ppm2=2.183

assign ( resid 61 and name HG2
	 )
       ( resid 58 and name HB
	 or resid 61 and name HA
	 ) 3.1 0.6 0.6 volume=329135742.500 peak=1233 ppm1=2.427 ppm2=4.170

assign ( resid 61 and name HG3
	 )
       ( resid 58 and name HB
	 or resid 61 and name HA
	 ) 3.0 0.6 0.6 volume=374348314.000 peak=1234 ppm1=2.180 ppm2=4.170

assign ( resid 61 and name HG3
	 )
       ( resid 54 and name HE#
	 or resid 60 and name H
	 or resid 65 and name HD2
	 ) 3.8 0.8 0.8 volume=91033255.125 peak=1235 ppm1=2.181 ppm2=7.189

assign ( resid 61 and name HG2
	 )
       ( resid 61 and name H
	 ) 3.1 0.6 0.6 volume=309912979.000 peak=1236 ppm1=2.426 ppm2=7.671

assign ( resid 61 and name HG3
	 )
       ( resid 61 and name H
	 ) 3.1 0.6 0.6 volume=291341866.500 peak=1237 ppm1=2.181 ppm2=7.671

assign ( resid 61 and name HG2
	 )
       ( resid 62 and name H
	 ) 4.0 0.8 0.8 volume=69820245.500 peak=1238 ppm1=2.427 ppm2=8.494

assign ( resid 61 and name HG3
	 )
       ( resid 62 and name H
	 ) 3.8 0.8 0.8 volume=93814599.250 peak=1239 ppm1=2.180 ppm2=8.496

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name H
	 ) 3.3 0.7 0.7 volume=201057934.000 peak=1240 ppm1=3.336 ppm2=8.203

assign ( resid 37 and name HB3
	 )
       ( resid 39 and name H
	 ) 4.3 0.9 0.9 volume=40985888.188 peak=1241 ppm1=3.334 ppm2=8.038

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name HD#
	 ) 3.4 0.7 0.7 volume=160924901.000 peak=1242 ppm1=3.336 ppm2=7.031

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HB3
	 ) 3.3 0.7 0.7 volume=73150151.375 peak=1243 ppm1=4.752 ppm2=3.339

assign ( resid 32 and name HA
	 )
       ( resid 37 and name HB3
	 ) 3.6 0.7 0.7 volume=123879124.000 peak=1244 ppm1=3.857 ppm2=3.341

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name HA
	 ) 3.4 0.7 0.7 volume=61710181.062 peak=1245 ppm1=2.925 ppm2=4.757

assign ( resid 37 and name HB2
	 )
       ( resid 32 and name HA
	 ) 3.5 0.7 0.7 volume=146294516.750 peak=1246 ppm1=2.924 ppm2=3.855

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name HB3
	 ) 2.6 0.5 0.5 volume=955440210.000 peak=1248 ppm1=2.926 ppm2=3.337

assign ( resid 32 and name HB#
	 )
       ( resid 37 and name HB3
	 ) 3.1 0.6 0.6 volume=277748644.000 peak=1249 ppm1=1.522 ppm2=3.337

assign ( resid 37 and name HB2
	 )
       ( resid 32 and name HB#
	 ) 2.9 0.6 0.6 volume=352252428.500 peak=1250 ppm1=2.926 ppm2=1.525

assign ( resid 37 and name HB3
	 )
       ( resid 41 and name HB3
	 ) 4.2 0.8 0.8 volume=51651708.125 peak=1251 ppm1=3.339 ppm2=2.023

assign ( resid 37 and name HB2
	 )
       ( resid 41 and name HB3
	 ) 4.5 0.9 0.9 volume=31511018.062 peak=1252 ppm1=2.916 ppm2=2.029

assign ( resid 37 and name HD#
	 )
       ( resid 37 and name HB2
	 ) 3.4 0.7 0.7 volume=183555571.000 peak=1253 ppm1=7.028 ppm2=2.929

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name H
	 ) 3.2 0.6 0.6 volume=265476898.500 peak=1254 ppm1=2.926 ppm2=8.202

assign ( resid 73 and name HA
	 )
       ( resid 73 and name HB2
	 ) 2.8 0.6 0.6 volume=150007338.000 peak=1255 ppm1=4.751 ppm2=2.716

assign ( resid 73 and name HB2
	 )
       ( resid 73 and name H
	 ) 3.0 0.6 0.6 volume=389813535.000 peak=1256 ppm1=2.725 ppm2=8.550

assign ( resid 73 and name HB2
	 )
       ( resid 73 and name HD22
	 ) 4.0 0.8 0.8 volume=68712877.750 peak=1257 ppm1=2.724 ppm2=7.669

assign ( resid 73 and name HB2
	 )
       ( resid 72 and name HD2#
	 or resid 74 and name HD2#
	 ) 4.2 0.8 0.8 volume=50420836.375 peak=1258 ppm1=2.711 ppm2=0.838

assign ( resid 95 and name HA
	 )
       ( resid 95 and name H
	 ) 2.9 0.6 0.6 volume=411525115.000 peak=1259 ppm1=4.186 ppm2=7.474

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HE21
	 ) 3.9 0.8 0.8 volume=70757204.625 peak=1260 ppm1=4.187 ppm2=6.622

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HE22
	 ) 4.2 0.8 0.8 volume=46376172.750 peak=1261 ppm1=4.186 ppm2=6.409

assign ( resid 95 and name HA
	 )
       ( resid 94 and name HB3
	 or resid 94 and name HB2
	 or resid 95 and name HG3
	 or resid 96 and name HB
	 ) 2.7 0.5 0.5 volume=637128104.000 peak=1262 ppm1=4.186 ppm2=1.943

assign ( resid 22 and name HA
	 )
       ( resid 24 and name HB2
	 or resid 25 and name HB3
	 ) 3.1 0.6 0.6 volume=305337076.500 peak=1263 ppm1=3.711 ppm2=1.910

assign ( resid 22 and name HA
	 )
       ( resid 22 and name HB
	 ) 2.8 0.6 0.6 volume=610714724.000 peak=1264 ppm1=3.711 ppm2=2.021

assign ( resid 22 and name HG1#
	 )
       ( resid 22 and name HA
	 ) 2.3 0.5 0.5 volume=1630773556.000 peak=1265 ppm1=0.865 ppm2=3.715

assign ( resid 85 and name HB2
	 )
       ( resid 49 and name HE#
	 ) 4.3 0.9 0.9 volume=42484780.250 peak=1268 ppm1=2.036 ppm2=7.021

assign ( resid 22 and name HG1#
	 )
       ( resid 22 and name HB
	 ) 2.5 0.5 0.5 volume=953520018.000 peak=1273 ppm1=0.865 ppm2=2.033

assign ( resid 21 and name HA
	 )
       ( resid 21 and name H
	 ) 2.8 0.6 0.6 volume=507456505.000 peak=1274 ppm1=4.115 ppm2=7.701

assign ( resid 21 and name HA
	 )
       ( resid 22 and name H
	 ) 3.4 0.7 0.7 volume=175445971.250 peak=1275 ppm1=4.117 ppm2=8.539

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HD2
	 ) 3.7 0.7 0.7 volume=100860058.500 peak=1276 ppm1=4.118 ppm2=3.024

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HB2
	 ) 3.3 0.7 0.7 volume=217517253.500 peak=1277 ppm1=4.119 ppm2=1.912

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HB3
	 or resid 24 and name HB3
	 ) 3.4 0.7 0.7 volume=183306861.000 peak=1278 ppm1=4.116 ppm2=1.810

assign ( resid 21 and name HB#
	 )
       ( resid 21 and name HA
	 ) 2.3 0.5 0.5 volume=1424913448.000 peak=1279 ppm1=1.581 ppm2=4.133

assign ( resid 21 and name HB#
	 )
       ( resid 17 and name HA
	 ) 4.1 0.8 0.8 volume=54385586.625 peak=1280 ppm1=1.582 ppm2=3.967

assign ( resid 21 and name HB#
	 )
       ( resid 24 and name HD2
	 ) 4.2 0.8 0.8 volume=45426954.812 peak=1281 ppm1=1.581 ppm2=3.027

assign ( resid 21 and name HB#
	 )
       ( resid 18 and name HB2
	 ) 3.8 0.8 0.8 volume=90121818.625 peak=1282 ppm1=1.581 ppm2=2.373

assign ( resid 21 and name HB#
	 )
       ( resid 18 and name HB3
	 ) 3.6 0.7 0.7 volume=117240227.000 peak=1284 ppm1=1.581 ppm2=2.086

assign ( resid 59 and name HB#
	 )
       ( resid 59 and name H
	 ) 2.6 0.5 0.5 volume=897831952.000 peak=1286 ppm1=1.410 ppm2=9.072

assign ( resid 88 and name HG1#
	 )
       ( resid 79 and name HG2#
	 ) 3.6 0.7 0.7 volume=115323529.812 peak=1287 ppm1=0.897 ppm2=-0.154

assign ( resid 66 and name HD2#
	 )
       ( resid 79 and name HG2#
	 ) 4.0 0.8 0.8 volume=64996257.125 peak=1290 ppm1=0.734 ppm2=-0.142

assign ( resid 62 and name HG
	 )
       ( resid 79 and name HG2#
	 ) 4.0 0.8 0.8 volume=68500688.000 peak=1291 ppm1=1.285 ppm2=-0.144

assign ( resid 78 and name HD1#
	 )
       ( resid 63 and name HA
	 ) 3.2 0.6 0.6 volume=260001856.500 peak=1293 ppm1=0.817 ppm2=3.642

assign ( resid 78 and name HD1#
	 )
       ( resid 79 and name H
	 ) 3.6 0.7 0.7 volume=129795678.375 peak=1294 ppm1=0.817 ppm2=7.649

assign ( resid 78 and name HD1#
	 )
       ( resid 78 and name H
	 ) 3.9 0.8 0.8 volume=76916324.312 peak=1295 ppm1=0.819 ppm2=7.358

assign ( resid 78 and name HD1#
	 )
       ( resid 91 and name HD2
	 ) 4.2 0.8 0.8 volume=51427373.000 peak=1296 ppm1=0.816 ppm2=6.190

assign ( resid 78 and name HD1#
	 )
       ( resid 66 and name H
	 ) 4.5 0.9 0.9 volume=33984896.250 peak=1297 ppm1=0.817 ppm2=8.788

assign ( resid 54 and name HB3
	 )
       ( resid 79 and name HG2#
	 ) 4.6 0.9 0.9 volume=29235376.250 peak=1301 ppm1=2.671 ppm2=-0.145

assign ( resid 54 and name HB2
	 )
       ( resid 54 and name HB3
	 ) 2.7 0.5 0.5 volume=594856166.000 peak=1303 ppm1=2.836 ppm2=2.674

assign ( resid 54 and name HB2
	 )
       ( resid 59 and name HA
	 ) 4.5 0.9 0.9 volume=31618150.688 peak=1306 ppm1=2.829 ppm2=3.852

assign ( resid 59 and name HA
	 )
       ( resid 54 and name HB3
	 ) 4.2 0.8 0.8 volume=35424108.625 peak=1307 ppm1=3.858 ppm2=2.675

assign ( resid 54 and name HB3
	 )
       ( resid 54 and name HA
	 ) 3.1 0.6 0.6 volume=143913424.250 peak=1308 ppm1=2.668 ppm2=4.093

assign ( resid 54 and name HA
	 )
       ( resid 54 and name HB2
	 ) 3.4 0.7 0.7 volume=120100921.750 peak=1309 ppm1=4.085 ppm2=2.836

assign ( resid 54 and name HB2
	 )
       ( resid 80 and name HE#
	 ) 4.4 0.9 0.9 volume=35027183.938 peak=1313 ppm1=2.835 ppm2=7.265

assign ( resid 54 and name HB3
	 )
       ( resid 80 and name HE#
	 ) 4.3 0.9 0.9 volume=42202422.875 peak=1314 ppm1=2.666 ppm2=7.245

assign ( resid 54 and name HB3
	 )
       ( resid 54 and name H
	 ) 3.2 0.6 0.6 volume=267248315.000 peak=1315 ppm1=2.668 ppm2=8.155

assign ( resid 62 and name HB2
	 )
       ( resid 79 and name HG2#
	 ) 4.3 0.9 0.9 volume=41182641.938 peak=1318 ppm1=1.803 ppm2=-0.143

assign ( resid 79 and name HG2#
	 )
       ( resid 62 and name HB3
	 ) 4.7 0.9 0.9 volume=25768490.125 peak=1319 ppm1=-0.147 ppm2=1.534

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name HD2#
	 ) 2.9 0.6 0.6 volume=264520150.500 peak=1320 ppm1=1.800 ppm2=0.242

assign ( resid 62 and name HB3
	 )
       ( resid 62 and name HD2#
	 ) 2.9 0.6 0.6 volume=237590562.000 peak=1321 ppm1=1.486 ppm2=0.242

assign ( resid 62 and name HB2
	 )
       ( resid 54 and name HE#
	 ) 3.8 0.8 0.8 volume=93627703.000 peak=1324 ppm1=1.802 ppm2=7.222

assign ( resid 78 and name HB2
	 )
       ( resid 79 and name HD1#
	 ) 4.6 0.9 0.9 volume=29109830.625 peak=1326 ppm1=2.114 ppm2=0.012

assign ( resid 78 and name HB3
	 )
       ( resid 79 and name HD1#
	 ) 4.3 0.9 0.9 volume=39506679.562 peak=1327 ppm1=1.757 ppm2=0.010

assign ( resid 78 and name HB2
	 )
       ( resid 78 and name H
	 ) 3.2 0.6 0.6 volume=253907372.000 peak=1330 ppm1=2.123 ppm2=7.360

assign ( resid 78 and name HB2
	 )
       ( resid 79 and name H
	 ) 3.6 0.7 0.7 volume=131288647.250 peak=1331 ppm1=2.125 ppm2=7.656

assign ( resid 78 and name HB3
	 )
       ( resid 78 and name H
	 ) 3.1 0.6 0.6 volume=292819100.000 peak=1332 ppm1=1.758 ppm2=7.358

assign ( resid 59 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 3.4 0.7 0.7 volume=168533781.750 peak=1333 ppm1=3.861 ppm2=-0.142

assign ( resid 49 and name HZ
	 )
       ( resid 79 and name HG2#
	 ) 4.1 0.8 0.8 volume=41469028.188 peak=1334 ppm1=6.588 ppm2=-0.145

assign ( resid 88 and name HG2#
	 )
       ( resid 49 and name HZ
	 ) 3.0 0.6 0.6 volume=330315172.000 peak=1335 ppm1=1.324 ppm2=6.590

assign ( resid 49 and name HZ
	 )
       ( resid 27 and name HG2#
	 ) 3.0 0.6 0.6 volume=287573883.000 peak=1336 ppm1=6.586 ppm2=1.156

assign ( resid 49 and name HZ
	 )
       ( resid 88 and name HG1#
	 ) 3.5 0.7 0.7 volume=96700800.875 peak=1337 ppm1=6.587 ppm2=0.903

assign ( resid 49 and name HZ
	 )
       ( resid 66 and name HD2#
	 ) 4.1 0.8 0.8 volume=58415696.250 peak=1338 ppm1=6.589 ppm2=0.779

assign ( resid 49 and name HZ
	 )
       ( resid 62 and name HD2#
	 ) 3.8 0.8 0.8 volume=83316508.375 peak=1339 ppm1=6.587 ppm2=0.242

assign ( resid 49 and name HZ
	 )
       ( resid 88 and name HB
	 ) 3.7 0.7 0.7 volume=106917213.000 peak=1340 ppm1=6.587 ppm2=2.324

assign ( resid 85 and name HB2
	 )
       ( resid 49 and name HZ
	 ) 3.9 0.8 0.8 volume=76158577.250 peak=1341 ppm1=2.043 ppm2=6.588

assign ( resid 31 and name HB#
	 )
       ( resid 49 and name HZ
	 ) 4.0 0.8 0.8 volume=43580336.438 peak=1342 ppm1=1.681 ppm2=6.588

assign ( resid 85 and name HA
	 )
       ( resid 49 and name HZ
	 ) 2.9 0.6 0.6 volume=312267594.500 peak=1343 ppm1=4.091 ppm2=6.590

assign ( resid 49 and name HZ
	 )
       ( resid 88 and name H
	 ) 4.2 0.8 0.8 volume=50914367.500 peak=1344 ppm1=6.588 ppm2=8.556

assign ( resid 54 and name HZ
	 )
       ( resid 35 and name HD1#
	 ) 4.0 0.8 0.8 volume=63118521.250 peak=1345 ppm1=7.352 ppm2=0.098

assign ( resid 80 and name HZ
	 )
       ( resid 79 and name HD1#
	 ) 4.2 0.8 0.8 volume=47667107.500 peak=1346 ppm1=7.028 ppm2=0.013

assign ( resid 49 and name HE#
	 )
       ( resid 79 and name HG2#
	 ) 3.4 0.7 0.7 volume=61892325.000 peak=1347 ppm1=7.016 ppm2=-0.146

assign ( resid 79 and name HG2#
	 )
       ( resid 49 and name HD#
	 ) 3.3 0.7 0.7 volume=112862136.750 peak=1351 ppm1=-0.149 ppm2=6.917

assign ( resid 37 and name HE#
	 )
       ( resid 34 and name HB
	 or resid 41 and name HG3
	 ) 4.4 0.9 0.9 volume=38243290.688 peak=1353 ppm1=6.846 ppm2=2.244

assign ( resid 86 and name HD2
	 )
       ( resid 83 and name HG3
	 ) 4.1 0.8 0.8 volume=53848812.375 peak=1354 ppm1=6.849 ppm2=2.043

assign ( resid 86 and name HD2
	 )
       ( resid 87 and name HB#
	 ) 3.7 0.7 0.7 volume=101826141.125 peak=1355 ppm1=6.850 ppm2=1.760

assign ( resid 37 and name HE#
	 )
       ( resid 31 and name HB#
	 ) 3.9 0.8 0.8 volume=77927956.875 peak=1356 ppm1=6.837 ppm2=1.669

assign ( resid 37 and name HE#
	 )
       ( resid 35 and name HB3
	 ) 3.6 0.7 0.7 volume=119257242.000 peak=1359 ppm1=6.838 ppm2=1.157

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name HE#
	 ) 4.7 0.9 0.9 volume=20714684.523 peak=1360 ppm1=3.337 ppm2=6.844

assign ( resid 82 and name HD2
	 )
       ( resid 88 and name HG1#
	 ) 4.6 0.9 0.9 volume=28480709.312 peak=1361 ppm1=6.692 ppm2=0.909

assign ( resid 65 and name HD2
	 )
       ( resid 64 and name HB2
	 ) 4.5 0.9 0.9 volume=30203735.438 peak=1363 ppm1=7.178 ppm2=2.769

assign ( resid 82 and name HD2
	 )
       ( resid 81 and name H
	 ) 4.5 0.9 0.9 volume=33839431.812 peak=1364 ppm1=6.694 ppm2=8.031

assign ( resid 82 and name HD2
	 )
       ( resid 91 and name HD2
	 ) 4.4 0.9 0.9 volume=36318711.375 peak=1365 ppm1=6.696 ppm2=6.187

assign ( resid 80 and name HZ
	 )
       ( resid 80 and name HE#
	 ) 2.4 0.5 0.5 volume=1087017368.000 peak=1367 ppm1=7.026 ppm2=7.266

assign ( resid 54 and name HZ
	 )
       ( resid 34 and name HB
	 ) 3.8 0.8 0.8 volume=82403953.125 peak=1368 ppm1=7.351 ppm2=2.250

assign ( resid 54 and name HZ
	 )
       ( resid 31 and name HB#
	 ) 3.2 0.6 0.6 volume=261076263.500 peak=1369 ppm1=7.351 ppm2=1.684

assign ( resid 54 and name HZ
	 )
       ( resid 34 and name HG2#
	 ) 3.9 0.8 0.8 volume=71591696.625 peak=1371 ppm1=7.351 ppm2=1.009

assign ( resid 54 and name HZ
	 )
       ( resid 35 and name HD2#
	 ) 3.9 0.8 0.8 volume=76830756.125 peak=1373 ppm1=7.351 ppm2=0.628

assign ( resid 54 and name HZ
	 )
       ( resid 62 and name HB2
	 ) 4.7 0.9 0.9 volume=24785564.719 peak=1375 ppm1=7.344 ppm2=1.819

assign ( resid 31 and name HA
	 )
       ( resid 54 and name HZ
	 ) 2.9 0.6 0.6 volume=247730960.500 peak=1376 ppm1=4.186 ppm2=7.355

assign ( resid 54 and name HZ
	 )
       ( resid 54 and name HE#
	 ) 2.9 0.6 0.6 volume=491459608.500 peak=1377 ppm1=7.351 ppm2=7.221

assign ( resid 35 and name HB3
	 )
       ( resid 37 and name HD#
	 ) 3.5 0.7 0.7 volume=134558088.000 peak=1378 ppm1=1.166 ppm2=7.030

assign ( resid 49 and name HE#
	 )
       ( resid 85 and name HA
	 ) 3.4 0.7 0.7 volume=96665267.750 peak=1379 ppm1=7.017 ppm2=4.092

assign ( resid 49 and name HE#
	 )
       ( resid 88 and name HG2#
	 ) 2.9 0.6 0.6 volume=476148518.000 peak=1382 ppm1=7.017 ppm2=1.325

assign ( resid 49 and name HE#
	 )
       ( resid 62 and name HD2#
	 ) 3.2 0.6 0.6 volume=146709980.250 peak=1383 ppm1=7.015 ppm2=0.243

assign ( resid 49 and name HE#
	 )
       ( resid 88 and name H
	 ) 4.2 0.8 0.8 volume=45573208.688 peak=1385 ppm1=7.018 ppm2=8.556

assign ( resid 80 and name HB3
	 )
       ( resid 80 and name HD#
	 ) 3.3 0.7 0.7 volume=123507970.625 peak=1387 ppm1=3.237 ppm2=7.119

assign ( resid 80 and name HD#
	 )
       ( resid 80 and name HB2
	 ) 3.3 0.7 0.7 volume=132298971.750 peak=1388 ppm1=7.115 ppm2=2.893

assign ( resid 54 and name HE#
	 )
       ( resid 54 and name HB2
	 ) 4.1 0.8 0.8 volume=53741641.062 peak=1389 ppm1=7.226 ppm2=2.839

assign ( resid 54 and name HE#
	 )
       ( resid 49 and name HB2
	 or resid 54 and name HB3
	 ) 3.9 0.8 0.8 volume=80454190.375 peak=1390 ppm1=7.219 ppm2=2.675

assign ( resid 34 and name HB
	 )
       ( resid 54 and name HE#
	 ) 3.6 0.7 0.7 volume=66357401.125 peak=1391 ppm1=2.249 ppm2=7.221

assign ( resid 31 and name HB#
	 )
       ( resid 54 and name HE#
	 ) 3.1 0.6 0.6 volume=115615079.250 peak=1393 ppm1=1.680 ppm2=7.221

assign ( resid 80 and name HE#
	 )
       ( resid 59 and name HB#
	 ) 3.4 0.7 0.7 volume=163970100.250 peak=1394 ppm1=7.257 ppm2=1.414

assign ( resid 80 and name HD#
	 )
       ( resid 59 and name HB#
	 ) 3.6 0.7 0.7 volume=120730742.750 peak=1395 ppm1=7.115 ppm2=1.413

assign ( resid 80 and name HD#
	 )
       ( resid 77 and name HG2#
	 ) 3.4 0.7 0.7 volume=102610474.875 peak=1398 ppm1=7.115 ppm2=1.138

assign ( resid 34 and name HG2#
	 )
       ( resid 54 and name HE#
	 ) 3.0 0.6 0.6 volume=178173462.250 peak=1399 ppm1=1.002 ppm2=7.219

assign ( resid 54 and name HE#
	 )
       ( resid 34 and name HG1#
	 ) 3.7 0.7 0.7 volume=108449637.125 peak=1400 ppm1=7.217 ppm2=0.872

assign ( resid 37 and name HD#
	 )
       ( resid 43 and name HD2#
	 ) 3.3 0.7 0.7 volume=209063231.750 peak=1401 ppm1=7.027 ppm2=0.877

assign ( resid 54 and name HE#
	 )
       ( resid 52 and name HD2#
	 ) 3.8 0.8 0.8 volume=92440506.375 peak=1402 ppm1=7.219 ppm2=0.762

assign ( resid 54 and name HE#
	 )
       ( resid 35 and name HD2#
	 ) 3.1 0.6 0.6 volume=125080920.500 peak=1403 ppm1=7.219 ppm2=0.632

assign ( resid 54 and name HE#
	 )
       ( resid 62 and name HD2#
	 ) 3.3 0.7 0.7 volume=89815068.625 peak=1404 ppm1=7.217 ppm2=0.241

assign ( resid 80 and name HD#
	 )
       ( resid 79 and name HG12
	 ) 4.8 1.0 1.0 volume=21789455.531 peak=1405 ppm1=7.115 ppm2=0.116

assign ( resid 80 and name HD#
	 )
       ( resid 79 and name HD1#
	 ) 4.3 0.9 0.9 volume=44051999.000 peak=1408 ppm1=7.116 ppm2=0.009

assign ( resid 80 and name HE#
	 )
       ( resid 79 and name HG2#
	 ) 4.6 0.9 0.9 volume=26671339.594 peak=1409 ppm1=7.256 ppm2=-0.142

assign ( resid 80 and name HD#
	 )
       ( resid 79 and name HG2#
	 ) 4.6 0.9 0.9 volume=27065206.266 peak=1410 ppm1=7.116 ppm2=-0.146

assign ( resid 80 and name HE#
	 )
       ( resid 80 and name HA
	 ) 4.0 0.8 0.8 volume=67904796.812 peak=1411 ppm1=7.262 ppm2=4.500

assign ( resid 54 and name HE#
	 )
       ( resid 49 and name HA
	 ) 3.7 0.7 0.7 volume=41582719.156 peak=1415 ppm1=7.217 ppm2=4.306

assign ( resid 37 and name HD#
	 )
       ( resid 33 and name HA
	 ) 4.7 0.9 0.9 volume=25449486.438 peak=1416 ppm1=7.019 ppm2=4.316

assign ( resid 80 and name HE#
	 )
       ( resid 49 and name HA
	 ) 4.3 0.9 0.9 volume=42456638.000 peak=1417 ppm1=7.262 ppm2=4.273

assign ( resid 80 and name HD#
	 )
       ( resid 48 and name HB3
	 ) 4.8 1.0 1.0 volume=21360506.352 peak=1418 ppm1=7.115 ppm2=4.053

assign ( resid 37 and name HD#
	 )
       ( resid 37 and name H
	 ) 3.6 0.7 0.7 volume=113253097.500 peak=1420 ppm1=7.028 ppm2=8.201

assign ( resid 54 and name HE#
	 )
       ( resid 54 and name H
	 ) 3.9 0.8 0.8 volume=69977612.625 peak=1421 ppm1=7.216 ppm2=8.161

assign ( resid 54 and name HD#
	 )
       ( resid 59 and name H
	 ) 4.3 0.9 0.9 volume=44324825.812 peak=1422 ppm1=7.400 ppm2=9.072

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name HZ
	 ) 3.9 0.8 0.8 volume=79218388.750 peak=1424 ppm1=7.402 ppm2=6.911

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name HB2
	 ) 3.3 0.7 0.7 volume=132262451.250 peak=1428 ppm1=7.401 ppm2=2.839

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name HB3
	 ) 3.3 0.7 0.7 volume=205356255.750 peak=1429 ppm1=7.400 ppm2=2.677

assign ( resid 54 and name HD#
	 )
       ( resid 31 and name HB#
	 ) 4.0 0.8 0.8 volume=62083548.875 peak=1432 ppm1=7.401 ppm2=1.684

assign ( resid 54 and name HD#
	 )
       ( resid 34 and name HG1#
	 ) 4.0 0.8 0.8 volume=64671997.812 peak=1436 ppm1=7.402 ppm2=0.871

assign ( resid 54 and name HD#
	 )
       ( resid 35 and name HD2#
	 ) 3.1 0.6 0.6 volume=93500524.125 peak=1438 ppm1=7.400 ppm2=0.629

assign ( resid 54 and name HD#
	 )
       ( resid 62 and name HD2#
	 ) 4.1 0.8 0.8 volume=59110887.188 peak=1439 ppm1=7.401 ppm2=0.241

assign ( resid 54 and name HE#
	 )
       ( resid 54 and name HA
	 or resid 58 and name HA
	 or resid 58 and name HB
	 ) 3.6 0.7 0.7 volume=121371921.250 peak=1441 ppm1=7.215 ppm2=4.147

assign ( resid 59 and name HA
	 )
       ( resid 54 and name HE#
	 ) 3.3 0.7 0.7 volume=51403510.562 peak=1442 ppm1=3.861 ppm2=7.209

assign ( resid 54 and name HE#
	 )
       ( resid 62 and name H
	 ) 4.5 0.9 0.9 volume=30025522.844 peak=1443 ppm1=7.222 ppm2=8.490

assign ( resid 54 and name HE#
	 )
       ( resid 54 and name HZ
	 ) 4.1 0.8 0.8 volume=53579092.625 peak=1444 ppm1=7.215 ppm2=6.909

assign ( resid 54 and name HD#
	 )
       ( resid 54 and name HE#
	 ) 2.4 0.5 0.5 volume=1540041538.000 peak=1445 ppm1=7.401 ppm2=7.228

assign ( resid 80 and name HD#
	 )
       ( resid 80 and name HE#
	 ) 2.0 0.3 0.4 volume=4048022096.000 peak=1446 ppm1=7.115 ppm2=7.262

assign ( resid 49 and name HD#
	 )
       ( resid 52 and name HB2
	 ) 4.3 0.9 0.9 volume=43014923.875 peak=1448 ppm1=6.914 ppm2=2.336

assign ( resid 49 and name HD#
	 )
       ( resid 52 and name HB3
	 ) 4.4 0.9 0.9 volume=34943143.250 peak=1449 ppm1=6.913 ppm2=1.820

assign ( resid 49 and name HD#
	 )
       ( resid 52 and name HD2#
	 ) 3.6 0.7 0.7 volume=115715561.500 peak=1452 ppm1=6.915 ppm2=0.763

assign ( resid 62 and name HD2#
	 )
       ( resid 49 and name HD#
	 ) 3.7 0.7 0.7 volume=45506288.562 peak=1453 ppm1=0.238 ppm2=6.927

assign ( resid 49 and name HA
	 )
       ( resid 49 and name HD#
	 ) 3.0 0.6 0.6 volume=204220831.000 peak=1455 ppm1=4.292 ppm2=6.915

assign ( resid 49 and name HD#
	 )
       ( resid 54 and name HD#
	 ) 3.7 0.7 0.7 volume=99772727.000 peak=1457 ppm1=6.914 ppm2=7.388

assign ( resid 49 and name HD#
	 )
       ( resid 54 and name HE#
	 ) 3.8 0.8 0.8 volume=84091556.125 peak=1458 ppm1=6.916 ppm2=7.232

assign ( resid 49 and name HD#
	 )
       ( resid 49 and name H
	 ) 3.7 0.7 0.7 volume=110108023.750 peak=1459 ppm1=6.914 ppm2=8.210

assign ( resid 91 and name HE1
	 )
       ( resid 95 and name HE21
	 ) 4.1 0.8 0.8 volume=54683288.625 peak=1460 ppm1=7.702 ppm2=6.625

assign ( resid 91 and name HE1
	 )
       ( resid 95 and name HE22
	 ) 4.1 0.8 0.8 volume=55011687.688 peak=1461 ppm1=7.704 ppm2=6.411

assign ( resid 58 and name HA
	 )
       ( resid 61 and name H
	 ) 3.1 0.6 0.6 volume=307444867.000 peak=1462 ppm1=4.119 ppm2=7.671

assign ( resid 64 and name HA
	 )
       ( resid 64 and name H
	 ) 3.1 0.6 0.6 volume=321445453.500 peak=1463 ppm1=4.391 ppm2=8.812

assign ( resid 64 and name HA
	 )
       ( resid 67 and name HE22
	 ) 3.6 0.7 0.7 volume=122455392.750 peak=1464 ppm1=4.392 ppm2=6.892

assign ( resid 64 and name HA
	 )
       ( resid 67 and name HE21
	 ) 3.3 0.7 0.7 volume=194468273.750 peak=1465 ppm1=4.391 ppm2=7.431

assign ( resid 64 and name HA
	 )
       ( resid 68 and name H
	 ) 4.1 0.8 0.8 volume=59407010.750 peak=1466 ppm1=4.391 ppm2=8.281

assign ( resid 64 and name HA
	 )
       ( resid 63 and name H
	 ) 4.6 0.9 0.9 volume=29468399.438 peak=1467 ppm1=4.395 ppm2=7.652

assign ( resid 64 and name HA
	 )
       ( resid 63 and name HE
	 ) 4.1 0.8 0.8 volume=59498806.750 peak=1468 ppm1=4.389 ppm2=7.054

assign ( resid 64 and name HA
	 )
       ( resid 61 and name HA
	 ) 4.3 0.9 0.9 volume=44900851.969 peak=1469 ppm1=4.393 ppm2=4.168

assign ( resid 64 and name HA
	 )
       ( resid 64 and name HB3
	 ) 3.0 0.6 0.6 volume=370276126.000 peak=1470 ppm1=4.388 ppm2=2.974

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HA
	 ) 2.9 0.6 0.6 volume=420584896.000 peak=1471 ppm1=2.760 ppm2=4.397

assign ( resid 64 and name HA
	 )
       ( resid 67 and name HB3
	 ) 3.5 0.7 0.7 volume=143141555.750 peak=1472 ppm1=4.391 ppm2=2.283

assign ( resid 28 and name HA
	 )
       ( resid 29 and name H
	 ) 3.7 0.7 0.7 volume=99888023.750 peak=1473 ppm1=3.991 ppm2=9.298

assign ( resid 28 and name HA
	 )
       ( resid 31 and name H
	 ) 3.6 0.7 0.7 volume=129629610.500 peak=1474 ppm1=3.989 ppm2=8.904

assign ( resid 28 and name HA
	 )
       ( resid 32 and name H
	 ) 3.9 0.8 0.8 volume=73302184.375 peak=1475 ppm1=3.992 ppm2=8.754

assign ( resid 28 and name HA
	 )
       ( resid 28 and name H
	 ) 3.1 0.6 0.6 volume=302284423.500 peak=1476 ppm1=3.990 ppm2=8.380

assign ( resid 28 and name HA
	 )
       ( resid 40 and name HG2#
	 ) 3.8 0.8 0.8 volume=84598810.750 peak=1477 ppm1=3.992 ppm2=1.295

assign ( resid 28 and name HA
	 )
       ( resid 27 and name HG1#
	 ) 3.6 0.7 0.7 volume=120067007.000 peak=1478 ppm1=3.989 ppm2=1.145

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name HA
	 ) 2.8 0.6 0.6 volume=533661350.000 peak=1479 ppm1=1.680 ppm2=3.994

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HD1#
	 or resid 43 and name HD2#
	 ) 3.0 0.6 0.6 volume=373921584.000 peak=1481 ppm1=3.993 ppm2=0.900

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HA
	 ) 3.4 0.7 0.7 volume=123804663.750 peak=1483 ppm1=0.237 ppm2=4.067

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HD1#
	 ) 2.5 0.5 0.5 volume=1077994916.000 peak=1484 ppm1=4.058 ppm2=0.879

assign ( resid 62 and name HB3
	 )
       ( resid 62 and name HA
	 ) 3.1 0.6 0.6 volume=299579153.000 peak=1485 ppm1=1.486 ppm2=4.064

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HG
	 ) 3.3 0.7 0.7 volume=171603489.750 peak=1486 ppm1=4.058 ppm2=1.283

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HB2
	 ) 3.2 0.6 0.6 volume=270345112.000 peak=1487 ppm1=4.059 ppm2=1.811

assign ( resid 62 and name HA
	 )
       ( resid 54 and name HE#
	 ) 3.8 0.8 0.8 volume=84011944.375 peak=1490 ppm1=4.060 ppm2=7.190

assign ( resid 62 and name HA
	 )
       ( resid 66 and name H
	 ) 3.5 0.7 0.7 volume=142048367.250 peak=1491 ppm1=4.058 ppm2=8.743

assign ( resid 62 and name HA
	 )
       ( resid 62 and name H
	 ) 3.2 0.6 0.6 volume=249451957.000 peak=1492 ppm1=4.059 ppm2=8.492

assign ( resid 57 and name HA
	 )
       ( resid 57 and name H
	 ) 3.1 0.6 0.6 volume=294303003.000 peak=1493 ppm1=4.474 ppm2=8.365

assign ( resid 57 and name HA
	 )
       ( resid 58 and name H
	 ) 3.7 0.7 0.7 volume=99127257.000 peak=1494 ppm1=4.473 ppm2=8.995

assign ( resid 57 and name HA
	 )
       ( resid 60 and name H
	 ) 3.5 0.7 0.7 volume=143157834.750 peak=1495 ppm1=4.475 ppm2=7.200

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HB2
	 ) 2.9 0.6 0.6 volume=420397799.000 peak=1496 ppm1=4.473 ppm2=2.068

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HB3
	 or resid 60 and name HG
	 ) 3.1 0.6 0.6 volume=282923247.500 peak=1497 ppm1=4.473 ppm2=1.921

assign ( resid 65 and name HA
	 )
       ( resid 65 and name H
	 ) 3.0 0.6 0.6 volume=347024268.500 peak=1500 ppm1=4.505 ppm2=8.732

assign ( resid 65 and name HA
	 )
       ( resid 68 and name H
	 ) 3.6 0.7 0.7 volume=124353794.875 peak=1501 ppm1=4.502 ppm2=8.287

assign ( resid 65 and name HA
	 )
       ( resid 68 and name HG2#
	 ) 3.6 0.7 0.7 volume=117396413.125 peak=1504 ppm1=4.503 ppm2=1.260

assign ( resid 96 and name HA
	 )
       ( resid 96 and name H
	 ) 3.1 0.6 0.6 volume=294603235.500 peak=1507 ppm1=4.331 ppm2=7.310

assign ( resid 26 and name HA
	 )
       ( resid 27 and name H
	 ) 3.7 0.7 0.7 volume=108341118.500 peak=1508 ppm1=4.341 ppm2=7.960

assign ( resid 26 and name HA
	 )
       ( resid 26 and name H
	 ) 3.0 0.6 0.6 volume=374111132.500 peak=1509 ppm1=4.343 ppm2=7.794

assign ( resid 26 and name HA
	 )
       ( resid 29 and name H
	 ) 3.7 0.7 0.7 volume=97190261.000 peak=1510 ppm1=4.339 ppm2=9.303

assign ( resid 38 and name HA
	 )
       ( resid 39 and name HB2
	 ) 4.5 0.9 0.9 volume=30177150.750 peak=1511 ppm1=4.348 ppm2=3.842

assign ( resid 72 and name HA
	 )
       ( resid 73 and name H
	 ) 2.8 0.6 0.6 volume=592649487.000 peak=1512 ppm1=4.446 ppm2=8.549

assign ( resid 72 and name HA
	 )
       ( resid 72 and name H
	 ) 3.4 0.7 0.7 volume=168355693.000 peak=1513 ppm1=4.447 ppm2=7.741

assign ( resid 72 and name HB3
	 )
       ( resid 72 and name HA
	 ) 3.3 0.7 0.7 volume=214645666.500 peak=1515 ppm1=1.570 ppm2=4.450

assign ( resid 12 and name HA
	 )
       ( resid 11 and name HD2#
	 or resid 99 and name HD1#
	 ) 4.3 0.9 0.9 volume=43159764.906 peak=1518 ppm1=4.127 ppm2=0.794

assign ( resid 87 and name HA
	 )
       ( resid 90 and name HG2
	 or resid 90 and name HB2
	 ) 3.2 0.6 0.6 volume=269235215.000 peak=1520 ppm1=4.220 ppm2=2.102

assign ( resid 87 and name HA
	 )
       ( resid 90 and name H
	 ) 3.5 0.7 0.7 volume=151858106.500 peak=1522 ppm1=4.220 ppm2=7.816

assign ( resid 87 and name HA
	 )
       ( resid 88 and name H
	 ) 3.5 0.7 0.7 volume=155379124.000 peak=1523 ppm1=4.220 ppm2=8.556

assign ( resid 87 and name HA
	 )
       ( resid 87 and name H
	 ) 3.3 0.7 0.7 volume=222466564.250 peak=1524 ppm1=4.222 ppm2=8.262

assign ( resid 11 and name HA
	 )
       ( resid 10 and name HB2
	 ) 3.1 0.6 0.6 volume=287917447.000 peak=1526 ppm1=4.345 ppm2=1.929

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB3
	 ) 3.1 0.6 0.6 volume=277180358.000 peak=1527 ppm1=4.351 ppm2=1.499

assign ( resid 32 and name HA
	 )
       ( resid 32 and name H
	 ) 3.0 0.6 0.6 volume=346950085.000 peak=1528 ppm1=3.856 ppm2=8.758

assign ( resid 32 and name HA
	 )
       ( resid 31 and name H
	 ) 4.7 0.9 0.9 volume=26254373.453 peak=1529 ppm1=3.856 ppm2=8.910

assign ( resid 32 and name HA
	 )
       ( resid 37 and name H
	 ) 3.8 0.8 0.8 volume=94091154.125 peak=1530 ppm1=3.855 ppm2=8.197

assign ( resid 32 and name HA
	 )
       ( resid 34 and name H
	 ) 4.3 0.9 0.9 volume=41035131.500 peak=1531 ppm1=3.853 ppm2=8.023

assign ( resid 32 and name HA
	 )
       ( resid 36 and name H
	 ) 4.5 0.9 0.9 volume=30738780.500 peak=1532 ppm1=3.859 ppm2=7.784

assign ( resid 32 and name HA
	 )
       ( resid 35 and name H
	 ) 3.1 0.6 0.6 volume=282905922.000 peak=1533 ppm1=3.857 ppm2=7.661

assign ( resid 32 and name HA
	 )
       ( resid 37 and name HD#
	 ) 3.5 0.7 0.7 volume=156447580.500 peak=1534 ppm1=3.858 ppm2=7.031

assign ( resid 32 and name HA
	 )
       ( resid 37 and name HE#
	 ) 4.2 0.8 0.8 volume=45472881.625 peak=1535 ppm1=3.859 ppm2=6.851

assign ( resid 59 and name HA
	 )
       ( resid 62 and name HD2#
	 ) 3.7 0.7 0.7 volume=84730514.000 peak=1542 ppm1=3.861 ppm2=0.242

assign ( resid 59 and name HA
	 )
       ( resid 79 and name HD1#
	 ) 3.0 0.6 0.6 volume=353343754.000 peak=1543 ppm1=3.861 ppm2=0.011

assign ( resid 59 and name HA
	 )
       ( resid 34 and name HG2#
	 ) 4.0 0.8 0.8 volume=66856360.125 peak=1544 ppm1=3.856 ppm2=1.027

assign ( resid 59 and name HA
	 )
       ( resid 62 and name HB2
	 ) 3.5 0.7 0.7 volume=152279363.750 peak=1546 ppm1=3.860 ppm2=1.808

assign ( resid 59 and name HA
	 )
       ( resid 31 and name HA
	 or resid 58 and name HB
	 or resid 60 and name HA
	 ) 3.7 0.7 0.7 volume=99264482.000 peak=1548 ppm1=3.858 ppm2=4.180

assign ( resid 59 and name HA
	 )
       ( resid 54 and name HA
	 or resid 58 and name HA
	 ) 3.7 0.7 0.7 volume=104687257.875 peak=1549 ppm1=3.856 ppm2=4.096

assign ( resid 32 and name HA
	 )
       ( resid 40 and name HA
	 ) 4.1 0.8 0.8 volume=53335051.000 peak=1550 ppm1=3.856 ppm2=4.279

assign ( resid 59 and name HA
	 )
       ( resid 54 and name HD#
	 ) 3.3 0.7 0.7 volume=221735033.500 peak=1551 ppm1=3.861 ppm2=7.399

assign ( resid 59 and name HA
	 )
       ( resid 62 and name H
	 ) 3.6 0.7 0.7 volume=115362149.500 peak=1553 ppm1=3.858 ppm2=8.499

assign ( resid 89 and name HA
	 )
       ( resid 89 and name H
	 ) 3.1 0.6 0.6 volume=322014005.500 peak=1554 ppm1=3.799 ppm2=8.557

assign ( resid 89 and name HA
	 )
       ( resid 92 and name H
	 ) 3.6 0.7 0.7 volume=122758022.250 peak=1555 ppm1=3.800 ppm2=8.436

assign ( resid 89 and name HA
	 )
       ( resid 90 and name H
	 ) 3.8 0.8 0.8 volume=82250415.750 peak=1556 ppm1=3.799 ppm2=7.814

assign ( resid 89 and name HA
	 )
       ( resid 88 and name HB
	 ) 4.1 0.8 0.8 volume=52450070.875 peak=1557 ppm1=3.797 ppm2=2.308

assign ( resid 89 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 2.8 0.6 0.6 volume=514983934.000 peak=1560 ppm1=3.798 ppm2=1.236

assign ( resid 89 and name HA
	 )
       ( resid 88 and name HG1#
	 ) 3.4 0.7 0.7 volume=167632416.750 peak=1562 ppm1=3.799 ppm2=0.905

assign ( resid 89 and name HA
	 )
       ( resid 66 and name HD2#
	 or resid 92 and name HD2#
	 ) 2.9 0.6 0.6 volume=420951454.500 peak=1563 ppm1=3.798 ppm2=0.747

assign ( resid 21 and name HA
	 )
       ( resid 22 and name HA
	 ) 4.2 0.8 0.8 volume=47136780.938 peak=1566 ppm1=4.113 ppm2=3.715

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HA
	 ) 4.0 0.8 0.8 volume=65421492.812 peak=1567 ppm1=4.171 ppm2=3.854

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HG3
	 ) 3.7 0.7 0.7 volume=103477353.500 peak=1568 ppm1=4.166 ppm2=2.866

assign ( resid 16 and name HA
	 )
       ( resid 19 and name HB3
	 ) 3.2 0.6 0.6 volume=261518627.500 peak=1569 ppm1=4.166 ppm2=2.469

assign ( resid 31 and name HA
	 )
       ( resid 31 and name HB#
	 ) 2.6 0.5 0.5 volume=820216386.000 peak=1570 ppm1=4.185 ppm2=1.683

assign ( resid 31 and name HA
	 )
       ( resid 62 and name HD1#
	 ) 2.7 0.5 0.5 volume=704782283.000 peak=1573 ppm1=4.186 ppm2=0.888

assign ( resid 31 and name HA
	 )
       ( resid 54 and name HE#
	 ) 3.5 0.7 0.7 volume=139365689.750 peak=1574 ppm1=4.186 ppm2=7.217

assign ( resid 31 and name HA
	 )
       ( resid 34 and name H
	 ) 3.4 0.7 0.7 volume=164094494.250 peak=1575 ppm1=4.176 ppm2=8.016

assign ( resid 31 and name HA
	 )
       ( resid 31 and name H
	 ) 3.1 0.6 0.6 volume=294786792.000 peak=1576 ppm1=4.186 ppm2=8.907

assign ( resid 31 and name HA
	 )
       ( resid 32 and name H
	 ) 3.8 0.8 0.8 volume=94560571.250 peak=1577 ppm1=4.187 ppm2=8.762

assign ( resid 47 and name HA
	 )
       ( resid 47 and name H
	 ) 3.4 0.7 0.7 volume=174740849.500 peak=1578 ppm1=4.320 ppm2=7.518

assign ( resid 47 and name HA
	 )
       ( resid 51 and name HB2
	 ) 4.1 0.8 0.8 volume=54629306.062 peak=1579 ppm1=4.318 ppm2=2.994

assign ( resid 47 and name HA
	 )
       ( resid 44 and name HB2
	 ) 4.1 0.8 0.8 volume=58509169.500 peak=1580 ppm1=4.328 ppm2=2.819

assign ( resid 47 and name HA
	 )
       ( resid 47 and name HB2
	 ) 3.0 0.6 0.6 volume=362250631.000 peak=1581 ppm1=4.320 ppm2=2.068

assign ( resid 47 and name HA
	 )
       ( resid 47 and name HB3
	 ) 3.0 0.6 0.6 volume=346329152.000 peak=1582 ppm1=4.320 ppm2=1.944

assign ( resid 52 and name HA
	 )
       ( resid 52 and name H
	 ) 3.2 0.6 0.6 volume=240398897.500 peak=1583 ppm1=4.344 ppm2=8.222

assign ( resid 52 and name HA
	 )
       ( resid 54 and name H
	 ) 4.3 0.9 0.9 volume=39711325.625 peak=1584 ppm1=4.341 ppm2=8.115

assign ( resid 52 and name HA
	 )
       ( resid 53 and name H
	 ) 3.7 0.7 0.7 volume=99857241.750 peak=1585 ppm1=4.344 ppm2=7.770

assign ( resid 48 and name HA
	 )
       ( resid 52 and name HD1#
	 or resid 84 and name HG2#
	 ) 2.8 0.6 0.6 volume=540701248.000 peak=1590 ppm1=4.624 ppm2=1.004

assign ( resid 46 and name HA
	 )
       ( resid 47 and name H
	 ) 3.6 0.7 0.7 volume=125366885.250 peak=1592 ppm1=4.613 ppm2=7.518

assign ( resid 46 and name HA
	 )
       ( resid 46 and name H
	 ) 3.6 0.7 0.7 volume=116376698.625 peak=1594 ppm1=4.614 ppm2=8.537

assign ( resid 48 and name HA
	 )
       ( resid 85 and name HD3
	 ) 4.1 0.8 0.8 volume=59733175.375 peak=1595 ppm1=4.625 ppm2=2.505

assign ( resid 48 and name HA
	 )
       ( resid 49 and name H
	 ) 2.9 0.6 0.6 volume=424218867.000 peak=1597 ppm1=4.625 ppm2=8.210

assign ( resid 48 and name HA
	 )
       ( resid 48 and name H
	 ) 3.5 0.7 0.7 volume=149678589.750 peak=1598 ppm1=4.626 ppm2=8.908

assign ( resid 39 and name HA
	 )
       ( resid 40 and name H
	 ) 3.7 0.7 0.7 volume=97207858.750 peak=1599 ppm1=4.721 ppm2=8.379

assign ( resid 39 and name HA
	 )
       ( resid 39 and name H
	 ) 4.1 0.8 0.8 volume=52292418.000 peak=1600 ppm1=4.719 ppm2=8.025

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HB2
	 ) 3.0 0.6 0.6 volume=351602223.000 peak=1601 ppm1=4.721 ppm2=3.842

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HB3
	 ) 2.9 0.6 0.6 volume=455185293.000 peak=1602 ppm1=4.721 ppm2=4.056

assign ( resid 39 and name HA
	 )
       ( resid 38 and name HB#
	 ) 3.9 0.8 0.8 volume=80238729.812 peak=1603 ppm1=4.720 ppm2=1.502

assign ( resid 39 and name HA
	 )
       ( resid 40 and name HG2#
	 ) 3.9 0.8 0.8 volume=75892721.766 peak=1604 ppm1=4.722 ppm2=1.297

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HB2
	 ) 3.6 0.7 0.7 volume=123906838.000 peak=1605 ppm1=4.236 ppm2=4.003

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name HA
	 ) 2.8 0.6 0.6 volume=594731922.000 peak=1606 ppm1=1.682 ppm2=4.240

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 ) 2.8 0.6 0.6 volume=606190785.000 peak=1607 ppm1=4.238 ppm2=1.584

assign ( resid 51 and name HA
	 )
       ( resid 52 and name H
	 ) 3.6 0.7 0.7 volume=116331684.375 peak=1609 ppm1=4.535 ppm2=8.224

assign ( resid 51 and name HA
	 )
       ( resid 51 and name H
	 ) 3.1 0.6 0.6 volume=301277062.000 peak=1610 ppm1=4.534 ppm2=8.092

assign ( resid 51 and name HA
	 )
       ( resid 53 and name H
	 ) 3.9 0.8 0.8 volume=81052175.125 peak=1611 ppm1=4.533 ppm2=7.772

assign ( resid 51 and name HA
	 )
       ( resid 50 and name HA
	 ) 4.3 0.9 0.9 volume=43788395.234 peak=1612 ppm1=4.538 ppm2=4.308

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HB2
	 ) 3.1 0.6 0.6 volume=277702967.500 peak=1613 ppm1=4.532 ppm2=2.993

assign ( resid 51 and name HB3
	 )
       ( resid 51 and name HA
	 ) 2.9 0.6 0.6 volume=448875100.500 peak=1614 ppm1=2.833 ppm2=4.540

assign ( resid 51 and name HA
	 )
       ( resid 47 and name HG2
	 or resid 52 and name HB2
	 ) 4.4 0.9 0.9 volume=35254275.688 peak=1615 ppm1=4.532 ppm2=2.333

assign ( resid 51 and name HA
	 )
       ( resid 50 and name HG3
	 ) 4.2 0.8 0.8 volume=49362298.312 peak=1616 ppm1=4.535 ppm2=1.510

assign ( resid 51 and name HA
	 )
       ( resid 50 and name HB2
	 or resid 52 and name HB3
	 ) 3.9 0.8 0.8 volume=70398593.500 peak=1617 ppm1=4.531 ppm2=1.845

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HD2#
	 ) 2.7 0.5 0.5 volume=690853645.000 peak=1618 ppm1=4.156 ppm2=1.033

assign ( resid 60 and name HA
	 )
       ( resid 63 and name HB2
	 ) 3.3 0.7 0.7 volume=192817680.500 peak=1619 ppm1=4.156 ppm2=2.307

assign ( resid 75 and name HA
	 )
       ( resid 75 and name HB3
	 ) 2.9 0.6 0.6 volume=452505011.000 peak=1620 ppm1=4.392 ppm2=4.037

assign ( resid 7 and name HA
	 )
       ( resid 7 and name H
	 ) 3.0 0.6 0.6 volume=364166441.000 peak=1621 ppm1=4.183 ppm2=8.333

assign ( resid 30 and name HA
	 )
       ( resid 29 and name HB3
	 ) 4.0 0.8 0.8 volume=60638881.781 peak=1622 ppm1=4.206 ppm2=2.962

assign ( resid 10 and name HA
	 )
       ( resid 10 and name H
	 ) 3.0 0.6 0.6 volume=371004509.500 peak=1623 ppm1=4.213 ppm2=7.745

assign ( resid 10 and name HA
	 )
       ( resid 11 and name H
	 ) 3.5 0.7 0.7 volume=157055288.500 peak=1624 ppm1=4.212 ppm2=7.610

assign ( resid 10 and name HA
	 )
       ( resid 12 and name H
	 ) 4.1 0.8 0.8 volume=53444463.500 peak=1625 ppm1=4.216 ppm2=7.337

assign ( resid 26 and name HA
	 )
       ( resid 30 and name H
	 ) 4.1 0.8 0.8 volume=56194664.500 peak=1626 ppm1=4.343 ppm2=8.300

assign ( resid 26 and name HA
	 )
       ( resid 25 and name H
	 ) 4.6 0.9 0.9 volume=26486226.812 peak=1627 ppm1=4.340 ppm2=7.654

assign ( resid 29 and name HB3
	 )
       ( resid 26 and name HA
	 ) 2.8 0.6 0.6 volume=245294881.500 peak=1628 ppm1=2.968 ppm2=4.359

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HB3
	 ) 2.5 0.5 0.5 volume=1004198316.000 peak=1629 ppm1=4.477 ppm2=3.833

assign ( resid 65 and name HA
	 )
       ( resid 30 and name HG2
	 or resid 30 and name HB2
	 or resid 66 and name HB3
	 ) 4.0 0.8 0.8 volume=65035185.000 peak=1630 ppm1=4.499 ppm2=2.020

assign ( resid 42 and name HA
	 )
       ( resid 43 and name H
	 ) 2.9 0.6 0.6 volume=453436771.000 peak=1631 ppm1=4.476 ppm2=7.930

assign ( resid 90 and name HA
	 )
       ( resid 90 and name H
	 ) 3.0 0.6 0.6 volume=336161664.500 peak=1632 ppm1=3.877 ppm2=7.815

assign ( resid 90 and name HA
	 )
       ( resid 93 and name H
	 ) 3.4 0.7 0.7 volume=159512101.500 peak=1633 ppm1=3.876 ppm2=7.680

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HB2
	 ) 2.7 0.5 0.5 volume=701534588.000 peak=1634 ppm1=3.875 ppm2=2.100

assign ( resid 90 and name HA
	 )
       ( resid 93 and name HB3
	 ) 3.0 0.6 0.6 volume=376672821.000 peak=1635 ppm1=3.873 ppm2=1.841

assign ( resid 19 and name HA
	 )
       ( resid 16 and name HA
	 or resid 18 and name HA
	 ) 3.5 0.7 0.7 volume=142000753.750 peak=1637 ppm1=3.844 ppm2=4.165

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name HA
	 ) 3.3 0.7 0.7 volume=215718461.500 peak=1639 ppm1=2.466 ppm2=3.852

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HA
	 ) 2.9 0.6 0.6 volume=420963184.000 peak=1640 ppm1=1.897 ppm2=3.852

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HB3
	 ) 2.9 0.6 0.6 volume=454606832.000 peak=1643 ppm1=3.874 ppm2=1.986

assign ( resid 19 and name HA
	 )
       ( resid 22 and name HG2#
	 ) 3.3 0.7 0.7 volume=195701122.500 peak=1644 ppm1=3.846 ppm2=1.092

assign ( resid 19 and name HA
	 )
       ( resid 14 and name HD1#
	 or resid 22 and name HG1#
	 ) 2.9 0.6 0.6 volume=404502506.000 peak=1645 ppm1=3.844 ppm2=0.889

assign ( resid 90 and name HA
	 )
       ( resid 93 and name HD2#
	 ) 2.8 0.6 0.6 volume=607453269.000 peak=1647 ppm1=3.875 ppm2=0.805

assign ( resid 25 and name HA
	 )
       ( resid 26 and name H
	 ) 3.7 0.7 0.7 volume=107934414.375 peak=1648 ppm1=3.984 ppm2=7.800

assign ( resid 25 and name HA
	 )
       ( resid 25 and name H
	 ) 3.0 0.6 0.6 volume=338158239.000 peak=1649 ppm1=3.985 ppm2=7.672

assign ( resid 25 and name HA
	 )
       ( resid 24 and name HA
	 ) 4.1 0.8 0.8 volume=57329428.750 peak=1650 ppm1=3.984 ppm2=3.741

assign ( resid 25 and name HA
	 )
       ( resid 24 and name HD3
	 ) 4.4 0.9 0.9 volume=36966833.031 peak=1651 ppm1=3.983 ppm2=3.085

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HB3
	 ) 2.8 0.6 0.6 volume=555282039.000 peak=1653 ppm1=3.985 ppm2=1.890

assign ( resid 61 and name HA
	 )
       ( resid 61 and name H
	 ) 2.8 0.6 0.6 volume=594673719.000 peak=1655 ppm1=4.188 ppm2=7.679

assign ( resid 18 and name HA
	 )
       ( resid 20 and name H
	 ) 4.3 0.9 0.9 volume=41026027.812 peak=1656 ppm1=4.183 ppm2=7.982

assign ( resid 61 and name HA
	 )
       ( resid 62 and name H
	 ) 3.4 0.7 0.7 volume=173389648.250 peak=1657 ppm1=4.187 ppm2=8.497

assign ( resid 18 and name HA
	 )
       ( resid 19 and name H
	 ) 3.8 0.8 0.8 volume=94227422.500 peak=1658 ppm1=4.183 ppm2=9.163

assign ( resid 91 and name HA
	 )
       ( resid 92 and name H
	 ) 3.5 0.7 0.7 volume=136045270.750 peak=1659 ppm1=4.216 ppm2=8.451

assign ( resid 91 and name HA
	 )
       ( resid 91 and name H
	 ) 2.9 0.6 0.6 volume=487006673.000 peak=1660 ppm1=4.215 ppm2=7.717

assign ( resid 91 and name HA
	 )
       ( resid 94 and name H
	 ) 3.2 0.6 0.6 volume=271300130.500 peak=1661 ppm1=4.216 ppm2=7.599

assign ( resid 91 and name HA
	 )
       ( resid 95 and name HE21
	 ) 4.2 0.8 0.8 volume=51526195.000 peak=1662 ppm1=4.215 ppm2=6.624

assign ( resid 91 and name HA
	 )
       ( resid 91 and name HD2
	 ) 4.4 0.9 0.9 volume=35538907.312 peak=1663 ppm1=4.222 ppm2=6.193

assign ( resid 91 and name HA
	 )
       ( resid 88 and name HA
	 ) 4.2 0.8 0.8 volume=45882321.375 peak=1664 ppm1=4.219 ppm2=3.414

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HG3
	 ) 3.3 0.7 0.7 volume=221786733.500 peak=1666 ppm1=4.217 ppm2=2.462

assign ( resid 96 and name HA
	 )
       ( resid 96 and name HB
	 ) 3.0 0.6 0.6 volume=361017318.000 peak=1668 ppm1=4.331 ppm2=1.930

assign ( resid 96 and name HA
	 )
       ( resid 96 and name HG2#
	 ) 2.6 0.5 0.5 volume=918974948.000 peak=1669 ppm1=4.335 ppm2=0.920

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HA
	 ) 3.0 0.6 0.6 volume=368325250.000 peak=1670 ppm1=0.731 ppm2=4.332

assign ( resid 26 and name HA
	 )
       ( resid 29 and name HB2
	 ) 2.9 0.6 0.6 volume=113580258.000 peak=1672 ppm1=4.343 ppm2=2.608

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HE2
	 ) 4.3 0.9 0.9 volume=40407711.438 peak=1676 ppm1=4.311 ppm2=3.070

assign ( resid 54 and name HB2
	 )
       ( resid 50 and name HA
	 ) 3.7 0.7 0.7 volume=77580661.250 peak=1677 ppm1=2.835 ppm2=4.314

assign ( resid 50 and name HA
	 )
       ( resid 49 and name HB2
	 ) 3.8 0.8 0.8 volume=84215049.625 peak=1678 ppm1=4.309 ppm2=2.681

assign ( resid 50 and name HA
	 )
       ( resid 54 and name H
	 ) 3.4 0.7 0.7 volume=162113897.250 peak=1679 ppm1=4.309 ppm2=8.142

assign ( resid 50 and name HA
	 )
       ( resid 53 and name H
	 ) 4.0 0.8 0.8 volume=61991076.758 peak=1680 ppm1=4.307 ppm2=7.768

assign ( resid 50 and name HA
	 )
       ( resid 54 and name HD#
	 ) 4.5 0.9 0.9 volume=33369215.031 peak=1681 ppm1=4.311 ppm2=7.393

assign ( resid 50 and name HA
	 )
       ( resid 50 and name H
	 ) 3.2 0.6 0.6 volume=254492991.500 peak=1682 ppm1=4.310 ppm2=8.821

assign ( resid 65 and name HA
	 )
       ( resid 64 and name HB2
	 ) 4.3 0.9 0.9 volume=39574373.062 peak=1683 ppm1=4.505 ppm2=2.764

assign ( resid 65 and name HA
	 )
       ( resid 69 and name HB#
	 ) 4.2 0.8 0.8 volume=45228831.375 peak=1684 ppm1=4.497 ppm2=1.538

assign ( resid 80 and name HB2
	 )
       ( resid 80 and name HA
	 ) 3.2 0.6 0.6 volume=235890396.750 peak=1685 ppm1=2.889 ppm2=4.504

assign ( resid 80 and name HD#
	 )
       ( resid 80 and name HA
	 ) 3.1 0.6 0.6 volume=280840088.500 peak=1687 ppm1=7.115 ppm2=4.502

assign ( resid 80 and name HA
	 )
       ( resid 80 and name H
	 ) 3.3 0.7 0.7 volume=201562154.750 peak=1688 ppm1=4.500 ppm2=7.588

assign ( resid 65 and name HA
	 )
       ( resid 69 and name H
	 ) 3.7 0.7 0.7 volume=110658551.750 peak=1689 ppm1=4.505 ppm2=8.007

assign ( resid 78 and name HA
	 )
       ( resid 79 and name H
	 ) 3.6 0.7 0.7 volume=131431772.500 peak=1690 ppm1=4.035 ppm2=7.667

assign ( resid 78 and name HA
	 )
       ( resid 81 and name H
	 ) 4.1 0.8 0.8 volume=53424270.250 peak=1691 ppm1=4.038 ppm2=8.028

assign ( resid 78 and name HA
	 )
       ( resid 78 and name H
	 ) 3.1 0.6 0.6 volume=316173750.000 peak=1692 ppm1=4.040 ppm2=7.360

assign ( resid 78 and name HA
	 )
       ( resid 82 and name HD2
	 ) 3.4 0.7 0.7 volume=185084793.750 peak=1693 ppm1=4.038 ppm2=6.697

assign ( resid 78 and name HA
	 )
       ( resid 75 and name HB2
	 ) 3.9 0.8 0.8 volume=81500802.125 peak=1694 ppm1=4.034 ppm2=3.693

assign ( resid 78 and name HA
	 )
       ( resid 78 and name HB3
	 ) 3.4 0.7 0.7 volume=184509832.000 peak=1695 ppm1=4.037 ppm2=1.757

assign ( resid 78 and name HA
	 )
       ( resid 81 and name HB2
	 or resid 82 and name HB2
	 ) 3.6 0.7 0.7 volume=112326852.500 peak=1696 ppm1=4.038 ppm2=2.362

assign ( resid 78 and name HA
	 )
       ( resid 78 and name HB2
	 ) 3.1 0.6 0.6 volume=283054715.000 peak=1697 ppm1=4.036 ppm2=2.121

assign ( resid 78 and name HD1#
	 )
       ( resid 78 and name HA
	 ) 3.6 0.7 0.7 volume=127955614.500 peak=1699 ppm1=0.818 ppm2=4.046

assign ( resid 20 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 3.8 0.8 0.8 volume=88118469.625 peak=1700 ppm1=3.901 ppm2=1.246

assign ( resid 20 and name HA
	 )
       ( resid 20 and name HG3
	 ) 3.2 0.6 0.6 volume=225890172.750 peak=1701 ppm1=3.899 ppm2=1.515

assign ( resid 20 and name HA
	 )
       ( resid 21 and name H
	 ) 3.7 0.7 0.7 volume=109973791.000 peak=1704 ppm1=3.900 ppm2=7.701

assign ( resid 20 and name HA
	 )
       ( resid 20 and name H
	 ) 3.1 0.6 0.6 volume=304265801.000 peak=1705 ppm1=3.898 ppm2=8.003

assign ( resid 86 and name HA
	 )
       ( resid 24 and name HD2
	 ) 4.3 0.9 0.9 volume=43449300.500 peak=1706 ppm1=3.942 ppm2=3.037

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HB3
	 ) 3.3 0.7 0.7 volume=204746219.500 peak=1707 ppm1=3.940 ppm2=2.883

assign ( resid 86 and name HB2
	 )
       ( resid 86 and name HA
	 ) 3.2 0.6 0.6 volume=253806366.500 peak=1708 ppm1=2.705 ppm2=3.943

assign ( resid 20 and name HA
	 )
       ( resid 90 and name HB2
	 ) 3.9 0.8 0.8 volume=71215720.500 peak=1709 ppm1=3.934 ppm2=2.075

assign ( resid 86 and name HA
	 )
       ( resid 45 and name HG2#
	 ) 3.7 0.7 0.7 volume=104248264.000 peak=1711 ppm1=3.941 ppm2=1.099

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HD2
	 ) 3.8 0.8 0.8 volume=86903556.750 peak=1712 ppm1=3.941 ppm2=6.856

assign ( resid 86 and name HA
	 )
       ( resid 90 and name H
	 ) 4.4 0.9 0.9 volume=36630130.312 peak=1713 ppm1=3.941 ppm2=7.814

assign ( resid 86 and name HA
	 )
       ( resid 87 and name H
	 ) 3.9 0.8 0.8 volume=74748954.750 peak=1714 ppm1=3.942 ppm2=8.258

assign ( resid 54 and name HA
	 )
       ( resid 59 and name HB#
	 ) 4.1 0.8 0.8 volume=52222257.625 peak=1715 ppm1=4.086 ppm2=1.416

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HG12
	 ) 3.1 0.6 0.6 volume=156300766.750 peak=1717 ppm1=4.344 ppm2=1.206

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HG2#
	 ) 2.5 0.5 0.5 volume=756242118.000 peak=1718 ppm1=4.346 ppm2=0.903

assign ( resid 99 and name HA
	 )
       ( resid 19 and name HE22
	 ) 4.2 0.8 0.8 volume=47520189.312 peak=1719 ppm1=4.345 ppm2=6.811

assign ( resid 99 and name HA
	 )
       ( resid 99 and name H
	 ) 3.1 0.6 0.6 volume=302135947.000 peak=1720 ppm1=4.346 ppm2=7.811

assign ( resid 9 and name HA
	 )
       ( resid 12 and name H
	 ) 3.7 0.7 0.7 volume=99309696.750 peak=1721 ppm1=4.299 ppm2=7.334

assign ( resid 9 and name HA
	 )
       ( resid 9 and name H
	 ) 3.4 0.7 0.7 volume=163760163.250 peak=1722 ppm1=4.301 ppm2=7.897

assign ( resid 33 and name HA
	 )
       ( resid 34 and name H
	 ) 3.6 0.7 0.7 volume=125510524.000 peak=1723 ppm1=4.301 ppm2=8.026

assign ( resid 9 and name HA
	 )
       ( resid 8 and name HG2#
	 ) 3.7 0.7 0.7 volume=106497986.000 peak=1725 ppm1=4.301 ppm2=1.293

assign ( resid 15 and name HA
	 )
       ( resid 16 and name H
	 ) 3.4 0.7 0.7 volume=159303141.500 peak=1727 ppm1=4.391 ppm2=9.092

assign ( resid 15 and name HA
	 )
       ( resid 15 and name H
	 ) 3.4 0.7 0.7 volume=177338047.000 peak=1728 ppm1=4.391 ppm2=8.876

assign ( resid 5 and name HA
	 )
       ( resid 8 and name H
	 ) 4.1 0.8 0.8 volume=56583994.062 peak=1729 ppm1=4.429 ppm2=8.020

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG2#
	 ) 2.6 0.5 0.5 volume=850790944.000 peak=1730 ppm1=4.429 ppm2=1.249

assign ( resid 79 and name HG2#
	 )
       ( resid 80 and name HA
	 ) 4.8 1.0 1.0 volume=20404155.762 peak=1732 ppm1=-0.147 ppm2=4.507

assign ( resid 79 and name HG2#
	 )
       ( resid 54 and name HB2
	 ) 4.4 0.9 0.9 volume=38948095.281 peak=1733 ppm1=-0.149 ppm2=2.848

assign ( resid 79 and name HG2#
	 )
       ( resid 62 and name HD1#
	 ) 3.4 0.7 0.7 volume=176899017.000 peak=1736 ppm1=-0.149 ppm2=0.899

assign ( resid 62 and name HD2#
	 )
       ( resid 79 and name HD1#
	 ) 3.0 0.6 0.6 volume=340999647.250 peak=1738 ppm1=0.237 ppm2=0.008

assign ( resid 79 and name HD1#
	 )
       ( resid 79 and name HG12
	 ) 2.7 0.5 0.5 volume=638833127.000 peak=1739 ppm1=0.006 ppm2=0.143

assign ( resid 79 and name HD1#
	 )
       ( resid 79 and name HG2#
	 ) 2.6 0.5 0.5 volume=886268700.000 peak=1740 ppm1=0.006 ppm2=-0.137

assign ( resid 62 and name HB3
	 )
       ( resid 79 and name HD1#
	 ) 4.4 0.9 0.9 volume=34246612.578 peak=1741 ppm1=1.494 ppm2=0.025

assign ( resid 63 and name HA
	 )
       ( resid 79 and name HD1#
	 ) 4.5 0.9 0.9 volume=31001565.469 peak=1742 ppm1=3.637 ppm2=0.008

assign ( resid 49 and name HZ
	 )
       ( resid 79 and name HD1#
	 ) 4.5 0.9 0.9 volume=32888701.594 peak=1743 ppm1=6.586 ppm2=0.010

assign ( resid 58 and name HG2#
	 )
       ( resid 35 and name HD1#
	 ) 3.0 0.6 0.6 volume=390579544.500 peak=1744 ppm1=1.246 ppm2=0.095

assign ( resid 62 and name HD2#
	 )
       ( resid 27 and name HA
	 ) 4.8 1.0 1.0 volume=22714141.190 peak=1745 ppm1=0.235 ppm2=3.437

assign ( resid 35 and name HD2#
	 )
       ( resid 34 and name HG1#
	 or resid 43 and name HD1#
	 or resid 62 and name HD1#
	 ) 2.9 0.6 0.6 volume=463851194.500 peak=1746 ppm1=0.626 ppm2=0.865

assign ( resid 31 and name HB#
	 )
       ( resid 79 and name HG2#
	 ) 4.7 0.9 0.9 volume=24028716.812 peak=1747 ppm1=1.678 ppm2=-0.139

assign ( resid 82 and name HD2
	 )
       ( resid 78 and name HB3
	 ) 4.4 0.9 0.9 volume=36545605.125 peak=1748 ppm1=6.693 ppm2=1.749

assign ( resid 49 and name HZ
	 )
       ( resid 49 and name HE#
	 ) 2.8 0.6 0.6 volume=554280987.000 peak=1749 ppm1=6.587 ppm2=7.022

assign ( resid 49 and name HD#
	 )
       ( resid 49 and name HE#
	 ) 2.9 0.6 0.6 volume=409666094.000 peak=1750 ppm1=6.917 ppm2=7.024

assign ( resid 86 and name HD2
	 )
       ( resid 86 and name HA
	 ) 3.8 0.8 0.8 volume=89401653.375 peak=1751 ppm1=6.852 ppm2=3.940

assign ( resid 37 and name HE#
	 )
       ( resid 35 and name HG
	 ) 4.0 0.8 0.8 volume=65063974.688 peak=1752 ppm1=6.839 ppm2=0.988

assign ( resid 49 and name HD#
	 )
       ( resid 49 and name HZ
	 ) 3.6 0.7 0.7 volume=119221275.875 peak=1753 ppm1=6.912 ppm2=6.585

assign ( resid 65 and name HE1
	 )
       ( resid 34 and name HG2#
	 ) 4.8 1.0 1.0 volume=21388629.812 peak=1754 ppm1=8.185 ppm2=1.003

assign ( resid 65 and name HE1
	 )
       ( resid 61 and name HG2
	 ) 4.8 1.0 1.0 volume=22698764.969 peak=1755 ppm1=8.190 ppm2=2.426

assign ( resid 65 and name HE1
	 )
       ( resid 62 and name HA
	 ) 4.9 1.0 1.0 volume=18300137.641 peak=1756 ppm1=8.191 ppm2=4.063

assign ( resid 65 and name HE1
	 )
       ( resid 61 and name HA
	 ) 5.3 1.1 1.1 volume=11668462.117 peak=1757 ppm1=8.191 ppm2=4.180

assign ( resid 34 and name HA
	 )
       ( resid 65 and name HE1
	 ) 4.5 0.9 0.9 volume=12560871.203 peak=1758 ppm1=3.710 ppm2=8.184

assign ( resid 86 and name HE1
	 )
       ( resid 86 and name HB3
	 ) 5.0 1.0 1.0 volume=16698371.531 peak=1759 ppm1=7.288 ppm2=2.888

assign ( resid 86 and name HE1
	 )
       ( resid 86 and name HB2
	 ) 5.2 1.0 1.0 volume=13326382.188 peak=1760 ppm1=7.290 ppm2=2.740

assign ( resid 86 and name HE1
	 )
       ( resid 86 and name HD2
	 ) 5.0 1.0 1.0 volume=16849866.422 peak=1761 ppm1=7.288 ppm2=6.859

assign ( resid 86 and name HE1
	 )
       ( resid 46 and name HD2
	 ) 4.6 0.9 0.9 volume=29088163.656 peak=1762 ppm1=7.286 ppm2=6.972

assign ( resid 91 and name HE1
	 )
       ( resid 78 and name HD2#
	 ) 5.1 1.0 1.0 volume=14807273.438 peak=1763 ppm1=7.709 ppm2=1.047

assign ( resid 91 and name HE1
	 )
       ( resid 74 and name HD1#
	 ) 5.0 1.0 1.0 volume=17604700.438 peak=1764 ppm1=7.706 ppm2=0.926

assign ( resid 91 and name HE1
	 )
       ( resid 74 and name HD2#
	 or resid 78 and name HD1#
	 ) 5.1 1.0 1.0 volume=15147630.438 peak=1765 ppm1=7.711 ppm2=0.792

assign ( resid 91 and name HE1
	 )
       ( resid 95 and name HG3
	 ) 4.7 0.9 0.9 volume=24082332.531 peak=1766 ppm1=7.709 ppm2=1.968

assign ( resid 91 and name HE1
	 )
       ( resid 91 and name HB3
	 ) 5.1 1.0 1.0 volume=14510336.359 peak=1767 ppm1=7.714 ppm2=2.146

assign ( resid 91 and name HE1
	 )
       ( resid 91 and name HD2
	 ) 4.7 0.9 0.9 volume=25693815.250 peak=1768 ppm1=7.710 ppm2=6.184

assign ( resid 82 and name HE1
	 )
       ( resid 91 and name HB2
	 ) 4.9 1.0 1.0 volume=18902815.625 peak=1769 ppm1=7.631 ppm2=3.019

assign ( resid 82 and name HE1
	 )
       ( resid 91 and name HB3
	 ) 4.3 0.9 0.9 volume=39729860.969 peak=1770 ppm1=7.628 ppm2=2.185

assign ( resid 82 and name HE1
	 )
       ( resid 82 and name HD2
	 ) 4.8 1.0 1.0 volume=21627664.594 peak=1771 ppm1=7.629 ppm2=6.683

assign ( resid 54 and name HZ
	 )
       ( resid 35 and name H
	 ) 4.6 0.9 0.9 volume=27150733.266 peak=1772 ppm1=7.356 ppm2=7.654

assign ( resid 54 and name HZ
	 )
       ( resid 31 and name H
	 ) 4.8 1.0 1.0 volume=20488262.875 peak=1773 ppm1=7.346 ppm2=8.915

assign ( resid 54 and name HZ
	 )
       ( resid 32 and name H
	 ) 5.1 1.0 1.0 volume=15223362.828 peak=1774 ppm1=7.357 ppm2=8.749

assign ( resid 54 and name HZ
	 )
       ( resid 62 and name HA
	 ) 4.9 1.0 1.0 volume=20385743.062 peak=1775 ppm1=7.357 ppm2=4.057

assign ( resid 54 and name HZ
	 )
       ( resid 58 and name HG2#
	 ) 4.7 0.9 0.9 volume=24598982.625 peak=1776 ppm1=7.353 ppm2=1.269

assign ( resid 49 and name HZ
	 )
       ( resid 27 and name HA
	 ) 5.1 1.0 1.0 volume=15610259.797 peak=1778 ppm1=6.586 ppm2=3.439

assign ( resid 70 and name HB
	 )
       ( resid 71 and name H
	 ) 4.4 0.9 0.9 volume=35608606.125 peak=1780 ppm1=4.128 ppm2=8.643

assign ( resid 40 and name HB
	 )
       ( resid 28 and name HA
	 ) 4.5 0.9 0.9 volume=31195390.188 peak=1781 ppm1=4.505 ppm2=4.004

assign ( resid 58 and name HB
	 )
       ( resid 35 and name HD1#
	 ) 3.4 0.7 0.7 volume=114320837.250 peak=1782 ppm1=4.139 ppm2=0.096

assign ( resid 58 and name HB
	 )
       ( resid 35 and name HD2#
	 ) 4.8 1.0 1.0 volume=22210099.500 peak=1783 ppm1=4.138 ppm2=0.617

assign ( resid 58 and name HB
	 )
       ( resid 34 and name HG1#
	 ) 3.7 0.7 0.7 volume=96476888.375 peak=1784 ppm1=4.137 ppm2=0.861

assign ( resid 58 and name HB
	 )
       ( resid 34 and name HG2#
	 ) 2.7 0.5 0.5 volume=623421109.000 peak=1785 ppm1=4.139 ppm2=1.006

assign ( resid 58 and name HB
	 )
       ( resid 62 and name H
	 ) 4.6 0.9 0.9 volume=26656367.188 peak=1786 ppm1=4.139 ppm2=8.492

assign ( resid 23 and name HB
	 )
       ( resid 26 and name HA
	 ) 4.6 0.9 0.9 volume=28260606.078 peak=1787 ppm1=3.803 ppm2=4.358

assign ( resid 35 and name HA
	 )
       ( resid 37 and name H
	 ) 4.8 1.0 1.0 volume=20495342.188 peak=1788 ppm1=3.998 ppm2=8.199

assign ( resid 35 and name HA
	 )
       ( resid 34 and name H
	 ) 4.6 0.9 0.9 volume=28402901.000 peak=1789 ppm1=4.001 ppm2=8.035

assign ( resid 35 and name HA
	 )
       ( resid 54 and name HE#
	 ) 4.8 1.0 1.0 volume=20742653.969 peak=1790 ppm1=3.998 ppm2=7.229

assign ( resid 35 and name HA
	 )
       ( resid 37 and name HD#
	 ) 4.6 0.9 0.9 volume=22165530.938 peak=1791 ppm1=3.992 ppm2=7.030

assign ( resid 85 and name HD3
	 )
       ( resid 85 and name HA
	 ) 4.2 0.8 0.8 volume=51331203.375 peak=1793 ppm1=2.496 ppm2=4.082

assign ( resid 85 and name HD3
	 )
       ( resid 84 and name HA
	 ) 3.0 0.6 0.6 volume=238695417.500 peak=1795 ppm1=2.499 ppm2=4.439

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HA
	 ) 4.1 0.8 0.8 volume=56837222.500 peak=1796 ppm1=3.794 ppm2=4.092

assign ( resid 85 and name HD2
	 )
       ( resid 46 and name HA
	 or resid 48 and name HA
	 ) 4.5 0.9 0.9 volume=31971117.562 peak=1797 ppm1=3.793 ppm2=4.619

assign ( resid 85 and name HD2
	 )
       ( resid 49 and name HZ
	 ) 5.1 1.0 1.0 volume=14737452.594 peak=1798 ppm1=3.802 ppm2=6.583

assign ( resid 85 and name HD2
	 )
       ( resid 49 and name HD#
	 ) 5.0 1.0 1.0 volume=17174730.812 peak=1799 ppm1=3.789 ppm2=6.903

assign ( resid 85 and name HD3
	 )
       ( resid 49 and name HE#
	 ) 4.3 0.9 0.9 volume=40059157.062 peak=1801 ppm1=2.498 ppm2=7.021

assign ( resid 85 and name HD3
	 )
       ( resid 84 and name H
	 ) 4.8 1.0 1.0 volume=21490979.125 peak=1802 ppm1=2.502 ppm2=7.329

assign ( resid 85 and name HD2
	 )
       ( resid 47 and name H
	 ) 4.9 1.0 1.0 volume=18239555.781 peak=1803 ppm1=3.796 ppm2=7.517

assign ( resid 85 and name HD2
	 )
       ( resid 87 and name H
	 ) 4.7 0.9 0.9 volume=24979620.844 peak=1804 ppm1=3.794 ppm2=8.224

assign ( resid 85 and name HD3
	 )
       ( resid 86 and name H
	 ) 4.4 0.9 0.9 volume=37268872.250 peak=1805 ppm1=2.497 ppm2=8.576

assign ( resid 85 and name HD3
	 )
       ( resid 87 and name H
	 ) 4.5 0.9 0.9 volume=32038964.594 peak=1807 ppm1=2.495 ppm2=8.224

assign ( resid 85 and name HD2
	 )
       ( resid 87 and name HB#
	 ) 4.7 0.9 0.9 volume=25977952.656 peak=1808 ppm1=3.794 ppm2=1.751

assign ( resid 38 and name HA
	 )
       ( resid 38 and name H
	 ) 4.6 0.9 0.9 volume=27514333.812 peak=1809 ppm1=4.348 ppm2=8.837

assign ( resid 53 and name HA2
	 )
       ( resid 52 and name HB3
	 ) 4.7 0.9 0.9 volume=25184448.266 peak=1810 ppm1=4.406 ppm2=1.837

assign ( resid 53 and name HA3
	 )
       ( resid 52 and name HB2
	 ) 4.8 1.0 1.0 volume=21547190.250 peak=1811 ppm1=3.820 ppm2=2.336

assign ( resid 53 and name HA3
	 )
       ( resid 52 and name HB3
	 ) 4.7 0.9 0.9 volume=25436587.250 peak=1812 ppm1=3.807 ppm2=1.828

assign ( resid 71 and name HA3
	 )
       ( resid 70 and name H
	 ) 4.5 0.9 0.9 volume=32018452.625 peak=1813 ppm1=4.329 ppm2=7.626

assign ( resid 13 and name HA2
	 )
       ( resid 14 and name HD1#
	 ) 4.0 0.8 0.8 volume=60891863.500 peak=1814 ppm1=4.080 ppm2=0.873

assign ( resid 36 and name HA3
	 )
       ( resid 34 and name HA
	 ) 4.4 0.9 0.9 volume=36209229.250 peak=1815 ppm1=4.080 ppm2=3.688

assign ( resid 13 and name HA2
	 )
       ( resid 10 and name HA
	 ) 4.2 0.8 0.8 volume=47324403.062 peak=1816 ppm1=4.080 ppm2=4.227

assign ( resid 36 and name HA2
	 )
       ( resid 37 and name HA
	 ) 5.0 1.0 1.0 volume=16759985.047 peak=1817 ppm1=3.852 ppm2=4.749

assign ( resid 36 and name HA3
	 )
       ( resid 37 and name HA
	 ) 5.0 1.0 1.0 volume=17643279.562 peak=1818 ppm1=4.084 ppm2=4.742

assign ( resid 37 and name HB3
	 )
       ( resid 38 and name HA
	 ) 4.7 0.9 0.9 volume=21851326.000 peak=1820 ppm1=3.335 ppm2=4.354

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name HE#
	 ) 4.5 0.9 0.9 volume=32827781.250 peak=1821 ppm1=2.933 ppm2=6.843

assign ( resid 81 and name HA
	 )
       ( resid 80 and name HB3
	 ) 4.5 0.9 0.9 volume=22785458.812 peak=1822 ppm1=4.091 ppm2=3.230

assign ( resid 80 and name HB2
	 )
       ( resid 81 and name HA
	 ) 4.5 0.9 0.9 volume=29509603.312 peak=1823 ppm1=2.891 ppm2=4.087

assign ( resid 80 and name HB3
	 )
       ( resid 81 and name HB2
	 ) 4.9 1.0 1.0 volume=18412212.281 peak=1824 ppm1=3.238 ppm2=2.360

assign ( resid 80 and name HB2
	 )
       ( resid 81 and name HB2
	 ) 4.9 1.0 1.0 volume=19680295.359 peak=1825 ppm1=2.890 ppm2=2.373

assign ( resid 80 and name HB3
	 )
       ( resid 77 and name HB
	 ) 4.1 0.8 0.8 volume=27574199.562 peak=1826 ppm1=3.224 ppm2=4.799

assign ( resid 79 and name HB
	 )
       ( resid 54 and name HB2
	 ) 4.9 1.0 1.0 volume=19892935.000 peak=1828 ppm1=1.301 ppm2=2.859

assign ( resid 79 and name HB
	 )
       ( resid 82 and name HB2
	 ) 4.9 1.0 1.0 volume=20356445.156 peak=1829 ppm1=1.289 ppm2=2.354

assign ( resid 72 and name HB3
	 )
       ( resid 73 and name HB3
	 ) 4.9 1.0 1.0 volume=18807012.219 peak=1830 ppm1=1.569 ppm2=2.662

assign ( resid 72 and name HB2
	 )
       ( resid 73 and name HB2
	 ) 4.7 0.9 0.9 volume=24864895.688 peak=1831 ppm1=1.231 ppm2=2.720

assign ( resid 72 and name HB2
	 )
       ( resid 95 and name HG2
	 ) 4.7 0.9 0.9 volume=26239764.000 peak=1832 ppm1=1.233 ppm2=2.274

assign ( resid 52 and name HB2
	 )
       ( resid 35 and name HD1#
	 ) 4.7 0.9 0.9 volume=24850916.406 peak=1833 ppm1=2.336 ppm2=0.094

assign ( resid 35 and name HD1#
	 )
       ( resid 52 and name HB3
	 ) 4.0 0.8 0.8 volume=27573291.188 peak=1834 ppm1=0.090 ppm2=1.824

assign ( resid 29 and name HB2
	 )
       ( resid 29 and name HB3
	 ) 2.4 0.5 0.5 volume=1459244112.000 peak=1835 ppm1=2.602 ppm2=2.971

assign ( resid 30 and name HG3
	 )
       ( resid 29 and name HB2
	 ) 4.6 0.9 0.9 volume=27381416.375 peak=1837 ppm1=2.817 ppm2=2.598

assign ( resid 30 and name HG3
	 )
       ( resid 65 and name HB2
	 ) 4.6 0.9 0.9 volume=27959150.562 peak=1838 ppm1=2.829 ppm2=3.614

assign ( resid 30 and name HG3
	 )
       ( resid 65 and name HB3
	 ) 5.0 1.0 1.0 volume=17715884.375 peak=1839 ppm1=2.821 ppm2=3.202

assign ( resid 30 and name HG2
	 )
       ( resid 65 and name HB3
	 ) 4.6 0.9 0.9 volume=28013966.250 peak=1840 ppm1=1.987 ppm2=3.211

assign ( resid 30 and name HG2
	 )
       ( resid 29 and name HB3
	 ) 4.5 0.9 0.9 volume=32428133.375 peak=1841 ppm1=1.989 ppm2=2.970

assign ( resid 30 and name HG3
	 )
       ( resid 29 and name HB3
	 ) 4.3 0.9 0.9 volume=45053673.688 peak=1842 ppm1=2.818 ppm2=2.967

assign ( resid 30 and name HG3
	 )
       ( resid 32 and name H
	 ) 5.2 1.0 1.0 volume=13653725.297 peak=1843 ppm1=2.819 ppm2=8.754

assign ( resid 30 and name HG2
	 )
       ( resid 32 and name H
	 or resid 66 and name H
	 ) 4.9 1.0 1.0 volume=19173994.984 peak=1844 ppm1=1.993 ppm2=8.760

assign ( resid 30 and name HG3
	 )
       ( resid 29 and name H
	 ) 4.7 0.9 0.9 volume=25307807.812 peak=1845 ppm1=2.820 ppm2=9.306

assign ( resid 30 and name HG2
	 )
       ( resid 29 and name H
	 ) 4.9 1.0 1.0 volume=18701382.156 peak=1846 ppm1=1.990 ppm2=9.297

assign ( resid 91 and name HB2
	 )
       ( resid 88 and name HG2#
	 ) 4.3 0.9 0.9 volume=41107995.438 peak=1847 ppm1=3.021 ppm2=1.330

assign ( resid 91 and name HB3
	 )
       ( resid 88 and name HG2#
	 ) 4.3 0.9 0.9 volume=40369163.000 peak=1848 ppm1=2.178 ppm2=1.339

assign ( resid 91 and name HB2
	 )
       ( resid 88 and name HB
	 ) 4.2 0.8 0.8 volume=48399577.500 peak=1849 ppm1=3.023 ppm2=2.321

assign ( resid 91 and name HB2
	 )
       ( resid 92 and name HB3
	 or resid 94 and name HB2
	 ) 4.3 0.9 0.9 volume=40176456.812 peak=1850 ppm1=3.017 ppm2=1.966

assign ( resid 91 and name HB3
	 )
       ( resid 82 and name HE1
	 or resid 94 and name H
	 ) 4.3 0.9 0.9 volume=40731688.562 peak=1851 ppm1=2.178 ppm2=7.603

assign ( resid 91 and name HB2
	 )
       ( resid 94 and name H
	 ) 5.1 1.0 1.0 volume=15623075.469 peak=1852 ppm1=3.022 ppm2=7.604

assign ( resid 91 and name HB2
	 )
       ( resid 89 and name H
	 ) 4.7 0.9 0.9 volume=24419990.531 peak=1853 ppm1=3.028 ppm2=8.569

assign ( resid 91 and name HB3
	 )
       ( resid 89 and name H
	 ) 4.7 0.9 0.9 volume=23310436.219 peak=1854 ppm1=2.179 ppm2=8.564

assign ( resid 84 and name HG2#
	 )
       ( resid 87 and name HB#
	 ) 3.5 0.7 0.7 volume=132488656.750 peak=1855 ppm1=0.997 ppm2=1.737

assign ( resid 87 and name HB#
	 )
       ( resid 85 and name HA
	 ) 4.5 0.9 0.9 volume=33519953.812 peak=1857 ppm1=1.741 ppm2=4.085

assign ( resid 87 and name HB#
	 )
       ( resid 79 and name HA
	 ) 4.5 0.9 0.9 volume=30690898.250 peak=1858 ppm1=1.743 ppm2=3.824

assign ( resid 87 and name HB#
	 )
       ( resid 84 and name HA
	 ) 4.5 0.9 0.9 volume=31466537.094 peak=1859 ppm1=1.738 ppm2=4.450

assign ( resid 87 and name HB#
	 )
       ( resid 83 and name HA
	 ) 5.0 1.0 1.0 volume=16681681.627 peak=1861 ppm1=1.734 ppm2=5.105

assign ( resid 87 and name HB#
	 )
       ( resid 82 and name HD2
	 ) 4.8 1.0 1.0 volume=21154220.188 peak=1862 ppm1=1.742 ppm2=6.705

assign ( resid 87 and name HB#
	 )
       ( resid 49 and name HZ
	 ) 5.2 1.0 1.0 volume=13986882.875 peak=1863 ppm1=1.743 ppm2=6.574

assign ( resid 86 and name HB3
	 )
       ( resid 45 and name HG2#
	 ) 4.0 0.8 0.8 volume=62271640.875 peak=1864 ppm1=2.884 ppm2=1.106

assign ( resid 86 and name HB3
	 )
       ( resid 89 and name HB#
	 ) 4.7 0.9 0.9 volume=23694826.812 peak=1866 ppm1=2.886 ppm2=1.398

assign ( resid 86 and name HB2
	 )
       ( resid 89 and name HB#
	 ) 4.7 0.9 0.9 volume=25730825.125 peak=1867 ppm1=2.704 ppm2=1.408

assign ( resid 87 and name HB#
	 )
       ( resid 86 and name HB2
	 ) 4.4 0.9 0.9 volume=38512858.500 peak=1869 ppm1=1.738 ppm2=2.710

assign ( resid 86 and name HB3
	 )
       ( resid 83 and name HG3
	 ) 4.6 0.9 0.9 volume=28322766.875 peak=1870 ppm1=2.884 ppm2=2.062

assign ( resid 86 and name HB3
	 )
       ( resid 86 and name HB2
	 ) 2.8 0.6 0.6 volume=585534980.000 peak=1872 ppm1=2.882 ppm2=2.708

assign ( resid 86 and name HB3
	 )
       ( resid 45 and name HB
	 or resid 85 and name HA
	 ) 4.1 0.8 0.8 volume=56271488.625 peak=1873 ppm1=2.882 ppm2=4.072

assign ( resid 86 and name HB2
	 )
       ( resid 45 and name HB
	 or resid 85 and name HA
	 ) 4.0 0.8 0.8 volume=66169769.500 peak=1874 ppm1=2.704 ppm2=4.075

assign ( resid 86 and name HB3
	 )
       ( resid 86 and name HD2
	 ) 3.9 0.8 0.8 volume=72349487.125 peak=1879 ppm1=2.884 ppm2=6.855

assign ( resid 86 and name HB2
	 )
       ( resid 86 and name HD2
	 ) 4.1 0.8 0.8 volume=59737964.625 peak=1880 ppm1=2.704 ppm2=6.857

assign ( resid 86 and name HB2
	 )
       ( resid 84 and name H
	 or resid 86 and name HE1
	 ) 5.0 1.0 1.0 volume=16720677.219 peak=1881 ppm1=2.705 ppm2=7.309

assign ( resid 86 and name HB3
	 )
       ( resid 84 and name H
	 ) 4.7 0.9 0.9 volume=25943919.719 peak=1882 ppm1=2.884 ppm2=7.297

assign ( resid 86 and name HB3
	 )
       ( resid 87 and name H
	 ) 3.5 0.7 0.7 volume=135952432.250 peak=1883 ppm1=2.882 ppm2=8.262

assign ( resid 86 and name HB2
	 )
       ( resid 87 and name H
	 ) 3.7 0.7 0.7 volume=105370201.125 peak=1884 ppm1=2.704 ppm2=8.262

assign ( resid 46 and name HB2
	 )
       ( resid 47 and name HA
	 ) 4.9 1.0 1.0 volume=18632348.938 peak=1885 ppm1=2.953 ppm2=4.372

assign ( resid 46 and name HB3
	 )
       ( resid 47 and name HA
	 ) 4.7 0.9 0.9 volume=25216115.125 peak=1886 ppm1=3.293 ppm2=4.352

assign ( resid 46 and name HB3
	 )
       ( resid 44 and name HB2
	 ) 4.5 0.9 0.9 volume=31906293.219 peak=1887 ppm1=3.294 ppm2=2.821

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name HB2
	 ) 3.1 0.6 0.6 volume=201521639.000 peak=1888 ppm1=2.253 ppm2=1.903

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name HG2
	 ) 3.3 0.7 0.7 volume=208522541.500 peak=1889 ppm1=2.463 ppm2=2.250

assign ( resid 19 and name HB3
	 )
       ( resid 16 and name HB#
	 or resid 20 and name HG3
	 ) 3.9 0.8 0.8 volume=76562625.750 peak=1890 ppm1=2.466 ppm2=1.519

assign ( resid 19 and name HB2
	 )
       ( resid 16 and name HB#
	 or resid 20 and name HG3
	 ) 3.9 0.8 0.8 volume=70581983.500 peak=1891 ppm1=1.888 ppm2=1.514

assign ( resid 19 and name HB2
	 )
       ( resid 16 and name HA
	 ) 3.6 0.7 0.7 volume=130414464.750 peak=1893 ppm1=1.894 ppm2=4.167

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name HE21
	 ) 4.4 0.9 0.9 volume=36016036.312 peak=1896 ppm1=2.466 ppm2=7.156

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name HE22
	 ) 4.8 1.0 1.0 volume=22162127.188 peak=1897 ppm1=2.470 ppm2=6.811

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HE21
	 ) 4.5 0.9 0.9 volume=30222293.867 peak=1898 ppm1=1.888 ppm2=7.152

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HE22
	 ) 4.9 1.0 1.0 volume=19396408.406 peak=1899 ppm1=1.896 ppm2=6.810

assign ( resid 19 and name HB3
	 )
       ( resid 20 and name H
	 ) 3.5 0.7 0.7 volume=137212214.000 peak=1900 ppm1=2.466 ppm2=7.994

assign ( resid 19 and name HB2
	 )
       ( resid 20 and name H
	 ) 3.7 0.7 0.7 volume=111684283.500 peak=1901 ppm1=1.895 ppm2=7.995

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name H
	 ) 3.4 0.7 0.7 volume=186942372.500 peak=1902 ppm1=2.465 ppm2=9.162

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name H
	 ) 3.5 0.7 0.7 volume=149917429.000 peak=1903 ppm1=1.900 ppm2=9.160

assign ( resid 78 and name HD1#
	 )
       ( resid 62 and name HD2#
	 ) 4.0 0.8 0.8 volume=66148061.188 peak=1905 ppm1=0.818 ppm2=0.231

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HG
	 ) 2.5 0.5 0.5 volume=998234044.000 peak=1907 ppm1=0.237 ppm2=1.289

assign ( resid 62 and name HG
	 )
       ( resid 79 and name HD1#
	 ) 3.9 0.8 0.8 volume=77022267.250 peak=1908 ppm1=1.284 ppm2=0.010

assign ( resid 63 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 4.8 1.0 1.0 volume=21369856.406 peak=1911 ppm1=3.641 ppm2=-0.144

assign ( resid 34 and name HB
	 )
       ( resid 35 and name HD1#
	 ) 3.9 0.8 0.8 volume=45484889.625 peak=1913 ppm1=2.247 ppm2=0.094

assign ( resid 58 and name HA
	 )
       ( resid 35 and name HD1#
	 ) 4.8 1.0 1.0 volume=22552120.344 peak=1914 ppm1=4.120 ppm2=0.100

assign ( resid 85 and name HA
	 )
       ( resid 62 and name HD2#
	 ) 4.9 1.0 1.0 volume=19755667.500 peak=1915 ppm1=4.087 ppm2=0.236

assign ( resid 79 and name HB
	 )
       ( resid 62 and name HD2#
	 ) 4.5 0.9 0.9 volume=30762879.500 peak=1917 ppm1=1.295 ppm2=0.249

assign ( resid 78 and name HB3
	 )
       ( resid 79 and name HG12
	 ) 5.1 1.0 1.0 volume=15554852.812 peak=1918 ppm1=1.750 ppm2=0.126

assign ( resid 59 and name HB#
	 )
       ( resid 62 and name HD2#
	 ) 4.2 0.8 0.8 volume=49563776.062 peak=1919 ppm1=1.409 ppm2=0.247

assign ( resid 59 and name HB#
	 )
       ( resid 79 and name HG12
	 ) 3.4 0.7 0.7 volume=173844342.500 peak=1920 ppm1=1.414 ppm2=0.126

assign ( resid 35 and name HD1#
	 )
       ( resid 52 and name HA
	 ) 4.3 0.9 0.9 volume=17936548.375 peak=1922 ppm1=0.094 ppm2=4.338

assign ( resid 31 and name HA
	 )
       ( resid 35 and name HD1#
	 ) 4.8 1.0 1.0 volume=22730754.938 peak=1923 ppm1=4.184 ppm2=0.103

assign ( resid 88 and name HG2#
	 )
       ( resid 87 and name HB#
	 ) 3.2 0.6 0.6 volume=268339995.500 peak=1925 ppm1=1.324 ppm2=1.744

assign ( resid 15 and name HG2#
	 )
       ( resid 18 and name HB3
	 ) 4.3 0.9 0.9 volume=43312144.797 peak=1926 ppm1=1.421 ppm2=2.111

assign ( resid 74 and name HD1#
	 )
       ( resid 74 and name HA
	 ) 3.4 0.7 0.7 volume=167690166.500 peak=1927 ppm1=0.926 ppm2=4.872

assign ( resid 74 and name HD1#
	 )
       ( resid 91 and name HD2
	 ) 3.0 0.6 0.6 volume=336863868.500 peak=1928 ppm1=0.924 ppm2=6.188

assign ( resid 74 and name HD1#
	 )
       ( resid 74 and name H
	 ) 3.9 0.8 0.8 volume=70555996.062 peak=1929 ppm1=0.927 ppm2=9.299

assign ( resid 62 and name HD2#
	 )
       ( resid 54 and name HB3
	 ) 4.7 0.9 0.9 volume=23650792.250 peak=1930 ppm1=0.235 ppm2=2.695

assign ( resid 66 and name HD2#
	 )
       ( resid 67 and name H
	 ) 4.2 0.8 0.8 volume=48596577.500 peak=1931 ppm1=0.735 ppm2=8.897

assign ( resid 66 and name HD2#
	 )
       ( resid 66 and name H
	 ) 3.2 0.6 0.6 volume=247109193.000 peak=1932 ppm1=0.736 ppm2=8.778

assign ( resid 66 and name HD2#
	 )
       ( resid 66 and name HA
	 ) 2.5 0.5 0.5 volume=238120872.500 peak=1933 ppm1=0.736 ppm2=4.134

assign ( resid 66 and name HD2#
	 )
       ( resid 63 and name HA
	 ) 3.4 0.7 0.7 volume=170850716.250 peak=1934 ppm1=0.737 ppm2=3.646

assign ( resid 66 and name HD2#
	 )
       ( resid 27 and name HA
	 ) 2.7 0.5 0.5 volume=90147998.000 peak=1935 ppm1=0.735 ppm2=3.437

assign ( resid 66 and name HD2#
	 )
       ( resid 66 and name HG
	 ) 2.5 0.5 0.5 volume=1083789250.000 peak=1936 ppm1=0.737 ppm2=1.856

assign ( resid 66 and name HD2#
	 )
       ( resid 66 and name HB3
	 ) 2.8 0.6 0.6 volume=512526852.000 peak=1937 ppm1=0.737 ppm2=2.030

assign ( resid 78 and name HD1#
	 )
       ( resid 79 and name HG12
	 ) 4.7 0.9 0.9 volume=25805462.969 peak=1938 ppm1=0.819 ppm2=0.128

assign ( resid 78 and name HD2#
	 )
       ( resid 78 and name HD1#
	 ) 2.5 0.5 0.5 volume=773600268.000 peak=1939 ppm1=1.044 ppm2=0.819

assign ( resid 78 and name HD1#
	 )
       ( resid 74 and name HB2
	 ) 2.8 0.6 0.6 volume=595567125.500 peak=1940 ppm1=0.817 ppm2=1.365

assign ( resid 78 and name HD1#
	 )
       ( resid 88 and name HB
	 ) 3.9 0.8 0.8 volume=78523732.750 peak=1941 ppm1=0.818 ppm2=2.304

assign ( resid 78 and name HD1#
	 )
       ( resid 78 and name HB2
	 ) 3.1 0.6 0.6 volume=324117262.000 peak=1942 ppm1=0.817 ppm2=2.112

assign ( resid 78 and name HD1#
	 )
       ( resid 78 and name HB3
	 ) 3.1 0.6 0.6 volume=306572722.500 peak=1943 ppm1=0.818 ppm2=1.767

assign ( resid 78 and name HD1#
	 )
       ( resid 91 and name HB2
	 ) 4.8 1.0 1.0 volume=21919093.344 peak=1944 ppm1=0.814 ppm2=3.014

assign ( resid 78 and name HD1#
	 )
       ( resid 88 and name HA
	 ) 4.6 0.9 0.9 volume=28125311.531 peak=1945 ppm1=0.817 ppm2=3.417

assign ( resid 79 and name HA
	 )
       ( resid 78 and name HD1#
	 ) 4.2 0.8 0.8 volume=25992290.473 peak=1946 ppm1=3.844 ppm2=0.802

assign ( resid 78 and name HD1#
	 )
       ( resid 66 and name HA
	 ) 4.8 1.0 1.0 volume=21887097.242 peak=1947 ppm1=0.819 ppm2=4.162

assign ( resid 60 and name HD1#
	 )
       ( resid 64 and name H
	 ) 4.4 0.9 0.9 volume=34870723.375 peak=1949 ppm1=1.065 ppm2=8.803

assign ( resid 60 and name HD1#
	 )
       ( resid 63 and name HE
	 ) 4.1 0.8 0.8 volume=56357568.750 peak=1950 ppm1=1.061 ppm2=7.051

assign ( resid 26 and name HD1#
	 )
       ( resid 30 and name HE21
	 ) 3.8 0.8 0.8 volume=91908717.125 peak=1953 ppm1=0.929 ppm2=6.906

assign ( resid 26 and name HD1#
	 )
       ( resid 27 and name H
	 ) 3.7 0.7 0.7 volume=97749364.500 peak=1954 ppm1=0.930 ppm2=7.977

assign ( resid 26 and name HD1#
	 )
       ( resid 29 and name H
	 ) 4.3 0.9 0.9 volume=44742196.250 peak=1955 ppm1=0.929 ppm2=9.307

assign ( resid 26 and name HD1#
	 )
       ( resid 26 and name HA
	 ) 2.7 0.5 0.5 volume=691810996.000 peak=1956 ppm1=0.931 ppm2=4.343

assign ( resid 26 and name HD1#
	 )
       ( resid 27 and name HA
	 ) 4.3 0.9 0.9 volume=40330995.344 peak=1957 ppm1=0.931 ppm2=3.454

assign ( resid 26 and name HD1#
	 )
       ( resid 30 and name HG2
	 or resid 30 and name HB2
	 ) 2.9 0.6 0.6 volume=454107434.000 peak=1959 ppm1=0.926 ppm2=2.008

assign ( resid 92 and name HD2#
	 )
       ( resid 24 and name H
	 or resid 88 and name H
	 or resid 89 and name H
	 ) 4.0 0.8 0.8 volume=61373847.812 peak=1962 ppm1=0.732 ppm2=8.565

assign ( resid 92 and name HD2#
	 )
       ( resid 92 and name H
	 ) 3.0 0.6 0.6 volume=389601218.500 peak=1963 ppm1=0.732 ppm2=8.442

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name H
	 ) 3.0 0.6 0.6 volume=378374949.500 peak=1964 ppm1=0.748 ppm2=7.613

assign ( resid 11 and name HD1#
	 )
       ( resid 8 and name H
	 ) 3.7 0.7 0.7 volume=105052258.750 peak=1965 ppm1=0.750 ppm2=8.016

assign ( resid 43 and name HB3
	 )
       ( resid 44 and name H
	 ) 3.6 0.7 0.7 volume=113338218.750 peak=1966 ppm1=1.433 ppm2=8.322

assign ( resid 43 and name HB2
	 )
       ( resid 44 and name H
	 ) 3.9 0.8 0.8 volume=71670198.875 peak=1967 ppm1=1.788 ppm2=8.328

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name H
	 ) 3.4 0.7 0.7 volume=166574039.500 peak=1968 ppm1=1.433 ppm2=7.928

assign ( resid 78 and name HB2
	 )
       ( resid 74 and name HB2
	 ) 3.5 0.7 0.7 volume=150125629.500 peak=1969 ppm1=2.125 ppm2=1.378

assign ( resid 78 and name HB3
	 )
       ( resid 78 and name HD2#
	 ) 3.3 0.7 0.7 volume=205152139.000 peak=1972 ppm1=1.756 ppm2=1.054

assign ( resid 78 and name HB3
	 )
       ( resid 59 and name HB#
	 or resid 74 and name HB2
	 ) 3.2 0.6 0.6 volume=228848494.000 peak=1973 ppm1=1.757 ppm2=1.383

assign ( resid 78 and name HB2
	 )
       ( resid 75 and name HB2
	 ) 4.3 0.9 0.9 volume=39785172.125 peak=1975 ppm1=2.118 ppm2=3.686

assign ( resid 78 and name HB3
	 )
       ( resid 79 and name H
	 ) 3.2 0.6 0.6 volume=270607800.000 peak=1976 ppm1=1.752 ppm2=7.634

assign ( resid 19 and name HG3
	 )
       ( resid 18 and name H
	 ) 4.6 0.9 0.9 volume=28967020.875 peak=1979 ppm1=2.876 ppm2=7.601

assign ( resid 67 and name HG3
	 )
       ( resid 74 and name HB2
	 ) 4.4 0.9 0.9 volume=34286531.375 peak=1980 ppm1=2.863 ppm2=1.354

assign ( resid 90 and name HG3
	 )
       ( resid 93 and name HD2#
	 ) 4.0 0.8 0.8 volume=67777825.812 peak=1981 ppm1=2.235 ppm2=0.811

assign ( resid 90 and name HG3
	 )
       ( resid 89 and name H
	 ) 4.5 0.9 0.9 volume=31796679.938 peak=1982 ppm1=2.229 ppm2=8.555

assign ( resid 94 and name HG3
	 )
       ( resid 94 and name H
	 ) 3.2 0.6 0.6 volume=233048370.500 peak=1983 ppm1=2.467 ppm2=7.586

assign ( resid 94 and name HG2
	 )
       ( resid 94 and name H
	 ) 3.1 0.6 0.6 volume=298684353.000 peak=1984 ppm1=2.314 ppm2=7.584

assign ( resid 94 and name HG3
	 )
       ( resid 95 and name H
	 ) 4.5 0.9 0.9 volume=33303314.438 peak=1985 ppm1=2.469 ppm2=7.468

assign ( resid 94 and name HG3
	 )
       ( resid 94 and name HA
	 ) 3.1 0.6 0.6 volume=284376763.500 peak=1986 ppm1=2.465 ppm2=4.076

assign ( resid 94 and name HG2
	 )
       ( resid 94 and name HG3
	 ) 1.9 0.2 0.4 volume=3969179508.000 peak=1988 ppm1=2.315 ppm2=2.463

assign ( resid 99 and name HG12
	 )
       ( resid 99 and name HB
	 ) 2.8 0.6 0.6 volume=592960402.000 peak=1989 ppm1=1.218 ppm2=1.940

assign ( resid 50 and name HG3
	 )
       ( resid 51 and name H
	 ) 4.3 0.9 0.9 volume=40898307.625 peak=1991 ppm1=1.506 ppm2=8.075

assign ( resid 25 and name HG2
	 )
       ( resid 29 and name H
	 ) 4.5 0.9 0.9 volume=33717434.156 peak=1992 ppm1=1.485 ppm2=9.299

assign ( resid 83 and name HG3
	 )
       ( resid 84 and name H
	 ) 4.0 0.8 0.8 volume=64351780.625 peak=1993 ppm1=2.052 ppm2=7.332

assign ( resid 83 and name HG3
	 )
       ( resid 83 and name HA
	 ) 4.4 0.9 0.9 volume=36640087.438 peak=1994 ppm1=2.053 ppm2=5.095

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HD2
	 ) 4.3 0.9 0.9 volume=42506501.125 peak=1995 ppm1=3.415 ppm2=6.189

assign ( resid 27 and name HA
	 )
       ( resid 23 and name HA
	 or resid 30 and name HA
	 or resid 66 and name HA
	 ) 4.0 0.8 0.8 volume=61750838.375 peak=1996 ppm1=3.430 ppm2=4.119

assign ( resid 88 and name HA
	 )
       ( resid 87 and name HA
	 ) 4.1 0.8 0.8 volume=54298582.875 peak=1997 ppm1=3.415 ppm2=4.219

assign ( resid 27 and name HA
	 )
       ( resid 26 and name HD2#
	 or resid 66 and name HD2#
	 or resid 92 and name HD2#
	 ) 2.6 0.5 0.5 volume=841153976.000 peak=1998 ppm1=3.436 ppm2=0.775

assign ( resid 27 and name HA
	 )
       ( resid 26 and name HG
	 or resid 31 and name HB#
	 ) 3.8 0.8 0.8 volume=88986172.750 peak=1999 ppm1=3.435 ppm2=1.645

assign ( resid 27 and name HA
	 )
       ( resid 66 and name HG
	 ) 4.3 0.9 0.9 volume=40553819.500 peak=2000 ppm1=3.438 ppm2=1.853

assign ( resid 27 and name HA
	 )
       ( resid 30 and name HB2
	 ) 3.3 0.7 0.7 volume=216259897.500 peak=2001 ppm1=3.437 ppm2=2.024

assign ( resid 27 and name HA
	 )
       ( resid 23 and name HB
	 or resid 24 and name HA
	 or resid 89 and name HA
	 ) 4.4 0.9 0.9 volume=36608692.250 peak=2004 ppm1=3.429 ppm2=3.769

assign ( resid 27 and name HA
	 )
       ( resid 27 and name H
	 ) 3.1 0.6 0.6 volume=283207621.500 peak=2005 ppm1=3.437 ppm2=7.963

assign ( resid 27 and name HA
	 )
       ( resid 30 and name H
	 ) 3.7 0.7 0.7 volume=102195339.375 peak=2006 ppm1=3.436 ppm2=8.314

assign ( resid 27 and name HA
	 )
       ( resid 31 and name H
	 ) 4.0 0.8 0.8 volume=61377221.375 peak=2007 ppm1=3.437 ppm2=8.902

assign ( resid 23 and name HA
	 )
       ( resid 7 and name HD1#
	 or resid 7 and name HD2#
	 or resid 22 and name HG1#
	 or resid 26 and name HD1#
	 ) 3.6 0.7 0.7 volume=122806489.000 peak=2008 ppm1=4.085 ppm2=0.899

assign ( resid 99 and name HA
	 )
       ( resid 100 and name HA3
	 ) 4.2 0.8 0.8 volume=45653485.344 peak=2009 ppm1=4.343 ppm2=3.835

assign ( resid 96 and name HG2#
	 )
       ( resid 97 and name HB2
	 ) 3.9 0.8 0.8 volume=75090673.562 peak=2011 ppm1=0.907 ppm2=2.269

assign ( resid 96 and name HB
	 )
       ( resid 96 and name HG2#
	 ) 2.2 0.4 0.4 volume=2068790248.000 peak=2012 ppm1=1.922 ppm2=0.909

assign ( resid 96 and name HG2#
	 )
       ( resid 96 and name HG12
	 ) 2.5 0.5 0.5 volume=967007255.000 peak=2013 ppm1=0.910 ppm2=1.236

assign ( resid 99 and name HG2#
	 )
       ( resid 99 and name HG13
	 ) 2.8 0.6 0.6 volume=538617748.000 peak=2014 ppm1=0.906 ppm2=1.431

assign ( resid 96 and name HG2#
	 )
       ( resid 96 and name HG13
	 ) 3.0 0.6 0.6 volume=369014385.500 peak=2015 ppm1=0.913 ppm2=1.634

assign ( resid 89 and name HB#
	 )
       ( resid 89 and name H
	 ) 2.4 0.5 0.5 volume=1261869392.000 peak=2016 ppm1=1.402 ppm2=8.558

assign ( resid 89 and name HB#
	 )
       ( resid 92 and name H
	 ) 4.1 0.8 0.8 volume=56458388.562 peak=2017 ppm1=1.403 ppm2=8.422

assign ( resid 89 and name HB#
	 )
       ( resid 23 and name H
	 ) 4.1 0.8 0.8 volume=57080527.812 peak=2018 ppm1=1.398 ppm2=8.049

assign ( resid 89 and name HB#
	 )
       ( resid 27 and name H
	 ) 3.9 0.8 0.8 volume=70676072.000 peak=2019 ppm1=1.406 ppm2=7.963

assign ( resid 89 and name HB#
	 )
       ( resid 90 and name H
	 ) 2.9 0.6 0.6 volume=429199513.000 peak=2020 ppm1=1.402 ppm2=7.816

assign ( resid 89 and name HB#
	 )
       ( resid 25 and name H
	 or resid 93 and name H
	 ) 3.7 0.7 0.7 volume=101371214.375 peak=2021 ppm1=1.401 ppm2=7.680

assign ( resid 89 and name HB#
	 )
       ( resid 85 and name HA
	 ) 3.1 0.6 0.6 volume=282451042.500 peak=2022 ppm1=1.402 ppm2=4.105

assign ( resid 89 and name HB#
	 )
       ( resid 86 and name HA
	 ) 3.0 0.6 0.6 volume=321114886.000 peak=2023 ppm1=1.402 ppm2=3.937

assign ( resid 89 and name HA
	 )
       ( resid 89 and name HB#
	 ) 2.4 0.5 0.5 volume=1255461346.000 peak=2024 ppm1=3.800 ppm2=1.405

assign ( resid 89 and name HB#
	 )
       ( resid 27 and name HA
	 or resid 88 and name HA
	 ) 4.1 0.8 0.8 volume=52093705.625 peak=2025 ppm1=1.399 ppm2=3.422

assign ( resid 89 and name HB#
	 )
       ( resid 88 and name HB
	 ) 3.3 0.7 0.7 volume=202289029.000 peak=2026 ppm1=1.403 ppm2=2.291

assign ( resid 89 and name HB#
	 )
       ( resid 90 and name HB2
	 ) 3.4 0.7 0.7 volume=161367201.500 peak=2027 ppm1=1.401 ppm2=2.105

assign ( resid 89 and name HB#
	 )
       ( resid 20 and name HB2
	 or resid 24 and name HB2
	 ) 3.4 0.7 0.7 volume=178240318.500 peak=2028 ppm1=1.403 ppm2=1.937

assign ( resid 89 and name HB#
	 )
       ( resid 90 and name HB3
	 or resid 92 and name HB3
	 ) 3.5 0.7 0.7 volume=152354597.250 peak=2029 ppm1=1.403 ppm2=1.985

assign ( resid 89 and name HB#
	 )
       ( resid 27 and name HG1#
	 ) 2.7 0.5 0.5 volume=624621482.000 peak=2030 ppm1=1.402 ppm2=1.090

assign ( resid 89 and name HB#
	 )
       ( resid 88 and name HG1#
	 ) 3.4 0.7 0.7 volume=174612336.500 peak=2031 ppm1=1.405 ppm2=0.897

assign ( resid 12 and name HB#
	 )
       ( resid 14 and name HD2#
	 or resid 96 and name HG2#
	 or resid 99 and name HG2#
	 ) 3.4 0.7 0.7 volume=166785822.750 peak=2032 ppm1=1.458 ppm2=0.924

assign ( resid 12 and name HB#
	 )
       ( resid 11 and name HD2#
	 or resid 11 and name HD1#
	 or resid 96 and name HD1#
	 ) 3.8 0.8 0.8 volume=94606857.125 peak=2033 ppm1=1.454 ppm2=0.770

assign ( resid 21 and name HB#
	 )
       ( resid 18 and name H
	 ) 4.8 1.0 1.0 volume=20595495.551 peak=2034 ppm1=1.582 ppm2=7.572

assign ( resid 32 and name HB#
	 )
       ( resid 37 and name HE#
	 ) 3.8 0.8 0.8 volume=80369800.750 peak=2036 ppm1=1.522 ppm2=6.838

assign ( resid 32 and name HB#
	 )
       ( resid 34 and name H
	 ) 3.9 0.8 0.8 volume=79149796.812 peak=2037 ppm1=1.530 ppm2=8.023

assign ( resid 16 and name HB#
	 )
       ( resid 17 and name H
	 ) 3.1 0.6 0.6 volume=302864498.500 peak=2038 ppm1=1.528 ppm2=8.229

assign ( resid 32 and name HB#
	 )
       ( resid 31 and name H
	 ) 3.8 0.8 0.8 volume=93513396.625 peak=2039 ppm1=1.521 ppm2=8.902

assign ( resid 16 and name HB#
	 )
       ( resid 16 and name H
	 ) 3.2 0.6 0.6 volume=235232399.500 peak=2040 ppm1=1.528 ppm2=9.091

assign ( resid 32 and name HB#
	 )
       ( resid 29 and name H
	 ) 4.4 0.9 0.9 volume=36426694.688 peak=2041 ppm1=1.527 ppm2=9.306

assign ( resid 32 and name HB#
	 )
       ( resid 30 and name HE22
	 ) 4.5 0.9 0.9 volume=30905526.594 peak=2042 ppm1=1.530 ppm2=7.163

assign ( resid 32 and name HB#
	 )
       ( resid 40 and name HB
	 ) 4.1 0.8 0.8 volume=60122014.438 peak=2043 ppm1=1.521 ppm2=4.503

assign ( resid 15 and name HB
	 )
       ( resid 16 and name HB#
	 ) 3.8 0.8 0.8 volume=54478169.938 peak=2044 ppm1=4.748 ppm2=1.551

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.4 0.5 0.5 volume=1345560540.000 peak=2046 ppm1=4.165 ppm2=1.533

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HB#
	 ) 2.4 0.5 0.5 volume=1236512778.000 peak=2047 ppm1=3.856 ppm2=1.527

assign ( resid 16 and name HB#
	 )
       ( resid 19 and name HB3
	 ) 3.9 0.8 0.8 volume=72090363.250 peak=2051 ppm1=1.527 ppm2=2.490

assign ( resid 16 and name HB#
	 )
       ( resid 19 and name HG2
	 ) 4.3 0.9 0.9 volume=43441417.734 peak=2052 ppm1=1.526 ppm2=2.231

assign ( resid 43 and name HD2#
	 )
       ( resid 32 and name HB#
	 ) 2.7 0.5 0.5 volume=708466526.000 peak=2053 ppm1=0.900 ppm2=1.520

assign ( resid 32 and name HB#
	 )
       ( resid 35 and name HD2#
	 ) 4.1 0.8 0.8 volume=58707634.375 peak=2054 ppm1=1.524 ppm2=0.643

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HG2#
	 ) 2.7 0.5 0.5 volume=711199424.000 peak=2055 ppm1=4.366 ppm2=1.255

assign ( resid 4 and name HA
	 )
       ( resid 3 and name HG2#
	 ) 3.3 0.7 0.7 volume=202082713.125 peak=2056 ppm1=4.429 ppm2=1.264

assign ( resid 4 and name HB#
	 )
       ( resid 72 and name HD2#
	 ) 3.3 0.7 0.7 volume=216315198.406 peak=2057 ppm1=1.405 ppm2=0.820

assign ( resid 59 and name HB#
	 )
       ( resid 59 and name HA
	 ) 2.5 0.5 0.5 volume=948159037.000 peak=2058 ppm1=1.410 ppm2=3.864

assign ( resid 4 and name HB#
	 )
       ( resid 4 and name HA
	 ) 2.3 0.5 0.5 volume=1429700794.000 peak=2061 ppm1=1.402 ppm2=4.430

assign ( resid 59 and name HB#
	 )
       ( resid 58 and name HA
	 or resid 58 and name HB
	 or resid 60 and name HA
	 ) 3.6 0.7 0.7 volume=123724638.559 peak=2062 ppm1=1.411 ppm2=4.144

assign ( resid 4 and name HB#
	 )
       ( resid 5 and name H
	 ) 3.6 0.7 0.7 volume=125727636.000 peak=2063 ppm1=1.403 ppm2=8.148

assign ( resid 4 and name HB#
	 )
       ( resid 4 and name H
	 ) 3.9 0.8 0.8 volume=71029501.812 peak=2064 ppm1=1.403 ppm2=8.460

assign ( resid 59 and name HB#
	 )
       ( resid 57 and name H
	 ) 4.1 0.8 0.8 volume=55800744.438 peak=2065 ppm1=1.411 ppm2=8.355

assign ( resid 4 and name HB#
	 )
       ( resid 8 and name H
	 ) 4.4 0.9 0.9 volume=36883538.301 peak=2066 ppm1=1.405 ppm2=8.023

assign ( resid 59 and name HB#
	 )
       ( resid 61 and name H
	 or resid 63 and name H
	 ) 3.4 0.7 0.7 volume=159621966.000 peak=2067 ppm1=1.409 ppm2=7.657

assign ( resid 54 and name HD#
	 )
       ( resid 59 and name HB#
	 ) 3.6 0.7 0.7 volume=115266038.625 peak=2068 ppm1=7.402 ppm2=1.422

assign ( resid 59 and name HB#
	 )
       ( resid 54 and name HE#
	 or resid 60 and name H
	 ) 2.8 0.6 0.6 volume=575231825.000 peak=2069 ppm1=1.410 ppm2=7.208

assign ( resid 59 and name HB#
	 )
       ( resid 80 and name HZ
	 ) 3.4 0.7 0.7 volume=181741188.250 peak=2070 ppm1=1.409 ppm2=7.029

assign ( resid 54 and name HB2
	 )
       ( resid 59 and name HB#
	 ) 4.1 0.8 0.8 volume=59016967.188 peak=2071 ppm1=2.836 ppm2=1.414

assign ( resid 59 and name HB#
	 )
       ( resid 54 and name HB3
	 ) 3.7 0.7 0.7 volume=96398471.875 peak=2072 ppm1=1.409 ppm2=2.666

assign ( resid 59 and name HB#
	 )
       ( resid 49 and name HB3
	 ) 4.4 0.9 0.9 volume=34764873.469 peak=2073 ppm1=1.404 ppm2=2.741

assign ( resid 59 and name HB#
	 )
       ( resid 79 and name HG13
	 ) 3.1 0.6 0.6 volume=279584181.000 peak=2075 ppm1=1.406 ppm2=0.701

assign ( resid 5 and name HA
	 )
       ( resid 5 and name H
	 ) 4.4 0.9 0.9 volume=39171969.750 peak=2076 ppm1=4.429 ppm2=8.126

assign ( resid 5 and name HA
	 )
       ( resid 7 and name H
	 ) 4.5 0.9 0.9 volume=30574098.875 peak=2077 ppm1=4.429 ppm2=8.354

assign ( resid 5 and name HB
	 )
       ( resid 4 and name HB#
	 ) 4.3 0.9 0.9 volume=42331574.742 peak=2078 ppm1=4.411 ppm2=1.395

assign ( resid 5 and name HB
	 )
       ( resid 9 and name HB2
	 ) 4.4 0.9 0.9 volume=35963433.469 peak=2079 ppm1=4.409 ppm2=3.993

assign ( resid 5 and name HG2#
	 )
       ( resid 5 and name H
	 ) 3.8 0.8 0.8 volume=91518455.625 peak=2080 ppm1=1.241 ppm2=8.151

assign ( resid 6 and name HA
	 )
       ( resid 6 and name H
	 ) 3.5 0.7 0.7 volume=150411236.750 peak=2082 ppm1=4.240 ppm2=8.236

assign ( resid 6 and name HA
	 )
       ( resid 8 and name H
	 ) 4.2 0.8 0.8 volume=46293477.250 peak=2083 ppm1=4.233 ppm2=8.021

assign ( resid 6 and name HA
	 )
       ( resid 9 and name H
	 ) 4.2 0.8 0.8 volume=45200178.500 peak=2084 ppm1=4.235 ppm2=7.899

assign ( resid 6 and name HB2
	 )
       ( resid 3 and name HA
	 ) 3.7 0.7 0.7 volume=106694482.000 peak=2085 ppm1=1.582 ppm2=4.356

assign ( resid 6 and name HB3
	 )
       ( resid 4 and name HA
	 or resid 70 and name HA
	 ) 4.1 0.8 0.8 volume=53602284.000 peak=2086 ppm1=1.678 ppm2=4.489

assign ( resid 6 and name HB3
	 )
       ( resid 8 and name H
	 ) 4.3 0.9 0.9 volume=39651552.500 peak=2087 ppm1=1.685 ppm2=8.025

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name H
	 ) 3.4 0.7 0.7 volume=168896343.250 peak=2088 ppm1=1.581 ppm2=8.255

assign ( resid 6 and name HB3
	 )
       ( resid 7 and name H
	 ) 3.4 0.7 0.7 volume=157771888.500 peak=2089 ppm1=1.679 ppm2=8.317

assign ( resid 6 and name HD2#
	 )
       ( resid 6 and name HB3
	 ) 2.4 0.5 0.5 volume=752925163.000 peak=2090 ppm1=0.932 ppm2=1.647

assign ( resid 28 and name HD1#
	 )
       ( resid 25 and name H
	 ) 4.1 0.8 0.8 volume=41371340.141 peak=2091 ppm1=0.883 ppm2=7.675

assign ( resid 6 and name HD2#
	 )
       ( resid 71 and name H
	 ) 4.4 0.9 0.9 volume=35506663.516 peak=2092 ppm1=0.940 ppm2=8.639

assign ( resid 6 and name HD2#
	 )
       ( resid 7 and name H
	 ) 3.6 0.7 0.7 volume=124982163.250 peak=2093 ppm1=0.927 ppm2=8.322

assign ( resid 57 and name HD2#
	 )
       ( resid 57 and name HA
	 ) 2.7 0.5 0.5 volume=682214558.000 peak=2094 ppm1=0.931 ppm2=4.478

assign ( resid 88 and name HG1#
	 )
       ( resid 88 and name H
	 or resid 89 and name H
	 ) 2.9 0.6 0.6 volume=443384278.000 peak=2095 ppm1=0.902 ppm2=8.548

assign ( resid 7 and name HD1#
	 )
       ( resid 10 and name H
	 ) 3.3 0.7 0.7 volume=188234188.250 peak=2096 ppm1=0.917 ppm2=7.729

assign ( resid 7 and name HD1#
	 )
       ( resid 11 and name H
	 ) 3.3 0.7 0.7 volume=225081065.000 peak=2097 ppm1=0.911 ppm2=7.633

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name H
	 ) 3.5 0.7 0.7 volume=150308424.250 peak=2098 ppm1=1.499 ppm2=7.610

assign ( resid 7 and name HB3
	 )
       ( resid 7 and name H
	 ) 3.2 0.6 0.6 volume=235165958.500 peak=2099 ppm1=1.511 ppm2=8.330

assign ( resid 7 and name HB2
	 )
       ( resid 7 and name H
	 ) 3.2 0.6 0.6 volume=253639868.500 peak=2100 ppm1=1.843 ppm2=8.327

assign ( resid 7 and name HB2
	 )
       ( resid 8 and name H
	 ) 3.6 0.7 0.7 volume=123025311.250 peak=2101 ppm1=1.842 ppm2=8.020

assign ( resid 7 and name HB3
	 )
       ( resid 8 and name H
	 ) 3.9 0.8 0.8 volume=77752023.500 peak=2102 ppm1=1.510 ppm2=8.022

assign ( resid 7 and name HB2
	 )
       ( resid 7 and name HA
	 ) 3.2 0.6 0.6 volume=257901811.000 peak=2104 ppm1=1.843 ppm2=4.181

assign ( resid 7 and name HB3
	 )
       ( resid 7 and name HA
	 ) 3.2 0.6 0.6 volume=265666502.000 peak=2105 ppm1=1.507 ppm2=4.182

assign ( resid 7 and name HB3
	 )
       ( resid 4 and name HA
	 ) 3.9 0.8 0.8 volume=81016806.500 peak=2106 ppm1=1.510 ppm2=4.507

assign ( resid 7 and name HB3
	 )
       ( resid 7 and name HB2
	 ) 2.5 0.5 0.5 volume=963930764.000 peak=2107 ppm1=1.513 ppm2=1.841

assign ( resid 7 and name HB2
	 )
       ( resid 70 and name HG2#
	 ) 3.4 0.7 0.7 volume=158754633.750 peak=2109 ppm1=1.843 ppm2=1.292

assign ( resid 7 and name HB3
	 )
       ( resid 8 and name HG2#
	 or resid 70 and name HG2#
	 ) 3.5 0.7 0.7 volume=151986486.500 peak=2110 ppm1=1.514 ppm2=1.295

assign ( resid 7 and name HB2
	 )
       ( resid 7 and name HD2#
	 ) 2.8 0.6 0.6 volume=574635636.000 peak=2111 ppm1=1.842 ppm2=0.878

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HD2#
	 ) 2.7 0.5 0.5 volume=695462991.000 peak=2112 ppm1=1.502 ppm2=0.762

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name HA
	 ) 2.5 0.5 0.5 volume=1078619843.000 peak=2113 ppm1=0.884 ppm2=4.218

assign ( resid 43 and name HD2#
	 )
       ( resid 40 and name HA
	 ) 3.0 0.6 0.6 volume=261982551.750 peak=2115 ppm1=0.900 ppm2=4.229

assign ( resid 43 and name HD2#
	 )
       ( resid 40 and name HB
	 or resid 42 and name HA
	 or resid 43 and name HA
	 ) 3.3 0.7 0.7 volume=187986575.750 peak=2116 ppm1=0.901 ppm2=4.503

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name HA
	 ) 4.1 0.8 0.8 volume=55055845.688 peak=2117 ppm1=0.898 ppm2=4.736

assign ( resid 43 and name HD2#
	 )
       ( resid 32 and name HA
	 ) 2.9 0.6 0.6 volume=465832603.000 peak=2118 ppm1=0.900 ppm2=3.853

assign ( resid 57 and name HD2#
	 )
       ( resid 57 and name HB3
	 ) 2.5 0.5 0.5 volume=1207652081.000 peak=2120 ppm1=0.930 ppm2=1.743

assign ( resid 93 and name HD2#
	 )
       ( resid 93 and name H
	 ) 3.1 0.6 0.6 volume=222346700.500 peak=2121 ppm1=0.813 ppm2=7.654

assign ( resid 93 and name HD2#
	 )
       ( resid 20 and name H
	 ) 3.6 0.7 0.7 volume=131681773.000 peak=2122 ppm1=0.814 ppm2=8.011

assign ( resid 62 and name HD1#
	 )
       ( resid 63 and name HA
	 or resid 65 and name HB2
	 ) 3.3 0.7 0.7 volume=213386916.000 peak=2125 ppm1=0.900 ppm2=3.619

assign ( resid 7 and name HD1#
	 )
       ( resid 7 and name HB3
	 ) 2.2 0.4 0.4 volume=2287608070.000 peak=2127 ppm1=0.921 ppm2=1.546

assign ( resid 7 and name HD1#
	 )
       ( resid 10 and name HB3
	 ) 2.6 0.5 0.5 volume=947302874.000 peak=2128 ppm1=0.915 ppm2=1.951

assign ( resid 88 and name HG1#
	 )
       ( resid 88 and name HG2#
	 ) 2.3 0.5 0.5 volume=1929438752.000 peak=2129 ppm1=0.900 ppm2=1.314

assign ( resid 62 and name HD1#
	 )
       ( resid 79 and name HD1#
	 ) 3.5 0.7 0.7 volume=136146553.000 peak=2130 ppm1=0.896 ppm2=0.013

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HG2#
	 ) 2.3 0.5 0.5 volume=1225625612.000 peak=2131 ppm1=4.104 ppm2=1.301

assign ( resid 17 and name HB
	 )
       ( resid 16 and name HB#
	 ) 3.9 0.8 0.8 volume=80697847.125 peak=2132 ppm1=4.101 ppm2=1.540

assign ( resid 17 and name HB
	 )
       ( resid 18 and name HB2
	 ) 3.8 0.8 0.8 volume=90615631.250 peak=2133 ppm1=4.100 ppm2=2.372

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HA
	 ) 2.8 0.6 0.6 volume=574427169.000 peak=2134 ppm1=4.102 ppm2=3.968

assign ( resid 17 and name HB
	 )
       ( resid 19 and name H
	 ) 4.4 0.9 0.9 volume=34600453.125 peak=2135 ppm1=4.103 ppm2=9.150

assign ( resid 20 and name HG2
	 )
       ( resid 20 and name HG3
	 ) 2.4 0.5 0.5 volume=994558019.000 peak=2136 ppm1=1.751 ppm2=1.509

assign ( resid 20 and name HG2
	 )
       ( resid 20 and name HB2
	 ) 3.0 0.6 0.6 volume=395826238.922 peak=2137 ppm1=1.751 ppm2=1.950

assign ( resid 25 and name HB2
	 )
       ( resid 26 and name H
	 ) 3.4 0.7 0.7 volume=176579296.750 peak=2138 ppm1=1.980 ppm2=7.795

assign ( resid 25 and name HB3
	 )
       ( resid 26 and name H
	 ) 3.4 0.7 0.7 volume=161538515.375 peak=2139 ppm1=1.884 ppm2=7.794

assign ( resid 50 and name HB3
	 )
       ( resid 51 and name H
	 ) 3.3 0.7 0.7 volume=210498772.250 peak=2140 ppm1=1.984 ppm2=8.085

assign ( resid 25 and name HB3
	 )
       ( resid 22 and name HG2#
	 ) 4.1 0.8 0.8 volume=60162716.250 peak=2141 ppm1=1.887 ppm2=1.098

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HG2
	 ) 2.9 0.6 0.6 volume=328340432.000 peak=2142 ppm1=3.985 ppm2=1.508

assign ( resid 25 and name HG2
	 )
       ( resid 22 and name HA
	 ) 4.0 0.8 0.8 volume=60942763.375 peak=2143 ppm1=1.498 ppm2=3.716

assign ( resid 25 and name HG2
	 )
       ( resid 25 and name H
	 ) 3.6 0.7 0.7 volume=131069959.000 peak=2144 ppm1=1.496 ppm2=7.690

assign ( resid 25 and name HG2
	 )
       ( resid 26 and name H
	 ) 3.7 0.7 0.7 volume=107243331.250 peak=2145 ppm1=1.500 ppm2=7.781

assign ( resid 48 and name HB2
	 )
       ( resid 48 and name H
	 ) 3.6 0.7 0.7 volume=122439867.500 peak=2146 ppm1=4.401 ppm2=8.834

assign ( resid 48 and name HA
	 )
       ( resid 85 and name HD2
	 ) 4.2 0.8 0.8 volume=50606504.625 peak=2147 ppm1=4.623 ppm2=3.800

assign ( resid 46 and name HA
	 )
       ( resid 86 and name HB2
	 ) 4.1 0.8 0.8 volume=58548123.125 peak=2148 ppm1=4.622 ppm2=2.699

assign ( resid 48 and name HA
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HG2
	 ) 4.2 0.8 0.8 volume=48994968.812 peak=2149 ppm1=4.622 ppm2=1.962

assign ( resid 48 and name HB3
	 )
       ( resid 50 and name HB2
	 ) 4.2 0.8 0.8 volume=47335274.562 peak=2150 ppm1=4.038 ppm2=1.872

assign ( resid 85 and name HA
	 )
       ( resid 49 and name HD#
	 ) 4.4 0.9 0.9 volume=36350612.031 peak=2151 ppm1=4.090 ppm2=6.917

assign ( resid 85 and name HA
	 )
       ( resid 84 and name HB
	 ) 4.4 0.9 0.9 volume=36781205.438 peak=2152 ppm1=4.087 ppm2=4.410

assign ( resid 85 and name HA
	 )
       ( resid 88 and name HA
	 ) 4.4 0.9 0.9 volume=35932924.062 peak=2153 ppm1=4.089 ppm2=3.417

assign ( resid 83 and name HG2
	 )
       ( resid 84 and name H
	 ) 4.0 0.8 0.8 volume=63567704.750 peak=2154 ppm1=1.943 ppm2=7.335

assign ( resid 84 and name HG2#
	 )
       ( resid 48 and name H
	 ) 3.7 0.7 0.7 volume=96858287.250 peak=2155 ppm1=0.997 ppm2=8.901

assign ( resid 84 and name HG2#
	 )
       ( resid 49 and name H
	 or resid 87 and name H
	 ) 3.4 0.7 0.7 volume=160557458.750 peak=2156 ppm1=0.999 ppm2=8.228

assign ( resid 84 and name HG2#
	 )
       ( resid 47 and name H
	 ) 4.7 0.9 0.9 volume=24306119.293 peak=2157 ppm1=0.999 ppm2=7.539

assign ( resid 84 and name HG2#
	 )
       ( resid 49 and name HE#
	 ) 4.4 0.9 0.9 volume=36862587.812 peak=2158 ppm1=0.997 ppm2=7.003

assign ( resid 84 and name HG2#
	 )
       ( resid 46 and name HA
	 or resid 48 and name HA
	 ) 3.0 0.6 0.6 volume=382549347.500 peak=2160 ppm1=0.998 ppm2=4.625

assign ( resid 84 and name HG2#
	 )
       ( resid 45 and name HB
	 or resid 48 and name HB3
	 ) 3.6 0.7 0.7 volume=126425048.750 peak=2163 ppm1=1.000 ppm2=4.042

assign ( resid 84 and name HG2#
	 )
       ( resid 86 and name HB3
	 ) 4.4 0.9 0.9 volume=34985299.074 peak=2164 ppm1=1.002 ppm2=2.902

assign ( resid 84 and name HG2#
	 )
       ( resid 86 and name HB2
	 ) 4.5 0.9 0.9 volume=32972572.250 peak=2165 ppm1=0.999 ppm2=2.704

assign ( resid 84 and name HG2#
	 )
       ( resid 85 and name HD3
	 ) 3.7 0.7 0.7 volume=103738477.875 peak=2167 ppm1=0.999 ppm2=2.505

assign ( resid 84 and name HG2#
	 )
       ( resid 83 and name HG3
	 ) 3.6 0.7 0.7 volume=130371482.500 peak=2168 ppm1=1.000 ppm2=2.059

assign ( resid 84 and name HG2#
	 )
       ( resid 83 and name HB2
	 ) 3.2 0.6 0.6 volume=241424961.000 peak=2169 ppm1=1.000 ppm2=1.962

assign ( resid 27 and name HG2#
	 )
       ( resid 85 and name HA
	 ) 2.8 0.6 0.6 volume=569494157.000 peak=2171 ppm1=1.153 ppm2=4.094

assign ( resid 79 and name HA
	 )
       ( resid 80 and name H
	 ) 3.5 0.7 0.7 volume=144865925.750 peak=2172 ppm1=3.846 ppm2=7.592

assign ( resid 96 and name HA
	 )
       ( resid 96 and name HG13
	 ) 3.0 0.6 0.6 volume=345191930.500 peak=2173 ppm1=4.331 ppm2=1.646

assign ( resid 96 and name HG13
	 )
       ( resid 96 and name H
	 ) 3.0 0.6 0.6 volume=346024643.000 peak=2175 ppm1=1.648 ppm2=7.311

assign ( resid 96 and name HG13
	 )
       ( resid 97 and name HD3
	 ) 4.2 0.8 0.8 volume=51335807.000 peak=2177 ppm1=1.642 ppm2=3.685

assign ( resid 96 and name HG12
	 )
       ( resid 97 and name HD3
	 ) 3.7 0.7 0.7 volume=51176248.781 peak=2178 ppm1=1.221 ppm2=3.676

assign ( resid 96 and name HG12
	 )
       ( resid 95 and name HB3
	 ) 4.4 0.9 0.9 volume=36179833.430 peak=2179 ppm1=1.232 ppm2=2.262

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name H
	 ) 3.3 0.7 0.7 volume=203522975.500 peak=2181 ppm1=0.731 ppm2=7.311

assign ( resid 96 and name HD1#
	 )
       ( resid 8 and name H
	 ) 4.0 0.8 0.8 volume=64012697.938 peak=2182 ppm1=0.732 ppm2=8.023

assign ( resid 96 and name HD1#
	 )
       ( resid 11 and name H
	 ) 4.0 0.8 0.8 volume=61388320.312 peak=2183 ppm1=0.732 ppm2=7.625

assign ( resid 96 and name HD1#
	 )
       ( resid 95 and name H
	 ) 4.1 0.8 0.8 volume=55616958.000 peak=2184 ppm1=0.729 ppm2=7.468

assign ( resid 96 and name HD1#
	 )
       ( resid 70 and name HA
	 or resid 97 and name HA
	 ) 4.3 0.9 0.9 volume=40568640.125 peak=2185 ppm1=0.729 ppm2=4.485

assign ( resid 96 and name HD1#
	 )
       ( resid 12 and name HA
	 or resid 16 and name HA
	 or resid 70 and name HB
	 ) 3.6 0.7 0.7 volume=129507557.000 peak=2187 ppm1=0.731 ppm2=4.150

assign ( resid 97 and name HD3
	 )
       ( resid 96 and name HD1#
	 ) 3.3 0.7 0.7 volume=211357061.000 peak=2189 ppm1=3.676 ppm2=0.749

assign ( resid 96 and name HD1#
	 )
       ( resid 92 and name HA
	 ) 4.2 0.8 0.8 volume=48715368.750 peak=2190 ppm1=0.731 ppm2=3.600

assign ( resid 96 and name HD1#
	 )
       ( resid 97 and name HB2
	 ) 4.0 0.8 0.8 volume=68647253.625 peak=2191 ppm1=0.732 ppm2=2.269

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HG13
	 ) 2.6 0.5 0.5 volume=921560884.000 peak=2192 ppm1=0.732 ppm2=1.648

assign ( resid 96 and name HD1#
	 )
       ( resid 12 and name HB#
	 or resid 72 and name HG
	 or resid 99 and name HG13
	 ) 3.3 0.7 0.7 volume=199193216.000 peak=2193 ppm1=0.729 ppm2=1.447

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HG12
	 ) 2.4 0.5 0.5 volume=1233469938.000 peak=2194 ppm1=0.731 ppm2=1.243

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HG2#
	 ) 2.3 0.5 0.5 volume=1743367974.000 peak=2195 ppm1=0.732 ppm2=0.881

assign ( resid 96 and name HG2#
	 )
       ( resid 97 and name HG3
	 ) 4.4 0.9 0.9 volume=34561990.844 peak=2196 ppm1=0.912 ppm2=2.076

assign ( resid 99 and name HD1#
	 )
       ( resid 19 and name HB3
	 ) 4.5 0.9 0.9 volume=31477077.500 peak=2197 ppm1=0.830 ppm2=2.461

assign ( resid 99 and name HD1#
	 )
       ( resid 97 and name HB2
	 ) 4.4 0.9 0.9 volume=34237459.000 peak=2198 ppm1=0.827 ppm2=2.270

assign ( resid 6 and name HG
	 )
       ( resid 7 and name H
	 ) 3.8 0.8 0.8 volume=85226389.438 peak=2199 ppm1=1.572 ppm2=8.331

assign ( resid 6 and name HG
	 )
       ( resid 8 and name H
	 ) 4.4 0.9 0.9 volume=38527615.906 peak=2200 ppm1=1.571 ppm2=8.023

assign ( resid 6 and name HG
	 )
       ( resid 7 and name HA
	 ) 3.4 0.7 0.7 volume=172794089.500 peak=2201 ppm1=1.577 ppm2=4.185

assign ( resid 6 and name HG
	 )
       ( resid 7 and name HB2
	 ) 3.0 0.6 0.6 volume=387716544.000 peak=2202 ppm1=1.578 ppm2=1.841

assign ( resid 43 and name HD1#
	 )
       ( resid 44 and name H
	 ) 3.6 0.7 0.7 volume=130178413.000 peak=2203 ppm1=0.834 ppm2=8.322

assign ( resid 43 and name HD1#
	 )
       ( resid 32 and name H
	 ) 4.0 0.8 0.8 volume=66901332.688 peak=2204 ppm1=0.836 ppm2=8.757

assign ( resid 43 and name HD1#
	 )
       ( resid 43 and name H
	 ) 3.6 0.7 0.7 volume=113549925.125 peak=2205 ppm1=0.834 ppm2=7.927

assign ( resid 7 and name HD2#
	 )
       ( resid 7 and name H
	 ) 3.8 0.8 0.8 volume=88478290.375 peak=2206 ppm1=0.856 ppm2=8.337

assign ( resid 17 and name HG2#
	 )
       ( resid 17 and name H
	 ) 3.5 0.7 0.7 volume=142188516.250 peak=2207 ppm1=1.302 ppm2=8.248

assign ( resid 40 and name HG2#
	 )
       ( resid 40 and name HA
	 ) 2.3 0.5 0.5 volume=1874542348.000 peak=2209 ppm1=1.288 ppm2=4.255

assign ( resid 6 and name HD1#
	 )
       ( resid 7 and name H
	 ) 3.7 0.7 0.7 volume=109811220.938 peak=2211 ppm1=0.883 ppm2=8.326

assign ( resid 6 and name HD1#
	 )
       ( resid 6 and name H
	 ) 3.6 0.7 0.7 volume=120890330.000 peak=2212 ppm1=0.885 ppm2=8.242

assign ( resid 6 and name HD2#
	 )
       ( resid 6 and name H
	 ) 3.9 0.8 0.8 volume=73889473.344 peak=2213 ppm1=0.931 ppm2=8.243

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 2.5 0.5 0.5 volume=1059952478.000 peak=2215 ppm1=4.186 ppm2=0.917

assign ( resid 7 and name HA
	 )
       ( resid 8 and name H
	 ) 3.7 0.7 0.7 volume=111380617.000 peak=2216 ppm1=4.177 ppm2=8.018

assign ( resid 7 and name HD2#
	 )
       ( resid 8 and name H
	 ) 3.8 0.8 0.8 volume=82076188.875 peak=2217 ppm1=0.855 ppm2=8.021

assign ( resid 7 and name HD2#
	 )
       ( resid 11 and name HA
	 or resid 26 and name HA
	 or resid 69 and name HA
	 ) 4.2 0.8 0.8 volume=45754548.312 peak=2218 ppm1=0.848 ppm2=4.340

assign ( resid 7 and name HD2#
	 )
       ( resid 70 and name HA
	 ) 3.9 0.8 0.8 volume=77533290.922 peak=2219 ppm1=0.851 ppm2=4.508

assign ( resid 11 and name HB3
	 )
       ( resid 12 and name H
	 ) 4.0 0.8 0.8 volume=60795285.125 peak=2220 ppm1=1.499 ppm2=7.340

assign ( resid 11 and name HB3
	 )
       ( resid 8 and name HA
	 ) 4.0 0.8 0.8 volume=62709940.000 peak=2221 ppm1=1.502 ppm2=3.721

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HB2
	 ) 2.6 0.5 0.5 volume=849887844.000 peak=2222 ppm1=1.503 ppm2=1.797

assign ( resid 11 and name HD2#
	 )
       ( resid 19 and name HA
	 ) 2.6 0.5 0.5 volume=617861185.000 peak=2223 ppm1=0.768 ppm2=3.846

assign ( resid 11 and name HD2#
	 )
       ( resid 10 and name HB2
	 ) 2.5 0.5 0.5 volume=1046130568.000 peak=2224 ppm1=0.769 ppm2=1.926

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name H
	 ) 3.3 0.7 0.7 volume=197956465.750 peak=2225 ppm1=0.898 ppm2=7.368

assign ( resid 14 and name HD2#
	 )
       ( resid 18 and name H
	 ) 3.8 0.8 0.8 volume=82042599.500 peak=2226 ppm1=0.897 ppm2=7.629

assign ( resid 14 and name HD2#
	 )
       ( resid 19 and name HE21
	 ) 4.2 0.8 0.8 volume=50931048.688 peak=2227 ppm1=0.896 ppm2=7.163

assign ( resid 43 and name HD2#
	 )
       ( resid 37 and name HE#
	 ) 3.6 0.7 0.7 volume=125267755.625 peak=2228 ppm1=0.901 ppm2=6.838

assign ( resid 43 and name HD2#
	 )
       ( resid 43 and name H
	 ) 3.9 0.8 0.8 volume=73606023.875 peak=2229 ppm1=0.897 ppm2=7.935

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HA
	 ) 3.2 0.6 0.6 volume=258362335.250 peak=2230 ppm1=0.747 ppm2=4.349

assign ( resid 11 and name HD1#
	 )
       ( resid 7 and name HA
	 ) 3.0 0.6 0.6 volume=354919262.000 peak=2231 ppm1=0.754 ppm2=4.161

assign ( resid 11 and name HD1#
	 )
       ( resid 10 and name HB2
	 ) 2.3 0.5 0.5 volume=1814929936.000 peak=2232 ppm1=0.747 ppm2=1.941

assign ( resid 11 and name HD1#
	 )
       ( resid 11 and name HB2
	 ) 2.7 0.5 0.5 volume=676325494.000 peak=2233 ppm1=0.753 ppm2=1.774

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HA
	 ) 3.3 0.7 0.7 volume=218776809.000 peak=2234 ppm1=1.790 ppm2=4.504

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name HA
	 ) 3.2 0.6 0.6 volume=253695854.500 peak=2235 ppm1=1.434 ppm2=4.505

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name H
	 ) 3.5 0.7 0.7 volume=132969046.500 peak=2236 ppm1=1.755 ppm2=7.373

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HB3
	 ) 2.9 0.6 0.6 volume=425841913.000 peak=2237 ppm1=1.907 ppm2=1.748

assign ( resid 14 and name HD1#
	 )
       ( resid 15 and name H
	 ) 3.4 0.7 0.7 volume=172843540.500 peak=2238 ppm1=0.851 ppm2=8.875

assign ( resid 14 and name HD1#
	 )
       ( resid 19 and name H
	 ) 4.0 0.8 0.8 volume=61085267.906 peak=2239 ppm1=0.851 ppm2=9.161

assign ( resid 14 and name HD1#
	 )
       ( resid 18 and name H
	 ) 4.3 0.9 0.9 volume=44619835.203 peak=2240 ppm1=0.852 ppm2=7.602

assign ( resid 14 and name HD1#
	 )
       ( resid 14 and name H
	 ) 3.3 0.7 0.7 volume=189581703.250 peak=2241 ppm1=0.852 ppm2=7.376

assign ( resid 14 and name HD1#
	 )
       ( resid 19 and name HG3
	 ) 4.1 0.8 0.8 volume=55207380.500 peak=2243 ppm1=0.851 ppm2=2.867

assign ( resid 14 and name HD1#
	 )
       ( resid 18 and name HB2
	 ) 3.2 0.6 0.6 volume=232531042.250 peak=2244 ppm1=0.851 ppm2=2.385

assign ( resid 74 and name HD2#
	 )
       ( resid 67 and name H
	 ) 3.6 0.7 0.7 volume=131365734.250 peak=2245 ppm1=0.815 ppm2=8.884

assign ( resid 14 and name HD2#
	 )
       ( resid 15 and name H
	 ) 3.9 0.8 0.8 volume=74289676.250 peak=2246 ppm1=0.901 ppm2=8.887

assign ( resid 14 and name HD2#
	 )
       ( resid 22 and name H
	 ) 4.1 0.8 0.8 volume=60145199.625 peak=2247 ppm1=0.897 ppm2=8.521

assign ( resid 14 and name HD2#
	 )
       ( resid 19 and name H
	 ) 3.9 0.8 0.8 volume=76121549.375 peak=2248 ppm1=0.899 ppm2=9.163

assign ( resid 19 and name HG3
	 )
       ( resid 14 and name HD2#
	 ) 3.5 0.7 0.7 volume=122832249.000 peak=2249 ppm1=2.865 ppm2=0.892

assign ( resid 14 and name HD2#
	 )
       ( resid 22 and name HA
	 ) 4.5 0.9 0.9 volume=30534738.328 peak=2250 ppm1=0.900 ppm2=3.722

assign ( resid 14 and name HD2#
	 )
       ( resid 18 and name HB2
	 ) 3.4 0.7 0.7 volume=171182620.000 peak=2251 ppm1=0.897 ppm2=2.387

assign ( resid 14 and name HD2#
	 )
       ( resid 19 and name HG2
	 ) 3.3 0.7 0.7 volume=204055213.000 peak=2252 ppm1=0.897 ppm2=2.266

assign ( resid 14 and name HD2#
	 )
       ( resid 18 and name HB3
	 ) 3.1 0.6 0.6 volume=291685872.500 peak=2253 ppm1=0.897 ppm2=2.062

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name HB2
	 ) 2.9 0.6 0.6 volume=436034001.500 peak=2254 ppm1=0.897 ppm2=1.910

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name HB3
	 ) 2.6 0.5 0.5 volume=772359188.000 peak=2255 ppm1=0.898 ppm2=1.772

assign ( resid 26 and name HA
	 )
       ( resid 25 and name HG2
	 ) 4.3 0.9 0.9 volume=42782665.000 peak=2257 ppm1=4.334 ppm2=1.485

assign ( resid 26 and name HB3
	 )
       ( resid 26 and name HG
	 ) 2.9 0.6 0.6 volume=337377478.000 peak=2258 ppm1=2.072 ppm2=1.617

assign ( resid 57 and name HB2
	 )
       ( resid 61 and name HG3
	 ) 4.4 0.9 0.9 volume=39149825.416 peak=2259 ppm1=2.066 ppm2=2.214

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name HD2#
	 ) 2.9 0.6 0.6 volume=457642934.000 peak=2260 ppm1=1.732 ppm2=0.772

assign ( resid 26 and name HB3
	 )
       ( resid 26 and name HD2#
	 ) 2.7 0.5 0.5 volume=678843318.000 peak=2261 ppm1=2.071 ppm2=0.771

assign ( resid 93 and name HD2#
	 )
       ( resid 90 and name H
	 ) 4.0 0.8 0.8 volume=60577760.125 peak=2262 ppm1=0.784 ppm2=7.786

assign ( resid 66 and name HD2#
	 )
       ( resid 65 and name HD2
	 ) 3.8 0.8 0.8 volume=94514566.500 peak=2263 ppm1=0.783 ppm2=7.187

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HD2#
	 ) 2.5 0.5 0.5 volume=991804340.000 peak=2264 ppm1=3.990 ppm2=0.788

assign ( resid 93 and name HA
	 )
       ( resid 93 and name HD2#
	 ) 2.4 0.5 0.5 volume=1428245508.000 peak=2265 ppm1=3.891 ppm2=0.799

assign ( resid 28 and name HG
	 )
       ( resid 28 and name HB2
	 ) 2.8 0.6 0.6 volume=612670352.000 peak=2266 ppm1=1.807 ppm2=1.968

assign ( resid 74 and name HD2#
	 )
       ( resid 74 and name H
	 ) 3.8 0.8 0.8 volume=88108514.875 peak=2267 ppm1=0.814 ppm2=9.296

assign ( resid 28 and name HD1#
	 )
       ( resid 45 and name H
	 ) 4.7 0.9 0.9 volume=24553285.662 peak=2268 ppm1=0.883 ppm2=8.128

assign ( resid 28 and name HD1#
	 )
       ( resid 29 and name HB2
	 ) 4.4 0.9 0.9 volume=37299588.375 peak=2269 ppm1=0.893 ppm2=2.625

assign ( resid 28 and name HD2#
	 )
       ( resid 29 and name H
	 ) 3.9 0.8 0.8 volume=73743941.125 peak=2270 ppm1=0.782 ppm2=9.298

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name H
	 ) 3.2 0.6 0.6 volume=260928217.750 peak=2271 ppm1=0.784 ppm2=8.380

assign ( resid 54 and name HZ
	 )
       ( resid 35 and name HB2
	 ) 3.6 0.7 0.7 volume=35709270.375 peak=2272 ppm1=7.353 ppm2=1.419

assign ( resid 54 and name HB3
	 )
       ( resid 35 and name HD1#
	 ) 4.7 0.9 0.9 volume=24888171.359 peak=2273 ppm1=2.679 ppm2=0.110

assign ( resid 74 and name HD2#
	 )
       ( resid 91 and name HD2
	 ) 4.3 0.9 0.9 volume=43146040.164 peak=2274 ppm1=0.810 ppm2=6.192

assign ( resid 43 and name HB2
	 )
       ( resid 37 and name HE#
	 ) 4.4 0.9 0.9 volume=38244712.062 peak=2275 ppm1=1.791 ppm2=6.837

assign ( resid 43 and name HB3
	 )
       ( resid 40 and name HA
	 ) 4.5 0.9 0.9 volume=33391812.875 peak=2276 ppm1=1.434 ppm2=4.233

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HB3
	 ) 2.5 0.5 0.5 volume=1223776750.000 peak=2278 ppm1=1.790 ppm2=1.435

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HG
	 ) 2.7 0.5 0.5 volume=639055629.000 peak=2280 ppm1=1.788 ppm2=1.658

assign ( resid 43 and name HB3
	 )
       ( resid 28 and name HD2#
	 ) 2.9 0.6 0.6 volume=436428262.000 peak=2282 ppm1=1.433 ppm2=0.815

assign ( resid 43 and name HG
	 )
       ( resid 43 and name H
	 ) 3.4 0.7 0.7 volume=161693690.562 peak=2283 ppm1=1.649 ppm2=7.930

assign ( resid 43 and name HG
	 )
       ( resid 37 and name HD#
	 ) 4.3 0.9 0.9 volume=39607307.062 peak=2284 ppm1=1.652 ppm2=7.034

assign ( resid 43 and name HG
	 )
       ( resid 37 and name HE#
	 ) 4.2 0.8 0.8 volume=46932807.875 peak=2285 ppm1=1.655 ppm2=6.839

assign ( resid 43 and name HD1#
	 )
       ( resid 43 and name HA
	 ) 2.8 0.6 0.6 volume=587245010.000 peak=2286 ppm1=0.834 ppm2=4.505

assign ( resid 43 and name HD1#
	 )
       ( resid 37 and name HD#
	 ) 3.4 0.7 0.7 volume=181589699.250 peak=2287 ppm1=0.834 ppm2=7.028

assign ( resid 43 and name HD1#
	 )
       ( resid 37 and name HE#
	 ) 3.1 0.6 0.6 volume=298998848.000 peak=2288 ppm1=0.834 ppm2=6.842

assign ( resid 43 and name HD1#
	 )
       ( resid 40 and name HA
	 ) 4.2 0.8 0.8 volume=45581522.812 peak=2289 ppm1=0.831 ppm2=4.237

assign ( resid 43 and name HD1#
	 )
       ( resid 29 and name HA
	 or resid 52 and name HA
	 ) 4.2 0.8 0.8 volume=49195036.438 peak=2290 ppm1=0.831 ppm2=4.354

assign ( resid 43 and name HD1#
	 )
       ( resid 28 and name HA
	 ) 3.8 0.8 0.8 volume=89532481.062 peak=2291 ppm1=0.830 ppm2=3.986

assign ( resid 43 and name HD1#
	 )
       ( resid 32 and name HA
	 ) 3.3 0.7 0.7 volume=218007778.000 peak=2292 ppm1=0.831 ppm2=3.857

assign ( resid 43 and name HD1#
	 )
       ( resid 52 and name HB2
	 ) 4.2 0.8 0.8 volume=46167213.250 peak=2293 ppm1=0.833 ppm2=2.353

assign ( resid 43 and name HD1#
	 )
       ( resid 43 and name HG
	 ) 2.6 0.5 0.5 volume=838002668.000 peak=2295 ppm1=0.833 ppm2=1.663

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name HD1#
	 ) 2.9 0.6 0.6 volume=414299921.000 peak=2296 ppm1=1.433 ppm2=0.883

assign ( resid 43 and name HD2#
	 )
       ( resid 44 and name H
	 ) 3.9 0.8 0.8 volume=71768391.875 peak=2298 ppm1=0.903 ppm2=8.321

assign ( resid 52 and name HD2#
	 )
       ( resid 35 and name HD1#
	 ) 4.8 1.0 1.0 volume=21750604.832 peak=2301 ppm1=0.752 ppm2=0.072

assign ( resid 52 and name HD2#
	 )
       ( resid 47 and name H
	 ) 4.6 0.9 0.9 volume=28977058.250 peak=2302 ppm1=0.753 ppm2=7.513

assign ( resid 26 and name HB3
	 )
       ( resid 27 and name HA
	 ) 4.4 0.9 0.9 volume=34835307.438 peak=2303 ppm1=2.067 ppm2=3.434

assign ( resid 57 and name HD2#
	 )
       ( resid 57 and name H
	 ) 3.6 0.7 0.7 volume=125070044.500 peak=2304 ppm1=0.930 ppm2=8.368

assign ( resid 60 and name HA
	 )
       ( resid 64 and name H
	 ) 3.7 0.7 0.7 volume=105888378.250 peak=2305 ppm1=4.161 ppm2=8.806

assign ( resid 60 and name HA
	 )
       ( resid 59 and name HB#
	 ) 3.7 0.7 0.7 volume=101183511.375 peak=2306 ppm1=4.157 ppm2=1.406

assign ( resid 60 and name HB3
	 )
       ( resid 61 and name HG2
	 ) 4.5 0.9 0.9 volume=30491278.938 peak=2307 ppm1=1.913 ppm2=2.425

assign ( resid 60 and name HG
	 )
       ( resid 60 and name H
	 ) 3.0 0.6 0.6 volume=389056559.000 peak=2308 ppm1=1.927 ppm2=7.202

assign ( resid 60 and name HG
	 )
       ( resid 57 and name HA
	 ) 3.9 0.8 0.8 volume=77242446.375 peak=2309 ppm1=1.935 ppm2=4.480

assign ( resid 60 and name HG
	 )
       ( resid 60 and name HD2#
	 ) 2.7 0.5 0.5 volume=620260556.000 peak=2310 ppm1=1.930 ppm2=1.017

assign ( resid 60 and name HD2#
	 )
       ( resid 60 and name HB3
	 or resid 60 and name HG
	 ) 2.3 0.5 0.5 volume=1603368754.000 peak=2311 ppm1=1.008 ppm2=1.920

assign ( resid 60 and name HD2#
	 )
       ( resid 60 and name H
	 ) 3.4 0.7 0.7 volume=159356184.750 peak=2312 ppm1=1.010 ppm2=7.201

assign ( resid 60 and name HD2#
	 )
       ( resid 64 and name H
	 ) 4.7 0.9 0.9 volume=25467122.057 peak=2313 ppm1=1.012 ppm2=8.804

assign ( resid 60 and name HD2#
	 )
       ( resid 56 and name HA
	 ) 3.0 0.6 0.6 volume=332245832.500 peak=2314 ppm1=1.008 ppm2=3.999

assign ( resid 60 and name HD1#
	 )
       ( resid 59 and name H
	 ) 4.7 0.9 0.9 volume=24701724.688 peak=2315 ppm1=1.058 ppm2=9.061

assign ( resid 60 and name HD1#
	 )
       ( resid 57 and name HA
	 ) 3.5 0.7 0.7 volume=141027400.750 peak=2316 ppm1=1.063 ppm2=4.474

assign ( resid 60 and name HD1#
	 )
       ( resid 60 and name HG
	 ) 2.5 0.5 0.5 volume=1204906007.000 peak=2317 ppm1=1.064 ppm2=1.928

assign ( resid 94 and name HA
	 )
       ( resid 96 and name H
	 ) 3.8 0.8 0.8 volume=81906083.875 peak=2318 ppm1=4.068 ppm2=7.315

assign ( resid 94 and name HA
	 )
       ( resid 95 and name H
	 ) 3.4 0.7 0.7 volume=161144993.500 peak=2319 ppm1=4.070 ppm2=7.468

assign ( resid 62 and name HA
	 )
       ( resid 34 and name HG2#
	 ) 3.8 0.8 0.8 volume=83965065.750 peak=2320 ppm1=4.060 ppm2=1.018

assign ( resid 62 and name HB2
	 )
       ( resid 54 and name HD#
	 ) 4.3 0.9 0.9 volume=40836698.562 peak=2321 ppm1=1.797 ppm2=7.371

assign ( resid 62 and name HB3
	 )
       ( resid 31 and name HA
	 or resid 60 and name HA
	 or resid 61 and name HA
	 ) 4.3 0.9 0.9 volume=40494407.562 peak=2322 ppm1=1.493 ppm2=4.174

assign ( resid 62 and name HB2
	 )
       ( resid 31 and name HA
	 or resid 58 and name HB
	 or resid 60 and name HA
	 or resid 61 and name HA
	 ) 4.3 0.9 0.9 volume=44110155.562 peak=2323 ppm1=1.810 ppm2=4.171

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name HD1#
	 ) 3.1 0.6 0.6 volume=281108739.500 peak=2324 ppm1=1.802 ppm2=0.877

assign ( resid 62 and name HG
	 )
       ( resid 63 and name HA
	 ) 4.2 0.8 0.8 volume=46068719.938 peak=2326 ppm1=1.293 ppm2=3.640

assign ( resid 62 and name HG
	 )
       ( resid 54 and name HE#
	 ) 4.2 0.8 0.8 volume=46763676.375 peak=2327 ppm1=1.281 ppm2=7.217

assign ( resid 62 and name HG
	 )
       ( resid 63 and name H
	 ) 4.2 0.8 0.8 volume=47697709.094 peak=2328 ppm1=1.289 ppm2=7.641

assign ( resid 62 and name HG
	 )
       ( resid 62 and name HB2
	 ) 3.2 0.6 0.6 volume=260347785.500 peak=2329 ppm1=1.281 ppm2=1.811

assign ( resid 62 and name HB3
	 )
       ( resid 62 and name HG
	 ) 3.2 0.6 0.6 volume=239827569.500 peak=2330 ppm1=1.489 ppm2=1.279

assign ( resid 62 and name HD2#
	 )
       ( resid 79 and name HG13
	 ) 3.6 0.7 0.7 volume=121841508.375 peak=2331 ppm1=0.239 ppm2=0.679

assign ( resid 62 and name HD1#
	 )
       ( resid 54 and name HZ
	 ) 3.3 0.7 0.7 volume=197833648.000 peak=2332 ppm1=0.893 ppm2=7.351

assign ( resid 62 and name HD1#
	 )
       ( resid 54 and name HE#
	 ) 3.3 0.7 0.7 volume=216084725.500 peak=2333 ppm1=0.895 ppm2=7.203

assign ( resid 30 and name HA
	 )
       ( resid 30 and name HE21
	 ) 4.0 0.8 0.8 volume=65928332.625 peak=2335 ppm1=4.132 ppm2=6.902

assign ( resid 30 and name HA
	 )
       ( resid 65 and name HD2
	 ) 3.4 0.7 0.7 volume=166426046.250 peak=2336 ppm1=4.133 ppm2=7.188

assign ( resid 30 and name HA
	 )
       ( resid 65 and name HB2
	 ) 3.9 0.8 0.8 volume=79686204.250 peak=2337 ppm1=4.131 ppm2=3.625

assign ( resid 66 and name HA
	 )
       ( resid 27 and name HA
	 ) 4.3 0.9 0.9 volume=43129613.875 peak=2338 ppm1=4.131 ppm2=3.442

assign ( resid 66 and name HA
	 )
       ( resid 30 and name HG2
	 or resid 30 and name HB2
	 or resid 66 and name HB3
	 ) 2.6 0.5 0.5 volume=884290296.000 peak=2339 ppm1=4.134 ppm2=2.027

assign ( resid 66 and name HA
	 )
       ( resid 69 and name HB#
	 ) 2.8 0.6 0.6 volume=571231742.000 peak=2340 ppm1=4.132 ppm2=1.539

assign ( resid 66 and name HD1#
	 )
       ( resid 67 and name H
	 ) 4.0 0.8 0.8 volume=65846572.250 peak=2342 ppm1=1.068 ppm2=8.899

assign ( resid 66 and name HD1#
	 )
       ( resid 66 and name H
	 ) 3.4 0.7 0.7 volume=171354379.500 peak=2343 ppm1=1.064 ppm2=8.775

assign ( resid 66 and name HB3
	 )
       ( resid 67 and name H
	 ) 3.9 0.8 0.8 volume=79603138.500 peak=2344 ppm1=2.024 ppm2=8.894

assign ( resid 66 and name HB3
	 )
       ( resid 63 and name HA
	 ) 3.7 0.7 0.7 volume=108167265.250 peak=2345 ppm1=2.027 ppm2=3.640

assign ( resid 63 and name HA
	 )
       ( resid 66 and name HD1#
	 ) 3.6 0.7 0.7 volume=125415153.391 peak=2346 ppm1=3.637 ppm2=1.058

assign ( resid 66 and name HD1#
	 )
       ( resid 66 and name HB3
	 ) 2.7 0.5 0.5 volume=760222393.000 peak=2347 ppm1=1.063 ppm2=2.030

assign ( resid 43 and name HD2#
	 )
       ( resid 32 and name H
	 ) 3.4 0.7 0.7 volume=165810959.750 peak=2348 ppm1=0.900 ppm2=8.757

assign ( resid 74 and name HD2#
	 )
       ( resid 66 and name H
	 ) 4.0 0.8 0.8 volume=64232619.500 peak=2349 ppm1=0.816 ppm2=8.778

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HD2#
	 ) 2.6 0.5 0.5 volume=812832357.000 peak=2350 ppm1=4.446 ppm2=0.851

assign ( resid 72 and name HD2#
	 )
       ( resid 95 and name H
	 ) 4.1 0.8 0.8 volume=52695291.188 peak=2351 ppm1=0.850 ppm2=7.482

assign ( resid 72 and name HD2#
	 )
       ( resid 71 and name HA3
	 or resid 96 and name HA
	 ) 3.3 0.7 0.7 volume=220403738.500 peak=2352 ppm1=0.851 ppm2=4.325

assign ( resid 72 and name HD2#
	 )
       ( resid 71 and name HA2
	 or resid 97 and name HD2
	 ) 3.5 0.7 0.7 volume=142603456.750 peak=2353 ppm1=0.849 ppm2=3.918

assign ( resid 72 and name HD2#
	 )
       ( resid 73 and name HB3
	 ) 4.4 0.9 0.9 volume=35056684.125 peak=2354 ppm1=0.852 ppm2=2.681

assign ( resid 72 and name HD2#
	 )
       ( resid 73 and name HB2
	 ) 4.4 0.9 0.9 volume=37606399.188 peak=2355 ppm1=0.852 ppm2=2.748

assign ( resid 34 and name HB
	 )
       ( resid 34 and name HG1#
	 ) 2.4 0.5 0.5 volume=1318849896.000 peak=2356 ppm1=2.250 ppm2=0.859

assign ( resid 72 and name HD2#
	 )
       ( resid 72 and name HG
	 ) 2.5 0.5 0.5 volume=1137275394.000 peak=2357 ppm1=0.850 ppm2=1.462

assign ( resid 72 and name HB2
	 )
       ( resid 72 and name HD2#
	 ) 2.5 0.5 0.5 volume=1035197904.000 peak=2358 ppm1=1.227 ppm2=0.827

assign ( resid 74 and name HD2#
	 )
       ( resid 72 and name H
	 ) 3.3 0.7 0.7 volume=201263573.000 peak=2359 ppm1=0.800 ppm2=7.736

assign ( resid 74 and name HD2#
	 )
       ( resid 73 and name H
	 ) 3.8 0.8 0.8 volume=89348529.375 peak=2360 ppm1=0.802 ppm2=8.550

assign ( resid 92 and name HD2#
	 )
       ( resid 95 and name H
	 ) 4.0 0.8 0.8 volume=67051931.375 peak=2361 ppm1=0.797 ppm2=7.468

assign ( resid 11 and name HD1#
	 )
       ( resid 12 and name H
	 ) 4.2 0.8 0.8 volume=46204431.688 peak=2362 ppm1=0.795 ppm2=7.314

assign ( resid 92 and name HD2#
	 )
       ( resid 92 and name HA
	 ) 2.5 0.5 0.5 volume=259173834.500 peak=2363 ppm1=0.732 ppm2=3.595

assign ( resid 74 and name HD2#
	 )
       ( resid 67 and name HG2
	 ) 3.4 0.7 0.7 volume=181842027.500 peak=2365 ppm1=0.815 ppm2=2.625

assign ( resid 74 and name HD2#
	 )
       ( resid 67 and name HB3
	 or resid 95 and name HB3
	 or resid 95 and name HG2
	 ) 3.0 0.6 0.6 volume=360563178.000 peak=2366 ppm1=0.798 ppm2=2.269

assign ( resid 74 and name HD2#
	 )
       ( resid 66 and name HB3
	 ) 2.9 0.6 0.6 volume=417071200.000 peak=2367 ppm1=0.813 ppm2=2.026

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name HD2#
	 ) 2.2 0.4 0.4 volume=2049558192.000 peak=2368 ppm1=1.522 ppm2=0.815

assign ( resid 78 and name HA
	 )
       ( resid 77 and name HA
	 ) 4.5 0.9 0.9 volume=33054138.250 peak=2369 ppm1=4.026 ppm2=4.380

assign ( resid 78 and name HD2#
	 )
       ( resid 78 and name HA
	 ) 2.7 0.5 0.5 volume=727276860.000 peak=2370 ppm1=1.046 ppm2=4.039

assign ( resid 78 and name HD2#
	 )
       ( resid 75 and name HB2
	 ) 3.9 0.8 0.8 volume=70448696.062 peak=2371 ppm1=1.043 ppm2=3.681

assign ( resid 78 and name HD2#
	 )
       ( resid 82 and name HB3
	 ) 3.7 0.7 0.7 volume=98913105.750 peak=2372 ppm1=1.043 ppm2=3.120

assign ( resid 78 and name HD2#
	 )
       ( resid 88 and name HA
	 ) 3.8 0.8 0.8 volume=89907279.625 peak=2373 ppm1=1.043 ppm2=3.422

assign ( resid 78 and name HD2#
	 )
       ( resid 78 and name HB2
	 ) 2.9 0.6 0.6 volume=421878711.000 peak=2374 ppm1=1.042 ppm2=2.127

assign ( resid 78 and name HD2#
	 )
       ( resid 74 and name HB2
	 ) 2.7 0.5 0.5 volume=765663488.250 peak=2375 ppm1=1.045 ppm2=1.379

assign ( resid 92 and name HA
	 )
       ( resid 89 and name HA
	 ) 4.5 0.9 0.9 volume=31827022.781 peak=2377 ppm1=3.593 ppm2=3.832

assign ( resid 92 and name HB3
	 )
       ( resid 92 and name HA
	 ) 3.0 0.6 0.6 volume=207126908.500 peak=2378 ppm1=1.967 ppm2=3.599

assign ( resid 92 and name HB3
	 )
       ( resid 89 and name HA
	 ) 3.4 0.7 0.7 volume=128713820.750 peak=2379 ppm1=1.967 ppm2=3.805

assign ( resid 89 and name HA
	 )
       ( resid 92 and name HD1#
	 ) 2.9 0.6 0.6 volume=86573671.625 peak=2380 ppm1=3.797 ppm2=1.085

assign ( resid 92 and name HD1#
	 )
       ( resid 92 and name H
	 ) 3.4 0.7 0.7 volume=166181143.250 peak=2381 ppm1=1.066 ppm2=8.441

assign ( resid 92 and name HB3
	 )
       ( resid 92 and name H
	 ) 3.2 0.6 0.6 volume=232621123.500 peak=2382 ppm1=1.966 ppm2=8.443

assign ( resid 92 and name HD1#
	 )
       ( resid 92 and name HB3
	 ) 2.6 0.5 0.5 volume=878031046.000 peak=2383 ppm1=1.068 ppm2=1.977

assign ( resid 92 and name HB3
	 )
       ( resid 92 and name HD2#
	 ) 2.8 0.6 0.6 volume=594254334.000 peak=2385 ppm1=1.968 ppm2=0.755

assign ( resid 92 and name HD2#
	 )
       ( resid 89 and name HA
	 ) 2.9 0.6 0.6 volume=470956020.000 peak=2387 ppm1=0.735 ppm2=3.805

assign ( resid 92 and name HD2#
	 )
       ( resid 91 and name HB2
	 ) 4.3 0.9 0.9 volume=39352098.500 peak=2388 ppm1=0.731 ppm2=3.016

assign ( resid 92 and name HD2#
	 )
       ( resid 91 and name HB3
	 or resid 92 and name HG
	 ) 2.4 0.5 0.5 volume=1331332122.000 peak=2389 ppm1=0.731 ppm2=2.147

assign ( resid 92 and name HD2#
	 )
       ( resid 92 and name HD1#
	 ) 2.5 0.5 0.5 volume=1225241772.000 peak=2390 ppm1=0.733 ppm2=1.079

assign ( resid 93 and name HA
	 )
       ( resid 95 and name HB3
	 ) 4.5 0.9 0.9 volume=31399116.438 peak=2391 ppm1=3.891 ppm2=2.270

assign ( resid 96 and name HB
	 )
       ( resid 93 and name HA
	 ) 3.3 0.7 0.7 volume=204511954.250 peak=2392 ppm1=1.921 ppm2=3.908

assign ( resid 93 and name HB3
	 )
       ( resid 93 and name HB2
	 ) 2.3 0.5 0.5 volume=1439825710.000 peak=2393 ppm1=1.829 ppm2=1.492

assign ( resid 93 and name HB3
	 )
       ( resid 93 and name HD2#
	 ) 2.7 0.5 0.5 volume=740049298.000 peak=2394 ppm1=1.832 ppm2=0.810

assign ( resid 93 and name HG
	 )
       ( resid 93 and name HD2#
	 ) 2.3 0.5 0.5 volume=1635001940.000 peak=2395 ppm1=1.813 ppm2=0.796

assign ( resid 93 and name HG
	 )
       ( resid 93 and name HD1#
	 ) 3.4 0.7 0.7 volume=171449211.750 peak=2396 ppm1=1.813 ppm2=1.095

assign ( resid 93 and name HG
	 )
       ( resid 93 and name HB2
	 ) 3.0 0.6 0.6 volume=342856421.000 peak=2397 ppm1=1.813 ppm2=1.498

assign ( resid 93 and name HD2#
	 )
       ( resid 19 and name H
	 ) 4.3 0.9 0.9 volume=40830889.688 peak=2398 ppm1=0.798 ppm2=9.171

assign ( resid 93 and name HD2#
	 )
       ( resid 19 and name HB3
	 or resid 94 and name HG3
	 ) 3.5 0.7 0.7 volume=152748692.250 peak=2399 ppm1=0.794 ppm2=2.478

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name HG
	 ) 2.2 0.4 0.4 volume=2601113912.000 peak=2400 ppm1=0.787 ppm2=1.820

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name HB3
	 ) 2.5 0.5 0.5 volume=1144655564.000 peak=2401 ppm1=0.783 ppm2=1.562

assign ( resid 93 and name HD2#
	 )
       ( resid 96 and name HG12
	 ) 2.7 0.5 0.5 volume=737417040.000 peak=2402 ppm1=0.793 ppm2=1.232

assign ( resid 85 and name HB2
	 )
       ( resid 85 and name HD3
	 ) 4.0 0.8 0.8 volume=67284893.000 peak=2403 ppm1=2.033 ppm2=2.496

assign ( resid 27 and name HG1#
	 )
       ( resid 26 and name H
	 ) 3.7 0.7 0.7 volume=108749782.500 peak=2404 ppm1=1.085 ppm2=7.807

assign ( resid 22 and name HG2#
	 )
       ( resid 11 and name HA
	 ) 3.7 0.7 0.7 volume=108789127.750 peak=2405 ppm1=1.086 ppm2=4.347

assign ( resid 22 and name HG2#
	 )
       ( resid 22 and name HB
	 ) 2.4 0.5 0.5 volume=1377537684.000 peak=2408 ppm1=1.087 ppm2=2.038

assign ( resid 22 and name HG2#
	 )
       ( resid 14 and name HB2
	 or resid 19 and name HB2
	 or resid 24 and name HB2
	 or resid 25 and name HB3
	 ) 3.2 0.6 0.6 volume=232987413.000 peak=2409 ppm1=1.087 ppm2=1.898

assign ( resid 52 and name HD1#
	 )
       ( resid 43 and name HB2
	 ) 3.4 0.7 0.7 volume=160591610.000 peak=2410 ppm1=1.080 ppm2=1.781

assign ( resid 22 and name HG2#
	 )
       ( resid 10 and name HG3
	 or resid 21 and name HB#
	 ) 2.9 0.6 0.6 volume=404382128.250 peak=2411 ppm1=1.087 ppm2=1.597

assign ( resid 22 and name HG1#
	 )
       ( resid 22 and name HG2#
	 ) 2.1 0.4 0.4 volume=3143368616.000 peak=2413 ppm1=0.864 ppm2=1.095

assign ( resid 52 and name HD1#
	 )
       ( resid 62 and name HD2#
	 ) 4.8 1.0 1.0 volume=22657989.734 peak=2414 ppm1=1.079 ppm2=0.211

assign ( resid 52 and name HD1#
	 )
       ( resid 79 and name HD1#
	 ) 4.9 1.0 1.0 volume=18876880.156 peak=2415 ppm1=1.081 ppm2=0.020

assign ( resid 22 and name HG1#
	 )
       ( resid 14 and name HG
	 ) 3.0 0.6 0.6 volume=352962915.000 peak=2416 ppm1=0.866 ppm2=1.927

assign ( resid 27 and name HA
	 )
       ( resid 28 and name H
	 ) 3.7 0.7 0.7 volume=98424077.500 peak=2417 ppm1=3.439 ppm2=8.391

assign ( resid 27 and name HA
	 )
       ( resid 29 and name H
	 ) 4.7 0.9 0.9 volume=25769000.562 peak=2418 ppm1=3.432 ppm2=9.306

assign ( resid 27 and name HA
	 )
       ( resid 26 and name HA
	 ) 4.6 0.9 0.9 volume=26474708.531 peak=2419 ppm1=3.434 ppm2=4.344

assign ( resid 27 and name HB
	 )
       ( resid 27 and name H
	 ) 2.8 0.6 0.6 volume=565952853.000 peak=2420 ppm1=2.276 ppm2=7.974

assign ( resid 27 and name HB
	 )
       ( resid 27 and name HA
	 ) 3.1 0.6 0.6 volume=211696167.000 peak=2421 ppm1=2.275 ppm2=3.445

assign ( resid 35 and name HB2
	 )
       ( resid 34 and name HB
	 ) 3.3 0.7 0.7 volume=190468050.000 peak=2422 ppm1=1.376 ppm2=2.251

assign ( resid 27 and name HB
	 )
       ( resid 27 and name HG1#
	 ) 2.5 0.5 0.5 volume=970858818.000 peak=2423 ppm1=2.280 ppm2=1.122

assign ( resid 27 and name HG2#
	 )
       ( resid 85 and name HD2
	 or resid 89 and name HA
	 ) 3.7 0.7 0.7 volume=96888480.750 peak=2424 ppm1=1.153 ppm2=3.774

assign ( resid 27 and name HG2#
	 )
       ( resid 27 and name HB
	 ) 2.5 0.5 0.5 volume=1004611784.000 peak=2425 ppm1=1.153 ppm2=2.293

assign ( resid 27 and name HG2#
	 )
       ( resid 30 and name HB2
	 or resid 66 and name HB3
	 or resid 85 and name HB2
	 ) 2.9 0.6 0.6 volume=453067569.500 peak=2426 ppm1=1.153 ppm2=2.035

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name HG
	 or resid 66 and name HG
	 ) 3.8 0.8 0.8 volume=89275617.250 peak=2427 ppm1=1.151 ppm2=1.828

assign ( resid 31 and name HB#
	 )
       ( resid 27 and name HG2#
	 ) 3.3 0.7 0.7 volume=179878243.250 peak=2428 ppm1=1.680 ppm2=1.159

assign ( resid 27 and name HG2#
	 )
       ( resid 26 and name HD2#
	 or resid 52 and name HD2#
	 or resid 66 and name HD2#
	 or resid 92 and name HD2#
	 ) 2.7 0.5 0.5 volume=624718010.000 peak=2429 ppm1=1.155 ppm2=0.761

assign ( resid 27 and name HG2#
	 )
       ( resid 88 and name HG1#
	 ) 2.7 0.5 0.5 volume=679828809.000 peak=2430 ppm1=1.153 ppm2=0.913

assign ( resid 27 and name HG2#
	 )
       ( resid 79 and name HD1#
	 ) 4.7 0.9 0.9 volume=24550116.879 peak=2431 ppm1=1.148 ppm2=-0.011

assign ( resid 34 and name HA
	 )
       ( resid 34 and name HG2#
	 ) 2.7 0.5 0.5 volume=674065766.000 peak=2432 ppm1=3.710 ppm2=1.010

assign ( resid 27 and name HB
	 )
       ( resid 23 and name HA
	 or resid 85 and name HA
	 ) 3.5 0.7 0.7 volume=154537069.000 peak=2433 ppm1=2.250 ppm2=4.075

assign ( resid 34 and name HG2#
	 )
       ( resid 61 and name HB2
	 ) 3.0 0.6 0.6 volume=332589464.000 peak=2438 ppm1=1.004 ppm2=2.070

assign ( resid 34 and name HG1#
	 )
       ( resid 35 and name H
	 ) 3.1 0.6 0.6 volume=313070936.000 peak=2440 ppm1=0.851 ppm2=7.659

assign ( resid 34 and name HG1#
	 )
       ( resid 33 and name HB2
	 or resid 54 and name HA
	 or resid 62 and name HA
	 ) 2.6 0.5 0.5 volume=898838008.000 peak=2442 ppm1=0.853 ppm2=4.065

assign ( resid 34 and name HG1#
	 )
       ( resid 34 and name HA
	 ) 2.6 0.5 0.5 volume=940316584.000 peak=2443 ppm1=0.850 ppm2=3.712

assign ( resid 34 and name HG1#
	 )
       ( resid 61 and name HG2
	 ) 3.7 0.7 0.7 volume=99414237.375 peak=2444 ppm1=0.852 ppm2=2.427

assign ( resid 34 and name HG1#
	 )
       ( resid 34 and name HG2#
	 ) 2.3 0.5 0.5 volume=1281228882.875 peak=2445 ppm1=0.849 ppm2=0.996

assign ( resid 34 and name HG1#
	 )
       ( resid 65 and name HB3
	 ) 3.6 0.7 0.7 volume=115493275.875 peak=2446 ppm1=0.855 ppm2=3.210

assign ( resid 34 and name HG1#
	 )
       ( resid 65 and name HE1
	 ) 3.8 0.8 0.8 volume=84824219.562 peak=2447 ppm1=0.853 ppm2=8.180

assign ( resid 88 and name HG2#
	 )
       ( resid 49 and name HD#
	 ) 3.4 0.7 0.7 volume=175629457.000 peak=2448 ppm1=1.324 ppm2=6.916

assign ( resid 88 and name HG2#
	 )
       ( resid 62 and name HD2#
	 ) 4.5 0.9 0.9 volume=33654778.787 peak=2449 ppm1=1.326 ppm2=0.253

assign ( resid 62 and name HD1#
	 )
       ( resid 30 and name HB3
	 ) 2.6 0.5 0.5 volume=770206146.000 peak=2450 ppm1=0.898 ppm2=2.118

assign ( resid 37 and name HE#
	 )
       ( resid 35 and name H
	 ) 4.5 0.9 0.9 volume=33424121.562 peak=2451 ppm1=6.837 ppm2=7.640

assign ( resid 49 and name HE#
	 )
       ( resid 54 and name HZ
	 ) 4.3 0.9 0.9 volume=42392870.371 peak=2453 ppm1=7.019 ppm2=7.349

assign ( resid 37 and name HD#
	 )
       ( resid 35 and name H
	 ) 4.6 0.9 0.9 volume=28183327.648 peak=2454 ppm1=7.027 ppm2=7.639

assign ( resid 80 and name HD#
	 )
       ( resid 80 and name H
	 ) 4.2 0.8 0.8 volume=46073579.688 peak=2456 ppm1=7.113 ppm2=7.597

assign ( resid 37 and name HE#
	 )
       ( resid 37 and name H
	 ) 4.4 0.9 0.9 volume=35424133.062 peak=2459 ppm1=6.840 ppm2=8.204

assign ( resid 65 and name HE1
	 )
       ( resid 61 and name HB2
	 ) 5.0 1.0 1.0 volume=16440514.688 peak=2460 ppm1=8.187 ppm2=2.071

assign ( resid 82 and name HE1
	 )
       ( resid 82 and name HB2
	 ) 5.2 1.0 1.0 volume=13442188.070 peak=2461 ppm1=7.632 ppm2=2.370

assign ( resid 82 and name HE1
	 )
       ( resid 81 and name HB3
	 ) 5.0 1.0 1.0 volume=16696317.273 peak=2462 ppm1=7.623 ppm2=2.064

assign ( resid 82 and name HE1
	 )
       ( resid 87 and name HB#
	 ) 5.3 1.1 1.1 volume=11896174.125 peak=2463 ppm1=7.629 ppm2=1.745

assign ( resid 82 and name HE1
	 )
       ( resid 91 and name HA
	 ) 5.3 1.1 1.1 volume=11897369.789 peak=2464 ppm1=7.665 ppm2=4.211

assign ( resid 95 and name HG2
	 )
       ( resid 94 and name H
	 ) 4.5 0.9 0.9 volume=32562633.500 peak=2465 ppm1=2.270 ppm2=7.606

assign ( resid 95 and name HG2
	 )
       ( resid 91 and name HD2
	 ) 4.8 1.0 1.0 volume=21276218.969 peak=2466 ppm1=2.263 ppm2=6.188

assign ( resid 95 and name HG3
	 )
       ( resid 91 and name HD2
	 ) 4.8 1.0 1.0 volume=21959969.188 peak=2467 ppm1=1.968 ppm2=6.193

assign ( resid 88 and name HG2#
	 )
       ( resid 91 and name HD2
	 ) 4.5 0.9 0.9 volume=24386677.094 peak=2468 ppm1=1.333 ppm2=6.185

assign ( resid 92 and name HG
	 )
       ( resid 91 and name HD2
	 ) 4.7 0.9 0.9 volume=25148135.328 peak=2469 ppm1=2.139 ppm2=6.189

assign ( resid 94 and name HG3
	 )
       ( resid 95 and name HE21
	 ) 4.8 1.0 1.0 volume=22642371.531 peak=2470 ppm1=2.467 ppm2=6.626

assign ( resid 94 and name HG2
	 )
       ( resid 95 and name HE21
	 ) 4.7 0.9 0.9 volume=23126598.891 peak=2471 ppm1=2.315 ppm2=6.624

assign ( resid 94 and name HG3
	 )
       ( resid 95 and name HE22
	 ) 5.2 1.0 1.0 volume=14121878.953 peak=2472 ppm1=2.475 ppm2=6.410

assign ( resid 94 and name HG2
	 )
       ( resid 95 and name HE22
	 ) 5.2 1.0 1.0 volume=13962677.078 peak=2473 ppm1=2.326 ppm2=6.411

assign ( resid 83 and name HD3
	 )
       ( resid 83 and name HA
	 ) 3.7 0.7 0.7 volume=20966665.922 peak=2474 ppm1=3.670 ppm2=5.099

assign ( resid 83 and name HD2
	 )
       ( resid 83 and name HA
	 ) 4.7 0.9 0.9 volume=25881501.906 peak=2475 ppm1=3.427 ppm2=5.103

assign ( resid 78 and name HA
	 )
       ( resid 91 and name HD2
	 ) 4.9 1.0 1.0 volume=18155007.250 peak=2476 ppm1=4.043 ppm2=6.195

assign ( resid 95 and name HB3
	 )
       ( resid 95 and name HE22
	 ) 5.0 1.0 1.0 volume=17766131.047 peak=2477 ppm1=2.269 ppm2=6.422

assign ( resid 94 and name HB2
	 )
       ( resid 95 and name HE22
	 ) 4.1 0.8 0.8 volume=46074982.750 peak=2478 ppm1=2.082 ppm2=6.409

assign ( resid 95 and name HB3
	 )
       ( resid 95 and name HE21
	 ) 4.0 0.8 0.8 volume=65179370.000 peak=2480 ppm1=2.265 ppm2=6.625

assign ( resid 94 and name HB2
	 )
       ( resid 95 and name HE21
	 ) 3.7 0.7 0.7 volume=106416218.250 peak=2481 ppm1=2.085 ppm2=6.624

assign ( resid 31 and name HB#
	 )
       ( resid 49 and name HB2
	 ) 5.2 1.0 1.0 volume=13860031.852 peak=2482 ppm1=1.680 ppm2=2.659

assign ( resid 31 and name HB#
	 )
       ( resid 49 and name HB3
	 ) 5.1 1.0 1.0 volume=15303482.078 peak=2483 ppm1=1.677 ppm2=2.752

assign ( resid 31 and name HB#
	 )
       ( resid 30 and name HG3
	 ) 4.9 1.0 1.0 volume=20400079.281 peak=2484 ppm1=1.682 ppm2=2.836

assign ( resid 31 and name HB#
	 )
       ( resid 37 and name HB2
	 ) 5.2 1.0 1.0 volume=13353951.250 peak=2485 ppm1=1.678 ppm2=2.946

assign ( resid 31 and name HB#
	 )
       ( resid 52 and name HB2
	 ) 4.8 1.0 1.0 volume=21713882.520 peak=2486 ppm1=1.677 ppm2=2.375

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name H
	 ) 4.3 0.9 0.9 volume=43590320.938 peak=2487 ppm1=1.680 ppm2=8.392

assign ( resid 84 and name HB
	 )
       ( resid 84 and name H
	 ) 4.2 0.8 0.8 volume=48246199.125 peak=2488 ppm1=4.385 ppm2=7.332

assign ( resid 84 and name HB
	 )
       ( resid 47 and name H
	 ) 4.6 0.9 0.9 volume=29401047.406 peak=2489 ppm1=4.383 ppm2=7.528

assign ( resid 84 and name HB
	 )
       ( resid 49 and name HE#
	 ) 4.8 1.0 1.0 volume=21037614.625 peak=2490 ppm1=4.392 ppm2=7.025

assign ( resid 84 and name HB
	 )
       ( resid 46 and name HA
	 or resid 48 and name HA
	 ) 3.7 0.7 0.7 volume=98077157.562 peak=2491 ppm1=4.383 ppm2=4.622

assign ( resid 84 and name HB
	 )
       ( resid 45 and name HB
	 ) 4.5 0.9 0.9 volume=32962116.000 peak=2492 ppm1=4.384 ppm2=4.074

assign ( resid 84 and name HB
	 )
       ( resid 85 and name HD2
	 ) 3.2 0.6 0.6 volume=256610750.500 peak=2493 ppm1=4.385 ppm2=3.796

assign ( resid 86 and name HB3
	 )
       ( resid 84 and name HB
	 ) 4.3 0.9 0.9 volume=40437562.250 peak=2494 ppm1=2.882 ppm2=4.394

assign ( resid 86 and name HB2
	 )
       ( resid 84 and name HB
	 ) 4.6 0.9 0.9 volume=28499730.562 peak=2495 ppm1=2.690 ppm2=4.385

assign ( resid 84 and name HB
	 )
       ( resid 85 and name HD3
	 ) 3.4 0.7 0.7 volume=180392420.000 peak=2496 ppm1=4.385 ppm2=2.504

assign ( resid 84 and name HB
	 )
       ( resid 85 and name HB2
	 ) 3.8 0.8 0.8 volume=87590660.125 peak=2497 ppm1=4.385 ppm2=1.996

assign ( resid 84 and name HB
	 )
       ( resid 87 and name HB#
	 ) 4.1 0.8 0.8 volume=53762295.938 peak=2498 ppm1=4.392 ppm2=1.726

assign ( resid 84 and name HB
	 )
       ( resid 84 and name HG2#
	 ) 2.6 0.5 0.5 volume=624787941.000 peak=2499 ppm1=4.385 ppm2=1.003

assign ( resid 84 and name HB
	 )
       ( resid 28 and name HD2#
	 or resid 52 and name HD2#
	 ) 4.2 0.8 0.8 volume=46829121.500 peak=2500 ppm1=4.388 ppm2=0.768

assign ( resid 84 and name HA
	 )
       ( resid 48 and name HA
	 ) 4.1 0.8 0.8 volume=58935451.094 peak=2501 ppm1=4.453 ppm2=4.621

assign ( resid 84 and name HA
	 )
       ( resid 84 and name H
	 ) 3.6 0.7 0.7 volume=130478397.000 peak=2502 ppm1=4.449 ppm2=7.331

assign ( resid 84 and name HA
	 )
       ( resid 49 and name HE#
	 ) 4.0 0.8 0.8 volume=62174249.750 peak=2503 ppm1=4.450 ppm2=7.029

assign ( resid 84 and name HA
	 )
       ( resid 88 and name H
	 ) 4.3 0.9 0.9 volume=43426127.875 peak=2505 ppm1=4.446 ppm2=8.572

assign ( resid 84 and name HA
	 )
       ( resid 88 and name HG2#
	 ) 3.8 0.8 0.8 volume=87294305.500 peak=2508 ppm1=4.446 ppm2=1.312

assign ( resid 84 and name HA
	 )
       ( resid 84 and name HG2#
	 ) 2.9 0.6 0.6 volume=477139865.000 peak=2509 ppm1=4.449 ppm2=1.002

assign ( resid 19 and name HA
	 )
       ( resid 14 and name H
	 ) 5.3 1.1 1.1 volume=12580234.805 peak=2511 ppm1=3.852 ppm2=7.369

assign ( resid 19 and name HG2
	 )
       ( resid 14 and name H
	 ) 4.8 1.0 1.0 volume=22452277.000 peak=2512 ppm1=2.253 ppm2=7.374

assign ( resid 19 and name HG2
	 )
       ( resid 18 and name H
	 ) 4.8 1.0 1.0 volume=22392500.359 peak=2513 ppm1=2.252 ppm2=7.591

assign ( resid 19 and name HG3
	 )
       ( resid 21 and name H
	 ) 5.2 1.0 1.0 volume=14137181.844 peak=2514 ppm1=2.870 ppm2=7.704

assign ( resid 67 and name HG3
	 )
       ( resid 66 and name H
	 ) 4.9 1.0 1.0 volume=18376392.531 peak=2515 ppm1=2.862 ppm2=8.760

assign ( resid 49 and name HD#
	 )
       ( resid 50 and name H
	 ) 5.1 1.0 1.0 volume=15165189.312 peak=2517 ppm1=6.920 ppm2=8.822

assign ( resid 49 and name HD#
	 )
       ( resid 84 and name HA
	 ) 4.0 0.8 0.8 volume=21685022.188 peak=2518 ppm1=6.915 ppm2=4.444

assign ( resid 49 and name HD#
	 )
       ( resid 50 and name HB3
	 ) 5.0 1.0 1.0 volume=18024020.031 peak=2519 ppm1=6.915 ppm2=2.004

assign ( resid 84 and name HG2#
	 )
       ( resid 49 and name HD#
	 ) 4.3 0.9 0.9 volume=20332576.781 peak=2520 ppm1=0.996 ppm2=6.924

assign ( resid 49 and name HD#
	 )
       ( resid 35 and name HD2#
	 ) 4.9 1.0 1.0 volume=19252373.938 peak=2521 ppm1=6.915 ppm2=0.630

assign ( resid 54 and name HD#
	 )
       ( resid 53 and name H
	 ) 4.9 1.0 1.0 volume=19435188.289 peak=2522 ppm1=7.401 ppm2=7.770

assign ( resid 54 and name HD#
	 )
       ( resid 62 and name H
	 ) 5.0 1.0 1.0 volume=18000616.516 peak=2523 ppm1=7.402 ppm2=8.484

assign ( resid 54 and name HE#
	 )
       ( resid 79 and name HD1#
	 ) 4.5 0.9 0.9 volume=31219998.062 peak=2524 ppm1=7.219 ppm2=0.007

assign ( resid 49 and name HD#
	 )
       ( resid 35 and name HD1#
	 ) 5.1 1.0 1.0 volume=14595197.734 peak=2525 ppm1=6.917 ppm2=0.108

assign ( resid 54 and name HE#
	 )
       ( resid 59 and name H
	 ) 5.2 1.0 1.0 volume=13312708.492 peak=2526 ppm1=7.216 ppm2=9.073

assign ( resid 52 and name HB2
	 )
       ( resid 54 and name HE#
	 ) 4.1 0.8 0.8 volume=55918275.438 peak=2527 ppm1=2.332 ppm2=7.220

assign ( resid 54 and name HE#
	 )
       ( resid 79 and name HG2#
	 ) 4.8 1.0 1.0 volume=21279051.281 peak=2528 ppm1=7.219 ppm2=-0.144

assign ( resid 54 and name HZ
	 )
       ( resid 32 and name HA
	 ) 5.1 1.0 1.0 volume=14773868.531 peak=2529 ppm1=7.349 ppm2=3.865

assign ( resid 80 and name HE#
	 )
       ( resid 80 and name H
	 ) 5.4 1.1 1.1 volume=10896215.500 peak=2531 ppm1=7.260 ppm2=7.598

assign ( resid 80 and name HE#
	 )
       ( resid 48 and name HB3
	 ) 4.8 1.0 1.0 volume=21119559.844 peak=2533 ppm1=7.257 ppm2=4.039

assign ( resid 80 and name HE#
	 )
       ( resid 79 and name HG12
	 ) 4.3 0.9 0.9 volume=39924049.438 peak=2534 ppm1=7.258 ppm2=0.116

assign ( resid 80 and name HD#
	 )
       ( resid 81 and name H
	 ) 4.9 1.0 1.0 volume=20216230.938 peak=2535 ppm1=7.116 ppm2=8.028

assign ( resid 80 and name HD#
	 )
       ( resid 77 and name HB
	 ) 5.1 1.0 1.0 volume=14715281.766 peak=2536 ppm1=7.112 ppm2=4.806

assign ( resid 80 and name HD#
	 )
       ( resid 79 and name HG13
	 ) 5.0 1.0 1.0 volume=17672440.875 peak=2537 ppm1=7.117 ppm2=0.645

assign ( resid 82 and name HB3
	 )
       ( resid 49 and name HE#
	 ) 4.8 1.0 1.0 volume=10380258.965 peak=2538 ppm1=3.117 ppm2=7.025

assign ( resid 49 and name HZ
	 )
       ( resid 84 and name H
	 ) 5.2 1.0 1.0 volume=13550304.289 peak=2540 ppm1=6.580 ppm2=7.336

assign ( resid 49 and name HZ
	 )
       ( resid 85 and name HD3
	 ) 5.2 1.0 1.0 volume=14147136.828 peak=2541 ppm1=6.583 ppm2=2.519

assign ( resid 49 and name HZ
	 )
       ( resid 78 and name HD2#
	 ) 5.0 1.0 1.0 volume=17151885.844 peak=2542 ppm1=6.582 ppm2=1.039

assign ( resid 82 and name HD2
	 )
       ( resid 88 and name HA
	 ) 4.7 0.9 0.9 volume=24136842.031 peak=2543 ppm1=6.694 ppm2=3.413

assign ( resid 65 and name HD2
	 )
       ( resid 33 and name H
	 ) 5.4 1.1 1.1 volume=10211040.090 peak=2544 ppm1=7.179 ppm2=7.688

assign ( resid 91 and name HD2
	 )
       ( resid 95 and name HE21
	 ) 4.6 0.9 0.9 volume=27274139.250 peak=2546 ppm1=6.188 ppm2=6.623

assign ( resid 91 and name HD2
	 )
       ( resid 82 and name HB3
	 ) 5.3 1.1 1.1 volume=12241010.664 peak=2550 ppm1=6.183 ppm2=3.146

assign ( resid 91 and name HD2
	 )
       ( resid 92 and name HB3
	 ) 4.6 0.9 0.9 volume=28793743.188 peak=2551 ppm1=6.186 ppm2=1.969

assign ( resid 91 and name HD2
	 )
       ( resid 74 and name HB3
	 ) 5.0 1.0 1.0 volume=17229474.844 peak=2552 ppm1=6.185 ppm2=1.540

assign ( resid 37 and name HE#
	 )
       ( resid 36 and name H
	 ) 5.2 1.0 1.0 volume=13567937.192 peak=2553 ppm1=6.843 ppm2=7.722

assign ( resid 86 and name HD2
	 )
       ( resid 90 and name H
	 ) 6.6 1.3 1.3 volume=3101851.707 peak=2554 ppm1=6.843 ppm2=7.811

assign ( resid 86 and name HD2
	 )
       ( resid 84 and name HB
	 ) 5.2 1.0 1.0 volume=13943979.398 peak=2555 ppm1=6.840 ppm2=4.370

assign ( resid 35 and name HA
	 )
       ( resid 37 and name HE#
	 ) 4.0 0.8 0.8 volume=63571289.938 peak=2556 ppm1=4.003 ppm2=6.843

assign ( resid 86 and name HD2
	 )
       ( resid 82 and name HB3
	 ) 4.8 1.0 1.0 volume=21328536.719 peak=2558 ppm1=6.850 ppm2=3.086

assign ( resid 37 and name HD#
	 )
       ( resid 33 and name H
	 ) 4.9 1.0 1.0 volume=18317412.449 peak=2559 ppm1=7.027 ppm2=7.729

assign ( resid 37 and name HD#
	 )
       ( resid 32 and name H
	 ) 4.8 1.0 1.0 volume=21225606.469 peak=2560 ppm1=7.026 ppm2=8.764

assign ( resid 37 and name HD#
	 )
       ( resid 40 and name HB
	 ) 4.8 1.0 1.0 volume=23075075.094 peak=2561 ppm1=7.031 ppm2=4.485

assign ( resid 37 and name HD#
	 )
       ( resid 40 and name HA
	 ) 4.8 1.0 1.0 volume=22099113.625 peak=2562 ppm1=7.025 ppm2=4.268

assign ( resid 32 and name HB#
	 )
       ( resid 37 and name HD#
	 ) 3.3 0.7 0.7 volume=182487943.750 peak=2567 ppm1=1.522 ppm2=7.031

assign ( resid 37 and name HD#
	 )
       ( resid 35 and name HB2
	 ) 3.5 0.7 0.7 volume=133634867.125 peak=2568 ppm1=7.026 ppm2=1.398

assign ( resid 35 and name HD2#
	 )
       ( resid 37 and name HD#
	 ) 3.6 0.7 0.7 volume=104483923.500 peak=2569 ppm1=0.626 ppm2=7.034

assign ( resid 74 and name HD2#
	 )
       ( resid 74 and name HA
	 ) 4.7 0.9 0.9 volume=25807464.000 peak=2570 ppm1=0.814 ppm2=4.868

assign ( resid 92 and name HD2#
	 )
       ( resid 27 and name HA
	 or resid 88 and name HA
	 ) 3.5 0.7 0.7 volume=156835592.250 peak=2571 ppm1=0.767 ppm2=3.441

assign ( resid 74 and name HD2#
	 )
       ( resid 67 and name HG3
	 ) 3.4 0.7 0.7 volume=117572193.000 peak=2572 ppm1=0.766 ppm2=2.834

assign ( resid 93 and name HD2#
	 )
       ( resid 95 and name H
	 ) 4.2 0.8 0.8 volume=50373940.750 peak=2574 ppm1=0.775 ppm2=7.482

assign ( resid 28 and name HD2#
	 )
       ( resid 45 and name H
	 ) 4.5 0.9 0.9 volume=31781578.188 peak=2575 ppm1=0.769 ppm2=8.141

assign ( resid 66 and name HD2#
	 )
       ( resid 27 and name HB
	 ) 3.0 0.6 0.6 volume=330666358.500 peak=2577 ppm1=0.780 ppm2=2.267

assign ( resid 66 and name HD2#
	 )
       ( resid 30 and name HG2
	 ) 2.3 0.5 0.5 volume=1910359968.000 peak=2578 ppm1=0.781 ppm2=1.999

assign ( resid 28 and name HD2#
	 )
       ( resid 27 and name HG1#
	 or resid 45 and name HG2#
	 ) 2.3 0.5 0.5 volume=1628521268.000 peak=2579 ppm1=0.778 ppm2=1.102

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name HD1#
	 ) 2.1 0.4 0.4 volume=2893501548.000 peak=2580 ppm1=0.781 ppm2=0.922

assign ( resid 78 and name HD2#
	 )
       ( resid 91 and name HB2
	 ) 3.7 0.7 0.7 volume=110465766.875 peak=2581 ppm1=1.055 ppm2=3.019

assign ( resid 78 and name HD2#
	 )
       ( resid 81 and name HB2
	 ) 3.5 0.7 0.7 volume=141877006.000 peak=2582 ppm1=1.043 ppm2=2.349

assign ( resid 45 and name HG2#
	 )
       ( resid 47 and name H
	 ) 4.7 0.9 0.9 volume=25555296.984 peak=2583 ppm1=1.095 ppm2=7.525

assign ( resid 45 and name HG2#
	 )
       ( resid 46 and name HA
	 ) 5.0 1.0 1.0 volume=16388660.875 peak=2585 ppm1=1.095 ppm2=4.593

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name HA
	 ) 2.9 0.6 0.6 volume=457543709.500 peak=2587 ppm1=1.099 ppm2=3.896

assign ( resid 86 and name HB2
	 )
       ( resid 45 and name HG2#
	 ) 3.8 0.8 0.8 volume=94336723.125 peak=2588 ppm1=2.704 ppm2=1.101

assign ( resid 45 and name HG2#
	 )
       ( resid 24 and name HD2
	 ) 3.6 0.7 0.7 volume=120090454.625 peak=2589 ppm1=1.098 ppm2=3.019

assign ( resid 45 and name HG2#
	 )
       ( resid 24 and name HD3
	 ) 3.7 0.7 0.7 volume=107117786.875 peak=2590 ppm1=1.097 ppm2=3.071

assign ( resid 40 and name HG2#
	 )
       ( resid 29 and name H
	 ) 3.6 0.7 0.7 volume=128596559.125 peak=2591 ppm1=1.288 ppm2=9.302

assign ( resid 17 and name HG2#
	 )
       ( resid 19 and name H
	 ) 4.4 0.9 0.9 volume=37356271.547 peak=2592 ppm1=1.306 ppm2=9.162

assign ( resid 70 and name HG2#
	 )
       ( resid 67 and name H
	 ) 4.3 0.9 0.9 volume=39474727.766 peak=2593 ppm1=1.298 ppm2=8.879

assign ( resid 40 and name HG2#
	 )
       ( resid 32 and name H
	 ) 3.7 0.7 0.7 volume=109113393.625 peak=2594 ppm1=1.290 ppm2=8.760

assign ( resid 70 and name HG2#
	 )
       ( resid 71 and name H
	 ) 3.8 0.8 0.8 volume=84037823.875 peak=2595 ppm1=1.299 ppm2=8.648

assign ( resid 40 and name HG2#
	 )
       ( resid 40 and name H
	 ) 3.3 0.7 0.7 volume=189773347.000 peak=2596 ppm1=1.290 ppm2=8.361

assign ( resid 8 and name HG2#
	 )
       ( resid 9 and name H
	 ) 3.9 0.8 0.8 volume=80819161.938 peak=2597 ppm1=1.299 ppm2=7.893

assign ( resid 8 and name HG2#
	 )
       ( resid 12 and name H
	 ) 4.2 0.8 0.8 volume=51389339.562 peak=2598 ppm1=1.300 ppm2=7.327

assign ( resid 17 and name HG2#
	 )
       ( resid 17 and name HA
	 ) 2.6 0.5 0.5 volume=750682510.000 peak=2600 ppm1=1.301 ppm2=3.973

assign ( resid 40 and name HG2#
	 )
       ( resid 32 and name HA
	 ) 3.5 0.7 0.7 volume=144256314.000 peak=2601 ppm1=1.291 ppm2=3.855

assign ( resid 70 and name HG2#
	 )
       ( resid 92 and name HA
	 ) 4.5 0.9 0.9 volume=31599207.812 peak=2603 ppm1=1.298 ppm2=3.585

assign ( resid 17 and name HG2#
	 )
       ( resid 18 and name HB2
	 ) 3.7 0.7 0.7 volume=110427333.750 peak=2607 ppm1=1.300 ppm2=2.367

assign ( resid 87 and name HB#
	 )
       ( resid 92 and name HD2#
	 ) 4.9 1.0 1.0 volume=18436983.438 peak=2609 ppm1=1.738 ppm2=0.769

assign ( resid 21 and name HB#
	 )
       ( resid 24 and name HD3
	 ) 4.5 0.9 0.9 volume=31619274.344 peak=2610 ppm1=1.579 ppm2=3.087

assign ( resid 32 and name HB#
	 )
       ( resid 36 and name H
	 ) 5.3 1.1 1.1 volume=12313753.332 peak=2611 ppm1=1.530 ppm2=7.813

assign ( resid 16 and name HB#
	 )
       ( resid 19 and name H
	 ) 3.9 0.8 0.8 volume=79903663.500 peak=2612 ppm1=1.529 ppm2=9.165

assign ( resid 32 and name HB#
	 )
       ( resid 35 and name HD1#
	 ) 5.1 1.0 1.0 volume=14473130.387 peak=2613 ppm1=1.527 ppm2=0.095

assign ( resid 12 and name HB#
	 )
       ( resid 19 and name HE22
	 ) 5.1 1.0 1.0 volume=15062634.602 peak=2614 ppm1=1.459 ppm2=6.811

assign ( resid 12 and name HB#
	 )
       ( resid 10 and name HE3
	 ) 5.0 1.0 1.0 volume=16526356.531 peak=2615 ppm1=1.453 ppm2=2.989

assign ( resid 87 and name HB#
	 )
       ( resid 86 and name HA
	 ) 4.7 0.9 0.9 volume=25204706.250 peak=2616 ppm1=1.739 ppm2=3.903

assign ( resid 79 and name HG2#
	 )
       ( resid 49 and name H
	 ) 4.9 1.0 1.0 volume=18059756.031 peak=2617 ppm1=-0.151 ppm2=8.202

assign ( resid 79 and name HG2#
	 )
       ( resid 81 and name H
	 ) 5.3 1.1 1.1 volume=12302774.680 peak=2618 ppm1=-0.145 ppm2=8.039

assign ( resid 79 and name HG2#
	 )
       ( resid 75 and name H
	 ) 4.9 1.0 1.0 volume=19433243.405 peak=2619 ppm1=-0.151 ppm2=9.072

assign ( resid 79 and name HG2#
	 )
       ( resid 64 and name H
	 ) 5.6 1.1 1.1 volume=8818307.277 peak=2620 ppm1=-0.147 ppm2=8.816

assign ( resid 79 and name HD1#
	 )
       ( resid 50 and name H
	 ) 4.9 1.0 1.0 volume=19293148.377 peak=2621 ppm1=0.008 ppm2=8.812

assign ( resid 79 and name HD1#
	 )
       ( resid 62 and name H
	 ) 4.9 1.0 1.0 volume=20361135.893 peak=2622 ppm1=0.007 ppm2=8.507

assign ( resid 35 and name HD1#
	 )
       ( resid 54 and name HB2
	 ) 5.0 1.0 1.0 volume=16758702.988 peak=2623 ppm1=0.090 ppm2=2.835

assign ( resid 66 and name HD2#
	 )
       ( resid 68 and name H
	 ) 4.8 1.0 1.0 volume=22546033.711 peak=2624 ppm1=0.742 ppm2=8.284

assign ( resid 43 and name HB3
	 )
       ( resid 52 and name HD1#
	 ) 4.3 0.9 0.9 volume=45004485.594 peak=2625 ppm1=1.430 ppm2=1.024

assign ( resid 95 and name HG2
	 )
       ( resid 96 and name HG12
	 ) 4.7 0.9 0.9 volume=23533503.297 peak=2626 ppm1=2.268 ppm2=1.245

assign ( resid 95 and name HG3
	 )
       ( resid 96 and name HG12
	 ) 4.4 0.9 0.9 volume=34211059.750 peak=2627 ppm1=1.968 ppm2=1.240

assign ( resid 38 and name HB#
	 )
       ( resid 37 and name HB2
	 ) 4.9 1.0 1.0 volume=18744376.656 peak=2628 ppm1=1.478 ppm2=2.923

assign ( resid 37 and name HD#
	 )
       ( resid 39 and name H
	 ) 5.5 1.1 1.1 volume=9717616.812 peak=2629 ppm1=7.034 ppm2=8.011

assign ( resid 82 and name HB3
	 )
       ( resid 81 and name H
	 ) 5.0 1.0 1.0 volume=16732925.031 peak=2630 ppm1=3.122 ppm2=8.026

assign ( resid 82 and name HB3
	 )
       ( resid 84 and name H
	 ) 4.9 1.0 1.0 volume=18524344.969 peak=2631 ppm1=3.120 ppm2=7.323

assign ( resid 82 and name HB2
	 )
       ( resid 84 and name H
	 ) 4.4 0.9 0.9 volume=34548193.938 peak=2632 ppm1=2.366 ppm2=7.335

assign ( resid 82 and name HB3
	 )
       ( resid 87 and name HA
	 ) 4.8 1.0 1.0 volume=22363413.812 peak=2634 ppm1=3.130 ppm2=4.222

assign ( resid 18 and name HB2
	 )
       ( resid 19 and name HA
	 ) 4.6 0.9 0.9 volume=29790829.500 peak=2635 ppm1=2.391 ppm2=3.846

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HD2
	 ) 3.8 0.8 0.8 volume=82410658.125 peak=2638 ppm1=3.610 ppm2=7.182

assign ( resid 65 and name HB2
	 )
       ( resid 68 and name H
	 ) 5.1 1.0 1.0 volume=15755576.031 peak=2639 ppm1=3.613 ppm2=8.282

assign ( resid 65 and name HB2
	 )
       ( resid 69 and name H
	 ) 5.2 1.0 1.0 volume=12884745.125 peak=2640 ppm1=3.616 ppm2=8.010

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name H
	 ) 3.2 0.6 0.6 volume=255085501.500 peak=2641 ppm1=3.611 ppm2=8.739

assign ( resid 65 and name HB3
	 )
       ( resid 65 and name H
	 ) 3.1 0.6 0.6 volume=316278897.500 peak=2642 ppm1=3.204 ppm2=8.738

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HA
	 ) 3.0 0.6 0.6 volume=179945505.750 peak=2643 ppm1=3.612 ppm2=4.508

assign ( resid 65 and name HA
	 )
       ( resid 65 and name HB3
	 ) 3.3 0.7 0.7 volume=131861009.500 peak=2644 ppm1=4.508 ppm2=3.203

assign ( resid 62 and name HA
	 )
       ( resid 65 and name HB2
	 ) 3.6 0.7 0.7 volume=130187062.500 peak=2645 ppm1=4.058 ppm2=3.624

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HA
	 ) 3.4 0.7 0.7 volume=150243481.250 peak=2646 ppm1=3.204 ppm2=4.066

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HB3
	 ) 2.6 0.5 0.5 volume=784382158.000 peak=2647 ppm1=3.612 ppm2=3.207

assign ( resid 64 and name HB2
	 )
       ( resid 65 and name HB2
	 ) 4.6 0.9 0.9 volume=29353528.938 peak=2649 ppm1=2.765 ppm2=3.634

assign ( resid 65 and name HB2
	 )
       ( resid 30 and name HB3
	 ) 3.8 0.8 0.8 volume=84892037.750 peak=2650 ppm1=3.614 ppm2=2.093

assign ( resid 65 and name HB2
	 )
       ( resid 30 and name HB2
	 or resid 66 and name HB3
	 ) 3.8 0.8 0.8 volume=82241822.625 peak=2651 ppm1=3.608 ppm2=2.035

assign ( resid 65 and name HB3
	 )
       ( resid 30 and name HB3
	 ) 4.0 0.8 0.8 volume=69561920.250 peak=2652 ppm1=3.207 ppm2=2.086

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HB3
	 ) 3.9 0.8 0.8 volume=76810819.125 peak=2653 ppm1=3.204 ppm2=2.030

assign ( resid 65 and name HB2
	 )
       ( resid 68 and name HG2#
	 ) 4.9 1.0 1.0 volume=19814814.438 peak=2656 ppm1=3.614 ppm2=1.275

assign ( resid 65 and name HB3
	 )
       ( resid 68 and name HG2#
	 ) 4.8 1.0 1.0 volume=21137379.875 peak=2657 ppm1=3.201 ppm2=1.273

assign ( resid 65 and name HB2
	 )
       ( resid 62 and name HD1#
	 ) 3.5 0.7 0.7 volume=140981361.750 peak=2658 ppm1=3.612 ppm2=0.884

assign ( resid 62 and name HD1#
	 )
       ( resid 65 and name HB3
	 ) 3.4 0.7 0.7 volume=172157519.500 peak=2659 ppm1=0.891 ppm2=3.196

assign ( resid 35 and name HD2#
	 )
       ( resid 34 and name HA
	 ) 4.9 1.0 1.0 volume=18182467.203 peak=2661 ppm1=0.624 ppm2=3.724

assign ( resid 37 and name HB2
	 )
       ( resid 35 and name HD2#
	 ) 4.9 1.0 1.0 volume=17020223.969 peak=2662 ppm1=2.925 ppm2=0.636

assign ( resid 79 and name HG13
	 )
       ( resid 49 and name HB2
	 ) 4.7 0.9 0.9 volume=25505803.500 peak=2663 ppm1=0.624 ppm2=2.675

assign ( resid 65 and name HD2
	 )
       ( resid 62 and name HG
	 ) 5.5 1.1 1.1 volume=9766630.953 peak=2664 ppm1=7.180 ppm2=1.267

assign ( resid 54 and name HZ
	 )
       ( resid 54 and name HA
	 ) 5.3 1.1 1.1 volume=12428661.344 peak=2665 ppm1=6.917 ppm2=4.102

assign ( resid 49 and name HD#
	 )
       ( resid 85 and name HD3
	 ) 4.6 0.9 0.9 volume=16436517.328 peak=2666 ppm1=6.909 ppm2=2.491

assign ( resid 49 and name HD#
	 )
       ( resid 59 and name HB#
	 ) 5.2 1.0 1.0 volume=13288870.922 peak=2667 ppm1=6.915 ppm2=1.437

assign ( resid 54 and name HE#
	 )
       ( resid 62 and name HB3
	 ) 3.8 0.8 0.8 volume=94873111.875 peak=2668 ppm1=7.219 ppm2=1.495

assign ( resid 15 and name HB
	 )
       ( resid 18 and name H
	 ) 4.4 0.9 0.9 volume=38979824.344 peak=2669 ppm1=4.745 ppm2=7.614

assign ( resid 15 and name HB
	 )
       ( resid 17 and name H
	 ) 4.1 0.8 0.8 volume=59000889.875 peak=2670 ppm1=4.746 ppm2=8.242

assign ( resid 15 and name HB
	 )
       ( resid 15 and name H
	 ) 4.2 0.8 0.8 volume=46391482.438 peak=2671 ppm1=4.748 ppm2=8.875

assign ( resid 15 and name HB
	 )
       ( resid 16 and name H
	 ) 3.9 0.8 0.8 volume=76099539.359 peak=2672 ppm1=4.747 ppm2=9.096

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB
	 ) 3.2 0.6 0.6 volume=249175799.000 peak=2673 ppm1=4.393 ppm2=4.758

assign ( resid 15 and name HB
	 )
       ( resid 17 and name HB
	 ) 4.2 0.8 0.8 volume=47139656.156 peak=2674 ppm1=4.745 ppm2=4.133

assign ( resid 15 and name HG2#
	 )
       ( resid 15 and name HB
	 ) 2.7 0.5 0.5 volume=705076720.000 peak=2676 ppm1=1.420 ppm2=4.749

assign ( resid 5 and name HB
	 )
       ( resid 6 and name HA
	 ) 4.2 0.8 0.8 volume=51507776.250 peak=2677 ppm1=4.411 ppm2=4.189

assign ( resid 83 and name HA
	 )
       ( resid 84 and name H
	 ) 3.4 0.7 0.7 volume=169661055.000 peak=2678 ppm1=5.094 ppm2=7.327

assign ( resid 83 and name HA
	 )
       ( resid 49 and name HD#
	 ) 3.0 0.6 0.6 volume=342755738.500 peak=2679 ppm1=5.093 ppm2=6.911

assign ( resid 83 and name HA
	 )
       ( resid 83 and name HB2
	 ) 3.6 0.7 0.7 volume=124589754.250 peak=2683 ppm1=5.094 ppm2=1.958

assign ( resid 45 and name HB
	 )
       ( resid 47 and name H
	 ) 4.9 1.0 1.0 volume=20013594.875 peak=2684 ppm1=4.062 ppm2=7.522

assign ( resid 45 and name HB
	 )
       ( resid 45 and name HA
	 ) 2.9 0.6 0.6 volume=413276752.500 peak=2686 ppm1=4.066 ppm2=3.914

assign ( resid 45 and name HB
	 )
       ( resid 24 and name HD2
	 ) 4.6 0.9 0.9 volume=26303474.250 peak=2687 ppm1=4.066 ppm2=3.027

assign ( resid 17 and name HB
	 )
       ( resid 20 and name HD3
	 ) 5.1 1.0 1.0 volume=14832695.594 peak=2688 ppm1=4.103 ppm2=3.214

assign ( resid 17 and name HB
	 )
       ( resid 14 and name HB2
	 ) 4.3 0.9 0.9 volume=40271649.250 peak=2689 ppm1=4.111 ppm2=1.933

assign ( resid 58 and name HB
	 )
       ( resid 59 and name H
	 ) 4.0 0.8 0.8 volume=67694374.500 peak=2690 ppm1=4.139 ppm2=9.068

assign ( resid 58 and name HB
	 )
       ( resid 54 and name HB3
	 ) 4.7 0.9 0.9 volume=25975388.219 peak=2691 ppm1=4.143 ppm2=2.682

assign ( resid 58 and name HB
	 )
       ( resid 61 and name HG3
	 ) 3.8 0.8 0.8 volume=82272920.375 peak=2692 ppm1=4.138 ppm2=2.192

assign ( resid 58 and name HB
	 )
       ( resid 58 and name HG2#
	 ) 2.5 0.5 0.5 volume=1054721180.000 peak=2693 ppm1=4.137 ppm2=1.257

assign ( resid 68 and name HB
	 )
       ( resid 68 and name H
	 ) 2.8 0.6 0.6 volume=505178251.000 peak=2694 ppm1=4.266 ppm2=8.287

assign ( resid 68 and name HB
	 )
       ( resid 67 and name H
	 ) 4.5 0.9 0.9 volume=30817376.664 peak=2695 ppm1=4.260 ppm2=8.886

assign ( resid 68 and name HB
	 )
       ( resid 66 and name H
	 ) 4.9 1.0 1.0 volume=19478837.938 peak=2696 ppm1=4.267 ppm2=8.767

assign ( resid 8 and name HB
	 )
       ( resid 10 and name H
	 ) 4.7 0.9 0.9 volume=23582566.094 peak=2697 ppm1=4.262 ppm2=7.748

assign ( resid 68 and name HB
	 )
       ( resid 70 and name H
	 ) 4.9 1.0 1.0 volume=19846769.469 peak=2698 ppm1=4.272 ppm2=7.619

assign ( resid 65 and name HA
	 )
       ( resid 68 and name HB
	 ) 3.2 0.6 0.6 volume=181948786.750 peak=2699 ppm1=4.505 ppm2=4.271

assign ( resid 68 and name HB
	 )
       ( resid 65 and name HB2
	 ) 4.7 0.9 0.9 volume=23546027.688 peak=2701 ppm1=4.268 ppm2=3.606

assign ( resid 68 and name HB
	 )
       ( resid 65 and name HB3
	 ) 5.3 1.1 1.1 volume=12284454.266 peak=2702 ppm1=4.265 ppm2=3.187

assign ( resid 68 and name HB
	 )
       ( resid 67 and name HG2
	 ) 4.8 1.0 1.0 volume=23033602.844 peak=2703 ppm1=4.277 ppm2=2.580

assign ( resid 68 and name HB
	 )
       ( resid 67 and name HB3
	 ) 5.0 1.0 1.0 volume=16973040.523 peak=2704 ppm1=4.267 ppm2=2.273

assign ( resid 68 and name HB
	 )
       ( resid 66 and name HB3
	 ) 4.8 1.0 1.0 volume=22731164.344 peak=2705 ppm1=4.270 ppm2=2.045

assign ( resid 8 and name HB
	 )
       ( resid 6 and name HB3
	 ) 4.9 1.0 1.0 volume=18916106.758 peak=2706 ppm1=4.271 ppm2=1.677

assign ( resid 23 and name HA
	 )
       ( resid 25 and name H
	 ) 4.5 0.9 0.9 volume=31394725.000 peak=2707 ppm1=4.096 ppm2=7.682

assign ( resid 23 and name HB
	 )
       ( resid 27 and name H
	 ) 4.5 0.9 0.9 volume=32841733.750 peak=2708 ppm1=3.807 ppm2=7.954

assign ( resid 23 and name HB
	 )
       ( resid 26 and name HG
	 ) 4.3 0.9 0.9 volume=44054254.625 peak=2709 ppm1=3.803 ppm2=1.629

assign ( resid 8 and name HA
	 )
       ( resid 7 and name H
	 ) 4.9 1.0 1.0 volume=20331441.500 peak=2710 ppm1=3.712 ppm2=8.336

assign ( resid 34 and name HA
	 )
       ( resid 61 and name HG2
	 ) 4.9 1.0 1.0 volume=18506104.250 peak=2711 ppm1=3.712 ppm2=2.436

assign ( resid 85 and name HA
	 )
       ( resid 87 and name H
	 ) 4.8 1.0 1.0 volume=20424403.500 peak=2712 ppm1=4.090 ppm2=8.255

assign ( resid 85 and name HA
	 )
       ( resid 84 and name H
	 ) 5.1 1.0 1.0 volume=15240766.156 peak=2713 ppm1=4.088 ppm2=7.330

assign ( resid 68 and name HA
	 )
       ( resid 67 and name HB3
	 ) 4.4 0.9 0.9 volume=37073810.375 peak=2714 ppm1=3.965 ppm2=2.280

assign ( resid 17 and name HA
	 )
       ( resid 20 and name HB2
	 ) 3.4 0.7 0.7 volume=183513160.000 peak=2715 ppm1=3.978 ppm2=1.943

assign ( resid 68 and name HA
	 )
       ( resid 6 and name HD2#
	 or resid 6 and name HD1#
	 ) 4.6 0.9 0.9 volume=29545688.250 peak=2716 ppm1=3.947 ppm2=0.920

assign ( resid 17 and name HA
	 )
       ( resid 93 and name HD2#
	 ) 4.5 0.9 0.9 volume=33161149.812 peak=2717 ppm1=3.971 ppm2=0.813

assign ( resid 48 and name HB2
	 )
       ( resid 49 and name HD#
	 ) 4.9 1.0 1.0 volume=18450048.750 peak=2718 ppm1=4.401 ppm2=6.915

assign ( resid 48 and name HB3
	 )
       ( resid 51 and name HB2
	 ) 4.3 0.9 0.9 volume=28221122.562 peak=2719 ppm1=4.037 ppm2=2.995

assign ( resid 48 and name HB3
	 )
       ( resid 51 and name HB3
	 ) 4.7 0.9 0.9 volume=24144506.031 peak=2720 ppm1=4.036 ppm2=2.826

assign ( resid 48 and name HB2
	 )
       ( resid 49 and name HB2
	 ) 4.7 0.9 0.9 volume=23873982.125 peak=2721 ppm1=4.397 ppm2=2.686

assign ( resid 48 and name HB2
	 )
       ( resid 47 and name HG2
	 or resid 83 and name HB3
	 ) 4.8 1.0 1.0 volume=22706810.734 peak=2722 ppm1=4.399 ppm2=2.293

assign ( resid 48 and name HB2
	 )
       ( resid 50 and name HG3
	 ) 4.9 1.0 1.0 volume=20329524.688 peak=2723 ppm1=4.393 ppm2=1.509

assign ( resid 58 and name HA
	 )
       ( resid 54 and name HD#
	 ) 4.5 0.9 0.9 volume=29997629.875 peak=2724 ppm1=4.118 ppm2=7.394

assign ( resid 58 and name HA
	 )
       ( resid 54 and name HE#
	 ) 3.7 0.7 0.7 volume=102046254.500 peak=2725 ppm1=4.118 ppm2=7.206

assign ( resid 58 and name HA
	 )
       ( resid 58 and name H
	 ) 3.2 0.6 0.6 volume=230469177.000 peak=2726 ppm1=4.119 ppm2=8.993

assign ( resid 58 and name HA
	 )
       ( resid 62 and name H
	 ) 3.8 0.8 0.8 volume=88102210.375 peak=2727 ppm1=4.119 ppm2=8.493

assign ( resid 58 and name HA
	 )
       ( resid 57 and name H
	 ) 4.5 0.9 0.9 volume=31092481.125 peak=2728 ppm1=4.119 ppm2=8.360

assign ( resid 58 and name HA
	 )
       ( resid 59 and name H
	 ) 3.7 0.7 0.7 volume=100346355.625 peak=2729 ppm1=4.118 ppm2=9.077

assign ( resid 58 and name HA
	 )
       ( resid 55 and name H
	 ) 5.3 1.1 1.1 volume=11401666.543 peak=2730 ppm1=4.122 ppm2=8.163

assign ( resid 58 and name HA
	 )
       ( resid 61 and name HG2
	 ) 3.4 0.7 0.7 volume=159826790.250 peak=2731 ppm1=4.119 ppm2=2.428

assign ( resid 58 and name HA
	 )
       ( resid 61 and name HG3
	 ) 2.8 0.6 0.6 volume=520045345.000 peak=2732 ppm1=4.119 ppm2=2.178

assign ( resid 58 and name HA
	 )
       ( resid 60 and name HB3
	 ) 4.2 0.8 0.8 volume=49350859.094 peak=2733 ppm1=4.116 ppm2=1.904

assign ( resid 58 and name HA
	 )
       ( resid 59 and name HB#
	 ) 4.5 0.9 0.9 volume=32559820.625 peak=2735 ppm1=4.120 ppm2=1.399

assign ( resid 34 and name HG2#
	 )
       ( resid 58 and name HA
	 ) 2.7 0.5 0.5 volume=270024309.000 peak=2737 ppm1=1.003 ppm2=4.137

assign ( resid 58 and name HA
	 )
       ( resid 34 and name HG1#
	 ) 4.1 0.8 0.8 volume=54269957.375 peak=2738 ppm1=4.118 ppm2=0.870

assign ( resid 96 and name HG2#
	 )
       ( resid 97 and name HA
	 ) 4.1 0.8 0.8 volume=57457598.500 peak=2739 ppm1=0.910 ppm2=4.479

assign ( resid 97 and name HA
	 )
       ( resid 99 and name HG12
	 ) 4.6 0.9 0.9 volume=28988681.016 peak=2740 ppm1=4.468 ppm2=1.234

assign ( resid 70 and name HA
	 )
       ( resid 72 and name H
	 ) 4.4 0.9 0.9 volume=35133609.688 peak=2741 ppm1=4.505 ppm2=7.753

assign ( resid 70 and name HA
	 )
       ( resid 70 and name H
	 ) 3.5 0.7 0.7 volume=137009354.500 peak=2742 ppm1=4.506 ppm2=7.635

assign ( resid 70 and name HA
	 )
       ( resid 8 and name H
	 or resid 69 and name H
	 ) 4.4 0.9 0.9 volume=37823249.969 peak=2743 ppm1=4.503 ppm2=8.011

assign ( resid 70 and name HA
	 )
       ( resid 7 and name H
	 ) 3.5 0.7 0.7 volume=143446742.000 peak=2744 ppm1=4.506 ppm2=8.330

assign ( resid 70 and name HA
	 )
       ( resid 71 and name H
	 ) 4.0 0.8 0.8 volume=69601836.812 peak=2745 ppm1=4.505 ppm2=8.644

assign ( resid 70 and name HB
	 )
       ( resid 70 and name HA
	 ) 2.9 0.6 0.6 volume=469205824.000 peak=2746 ppm1=4.131 ppm2=4.508

assign ( resid 70 and name HA
	 )
       ( resid 7 and name HB2
	 ) 3.6 0.7 0.7 volume=122387776.000 peak=2747 ppm1=4.506 ppm2=1.846

assign ( resid 70 and name HA
	 )
       ( resid 6 and name HB3
	 ) 3.7 0.7 0.7 volume=107559801.750 peak=2748 ppm1=4.509 ppm2=1.666

assign ( resid 70 and name HA
	 )
       ( resid 70 and name HG2#
	 ) 2.7 0.5 0.5 volume=678762717.000 peak=2749 ppm1=4.505 ppm2=1.299

assign ( resid 70 and name HA
	 )
       ( resid 6 and name HD1#
	 or resid 7 and name HD1#
	 ) 3.1 0.6 0.6 volume=287160610.000 peak=2750 ppm1=4.505 ppm2=0.896

assign ( resid 79 and name HA
	 )
       ( resid 78 and name H
	 ) 4.8 1.0 1.0 volume=20647625.812 peak=2751 ppm1=3.845 ppm2=7.353

assign ( resid 79 and name HA
	 )
       ( resid 49 and name HZ
	 ) 4.9 1.0 1.0 volume=17908873.094 peak=2752 ppm1=3.842 ppm2=6.584

assign ( resid 79 and name HA
	 )
       ( resid 83 and name HA
	 ) 4.2 0.8 0.8 volume=23940515.250 peak=2753 ppm1=3.845 ppm2=5.103

assign ( resid 79 and name HA
	 )
       ( resid 80 and name HB2
	 ) 4.9 1.0 1.0 volume=19230420.031 peak=2754 ppm1=3.852 ppm2=2.882

assign ( resid 79 and name HA
	 )
       ( resid 49 and name HB2
	 ) 4.7 0.9 0.9 volume=24343571.219 peak=2755 ppm1=3.841 ppm2=2.688

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name H
	 ) 3.1 0.6 0.6 volume=321480088.000 peak=2756 ppm1=3.992 ppm2=7.896

assign ( resid 9 and name HB2
	 )
       ( resid 10 and name H
	 ) 3.2 0.6 0.6 volume=227795477.000 peak=2757 ppm1=3.992 ppm2=7.743

assign ( resid 9 and name HB2
	 )
       ( resid 8 and name H
	 ) 4.3 0.9 0.9 volume=41633386.750 peak=2758 ppm1=3.995 ppm2=8.032

assign ( resid 9 and name HB2
	 )
       ( resid 6 and name H
	 ) 4.8 1.0 1.0 volume=22766859.703 peak=2759 ppm1=3.995 ppm2=8.230

assign ( resid 9 and name HB2
	 )
       ( resid 5 and name HA
	 ) 4.2 0.8 0.8 volume=48786025.906 peak=2760 ppm1=3.987 ppm2=4.426

assign ( resid 56 and name HA
	 )
       ( resid 60 and name HG
	 ) 3.9 0.8 0.8 volume=77332901.125 peak=2761 ppm1=4.000 ppm2=1.929

assign ( resid 9 and name HB2
	 )
       ( resid 5 and name HG2#
	 ) 3.7 0.7 0.7 volume=106945460.375 peak=2762 ppm1=3.993 ppm2=1.260

assign ( resid 76 and name HA
	 )
       ( resid 60 and name HD2#
	 ) 3.0 0.6 0.6 volume=382735411.000 peak=2763 ppm1=4.002 ppm2=1.024

assign ( resid 33 and name HB2
	 )
       ( resid 34 and name H
	 ) 3.0 0.6 0.6 volume=386125251.000 peak=2764 ppm1=4.055 ppm2=8.023

assign ( resid 33 and name HB2
	 )
       ( resid 33 and name H
	 ) 2.6 0.5 0.5 volume=877570436.000 peak=2765 ppm1=4.055 ppm2=7.683

assign ( resid 33 and name HB2
	 )
       ( resid 65 and name HE1
	 ) 4.4 0.9 0.9 volume=35485287.188 peak=2766 ppm1=4.058 ppm2=8.189

assign ( resid 33 and name HB2
	 )
       ( resid 31 and name H
	 ) 4.9 1.0 1.0 volume=18080575.492 peak=2767 ppm1=4.057 ppm2=8.906

assign ( resid 33 and name HB2
	 )
       ( resid 32 and name H
	 ) 4.0 0.8 0.8 volume=63066269.250 peak=2768 ppm1=4.058 ppm2=8.753

assign ( resid 33 and name HB2
	 )
       ( resid 65 and name HD2
	 ) 3.9 0.8 0.8 volume=78348355.625 peak=2769 ppm1=4.049 ppm2=7.184

assign ( resid 33 and name HB2
	 )
       ( resid 30 and name HE21
	 ) 4.8 1.0 1.0 volume=21071248.062 peak=2770 ppm1=4.055 ppm2=6.896

assign ( resid 33 and name HB2
	 )
       ( resid 32 and name HB#
	 ) 3.7 0.7 0.7 volume=102613571.750 peak=2771 ppm1=4.057 ppm2=1.528

assign ( resid 33 and name HB2
	 )
       ( resid 34 and name HG1#
	 ) 3.4 0.7 0.7 volume=170921383.500 peak=2772 ppm1=4.054 ppm2=0.857

assign ( resid 56 and name HA
	 )
       ( resid 57 and name H
	 ) 3.5 0.7 0.7 volume=141160640.500 peak=2773 ppm1=4.018 ppm2=8.362

assign ( resid 56 and name HA
	 )
       ( resid 59 and name H
	 ) 4.5 0.9 0.9 volume=32587076.094 peak=2774 ppm1=4.017 ppm2=9.069

assign ( resid 56 and name HA
	 )
       ( resid 58 and name H
	 ) 5.1 1.0 1.0 volume=15138795.141 peak=2775 ppm1=4.019 ppm2=8.974

assign ( resid 56 and name HA
	 )
       ( resid 60 and name H
	 ) 4.0 0.8 0.8 volume=65244200.500 peak=2776 ppm1=4.020 ppm2=7.224

assign ( resid 57 and name HG
	 )
       ( resid 56 and name HA
	 ) 3.9 0.8 0.8 volume=78313301.375 peak=2777 ppm1=1.734 ppm2=4.013

assign ( resid 56 and name HA
	 )
       ( resid 59 and name HB#
	 ) 3.2 0.6 0.6 volume=261560213.500 peak=2778 ppm1=4.008 ppm2=1.422

assign ( resid 5 and name HA
	 )
       ( resid 4 and name HB#
	 ) 3.4 0.7 0.7 volume=176580936.750 peak=2779 ppm1=4.434 ppm2=1.427

assign ( resid 9 and name HA
	 )
       ( resid 13 and name H
	 ) 4.6 0.9 0.9 volume=27083434.875 peak=2780 ppm1=4.311 ppm2=8.749

assign ( resid 9 and name HA
	 )
       ( resid 8 and name HA
	 ) 4.4 0.9 0.9 volume=36469136.250 peak=2781 ppm1=4.299 ppm2=3.713

assign ( resid 77 and name HA
	 )
       ( resid 77 and name H
	 ) 3.4 0.7 0.7 volume=161769161.250 peak=2782 ppm1=4.407 ppm2=7.878

assign ( resid 77 and name HA
	 )
       ( resid 78 and name H
	 ) 3.4 0.7 0.7 volume=163824505.750 peak=2783 ppm1=4.405 ppm2=7.359

assign ( resid 77 and name HA
	 )
       ( resid 80 and name HE#
	 ) 3.9 0.8 0.8 volume=50253151.250 peak=2784 ppm1=4.408 ppm2=7.250

assign ( resid 80 and name HD#
	 )
       ( resid 77 and name HA
	 ) 3.1 0.6 0.6 volume=288674776.000 peak=2785 ppm1=7.115 ppm2=4.411

assign ( resid 77 and name HA
	 )
       ( resid 80 and name HB3
	 ) 4.4 0.9 0.9 volume=34241639.938 peak=2786 ppm1=4.408 ppm2=3.236

assign ( resid 77 and name HA
	 )
       ( resid 80 and name HB2
	 ) 4.0 0.8 0.8 volume=61707845.000 peak=2787 ppm1=4.404 ppm2=2.888

assign ( resid 15 and name HA
	 )
       ( resid 18 and name HB2
	 ) 4.3 0.9 0.9 volume=40919590.875 peak=2788 ppm1=4.391 ppm2=2.397

assign ( resid 77 and name HA
	 )
       ( resid 78 and name HB2
	 ) 4.7 0.9 0.9 volume=26183353.883 peak=2789 ppm1=4.401 ppm2=2.110

assign ( resid 15 and name HA
	 )
       ( resid 14 and name HB3
	 ) 4.3 0.9 0.9 volume=44481511.500 peak=2790 ppm1=4.395 ppm2=1.747

assign ( resid 15 and name HA
	 )
       ( resid 16 and name HB#
	 ) 3.6 0.7 0.7 volume=126122915.125 peak=2791 ppm1=4.393 ppm2=1.547

assign ( resid 77 and name HA
	 )
       ( resid 60 and name HD2#
	 or resid 78 and name HD2#
	 ) 4.8 1.0 1.0 volume=21909635.672 peak=2794 ppm1=4.409 ppm2=1.003

assign ( resid 63 and name HA
	 )
       ( resid 63 and name H
	 ) 3.2 0.6 0.6 volume=253209266.500 peak=2795 ppm1=3.639 ppm2=7.636

assign ( resid 63 and name HA
	 )
       ( resid 62 and name H
	 ) 5.0 1.0 1.0 volume=17294754.297 peak=2796 ppm1=3.635 ppm2=8.491

assign ( resid 63 and name HA
	 )
       ( resid 64 and name H
	 ) 3.5 0.7 0.7 volume=150376353.000 peak=2797 ppm1=3.638 ppm2=8.796

assign ( resid 63 and name HA
	 )
       ( resid 63 and name HE
	 ) 4.9 1.0 1.0 volume=19936556.969 peak=2798 ppm1=3.646 ppm2=7.052

assign ( resid 63 and name HA
	 )
       ( resid 65 and name HB3
	 ) 4.5 0.9 0.9 volume=33626310.562 peak=2799 ppm1=3.640 ppm2=3.252

assign ( resid 63 and name HA
	 )
       ( resid 67 and name HG2
	 ) 5.1 1.0 1.0 volume=15122003.137 peak=2800 ppm1=3.639 ppm2=2.635

assign ( resid 63 and name HA
	 )
       ( resid 63 and name HB2
	 ) 3.4 0.7 0.7 volume=169513752.000 peak=2801 ppm1=3.640 ppm2=2.297

assign ( resid 63 and name HA
	 )
       ( resid 63 and name HB3
	 ) 2.8 0.6 0.6 volume=526683932.000 peak=2802 ppm1=3.642 ppm2=2.044

assign ( resid 63 and name HA
	 )
       ( resid 62 and name HB2
	 ) 3.9 0.8 0.8 volume=80112004.875 peak=2803 ppm1=3.640 ppm2=1.816

assign ( resid 63 and name HA
	 )
       ( resid 62 and name HB3
	 or resid 74 and name HB3
	 ) 4.1 0.8 0.8 volume=59713024.375 peak=2804 ppm1=3.639 ppm2=1.518

assign ( resid 63 and name HA
	 )
       ( resid 74 and name HB2
	 ) 3.3 0.7 0.7 volume=220915799.500 peak=2805 ppm1=3.638 ppm2=1.362

assign ( resid 63 and name HA
	 )
       ( resid 74 and name HD2#
	 or resid 78 and name HD1#
	 ) 2.9 0.6 0.6 volume=473858696.000 peak=2807 ppm1=3.638 ppm2=0.811

assign ( resid 24 and name HA
	 )
       ( resid 24 and name H
	 ) 3.1 0.6 0.6 volume=295999669.000 peak=2808 ppm1=3.736 ppm2=8.571

assign ( resid 24 and name HA
	 )
       ( resid 28 and name H
	 ) 4.1 0.8 0.8 volume=55799966.250 peak=2809 ppm1=3.739 ppm2=8.377

assign ( resid 24 and name HA
	 )
       ( resid 27 and name H
	 ) 3.7 0.7 0.7 volume=107617075.375 peak=2810 ppm1=3.736 ppm2=7.965

assign ( resid 24 and name HA
	 )
       ( resid 26 and name H
	 ) 4.4 0.9 0.9 volume=35996201.500 peak=2811 ppm1=3.735 ppm2=7.808

assign ( resid 24 and name HA
	 )
       ( resid 25 and name H
	 ) 3.7 0.7 0.7 volume=100173364.500 peak=2812 ppm1=3.737 ppm2=7.672

assign ( resid 24 and name HA
	 )
       ( resid 23 and name HA
	 ) 4.0 0.8 0.8 volume=64729698.500 peak=2813 ppm1=3.736 ppm2=4.112

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HD2
	 ) 4.1 0.8 0.8 volume=54784539.125 peak=2815 ppm1=3.733 ppm2=3.033

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HB3
	 ) 4.6 0.9 0.9 volume=29542348.094 peak=2818 ppm1=3.735 ppm2=1.550

assign ( resid 24 and name HA
	 )
       ( resid 89 and name HB#
	 ) 2.8 0.6 0.6 volume=604755111.000 peak=2819 ppm1=3.736 ppm2=1.402

assign ( resid 24 and name HA
	 )
       ( resid 27 and name HG1#
	 ) 3.3 0.7 0.7 volume=223371170.750 peak=2820 ppm1=3.735 ppm2=1.095

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HD1#
	 ) 4.1 0.8 0.8 volume=60135153.125 peak=2821 ppm1=3.734 ppm2=0.891

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HD2#
	 ) 3.9 0.8 0.8 volume=70164085.250 peak=2822 ppm1=3.733 ppm2=0.789

assign ( resid 20 and name HA
	 )
       ( resid 19 and name H
	 ) 4.9 1.0 1.0 volume=18596162.859 peak=2823 ppm1=3.901 ppm2=9.166

assign ( resid 86 and name HA
	 )
       ( resid 24 and name H
	 or resid 88 and name H
	 or resid 89 and name H
	 ) 3.3 0.7 0.7 volume=213765103.000 peak=2824 ppm1=3.907 ppm2=8.570

assign ( resid 20 and name HA
	 )
       ( resid 19 and name HB3
	 ) 4.6 0.9 0.9 volume=29481612.562 peak=2825 ppm1=3.903 ppm2=2.466

assign ( resid 78 and name HA
	 )
       ( resid 77 and name H
	 ) 4.7 0.9 0.9 volume=23712878.688 peak=2826 ppm1=4.038 ppm2=7.876

assign ( resid 78 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 4.7 0.9 0.9 volume=25823812.250 peak=2827 ppm1=4.044 ppm2=-0.149

assign ( resid 54 and name HA
	 )
       ( resid 53 and name H
	 ) 4.6 0.9 0.9 volume=27202543.812 peak=2828 ppm1=4.088 ppm2=7.762

assign ( resid 54 and name HA
	 )
       ( resid 59 and name HA
	 ) 4.4 0.9 0.9 volume=38854999.969 peak=2829 ppm1=4.104 ppm2=3.853

assign ( resid 54 and name HA
	 )
       ( resid 35 and name HD2#
	 ) 4.6 0.9 0.9 volume=26830524.750 peak=2830 ppm1=4.084 ppm2=0.628

assign ( resid 67 and name HA
	 )
       ( resid 74 and name H
	 ) 4.9 1.0 1.0 volume=19472600.984 peak=2831 ppm1=4.179 ppm2=9.307

assign ( resid 67 and name HA
	 )
       ( resid 69 and name H
	 ) 4.8 1.0 1.0 volume=22352988.469 peak=2832 ppm1=4.170 ppm2=8.012

assign ( resid 50 and name HA
	 )
       ( resid 80 and name HE#
	 ) 4.9 1.0 1.0 volume=19384038.062 peak=2833 ppm1=4.306 ppm2=7.230

assign ( resid 50 and name HA
	 )
       ( resid 79 and name HD1#
	 ) 4.6 0.9 0.9 volume=27937323.906 peak=2834 ppm1=4.308 ppm2=0.008

assign ( resid 90 and name HA
	 )
       ( resid 92 and name H
	 ) 4.2 0.8 0.8 volume=45696402.062 peak=2835 ppm1=3.874 ppm2=8.448

assign ( resid 19 and name HA
	 )
       ( resid 23 and name HG2#
	 ) 4.5 0.9 0.9 volume=30688004.594 peak=2836 ppm1=3.859 ppm2=1.234

assign ( resid 25 and name HA
	 )
       ( resid 26 and name HA
	 ) 4.3 0.9 0.9 volume=40299403.500 peak=2837 ppm1=3.983 ppm2=4.316

assign ( resid 25 and name HA
	 )
       ( resid 40 and name HG2#
	 ) 4.4 0.9 0.9 volume=37571747.750 peak=2838 ppm1=3.979 ppm2=1.295

assign ( resid 28 and name HA
	 )
       ( resid 37 and name HD#
	 ) 5.1 1.0 1.0 volume=15799457.281 peak=2839 ppm1=3.993 ppm2=7.032

assign ( resid 28 and name HA
	 )
       ( resid 27 and name HA
	 ) 4.9 1.0 1.0 volume=18897700.656 peak=2840 ppm1=3.987 ppm2=3.453

assign ( resid 28 and name HA
	 )
       ( resid 62 and name HD2#
	 ) 4.8 1.0 1.0 volume=22843033.547 peak=2841 ppm1=3.988 ppm2=0.241

assign ( resid 61 and name HA
	 )
       ( resid 64 and name H
	 ) 3.5 0.7 0.7 volume=150833968.000 peak=2842 ppm1=4.186 ppm2=8.809

assign ( resid 61 and name HA
	 )
       ( resid 65 and name H
	 ) 4.0 0.8 0.8 volume=65538685.125 peak=2843 ppm1=4.186 ppm2=8.714

assign ( resid 64 and name HB2
	 )
       ( resid 61 and name HA
	 ) 3.3 0.7 0.7 volume=181908872.500 peak=2845 ppm1=2.761 ppm2=4.188

assign ( resid 18 and name HB2
	 )
       ( resid 18 and name HA
	 ) 2.8 0.6 0.6 volume=557856010.000 peak=2846 ppm1=2.397 ppm2=4.185

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HB3
	 ) 2.6 0.5 0.5 volume=924275704.000 peak=2847 ppm1=4.189 ppm2=2.079

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HB#
	 ) 2.7 0.5 0.5 volume=640525198.000 peak=2848 ppm1=4.184 ppm2=1.585

assign ( resid 18 and name HA
	 )
       ( resid 14 and name HB3
	 or resid 20 and name HG2
	 ) 4.2 0.8 0.8 volume=47558363.375 peak=2849 ppm1=4.187 ppm2=1.737

assign ( resid 18 and name HA
	 )
       ( resid 17 and name HG2#
	 ) 3.6 0.7 0.7 volume=112651858.500 peak=2850 ppm1=4.185 ppm2=1.303

assign ( resid 22 and name HG1#
	 )
       ( resid 18 and name HA
	 ) 3.5 0.7 0.7 volume=88895346.375 peak=2851 ppm1=0.864 ppm2=4.166

assign ( resid 91 and name HA
	 )
       ( resid 95 and name HE22
	 ) 4.9 1.0 1.0 volume=19093579.375 peak=2852 ppm1=4.218 ppm2=6.402

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HG2
	 ) 3.1 0.6 0.6 volume=313217337.500 peak=2853 ppm1=4.215 ppm2=2.317

assign ( resid 91 and name HA
	 )
       ( resid 93 and name HD2#
	 ) 4.4 0.9 0.9 volume=36740445.625 peak=2854 ppm1=4.217 ppm2=0.781

assign ( resid 96 and name HA
	 )
       ( resid 98 and name H
	 ) 4.8 1.0 1.0 volume=22197558.969 peak=2855 ppm1=4.344 ppm2=8.487

assign ( resid 96 and name HA
	 )
       ( resid 95 and name H
	 ) 4.8 1.0 1.0 volume=21227240.094 peak=2856 ppm1=4.331 ppm2=7.463

assign ( resid 96 and name HA
	 )
       ( resid 4 and name HB#
	 ) 4.4 0.9 0.9 volume=38041987.375 peak=2857 ppm1=4.333 ppm2=1.428

assign ( resid 26 and name HA
	 )
       ( resid 27 and name HG1#
	 ) 4.9 1.0 1.0 volume=18272528.531 peak=2858 ppm1=4.342 ppm2=1.084

assign ( resid 65 and name HA
	 )
       ( resid 67 and name H
	 ) 4.3 0.9 0.9 volume=43994601.875 peak=2859 ppm1=4.510 ppm2=8.860

assign ( resid 65 and name HA
	 )
       ( resid 65 and name HE1
	 ) 4.8 1.0 1.0 volume=21882440.531 peak=2860 ppm1=4.507 ppm2=8.162

assign ( resid 65 and name HA
	 )
       ( resid 62 and name HA
	 ) 4.1 0.8 0.8 volume=52504684.000 peak=2861 ppm1=4.507 ppm2=4.098

assign ( resid 80 and name HA
	 )
       ( resid 83 and name HA
	 ) 4.9 1.0 1.0 volume=18474780.734 peak=2863 ppm1=4.507 ppm2=5.099

assign ( resid 80 and name HA
	 )
       ( resid 83 and name HB3
	 ) 3.8 0.8 0.8 volume=87154821.500 peak=2864 ppm1=4.480 ppm2=2.276

assign ( resid 75 and name HA
	 )
       ( resid 75 and name H
	 ) 4.1 0.8 0.8 volume=57162070.500 peak=2865 ppm1=4.392 ppm2=9.041

assign ( resid 48 and name HA
	 )
       ( resid 84 and name H
	 ) 4.8 1.0 1.0 volume=21283817.812 peak=2866 ppm1=4.619 ppm2=7.326

assign ( resid 6 and name HA
	 )
       ( resid 10 and name H
	 ) 4.9 1.0 1.0 volume=18962970.047 peak=2867 ppm1=4.241 ppm2=7.736

assign ( resid 6 and name HA
	 )
       ( resid 5 and name HA
	 ) 4.3 0.9 0.9 volume=40121402.250 peak=2868 ppm1=4.233 ppm2=4.469

assign ( resid 52 and name HA
	 )
       ( resid 54 and name HE#
	 ) 4.6 0.9 0.9 volume=28871724.000 peak=2869 ppm1=4.330 ppm2=7.230

assign ( resid 81 and name HA
	 )
       ( resid 80 and name H
	 ) 4.0 0.8 0.8 volume=60202532.625 peak=2870 ppm1=4.093 ppm2=7.598

assign ( resid 81 and name HA
	 )
       ( resid 80 and name HA
	 ) 4.8 1.0 1.0 volume=21285022.398 peak=2871 ppm1=4.096 ppm2=4.527

assign ( resid 21 and name HA
	 )
       ( resid 22 and name HG1#
	 ) 4.6 0.9 0.9 volume=29178553.391 peak=2872 ppm1=4.078 ppm2=0.885

assign ( resid 16 and name HA
	 )
       ( resid 19 and name H
	 ) 3.5 0.7 0.7 volume=150919609.250 peak=2873 ppm1=4.166 ppm2=9.156

assign ( resid 16 and name HA
	 )
       ( resid 17 and name H
	 ) 4.2 0.8 0.8 volume=48271880.375 peak=2874 ppm1=4.166 ppm2=8.237

assign ( resid 31 and name HA
	 )
       ( resid 35 and name H
	 ) 3.7 0.7 0.7 volume=111131496.375 peak=2875 ppm1=4.176 ppm2=7.655

assign ( resid 31 and name HA
	 )
       ( resid 34 and name HG2#
	 or resid 52 and name HD1#
	 ) 3.9 0.8 0.8 volume=80816646.562 peak=2876 ppm1=4.186 ppm2=1.021

assign ( resid 35 and name HA
	 )
       ( resid 31 and name HB#
	 ) 4.8 1.0 1.0 volume=20560519.000 peak=2877 ppm1=4.008 ppm2=1.696

assign ( resid 59 and name HA
	 )
       ( resid 59 and name H
	 ) 3.0 0.6 0.6 volume=336786898.000 peak=2878 ppm1=3.861 ppm2=9.072

assign ( resid 32 and name HA
	 )
       ( resid 40 and name HB
	 ) 5.1 1.0 1.0 volume=15369508.539 peak=2879 ppm1=3.862 ppm2=4.475

assign ( resid 32 and name HA
	 )
       ( resid 33 and name HA
	 ) 4.4 0.9 0.9 volume=36194074.812 peak=2880 ppm1=3.858 ppm2=4.352

assign ( resid 32 and name HA
	 )
       ( resid 34 and name HB
	 ) 4.4 0.9 0.9 volume=37228369.500 peak=2881 ppm1=3.851 ppm2=2.234

assign ( resid 59 and name HA
	 )
       ( resid 63 and name HB3
	 ) 4.4 0.9 0.9 volume=38597063.750 peak=2882 ppm1=3.859 ppm2=2.029

assign ( resid 89 and name HA
	 )
       ( resid 27 and name H
	 ) 4.8 1.0 1.0 volume=20897841.219 peak=2883 ppm1=3.795 ppm2=7.961

assign ( resid 89 and name HA
	 )
       ( resid 88 and name HA
	 ) 4.7 0.9 0.9 volume=23255840.688 peak=2884 ppm1=3.795 ppm2=3.422

assign ( resid 92 and name HA
	 )
       ( resid 96 and name H
	 ) 4.7 0.9 0.9 volume=24595931.062 peak=2885 ppm1=3.598 ppm2=7.312

assign ( resid 92 and name HA
	 )
       ( resid 93 and name HA
	 ) 4.7 0.9 0.9 volume=23543662.438 peak=2886 ppm1=3.596 ppm2=3.906

assign ( resid 92 and name HA
	 )
       ( resid 91 and name HB2
	 ) 5.0 1.0 1.0 volume=16388081.047 peak=2887 ppm1=3.590 ppm2=3.015

assign ( resid 92 and name HA
	 )
       ( resid 94 and name HG3
	 ) 5.3 1.1 1.1 volume=12617603.969 peak=2888 ppm1=3.596 ppm2=2.467

assign ( resid 92 and name HA
	 )
       ( resid 95 and name HB2
	 ) 4.2 0.8 0.8 volume=48744715.750 peak=2889 ppm1=3.595 ppm2=1.842

assign ( resid 92 and name HA
	 )
       ( resid 72 and name HG
	 ) 4.7 0.9 0.9 volume=23310485.906 peak=2890 ppm1=3.593 ppm2=1.508

assign ( resid 11 and name HA
	 )
       ( resid 19 and name HB3
	 ) 4.6 0.9 0.9 volume=28721292.938 peak=2891 ppm1=4.348 ppm2=2.465

assign ( resid 12 and name HA
	 )
       ( resid 14 and name HB3
	 ) 4.6 0.9 0.9 volume=27201336.469 peak=2892 ppm1=4.134 ppm2=1.716

assign ( resid 12 and name HA
	 )
       ( resid 99 and name HG12
	 ) 4.8 1.0 1.0 volume=21696136.508 peak=2893 ppm1=4.130 ppm2=1.232

assign ( resid 69 and name HA
	 )
       ( resid 71 and name H
	 ) 4.9 1.0 1.0 volume=20327154.875 peak=2894 ppm1=4.319 ppm2=8.650

assign ( resid 69 and name HA
	 )
       ( resid 26 and name HD2#
	 ) 4.4 0.9 0.9 volume=36778292.125 peak=2895 ppm1=4.319 ppm2=0.780

assign ( resid 72 and name HA
	 )
       ( resid 71 and name HA2
	 ) 4.6 0.9 0.9 volume=29529340.062 peak=2896 ppm1=4.444 ppm2=3.863

assign ( resid 72 and name HA
	 )
       ( resid 95 and name HB3
	 ) 4.8 1.0 1.0 volume=21202035.781 peak=2897 ppm1=4.445 ppm2=2.273

assign ( resid 38 and name HA
	 )
       ( resid 37 and name HB2
	 ) 5.1 1.0 1.0 volume=14468467.664 peak=2899 ppm1=4.344 ppm2=2.923

assign ( resid 38 and name HA
	 )
       ( resid 40 and name HG2#
	 ) 4.8 1.0 1.0 volume=21387932.473 peak=2900 ppm1=4.350 ppm2=1.253

assign ( resid 4 and name HA
	 )
       ( resid 8 and name H
	 ) 4.7 0.9 0.9 volume=23559823.625 peak=2901 ppm1=4.427 ppm2=8.014

assign ( resid 4 and name HA
	 )
       ( resid 71 and name HA2
	 ) 4.7 0.9 0.9 volume=24800120.328 peak=2902 ppm1=4.430 ppm2=3.838

assign ( resid 4 and name HA
	 )
       ( resid 7 and name HB2
	 ) 3.9 0.8 0.8 volume=22090274.688 peak=2903 ppm1=4.424 ppm2=1.840

assign ( resid 14 and name HA
	 )
       ( resid 13 and name HA3
	 ) 4.7 0.9 0.9 volume=25460510.875 peak=2904 ppm1=4.741 ppm2=3.850

assign ( resid 97 and name HD2
	 )
       ( resid 98 and name H
	 ) 5.5 1.1 1.1 volume=10072856.299 peak=2905 ppm1=3.907 ppm2=8.515

assign ( resid 97 and name HD3
	 )
       ( resid 98 and name H
	 ) 5.2 1.0 1.0 volume=13388764.219 peak=2906 ppm1=3.682 ppm2=8.511

assign ( resid 97 and name HD2
	 )
       ( resid 99 and name HG13
	 ) 4.8 1.0 1.0 volume=20408561.820 peak=2907 ppm1=3.916 ppm2=1.419

assign ( resid 97 and name HD3
	 )
       ( resid 99 and name HG13
	 ) 4.6 0.9 0.9 volume=29587838.531 peak=2908 ppm1=3.676 ppm2=1.421

assign ( resid 83 and name HD2
	 )
       ( resid 88 and name HG2#
	 ) 4.9 1.0 1.0 volume=18075748.266 peak=2909 ppm1=3.430 ppm2=1.336

assign ( resid 13 and name HA3
	 )
       ( resid 13 and name H
	 ) 3.9 0.8 0.8 volume=73125933.000 peak=2910 ppm1=3.833 ppm2=8.743

assign ( resid 13 and name HA2
	 )
       ( resid 13 and name H
	 ) 3.9 0.8 0.8 volume=70723560.500 peak=2911 ppm1=4.085 ppm2=8.749

assign ( resid 36 and name HA3
	 )
       ( resid 35 and name H
	 ) 4.7 0.9 0.9 volume=25905267.359 peak=2912 ppm1=4.086 ppm2=7.631

assign ( resid 37 and name HE#
	 )
       ( resid 36 and name HA3
	 ) 4.6 0.9 0.9 volume=17331601.688 peak=2913 ppm1=6.841 ppm2=4.070

assign ( resid 37 and name HD#
	 )
       ( resid 36 and name HA2
	 ) 3.4 0.7 0.7 volume=14056791.016 peak=2914 ppm1=7.027 ppm2=3.853

assign ( resid 13 and name HA2
	 )
       ( resid 14 and name HB3
	 ) 4.8 1.0 1.0 volume=21721801.719 peak=2915 ppm1=4.086 ppm2=1.702

assign ( resid 71 and name HA3
	 )
       ( resid 4 and name HB#
	 ) 4.7 0.9 0.9 volume=23143899.609 peak=2916 ppm1=4.319 ppm2=1.416

assign ( resid 53 and name HA3
	 )
       ( resid 51 and name HA
	 ) 5.0 1.0 1.0 volume=16276925.438 peak=2917 ppm1=3.822 ppm2=4.548

assign ( resid 55 and name HB3
	 )
       ( resid 58 and name H
	 ) 5.1 1.0 1.0 volume=15624133.250 peak=2918 ppm1=3.290 ppm2=8.982

assign ( resid 55 and name HB2
	 )
       ( resid 58 and name H
	 ) 5.0 1.0 1.0 volume=17490582.500 peak=2919 ppm1=2.754 ppm2=8.995

assign ( resid 55 and name HB2
	 )
       ( resid 55 and name H
	 ) 3.9 0.8 0.8 volume=78015129.625 peak=2920 ppm1=2.748 ppm2=8.145

assign ( resid 55 and name HB2
	 )
       ( resid 80 and name HE#
	 ) 5.2 1.0 1.0 volume=13673919.168 peak=2921 ppm1=2.742 ppm2=7.252

assign ( resid 55 and name HB2
	 )
       ( resid 54 and name HA
	 ) 4.6 0.9 0.9 volume=29117932.281 peak=2922 ppm1=2.741 ppm2=4.069

assign ( resid 55 and name HB3
	 )
       ( resid 56 and name HA
	 ) 4.3 0.9 0.9 volume=39475184.875 peak=2923 ppm1=3.296 ppm2=4.026

assign ( resid 55 and name HB3
	 )
       ( resid 55 and name HB2
	 ) 2.7 0.5 0.5 volume=634978444.000 peak=2924 ppm1=3.293 ppm2=2.747

assign ( resid 74 and name HB3
	 )
       ( resid 67 and name HA
	 ) 4.7 0.9 0.9 volume=24087370.688 peak=2925 ppm1=1.528 ppm2=4.179

assign ( resid 37 and name HB3
	 )
       ( resid 32 and name H
	 ) 5.1 1.0 1.0 volume=14447945.867 peak=2926 ppm1=3.350 ppm2=8.760

assign ( resid 37 and name HB3
	 )
       ( resid 33 and name H
	 or resid 35 and name H
	 ) 4.9 1.0 1.0 volume=20056572.000 peak=2927 ppm1=3.342 ppm2=7.659

assign ( resid 37 and name HB3
	 )
       ( resid 36 and name H
	 ) 5.1 1.0 1.0 volume=15194065.938 peak=2928 ppm1=3.333 ppm2=7.765

assign ( resid 37 and name HB2
	 )
       ( resid 33 and name H
	 ) 4.5 0.9 0.9 volume=33258350.250 peak=2929 ppm1=2.926 ppm2=7.710

assign ( resid 37 and name HB3
	 )
       ( resid 41 and name HG3
	 ) 4.8 1.0 1.0 volume=21692901.469 peak=2931 ppm1=3.342 ppm2=2.258

assign ( resid 37 and name HB2
	 )
       ( resid 41 and name HG3
	 ) 5.2 1.0 1.0 volume=13605563.641 peak=2932 ppm1=2.922 ppm2=2.276

assign ( resid 37 and name HB2
	 )
       ( resid 35 and name HB2
	 ) 4.6 0.9 0.9 volume=28172206.000 peak=2933 ppm1=2.931 ppm2=1.388

assign ( resid 37 and name HB3
	 )
       ( resid 35 and name HB2
	 ) 5.0 1.0 1.0 volume=16031251.188 peak=2934 ppm1=3.348 ppm2=1.381

assign ( resid 37 and name HB3
	 )
       ( resid 40 and name HG2#
	 ) 4.7 0.9 0.9 volume=23729770.312 peak=2935 ppm1=3.337 ppm2=1.302

assign ( resid 40 and name HG2#
	 )
       ( resid 37 and name HB2
	 ) 3.9 0.8 0.8 volume=19264395.656 peak=2936 ppm1=1.289 ppm2=2.935

assign ( resid 37 and name HB3
	 )
       ( resid 35 and name HD2#
	 ) 5.2 1.0 1.0 volume=14041617.531 peak=2937 ppm1=3.337 ppm2=0.620

assign ( resid 20 and name HD3
	 )
       ( resid 20 and name H
	 ) 3.9 0.8 0.8 volume=78367959.000 peak=2939 ppm1=3.183 ppm2=7.996

assign ( resid 20 and name HD3
	 )
       ( resid 21 and name H
	 ) 4.3 0.9 0.9 volume=44438296.250 peak=2940 ppm1=3.180 ppm2=7.695

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name HD3
	 ) 2.9 0.6 0.6 volume=426717450.000 peak=2943 ppm1=1.508 ppm2=3.190

assign ( resid 44 and name HB3
	 )
       ( resid 47 and name HA
	 ) 5.1 1.0 1.0 volume=14520129.031 peak=2945 ppm1=2.636 ppm2=4.330

assign ( resid 44 and name HB3
	 )
       ( resid 45 and name HG2#
	 ) 5.0 1.0 1.0 volume=17346865.500 peak=2946 ppm1=2.626 ppm2=1.117

assign ( resid 44 and name HB2
	 )
       ( resid 45 and name HG2#
	 ) 5.2 1.0 1.0 volume=13997219.539 peak=2947 ppm1=2.800 ppm2=1.108

assign ( resid 29 and name HB2
	 )
       ( resid 31 and name H
	 ) 4.7 0.9 0.9 volume=24826147.375 peak=2948 ppm1=2.599 ppm2=8.901

assign ( resid 51 and name HB3
	 )
       ( resid 48 and name H
	 ) 4.0 0.8 0.8 volume=69906195.375 peak=2949 ppm1=2.835 ppm2=8.904

assign ( resid 51 and name HB2
	 )
       ( resid 48 and name H
	 ) 3.8 0.8 0.8 volume=81714573.000 peak=2950 ppm1=2.991 ppm2=8.902

assign ( resid 64 and name HB3
	 )
       ( resid 64 and name H
	 ) 3.1 0.6 0.6 volume=293360303.000 peak=2951 ppm1=2.965 ppm2=8.808

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name H
	 ) 3.1 0.6 0.6 volume=273238355.000 peak=2952 ppm1=2.760 ppm2=8.807

assign ( resid 64 and name HB2
	 )
       ( resid 65 and name H
	 ) 3.8 0.8 0.8 volume=82281877.629 peak=2953 ppm1=2.755 ppm2=8.736

assign ( resid 29 and name HB3
	 )
       ( resid 30 and name HE21
	 ) 4.8 1.0 1.0 volume=22098003.000 peak=2954 ppm1=2.949 ppm2=6.899

assign ( resid 29 and name HB2
	 )
       ( resid 30 and name HE21
	 ) 5.1 1.0 1.0 volume=14895686.965 peak=2955 ppm1=2.596 ppm2=6.917

assign ( resid 64 and name HB3
	 )
       ( resid 61 and name HA
	 ) 3.0 0.6 0.6 volume=220085252.500 peak=2958 ppm1=2.964 ppm2=4.187

assign ( resid 64 and name HB3
	 )
       ( resid 63 and name HA
	 ) 5.1 1.0 1.0 volume=14714778.688 peak=2964 ppm1=2.951 ppm2=3.649

assign ( resid 54 and name HB2
	 )
       ( resid 59 and name H
	 ) 5.1 1.0 1.0 volume=15301117.516 peak=2966 ppm1=2.835 ppm2=9.079

assign ( resid 54 and name HB3
	 )
       ( resid 59 and name H
	 ) 4.5 0.9 0.9 volume=30682599.938 peak=2967 ppm1=2.671 ppm2=9.078

assign ( resid 51 and name HB2
	 )
       ( resid 51 and name H
	 ) 3.4 0.7 0.7 volume=186351719.500 peak=2968 ppm1=2.994 ppm2=8.090

assign ( resid 54 and name HB2
	 )
       ( resid 54 and name H
	 or resid 55 and name H
	 ) 3.0 0.6 0.6 volume=336698789.000 peak=2969 ppm1=2.836 ppm2=8.136

assign ( resid 51 and name HB2
	 )
       ( resid 53 and name H
	 ) 4.8 1.0 1.0 volume=21394224.281 peak=2970 ppm1=2.973 ppm2=7.793

assign ( resid 64 and name HB3
	 )
       ( resid 63 and name H
	 ) 4.5 0.9 0.9 volume=30716131.500 peak=2971 ppm1=2.976 ppm2=7.659

assign ( resid 54 and name HB2
	 )
       ( resid 53 and name H
	 ) 4.5 0.9 0.9 volume=32024343.938 peak=2972 ppm1=2.837 ppm2=7.772

assign ( resid 54 and name HB3
	 )
       ( resid 53 and name H
	 ) 4.8 1.0 1.0 volume=20996108.406 peak=2973 ppm1=2.668 ppm2=7.777

assign ( resid 54 and name HB2
	 )
       ( resid 49 and name HD#
	 ) 4.7 0.9 0.9 volume=24124238.250 peak=2974 ppm1=2.841 ppm2=6.920

assign ( resid 54 and name HB3
	 )
       ( resid 49 and name HD#
	 ) 4.8 1.0 1.0 volume=20531564.938 peak=2975 ppm1=2.658 ppm2=6.922

assign ( resid 51 and name HB3
	 )
       ( resid 51 and name HB2
	 ) 2.5 0.5 0.5 volume=968619558.000 peak=2976 ppm1=2.834 ppm2=2.996

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HB3
	 ) 2.4 0.5 0.5 volume=1341042032.000 peak=2977 ppm1=2.760 ppm2=2.968

assign ( resid 29 and name HB2
	 )
       ( resid 28 and name HB2
	 or resid 30 and name HG2
	 or resid 30 and name HB2
	 ) 4.1 0.8 0.8 volume=57473140.750 peak=2978 ppm1=2.604 ppm2=1.998

assign ( resid 51 and name HB3
	 )
       ( resid 47 and name HG2
	 ) 3.8 0.8 0.8 volume=81590623.000 peak=2979 ppm1=2.836 ppm2=2.334

assign ( resid 51 and name HB3
	 )
       ( resid 47 and name HB2
	 ) 4.0 0.8 0.8 volume=64946318.375 peak=2980 ppm1=2.836 ppm2=2.063

assign ( resid 51 and name HB3
	 )
       ( resid 50 and name HB2
	 ) 4.0 0.8 0.8 volume=61832011.000 peak=2981 ppm1=2.835 ppm2=1.862

assign ( resid 29 and name HB3
	 )
       ( resid 26 and name HB2
	 ) 4.4 0.9 0.9 volume=36202428.969 peak=2982 ppm1=2.967 ppm2=1.733

assign ( resid 29 and name HB3
	 )
       ( resid 32 and name HB#
	 ) 4.1 0.8 0.8 volume=56159100.625 peak=2983 ppm1=2.974 ppm2=1.523

assign ( resid 51 and name HB2
	 )
       ( resid 47 and name HB2
	 ) 3.7 0.7 0.7 volume=104855912.750 peak=2986 ppm1=2.979 ppm2=2.056

assign ( resid 51 and name HB2
	 )
       ( resid 50 and name HB2
	 ) 4.2 0.8 0.8 volume=50090405.500 peak=2987 ppm1=2.990 ppm2=1.867

assign ( resid 64 and name HB3
	 )
       ( resid 61 and name HG3
	 ) 4.3 0.9 0.9 volume=40142313.562 peak=2988 ppm1=2.967 ppm2=2.184

assign ( resid 64 and name HB2
	 )
       ( resid 61 and name HG3
	 ) 4.6 0.9 0.9 volume=28194622.188 peak=2989 ppm1=2.758 ppm2=2.178

assign ( resid 64 and name HB2
	 )
       ( resid 61 and name HB2
	 ) 4.5 0.9 0.9 volume=32065253.688 peak=2990 ppm1=2.764 ppm2=2.060

assign ( resid 54 and name HB3
	 )
       ( resid 62 and name HB2
	 ) 4.9 1.0 1.0 volume=19014998.938 peak=2991 ppm1=2.669 ppm2=1.814

assign ( resid 29 and name HB2
	 )
       ( resid 26 and name HB2
	 ) 4.6 0.9 0.9 volume=26506446.500 peak=2992 ppm1=2.604 ppm2=1.739

assign ( resid 32 and name HB#
	 )
       ( resid 29 and name HB2
	 ) 4.0 0.8 0.8 volume=64722364.875 peak=2993 ppm1=1.522 ppm2=2.600

assign ( resid 29 and name HB3
	 )
       ( resid 40 and name HG2#
	 ) 4.3 0.9 0.9 volume=44501117.875 peak=2994 ppm1=2.966 ppm2=1.290

assign ( resid 40 and name HG2#
	 )
       ( resid 29 and name HB2
	 ) 4.2 0.8 0.8 volume=49020060.562 peak=2995 ppm1=1.288 ppm2=2.569

assign ( resid 29 and name HB2
	 )
       ( resid 26 and name HD1#
	 ) 4.2 0.8 0.8 volume=48900319.938 peak=2996 ppm1=2.597 ppm2=0.924

assign ( resid 51 and name HB3
	 )
       ( resid 52 and name HD2#
	 ) 4.9 1.0 1.0 volume=19512133.281 peak=2997 ppm1=2.833 ppm2=0.771

assign ( resid 29 and name HB3
	 )
       ( resid 26 and name HD1#
	 ) 3.2 0.6 0.6 volume=57565701.500 peak=2998 ppm1=2.972 ppm2=0.925

assign ( resid 51 and name HB2
	 )
       ( resid 52 and name HD2#
	 ) 4.3 0.9 0.9 volume=41673554.438 peak=2999 ppm1=2.982 ppm2=0.778

assign ( resid 51 and name HB2
	 )
       ( resid 52 and name HD1#
	 ) 4.4 0.9 0.9 volume=37966485.938 peak=3000 ppm1=2.989 ppm2=0.987

assign ( resid 72 and name HA
	 )
       ( resid 73 and name HB2
	 ) 3.8 0.8 0.8 volume=78707043.875 peak=3003 ppm1=4.446 ppm2=2.713

assign ( resid 18 and name HG2
	 )
       ( resid 18 and name H
	 ) 3.3 0.7 0.7 volume=211256821.000 peak=3004 ppm1=2.281 ppm2=7.605

assign ( resid 47 and name HG2
	 )
       ( resid 49 and name H
	 ) 4.6 0.9 0.9 volume=26599006.750 peak=3005 ppm1=2.302 ppm2=8.231

assign ( resid 47 and name HG3
	 )
       ( resid 44 and name H
	 ) 4.6 0.9 0.9 volume=26652954.375 peak=3006 ppm1=2.390 ppm2=8.308

assign ( resid 47 and name HG3
	 )
       ( resid 49 and name H
	 ) 4.7 0.9 0.9 volume=24760912.562 peak=3007 ppm1=2.382 ppm2=8.216

assign ( resid 47 and name HG3
	 )
       ( resid 47 and name H
	 ) 3.8 0.8 0.8 volume=88364803.125 peak=3008 ppm1=2.388 ppm2=7.522

assign ( resid 47 and name HG3
	 )
       ( resid 47 and name HB3
	 ) 3.0 0.6 0.6 volume=363988346.000 peak=3009 ppm1=2.389 ppm2=1.944

assign ( resid 47 and name HG2
	 )
       ( resid 47 and name HB3
	 ) 3.0 0.6 0.6 volume=352468152.000 peak=3010 ppm1=2.303 ppm2=1.944

assign ( resid 47 and name HG3
	 )
       ( resid 52 and name HD2#
	 ) 4.1 0.8 0.8 volume=59454613.750 peak=3011 ppm1=2.390 ppm2=0.773

assign ( resid 47 and name HG2
	 )
       ( resid 52 and name HD2#
	 ) 3.9 0.8 0.8 volume=74314327.125 peak=3012 ppm1=2.307 ppm2=0.780

assign ( resid 67 and name HG2
	 )
       ( resid 72 and name H
	 ) 5.3 1.1 1.1 volume=12645206.578 peak=3013 ppm1=2.635 ppm2=7.763

assign ( resid 67 and name HG3
	 )
       ( resid 73 and name HA
	 ) 5.1 1.0 1.0 volume=15434415.000 peak=3014 ppm1=2.863 ppm2=4.749

assign ( resid 67 and name HG2
	 )
       ( resid 73 and name HA
	 ) 4.9 1.0 1.0 volume=19918800.125 peak=3015 ppm1=2.640 ppm2=4.759

assign ( resid 67 and name HG3
	 )
       ( resid 66 and name HB3
	 ) 4.0 0.8 0.8 volume=62264789.219 peak=3016 ppm1=2.863 ppm2=2.037

assign ( resid 67 and name HG2
	 )
       ( resid 66 and name HB3
	 ) 4.9 1.0 1.0 volume=20001740.672 peak=3017 ppm1=2.629 ppm2=2.042

assign ( resid 67 and name HG2
	 )
       ( resid 74 and name HB2
	 ) 5.0 1.0 1.0 volume=17820124.000 peak=3018 ppm1=2.635 ppm2=1.367

assign ( resid 19 and name HG3
	 )
       ( resid 19 and name HB3
	 ) 3.3 0.7 0.7 volume=205001429.000 peak=3019 ppm1=2.866 ppm2=2.465

assign ( resid 90 and name HG2
	 )
       ( resid 86 and name HD2
	 ) 4.9 1.0 1.0 volume=18087253.812 peak=3021 ppm1=2.113 ppm2=6.849

assign ( resid 41 and name HG3
	 )
       ( resid 37 and name HD#
	 ) 4.8 1.0 1.0 volume=20811552.672 peak=3022 ppm1=2.264 ppm2=7.036

assign ( resid 41 and name HG3
	 )
       ( resid 40 and name HB
	 or resid 42 and name HA
	 ) 4.4 0.9 0.9 volume=38920258.938 peak=3023 ppm1=2.260 ppm2=4.484

assign ( resid 30 and name HG3
	 )
       ( resid 26 and name HB2
	 ) 4.9 1.0 1.0 volume=18215328.719 peak=3024 ppm1=2.817 ppm2=1.764

assign ( resid 30 and name HG3
	 )
       ( resid 62 and name HG
	 or resid 68 and name HG2#
	 or resid 70 and name HG2#
	 ) 5.0 1.0 1.0 volume=16398896.977 peak=3025 ppm1=2.824 ppm2=1.287

assign ( resid 30 and name HG2
	 )
       ( resid 62 and name HG
	 ) 4.8 1.0 1.0 volume=21823758.766 peak=3026 ppm1=1.991 ppm2=1.296

assign ( resid 86 and name HB3
	 )
       ( resid 87 and name HA
	 ) 5.1 1.0 1.0 volume=14376816.789 peak=3027 ppm1=2.871 ppm2=4.215

assign ( resid 86 and name HB2
	 )
       ( resid 24 and name HD3
	 ) 4.8 1.0 1.0 volume=21073162.969 peak=3028 ppm1=2.705 ppm2=3.115

assign ( resid 18 and name HB2
	 )
       ( resid 19 and name HG3
	 ) 4.4 0.9 0.9 volume=36252549.500 peak=3029 ppm1=2.385 ppm2=2.876

assign ( resid 82 and name HB3
	 )
       ( resid 78 and name HD1#
	 ) 5.0 1.0 1.0 volume=17632134.188 peak=3030 ppm1=3.114 ppm2=0.801

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HB2
	 ) 4.4 0.9 0.9 volume=35970256.750 peak=3031 ppm1=3.209 ppm2=1.852

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HD1#
	 ) 5.1 1.0 1.0 volume=15222255.141 peak=3032 ppm1=3.197 ppm2=1.033

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HD2#
	 ) 4.2 0.8 0.8 volume=46419785.938 peak=3033 ppm1=3.205 ppm2=0.781

assign ( resid 88 and name HG2#
	 )
       ( resid 87 and name HA
	 ) 4.8 1.0 1.0 volume=21339090.188 peak=3034 ppm1=1.333 ppm2=4.225

assign ( resid 62 and name HD2#
	 )
       ( resid 49 and name HA
	 ) 5.2 1.0 1.0 volume=13749173.625 peak=3035 ppm1=0.235 ppm2=4.320

assign ( resid 78 and name HD1#
	 )
       ( resid 88 and name H
	 ) 5.1 1.0 1.0 volume=15285064.461 peak=3036 ppm1=0.815 ppm2=8.551

assign ( resid 78 and name HD1#
	 )
       ( resid 82 and name HD2
	 ) 4.4 0.9 0.9 volume=24935826.906 peak=3037 ppm1=0.828 ppm2=6.683

assign ( resid 78 and name HD1#
	 )
       ( resid 49 and name HE#
	 ) 4.7 0.9 0.9 volume=25275847.625 peak=3038 ppm1=0.816 ppm2=7.052

assign ( resid 34 and name HB
	 )
       ( resid 35 and name HD2#
	 ) 3.8 0.8 0.8 volume=87235976.125 peak=3039 ppm1=2.252 ppm2=0.630

assign ( resid 92 and name HD2#
	 )
       ( resid 88 and name HA
	 ) 3.8 0.8 0.8 volume=92765899.625 peak=3040 ppm1=0.733 ppm2=3.429

assign ( resid 92 and name HD2#
	 )
       ( resid 74 and name H
	 ) 5.0 1.0 1.0 volume=16080754.242 peak=3041 ppm1=0.771 ppm2=9.281

assign ( resid 74 and name HD2#
	 )
       ( resid 95 and name HE21
	 ) 4.7 0.9 0.9 volume=24552002.859 peak=3043 ppm1=0.789 ppm2=6.633

assign ( resid 14 and name HD2#
	 )
       ( resid 21 and name H
	 ) 4.2 0.8 0.8 volume=49541438.344 peak=3044 ppm1=0.899 ppm2=7.698

assign ( resid 43 and name HD2#
	 )
       ( resid 37 and name HB3
	 ) 4.8 1.0 1.0 volume=21048643.969 peak=3045 ppm1=0.900 ppm2=3.334

assign ( resid 14 and name HD2#
	 )
       ( resid 10 and name HE3
	 ) 4.0 0.8 0.8 volume=69428882.750 peak=3046 ppm1=0.898 ppm2=2.950

assign ( resid 14 and name HD2#
	 )
       ( resid 19 and name HB3
	 ) 4.2 0.8 0.8 volume=45970842.812 peak=3047 ppm1=0.897 ppm2=2.499

assign ( resid 7 and name HD2#
	 )
       ( resid 6 and name HG
	 ) 2.5 0.5 0.5 volume=1194929876.000 peak=3048 ppm1=0.852 ppm2=1.559

assign ( resid 52 and name HD2#
	 )
       ( resid 51 and name H
	 ) 4.6 0.9 0.9 volume=28051117.688 peak=3049 ppm1=0.755 ppm2=8.100

assign ( resid 52 and name HD2#
	 )
       ( resid 49 and name HZ
	 ) 5.3 1.1 1.1 volume=12515262.836 peak=3050 ppm1=0.757 ppm2=6.592

assign ( resid 60 and name HD1#
	 )
       ( resid 62 and name H
	 ) 5.0 1.0 1.0 volume=16590873.289 peak=3051 ppm1=1.052 ppm2=8.435

assign ( resid 60 and name HD1#
	 )
       ( resid 55 and name HB3
	 ) 4.4 0.9 0.9 volume=35305962.406 peak=3052 ppm1=1.062 ppm2=3.256

assign ( resid 43 and name HD1#
	 )
       ( resid 44 and name HB3
	 ) 4.9 1.0 1.0 volume=19018061.518 peak=3053 ppm1=0.837 ppm2=2.641

assign ( resid 58 and name HG2#
	 )
       ( resid 59 and name H
	 ) 3.8 0.8 0.8 volume=88938217.562 peak=3054 ppm1=1.249 ppm2=9.082

assign ( resid 58 and name HG2#
	 )
       ( resid 54 and name HB3
	 ) 4.8 1.0 1.0 volume=20838337.688 peak=3055 ppm1=1.248 ppm2=2.687

assign ( resid 60 and name HD2#
	 )
       ( resid 57 and name H
	 ) 4.4 0.9 0.9 volume=38408293.000 peak=3056 ppm1=1.001 ppm2=8.313

assign ( resid 52 and name HD1#
	 )
       ( resid 51 and name H
	 ) 4.4 0.9 0.9 volume=37227322.141 peak=3057 ppm1=0.994 ppm2=8.094

assign ( resid 52 and name HD1#
	 )
       ( resid 47 and name H
	 ) 4.6 0.9 0.9 volume=28328340.438 peak=3058 ppm1=0.997 ppm2=7.526

assign ( resid 74 and name HD1#
	 )
       ( resid 67 and name HG2
	 ) 4.1 0.8 0.8 volume=58900466.219 peak=3059 ppm1=0.926 ppm2=2.645

assign ( resid 62 and name HD1#
	 )
       ( resid 54 and name HZ
	 ) 4.1 0.8 0.8 volume=52720856.750 peak=3060 ppm1=0.900 ppm2=6.909

assign ( resid 72 and name HD2#
	 )
       ( resid 95 and name HE22
	 ) 5.2 1.0 1.0 volume=12781247.156 peak=3061 ppm1=0.848 ppm2=6.405

assign ( resid 34 and name HG1#
	 )
       ( resid 30 and name HA
	 or resid 31 and name HA
	 or resid 58 and name HB
	 or resid 61 and name HA
	 ) 2.8 0.6 0.6 volume=596632701.000 peak=3062 ppm1=0.853 ppm2=4.159

assign ( resid 34 and name HG1#
	 )
       ( resid 35 and name HD1#
	 ) 3.2 0.6 0.6 volume=148964587.750 peak=3063 ppm1=0.867 ppm2=0.093

assign ( resid 34 and name HG1#
	 )
       ( resid 79 and name HG2#
	 ) 4.7 0.9 0.9 volume=24099292.453 peak=3064 ppm1=0.852 ppm2=-0.124

assign ( resid 28 and name HD2#
	 )
       ( resid 37 and name HE#
	 ) 4.4 0.9 0.9 volume=35408631.711 peak=3065 ppm1=0.778 ppm2=6.883

assign ( resid 52 and name HD1#
	 )
       ( resid 31 and name H
	 ) 4.8 1.0 1.0 volume=20846780.641 peak=3066 ppm1=0.997 ppm2=8.904

assign ( resid 77 and name HG2#
	 )
       ( resid 78 and name H
	 ) 3.9 0.8 0.8 volume=78772437.000 peak=3067 ppm1=1.137 ppm2=7.356

assign ( resid 77 and name HG2#
	 )
       ( resid 80 and name H
	 ) 4.4 0.9 0.9 volume=36352365.656 peak=3068 ppm1=1.129 ppm2=7.585

assign ( resid 27 and name HG2#
	 )
       ( resid 32 and name H
	 ) 5.1 1.0 1.0 volume=15320991.266 peak=3069 ppm1=1.154 ppm2=8.775

assign ( resid 27 and name HG2#
	 )
       ( resid 29 and name H
	 ) 5.1 1.0 1.0 volume=14790903.734 peak=3070 ppm1=1.153 ppm2=9.295

assign ( resid 77 and name HG2#
	 )
       ( resid 80 and name HE#
	 ) 3.9 0.8 0.8 volume=54243148.312 peak=3071 ppm1=1.137 ppm2=7.248

assign ( resid 27 and name HG2#
	 )
       ( resid 49 and name HD#
	 ) 4.3 0.9 0.9 volume=45052902.000 peak=3072 ppm1=1.155 ppm2=6.905

assign ( resid 80 and name HB3
	 )
       ( resid 77 and name HG2#
	 ) 4.2 0.8 0.8 volume=43422849.406 peak=3073 ppm1=3.238 ppm2=1.136

assign ( resid 80 and name HB2
	 )
       ( resid 77 and name HG2#
	 ) 3.9 0.8 0.8 volume=72979261.625 peak=3074 ppm1=2.891 ppm2=1.139

assign ( resid 27 and name HG2#
	 )
       ( resid 85 and name HD3
	 ) 5.0 1.0 1.0 volume=16822358.371 peak=3075 ppm1=1.155 ppm2=2.504

assign ( resid 79 and name HG2#
	 )
       ( resid 27 and name HG2#
	 ) 4.3 0.9 0.9 volume=23656080.234 peak=3076 ppm1=-0.149 ppm2=1.163

assign ( resid 23 and name HG2#
	 )
       ( resid 92 and name HA
	 ) 4.5 0.9 0.9 volume=33891123.938 peak=3077 ppm1=1.236 ppm2=3.582

assign ( resid 23 and name HG2#
	 )
       ( resid 27 and name HA
	 ) 4.8 1.0 1.0 volume=22180820.297 peak=3078 ppm1=1.229 ppm2=3.429

assign ( resid 23 and name HG2#
	 )
       ( resid 27 and name HB
	 ) 4.0 0.8 0.8 volume=61508051.750 peak=3079 ppm1=1.230 ppm2=2.291

assign ( resid 23 and name HG2#
	 )
       ( resid 26 and name HB3
	 ) 3.4 0.7 0.7 volume=176336935.000 peak=3080 ppm1=1.234 ppm2=2.094

assign ( resid 23 and name HG2#
	 )
       ( resid 92 and name HB3
	 ) 3.0 0.6 0.6 volume=395773368.000 peak=3081 ppm1=1.235 ppm2=1.967

assign ( resid 40 and name HG2#
	 )
       ( resid 28 and name HB2
	 ) 3.1 0.6 0.6 volume=329877319.750 peak=3082 ppm1=1.292 ppm2=1.987

assign ( resid 23 and name HG2#
	 )
       ( resid 92 and name HB2
	 ) 2.8 0.6 0.6 volume=584375865.000 peak=3083 ppm1=1.232 ppm2=0.898

assign ( resid 15 and name HG2#
	 )
       ( resid 14 and name HD1#
	 ) 3.9 0.8 0.8 volume=77844135.375 peak=3084 ppm1=1.420 ppm2=0.832

assign ( resid 17 and name HG2#
	 )
       ( resid 20 and name HD3
	 ) 4.6 0.9 0.9 volume=28820951.367 peak=3085 ppm1=1.300 ppm2=3.200

assign ( resid 17 and name HG2#
	 )
       ( resid 19 and name HB3
	 ) 5.3 1.1 1.1 volume=12670891.877 peak=3086 ppm1=1.304 ppm2=2.456

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name HA
	 ) 3.4 0.7 0.7 volume=179910434.375 peak=3087 ppm1=1.149 ppm2=3.997

assign ( resid 99 and name HG2#
	 )
       ( resid 19 and name HG3
	 ) 5.0 1.0 1.0 volume=16412176.289 peak=3088 ppm1=0.899 ppm2=2.902

assign ( resid 96 and name HD1#
	 )
       ( resid 19 and name HE21
	 ) 5.0 1.0 1.0 volume=17529750.141 peak=3089 ppm1=0.731 ppm2=7.165

assign ( resid 96 and name HD1#
	 )
       ( resid 19 and name HE22
	 ) 5.0 1.0 1.0 volume=16492512.141 peak=3090 ppm1=0.732 ppm2=6.813

assign ( resid 96 and name HD1#
	 )
       ( resid 92 and name HG
	 ) 4.8 1.0 1.0 volume=22469161.406 peak=3091 ppm1=0.738 ppm2=2.166

assign ( resid 99 and name HD1#
	 )
       ( resid 97 and name HA
	 ) 4.8 1.0 1.0 volume=21498398.219 peak=3092 ppm1=0.822 ppm2=4.488

assign ( resid 99 and name HD1#
	 )
       ( resid 19 and name HG3
	 ) 5.0 1.0 1.0 volume=17719242.816 peak=3093 ppm1=0.823 ppm2=2.840

assign ( resid 99 and name HD1#
	 )
       ( resid 14 and name HB3
	 ) 4.1 0.8 0.8 volume=52406398.625 peak=3094 ppm1=0.828 ppm2=1.725

assign ( resid 99 and name HD1#
	 )
       ( resid 96 and name HG13
	 ) 4.3 0.9 0.9 volume=44637956.289 peak=3095 ppm1=0.829 ppm2=1.625

assign ( resid 34 and name HA
	 )
       ( resid 35 and name HD1#
	 ) 4.6 0.9 0.9 volume=19856553.172 peak=3096 ppm1=3.708 ppm2=0.093

assign ( resid 32 and name HB#
	 )
       ( resid 30 and name HG3
	 ) 5.0 1.0 1.0 volume=16614988.547 peak=3097 ppm1=1.518 ppm2=2.794

assign ( resid 59 and name HB#
	 )
       ( resid 80 and name HB2
	 ) 5.0 1.0 1.0 volume=16147953.123 peak=3098 ppm1=1.402 ppm2=2.937

assign ( resid 59 and name HB#
	 )
       ( resid 58 and name H
	 ) 4.7 0.9 0.9 volume=25607241.531 peak=3099 ppm1=1.408 ppm2=8.950

assign ( resid 38 and name HB#
	 )
       ( resid 40 and name H
	 ) 4.6 0.9 0.9 volume=26967359.469 peak=3100 ppm1=1.482 ppm2=8.366

assign ( resid 38 and name HB#
	 )
       ( resid 37 and name H
	 ) 5.2 1.0 1.0 volume=14083621.578 peak=3101 ppm1=1.481 ppm2=8.205

assign ( resid 38 and name HB#
	 )
       ( resid 39 and name HB2
	 ) 3.8 0.8 0.8 volume=90232059.469 peak=3102 ppm1=1.475 ppm2=3.849

assign ( resid 38 and name HB#
	 )
       ( resid 37 and name HB3
	 ) 4.5 0.9 0.9 volume=31854105.359 peak=3103 ppm1=1.480 ppm2=3.329

assign ( resid 69 and name HB#
	 )
       ( resid 27 and name HA
	 ) 5.0 1.0 1.0 volume=16512424.156 peak=3104 ppm1=1.534 ppm2=3.442

assign ( resid 69 and name HB#
	 )
       ( resid 65 and name HB3
	 ) 4.3 0.9 0.9 volume=18313997.250 peak=3105 ppm1=1.534 ppm2=3.192

assign ( resid 69 and name HB#
	 )
       ( resid 67 and name HG2
	 ) 5.2 1.0 1.0 volume=13354068.523 peak=3106 ppm1=1.535 ppm2=2.607

assign ( resid 35 and name HB3
	 )
       ( resid 31 and name HB#
	 ) 4.6 0.9 0.9 volume=29854993.750 peak=3107 ppm1=1.166 ppm2=1.669

assign ( resid 35 and name HB3
	 )
       ( resid 34 and name HB
	 ) 5.0 1.0 1.0 volume=17366494.516 peak=3109 ppm1=1.173 ppm2=2.237

assign ( resid 54 and name HZ
	 )
       ( resid 35 and name HB3
	 ) 4.6 0.9 0.9 volume=27201452.562 peak=3110 ppm1=7.355 ppm2=1.163

assign ( resid 43 and name HB3
	 )
       ( resid 37 and name HE#
	 ) 5.1 1.0 1.0 volume=14826876.406 peak=3111 ppm1=1.422 ppm2=6.831

assign ( resid 43 and name HB2
	 )
       ( resid 37 and name HD#
	 ) 4.8 1.0 1.0 volume=23065722.156 peak=3112 ppm1=1.807 ppm2=7.027

assign ( resid 43 and name HB3
	 )
       ( resid 37 and name HD#
	 ) 5.1 1.0 1.0 volume=15401933.172 peak=3113 ppm1=1.421 ppm2=7.038

assign ( resid 29 and name HA
	 )
       ( resid 40 and name HG2#
	 ) 2.8 0.6 0.6 volume=501601079.000 peak=3114 ppm1=4.358 ppm2=1.292

assign ( resid 29 and name HA
	 )
       ( resid 32 and name HB#
	 ) 2.9 0.6 0.6 volume=441634481.000 peak=3115 ppm1=4.359 ppm2=1.529

assign ( resid 29 and name HA
	 )
       ( resid 31 and name HB#
	 ) 4.3 0.9 0.9 volume=42111578.688 peak=3116 ppm1=4.362 ppm2=1.666

assign ( resid 29 and name HA
	 )
       ( resid 26 and name HD1#
	 or resid 28 and name HD1#
	 or resid 43 and name HD2#
	 ) 4.2 0.8 0.8 volume=49407754.125 peak=3117 ppm1=4.363 ppm2=0.905

assign ( resid 29 and name HA
	 )
       ( resid 28 and name HB2
	 ) 4.0 0.8 0.8 volume=64052070.750 peak=3118 ppm1=4.358 ppm2=1.987

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HB2
	 ) 2.8 0.6 0.6 volume=512627620.000 peak=3119 ppm1=4.358 ppm2=2.605

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HB3
	 ) 3.0 0.6 0.6 volume=351669108.000 peak=3120 ppm1=4.359 ppm2=2.969

assign ( resid 29 and name HA
	 )
       ( resid 33 and name H
	 ) 4.1 0.8 0.8 volume=56045870.188 peak=3121 ppm1=4.359 ppm2=7.684

assign ( resid 29 and name HA
	 )
       ( resid 30 and name H
	 ) 3.6 0.7 0.7 volume=120234954.500 peak=3122 ppm1=4.359 ppm2=8.304

assign ( resid 96 and name HG13
	 )
       ( resid 94 and name H
	 ) 4.3 0.9 0.9 volume=40217635.125 peak=3123 ppm1=1.652 ppm2=7.621

assign ( resid 26 and name HG
	 )
       ( resid 30 and name HE22
	 ) 4.5 0.9 0.9 volume=30781898.000 peak=3124 ppm1=1.654 ppm2=7.160

assign ( resid 96 and name HG13
	 )
       ( resid 95 and name HG2
	 ) 3.8 0.8 0.8 volume=92606423.750 peak=3125 ppm1=1.658 ppm2=2.268

assign ( resid 96 and name HG13
	 )
       ( resid 96 and name HB
	 ) 2.7 0.5 0.5 volume=660752861.000 peak=3126 ppm1=1.658 ppm2=1.919

assign ( resid 43 and name HD2#
	 )
       ( resid 29 and name H
	 ) 5.0 1.0 1.0 volume=17202654.270 peak=3127 ppm1=0.895 ppm2=9.296

assign ( resid 43 and name HD2#
	 )
       ( resid 31 and name H
	 ) 3.9 0.8 0.8 volume=75872883.125 peak=3128 ppm1=0.896 ppm2=8.912

assign ( resid 43 and name HD2#
	 )
       ( resid 40 and name HG2#
	 ) 3.2 0.6 0.6 volume=269433589.000 peak=3129 ppm1=0.900 ppm2=1.314

assign ( resid 43 and name HD2#
	 )
       ( resid 43 and name HB3
	 ) 3.0 0.6 0.6 volume=358465203.375 peak=3130 ppm1=0.902 ppm2=1.429

assign ( resid 43 and name HD2#
	 )
       ( resid 28 and name HD2#
	 ) 2.3 0.5 0.5 volume=1838591424.000 peak=3131 ppm1=0.897 ppm2=0.780

assign ( resid 43 and name HD2#
	 )
       ( resid 35 and name HD1#
	 ) 4.6 0.9 0.9 volume=28535231.988 peak=3132 ppm1=0.900 ppm2=0.114

assign ( resid 42 and name HA
	 )
       ( resid 42 and name H
	 ) 3.7 0.7 0.7 volume=102421722.375 peak=3133 ppm1=4.482 ppm2=8.414

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HG
	 ) 4.3 0.9 0.9 volume=41049081.438 peak=3134 ppm1=4.475 ppm2=1.655

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HB3
	 ) 4.6 0.9 0.9 volume=29907306.969 peak=3135 ppm1=4.480 ppm2=1.410

assign ( resid 80 and name HA
	 )
       ( resid 79 and name HG12
	 ) 4.8 1.0 1.0 volume=22925934.406 peak=3136 ppm1=4.502 ppm2=0.120

assign ( resid 29 and name HA
	 )
       ( resid 29 and name H
	 ) 3.0 0.6 0.6 volume=377150729.500 peak=3137 ppm1=4.359 ppm2=9.300

assign ( resid 75 and name HA
	 )
       ( resid 75 and name HB2
	 ) 3.2 0.6 0.6 volume=235778253.500 peak=3138 ppm1=4.392 ppm2=3.692

assign ( resid 75 and name HA
	 )
       ( resid 76 and name H
	 ) 3.9 0.8 0.8 volume=80042035.094 peak=3139 ppm1=4.395 ppm2=9.255

assign ( resid 75 and name HA
	 )
       ( resid 74 and name HA
	 ) 5.0 1.0 1.0 volume=17124151.273 peak=3140 ppm1=4.383 ppm2=4.882

assign ( resid 83 and name HG2
	 )
       ( resid 83 and name HA
	 ) 4.6 0.9 0.9 volume=26676573.969 peak=3141 ppm1=1.943 ppm2=5.093

assign ( resid 83 and name HG3
	 )
       ( resid 82 and name HA
	 ) 5.0 1.0 1.0 volume=16331450.062 peak=3142 ppm1=2.060 ppm2=4.975

assign ( resid 83 and name HG2
	 )
       ( resid 82 and name HA
	 ) 4.9 1.0 1.0 volume=18247002.500 peak=3143 ppm1=1.948 ppm2=4.972

assign ( resid 83 and name HG3
	 )
       ( resid 86 and name HD2
	 ) 4.7 0.9 0.9 volume=24501919.188 peak=3144 ppm1=2.042 ppm2=6.900

assign ( resid 83 and name HG2
	 )
       ( resid 86 and name HD2
	 ) 4.7 0.9 0.9 volume=24031205.906 peak=3145 ppm1=1.968 ppm2=6.908

assign ( resid 97 and name HG2
	 )
       ( resid 97 and name HA
	 ) 3.5 0.7 0.7 volume=134782102.250 peak=3146 ppm1=1.997 ppm2=4.471

assign ( resid 83 and name HD2
	 )
       ( resid 83 and name HG3
	 ) 3.1 0.6 0.6 volume=248111536.500 peak=3147 ppm1=3.423 ppm2=2.057

assign ( resid 83 and name HG2
	 )
       ( resid 83 and name HD2
	 ) 3.4 0.7 0.7 volume=179663017.000 peak=3148 ppm1=1.953 ppm2=3.428

assign ( resid 97 and name HG3
	 )
       ( resid 97 and name HD2
	 ) 2.9 0.6 0.6 volume=412804590.000 peak=3149 ppm1=2.064 ppm2=3.923

assign ( resid 30 and name HB3
	 )
       ( resid 30 and name HA
	 ) 3.2 0.6 0.6 volume=243455101.000 peak=3151 ppm1=2.103 ppm2=4.135

assign ( resid 30 and name HB2
	 )
       ( resid 30 and name HA
	 ) 3.2 0.6 0.6 volume=230400106.500 peak=3152 ppm1=2.026 ppm2=4.134

assign ( resid 97 and name HG3
	 )
       ( resid 96 and name HA
	 ) 3.8 0.8 0.8 volume=85212964.875 peak=3153 ppm1=2.065 ppm2=4.336

assign ( resid 30 and name HB2
	 )
       ( resid 30 and name HG3
	 ) 3.3 0.7 0.7 volume=198614636.000 peak=3155 ppm1=2.024 ppm2=2.827

assign ( resid 83 and name HG3
	 )
       ( resid 87 and name HB#
	 ) 3.6 0.7 0.7 volume=131283767.000 peak=3156 ppm1=2.059 ppm2=1.739

assign ( resid 97 and name HG2
	 )
       ( resid 96 and name HG2#
	 ) 3.1 0.6 0.6 volume=321021531.000 peak=3157 ppm1=2.018 ppm2=0.895

assign ( resid 97 and name HG2
	 )
       ( resid 99 and name HD1#
	 ) 3.1 0.6 0.6 volume=280725158.500 peak=3158 ppm1=2.021 ppm2=0.785

assign ( resid 97 and name HG3
	 )
       ( resid 96 and name HG2#
	 or resid 99 and name HG2#
	 ) 3.1 0.6 0.6 volume=284531403.500 peak=3159 ppm1=2.098 ppm2=0.898

assign ( resid 97 and name HG2
	 )
       ( resid 97 and name HD3
	 ) 2.9 0.6 0.6 volume=457056659.000 peak=3161 ppm1=1.998 ppm2=3.675

assign ( resid 97 and name HG2
	 )
       ( resid 96 and name HA
	 ) 4.1 0.8 0.8 volume=52322938.625 peak=3162 ppm1=2.008 ppm2=4.328

assign ( resid 30 and name HB2
	 )
       ( resid 65 and name HD2
	 ) 4.3 0.9 0.9 volume=45014358.312 peak=3163 ppm1=2.020 ppm2=7.189

assign ( resid 30 and name HB3
	 )
       ( resid 30 and name H
	 ) 3.4 0.7 0.7 volume=185901584.250 peak=3164 ppm1=2.102 ppm2=8.298

assign ( resid 30 and name HB2
	 )
       ( resid 30 and name H
	 ) 3.4 0.7 0.7 volume=179609699.750 peak=3165 ppm1=2.021 ppm2=8.296

assign ( resid 30 and name HB3
	 )
       ( resid 31 and name H
	 ) 3.7 0.7 0.7 volume=110211946.250 peak=3166 ppm1=2.107 ppm2=8.907

assign ( resid 30 and name HB2
	 )
       ( resid 31 and name H
	 ) 3.6 0.7 0.7 volume=113710261.250 peak=3167 ppm1=2.027 ppm2=8.907

assign ( resid 30 and name HB3
	 )
       ( resid 32 and name H
	 ) 4.6 0.9 0.9 volume=26397922.688 peak=3168 ppm1=2.102 ppm2=8.770

assign ( resid 30 and name HB2
	 )
       ( resid 32 and name H
	 ) 4.4 0.9 0.9 volume=36719354.250 peak=3169 ppm1=2.026 ppm2=8.776

assign ( resid 97 and name HG3
	 )
       ( resid 98 and name H
	 ) 4.9 1.0 1.0 volume=18624115.172 peak=3170 ppm1=2.062 ppm2=8.529

assign ( resid 49 and name HA
	 )
       ( resid 35 and name HD2#
	 ) 4.6 0.9 0.9 volume=27277140.094 peak=3172 ppm1=4.288 ppm2=0.630

assign ( resid 49 and name HA
	 )
       ( resid 54 and name HB2
	 ) 4.1 0.8 0.8 volume=53042766.625 peak=3173 ppm1=4.289 ppm2=2.824

assign ( resid 49 and name HA
	 )
       ( resid 48 and name HA
	 ) 4.8 1.0 1.0 volume=22730494.547 peak=3174 ppm1=4.288 ppm2=4.617

assign ( resid 40 and name HA
	 )
       ( resid 37 and name HE#
	 ) 4.5 0.9 0.9 volume=31069657.906 peak=3175 ppm1=4.292 ppm2=6.806

assign ( resid 49 and name HA
	 )
       ( resid 53 and name H
	 ) 4.9 1.0 1.0 volume=20395103.906 peak=3176 ppm1=4.286 ppm2=7.803

assign ( resid 49 and name HA
	 )
       ( resid 54 and name H
	 ) 4.5 0.9 0.9 volume=33305911.625 peak=3177 ppm1=4.294 ppm2=8.099

assign ( resid 74 and name HB3
	 )
       ( resid 75 and name HB3
	 ) 5.1 1.0 1.0 volume=15134401.688 peak=3178 ppm1=1.516 ppm2=4.031

assign ( resid 88 and name HB
	 )
       ( resid 87 and name H
	 ) 4.7 0.9 0.9 volume=25047546.625 peak=3179 ppm1=2.320 ppm2=8.253

assign ( resid 97 and name HB2
	 )
       ( resid 96 and name HA
	 ) 3.9 0.8 0.8 volume=51814655.500 peak=3180 ppm1=2.298 ppm2=4.333

assign ( resid 50 and name HB3
	 )
       ( resid 49 and name HB3
	 ) 4.4 0.9 0.9 volume=34206921.938 peak=3181 ppm1=1.998 ppm2=2.695

assign ( resid 50 and name HB3
	 )
       ( resid 51 and name HB3
	 ) 4.3 0.9 0.9 volume=40416114.750 peak=3182 ppm1=2.008 ppm2=2.852

assign ( resid 27 and name HB
	 )
       ( resid 62 and name HD2#
	 ) 4.8 1.0 1.0 volume=22024619.188 peak=3184 ppm1=2.311 ppm2=0.249

assign ( resid 88 and name HB
	 )
       ( resid 79 and name HG2#
	 ) 4.3 0.9 0.9 volume=14358564.133 peak=3185 ppm1=2.327 ppm2=-0.154

assign ( resid 46 and name HD2
	 )
       ( resid 84 and name HG2#
	 ) 5.0 1.0 1.0 volume=17722246.406 peak=3186 ppm1=6.981 ppm2=1.018

assign ( resid 46 and name HD2
	 )
       ( resid 28 and name HD1#
	 ) 5.1 1.0 1.0 volume=15163214.750 peak=3187 ppm1=6.986 ppm2=0.874

assign ( resid 46 and name HD2
	 )
       ( resid 28 and name HD2#
	 ) 5.2 1.0 1.0 volume=13304346.859 peak=3188 ppm1=6.980 ppm2=0.784

assign ( resid 29 and name HA
	 )
       ( resid 32 and name H
	 ) 3.4 0.7 0.7 volume=157835170.250 peak=3189 ppm1=4.365 ppm2=8.764

assign ( resid 29 and name HA
	 )
       ( resid 31 and name H
	 ) 4.7 0.9 0.9 volume=24690983.586 peak=3190 ppm1=4.355 ppm2=8.916

# Restraints file 2: mH0ACPa_n_180709.tbl
assign ( resid 95 and name HE21
	 )
       ( resid 91 and name HE1
	 ) 3.8 0.8 0.8 volume=96917998.578 peak=1 ppm1=6.569 ppm2=7.700

assign ( resid 95 and name HE22
	 )
       ( resid 91 and name HE1
	 ) 3.7 0.7 0.7 volume=109480921.312 peak=2 ppm1=6.326 ppm2=7.702

assign ( resid 95 and name HE21
	 )
       ( resid 95 and name HA
	 ) 3.8 0.8 0.8 volume=95125801.688 peak=5 ppm1=6.569 ppm2=4.208

assign ( resid 95 and name HE22
	 )
       ( resid 95 and name HA
	 ) 4.1 0.8 0.8 volume=56627332.812 peak=6 ppm1=6.326 ppm2=4.203

assign ( resid 95 and name HE21
	 )
       ( resid 92 and name HA
	 ) 3.9 0.8 0.8 volume=86211802.750 peak=7 ppm1=6.570 ppm2=3.593

assign ( resid 95 and name HE21
	 )
       ( resid 95 and name HB3
	 or resid 95 and name HG2
	 ) 3.0 0.6 0.6 volume=397131783.500 peak=8 ppm1=6.569 ppm2=2.255

assign ( resid 95 and name HE21
	 )
       ( resid 94 and name HB2
	 ) 3.5 0.7 0.7 volume=164871813.000 peak=9 ppm1=6.570 ppm2=2.100

assign ( resid 95 and name HE22
	 )
       ( resid 94 and name HB2
	 ) 3.8 0.8 0.8 volume=88719163.250 peak=10 ppm1=6.327 ppm2=2.099

assign ( resid 95 and name HE21
	 )
       ( resid 95 and name HG3
	 ) 3.2 0.6 0.6 volume=244244246.000 peak=11 ppm1=6.569 ppm2=1.955

assign ( resid 95 and name HE22
	 )
       ( resid 95 and name HG3
	 ) 3.7 0.7 0.7 volume=103413484.500 peak=12 ppm1=6.326 ppm2=1.957

assign ( resid 95 and name HE21
	 )
       ( resid 92 and name HD1#
	 ) 5.0 1.0 1.0 volume=18812710.078 peak=13 ppm1=6.567 ppm2=1.060

assign ( resid 95 and name HE22
	 )
       ( resid 92 and name HD1#
	 ) 5.8 1.2 1.2 volume=7679117.656 peak=14 ppm1=6.323 ppm2=1.063

assign ( resid 95 and name HE21
	 )
       ( resid 74 and name HD1#
	 ) 3.8 0.8 0.8 volume=88741069.688 peak=15 ppm1=6.570 ppm2=0.918

assign ( resid 95 and name HE22
	 )
       ( resid 74 and name HD1#
	 ) 3.7 0.7 0.7 volume=110777092.312 peak=16 ppm1=6.326 ppm2=0.919

assign ( resid 95 and name HE21
	 )
       ( resid 92 and name HD2#
	 ) 3.7 0.7 0.7 volume=114371227.750 peak=17 ppm1=6.569 ppm2=0.781

assign ( resid 95 and name HE22
	 )
       ( resid 92 and name HD2#
	 ) 3.8 0.8 0.8 volume=87273968.000 peak=18 ppm1=6.325 ppm2=0.790

assign ( resid 29 and name H
	 )
       ( resid 28 and name H
	 ) 2.9 0.6 0.6 volume=511729090.000 peak=19 ppm1=9.235 ppm2=8.358

assign ( resid 29 and name H
	 )
       ( resid 30 and name H
	 ) 2.9 0.6 0.6 volume=446926192.500 peak=20 ppm1=9.236 ppm2=8.243

assign ( resid 29 and name H
	 )
       ( resid 31 and name H
	 ) 4.1 0.8 0.8 volume=63931270.875 peak=22 ppm1=9.235 ppm2=8.871

assign ( resid 29 and name H
	 )
       ( resid 32 and name H
	 ) 4.5 0.9 0.9 volume=36436836.438 peak=23 ppm1=9.233 ppm2=8.715

assign ( resid 67 and name HE22
	 )
       ( resid 67 and name HE21
	 ) 2.2 0.4 0.4 volume=2760467980.000 peak=24 ppm1=6.817 ppm2=7.378

assign ( resid 66 and name H
	 )
       ( resid 67 and name HE22
	 ) 4.7 0.9 0.9 volume=5313280.156 peak=28 ppm1=8.740 ppm2=6.836

assign ( resid 68 and name H
	 )
       ( resid 67 and name HE22
	 ) 4.2 0.8 0.8 volume=18347659.875 peak=29 ppm1=8.259 ppm2=6.818

assign ( resid 74 and name H
	 )
       ( resid 67 and name HE22
	 ) 4.4 0.9 0.9 volume=32269615.875 peak=31 ppm1=9.175 ppm2=6.826

assign ( resid 67 and name HE21
	 )
       ( resid 64 and name HA
	 ) 3.2 0.6 0.6 volume=268314658.125 peak=32 ppm1=7.376 ppm2=4.389

assign ( resid 67 and name HE22
	 )
       ( resid 64 and name HA
	 ) 3.4 0.7 0.7 volume=200197029.938 peak=33 ppm1=6.818 ppm2=4.390

assign ( resid 67 and name HE21
	 )
       ( resid 67 and name HA
	 ) 4.0 0.8 0.8 volume=73303571.406 peak=34 ppm1=7.374 ppm2=4.163

assign ( resid 67 and name HE21
	 )
       ( resid 64 and name HB3
	 ) 4.2 0.8 0.8 volume=53593560.438 peak=35 ppm1=7.375 ppm2=3.020

assign ( resid 67 and name HE21
	 )
       ( resid 67 and name HG3
	 ) 3.4 0.7 0.7 volume=171814121.000 peak=36 ppm1=7.376 ppm2=2.859

assign ( resid 67 and name HE21
	 )
       ( resid 67 and name HG2
	 ) 2.8 0.6 0.6 volume=540422861.000 peak=37 ppm1=7.376 ppm2=2.547

assign ( resid 67 and name HE21
	 )
       ( resid 67 and name HB3
	 ) 3.0 0.6 0.6 volume=375953952.750 peak=38 ppm1=7.376 ppm2=2.280

assign ( resid 67 and name HE21
	 )
       ( resid 66 and name HB3
	 ) 4.8 1.0 1.0 volume=22133911.938 peak=39 ppm1=7.376 ppm2=2.020

assign ( resid 67 and name HE21
	 )
       ( resid 69 and name HB#
	 or resid 74 and name HB3
	 ) 4.2 0.8 0.8 volume=53673776.625 peak=40 ppm1=7.376 ppm2=1.530

assign ( resid 67 and name HE22
	 )
       ( resid 64 and name HB3
	 ) 4.2 0.8 0.8 volume=50384937.812 peak=41 ppm1=6.819 ppm2=3.019

assign ( resid 67 and name HE22
	 )
       ( resid 67 and name HG3
	 ) 3.6 0.7 0.7 volume=125588434.375 peak=42 ppm1=6.818 ppm2=2.857

assign ( resid 67 and name HE22
	 )
       ( resid 67 and name HG2
	 ) 3.0 0.6 0.6 volume=405468287.500 peak=43 ppm1=6.817 ppm2=2.548

assign ( resid 67 and name HE22
	 )
       ( resid 67 and name HB3
	 ) 3.2 0.6 0.6 volume=287391958.000 peak=44 ppm1=6.817 ppm2=2.279

assign ( resid 67 and name HE22
	 )
       ( resid 63 and name HB3
	 ) 4.9 1.0 1.0 volume=21605427.562 peak=45 ppm1=6.818 ppm2=2.032

assign ( resid 67 and name HE22
	 )
       ( resid 69 and name HB#
	 or resid 74 and name HB3
	 ) 4.4 0.9 0.9 volume=39440831.094 peak=46 ppm1=6.816 ppm2=1.531

assign ( resid 67 and name HE21
	 )
       ( resid 74 and name HD2#
	 ) 4.4 0.9 0.9 volume=38402965.500 peak=47 ppm1=7.377 ppm2=0.813

assign ( resid 67 and name HE22
	 )
       ( resid 74 and name HD2#
	 ) 4.7 0.9 0.9 volume=25086249.594 peak=48 ppm1=6.818 ppm2=0.809

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG12
	 ) 3.2 0.6 0.6 volume=259780390.500 peak=49 ppm1=7.576 ppm2=0.130

assign ( resid 79 and name H
	 )
       ( resid 79 and name HD1#
	 ) 3.4 0.7 0.7 volume=191321059.906 peak=50 ppm1=7.576 ppm2=0.004

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG2#
	 ) 2.9 0.6 0.6 volume=511283286.500 peak=51 ppm1=7.576 ppm2=-0.146

assign ( resid 79 and name H
	 )
       ( resid 78 and name HB3
	 ) 2.9 0.6 0.6 volume=479443871.500 peak=52 ppm1=7.575 ppm2=1.746

assign ( resid 79 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.1 0.6 0.6 volume=294710657.000 peak=53 ppm1=7.576 ppm2=1.386

assign ( resid 79 and name H
	 )
       ( resid 79 and name HB
	 ) 2.9 0.6 0.6 volume=463600325.500 peak=54 ppm1=7.576 ppm2=1.290

assign ( resid 79 and name H
	 )
       ( resid 78 and name HD2#
	 ) 3.8 0.8 0.8 volume=87240177.062 peak=55 ppm1=7.575 ppm2=1.044

assign ( resid 79 and name H
	 )
       ( resid 78 and name HD1#
	 ) 3.4 0.7 0.7 volume=172416460.250 peak=56 ppm1=7.576 ppm2=0.813

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG13
	 ) 2.9 0.6 0.6 volume=455859714.500 peak=57 ppm1=7.576 ppm2=0.633

assign ( resid 19 and name HE22
	 )
       ( resid 19 and name HE21
	 ) 2.2 0.4 0.4 volume=2427236084.000 peak=58 ppm1=6.747 ppm2=7.116

assign ( resid 19 and name HE22
	 )
       ( resid 19 and name H
	 ) 4.4 0.9 0.9 volume=24579468.428 peak=61 ppm1=6.745 ppm2=9.111

assign ( resid 19 and name HE21
	 )
       ( resid 19 and name H
	 ) 4.1 0.8 0.8 volume=50818863.625 peak=62 ppm1=7.112 ppm2=9.104

assign ( resid 31 and name H
	 )
       ( resid 30 and name H
	 ) 2.8 0.6 0.6 volume=561320473.500 peak=66 ppm1=8.860 ppm2=8.245

assign ( resid 80 and name H
	 )
       ( resid 79 and name HG12
	 ) 3.7 0.7 0.7 volume=111973867.625 peak=67 ppm1=7.551 ppm2=0.131

assign ( resid 80 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.1 0.8 0.8 volume=57155871.547 peak=68 ppm1=7.552 ppm2=0.004

assign ( resid 80 and name H
	 )
       ( resid 79 and name HG2#
	 ) 3.7 0.7 0.7 volume=116292660.250 peak=69 ppm1=7.551 ppm2=-0.145

assign ( resid 59 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.0 0.8 0.8 volume=73232229.391 peak=70 ppm1=9.006 ppm2=0.004

assign ( resid 59 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.6 0.9 0.9 volume=31667331.984 peak=71 ppm1=9.006 ppm2=-0.147

assign ( resid 78 and name H
	 )
       ( resid 79 and name HD1#
	 ) 5.1 1.0 1.0 volume=16179174.281 peak=72 ppm1=7.325 ppm2=0.002

assign ( resid 78 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.2 0.8 0.8 volume=52547991.875 peak=73 ppm1=7.323 ppm2=-0.146

assign ( resid 81 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.5 0.9 0.9 volume=32335501.906 peak=74 ppm1=7.978 ppm2=-0.147

assign ( resid 63 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.3 0.9 0.9 volume=42952134.156 peak=75 ppm1=7.630 ppm2=-0.147

assign ( resid 88 and name H
	 )
       ( resid 79 and name HG2#
	 ) 5.1 1.0 1.0 volume=15387523.297 peak=76 ppm1=8.522 ppm2=-0.145

assign ( resid 81 and name H
	 )
       ( resid 79 and name HD1#
	 ) 5.0 1.0 1.0 volume=17788078.477 peak=77 ppm1=7.980 ppm2=0.006

assign ( resid 63 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.3 0.9 0.9 volume=47286198.531 peak=78 ppm1=7.632 ppm2=0.002

assign ( resid 49 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.5 0.9 0.9 volume=34765227.320 peak=80 ppm1=8.215 ppm2=0.000

assign ( resid 54 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.1 0.8 0.8 volume=57402312.094 peak=81 ppm1=8.104 ppm2=0.002

assign ( resid 49 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.4 0.9 0.9 volume=38001097.375 peak=82 ppm1=8.214 ppm2=-0.145

assign ( resid 62 and name H
	 )
       ( resid 62 and name HD2#
	 ) 3.4 0.7 0.7 volume=188867612.250 peak=83 ppm1=8.431 ppm2=0.240

assign ( resid 62 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.6 0.9 0.9 volume=28577403.875 peak=84 ppm1=8.433 ppm2=0.003

assign ( resid 62 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.9 1.0 1.0 volume=20138780.719 peak=85 ppm1=8.432 ppm2=-0.149

assign ( resid 82 and name H
	 )
       ( resid 79 and name HG2#
	 ) 4.4 0.9 0.9 volume=39523163.000 peak=86 ppm1=7.663 ppm2=-0.145

assign ( resid 70 and name H
	 )
       ( resid 70 and name HG2#
	 ) 2.8 0.6 0.6 volume=608874345.000 peak=87 ppm1=7.619 ppm2=1.287

assign ( resid 70 and name H
	 )
       ( resid 70 and name HA
	 ) 3.0 0.6 0.6 volume=361248150.000 peak=88 ppm1=7.618 ppm2=4.497

assign ( resid 70 and name H
	 )
       ( resid 69 and name HA
	 ) 3.1 0.6 0.6 volume=313591922.000 peak=89 ppm1=7.619 ppm2=4.318

assign ( resid 70 and name H
	 )
       ( resid 66 and name HA
	 or resid 67 and name HA
	 or resid 70 and name HB
	 ) 3.0 0.6 0.6 volume=394292998.000 peak=90 ppm1=7.619 ppm2=4.147

assign ( resid 70 and name H
	 )
       ( resid 68 and name HA
	 or resid 71 and name HA2
	 ) 3.4 0.7 0.7 volume=171492954.000 peak=91 ppm1=7.620 ppm2=3.885

assign ( resid 84 and name H
	 )
       ( resid 83 and name HA
	 ) 3.3 0.7 0.7 volume=207055863.719 peak=92 ppm1=7.308 ppm2=5.072

assign ( resid 84 and name H
	 )
       ( resid 82 and name HA
	 ) 3.8 0.8 0.8 volume=100518679.500 peak=93 ppm1=7.308 ppm2=4.957

assign ( resid 77 and name H
	 )
       ( resid 77 and name HB
	 ) 3.2 0.6 0.6 volume=243607843.000 peak=94 ppm1=7.839 ppm2=4.793

assign ( resid 15 and name H
	 )
       ( resid 14 and name HA
	 ) 2.4 0.5 0.5 volume=1376686224.000 peak=95 ppm1=8.777 ppm2=4.744

assign ( resid 75 and name H
	 )
       ( resid 74 and name HA
	 ) 3.4 0.7 0.7 volume=199520606.750 peak=97 ppm1=8.981 ppm2=4.837

assign ( resid 82 and name H
	 )
       ( resid 83 and name HA
	 ) 4.5 0.9 0.9 volume=34840333.719 peak=98 ppm1=7.663 ppm2=5.087

assign ( resid 82 and name H
	 )
       ( resid 82 and name HA
	 ) 3.1 0.6 0.6 volume=332594988.000 peak=99 ppm1=7.662 ppm2=4.957

assign ( resid 73 and name H
	 )
       ( resid 73 and name HA
	 ) 3.0 0.6 0.6 volume=411478664.500 peak=100 ppm1=8.460 ppm2=4.778

assign ( resid 49 and name H
	 )
       ( resid 83 and name HA
	 ) 4.3 0.9 0.9 volume=42356940.625 peak=101 ppm1=8.215 ppm2=5.075

assign ( resid 55 and name H
	 )
       ( resid 55 and name HA
	 ) 3.0 0.6 0.6 volume=377851906.500 peak=102 ppm1=8.101 ppm2=4.919

assign ( resid 59 and name H
	 )
       ( resid 55 and name HA
	 ) 4.6 0.9 0.9 volume=31410631.750 peak=103 ppm1=9.006 ppm2=4.919

assign ( resid 95 and name HE21
	 )
       ( resid 95 and name HE22
	 ) 2.1 0.4 0.4 volume=2597434319.000 peak=105 ppm1=6.569 ppm2=6.333

assign ( resid 30 and name HE22
	 )
       ( resid 30 and name HE21
	 ) 2.2 0.4 0.4 volume=2643187354.000 peak=106 ppm1=7.079 ppm2=6.826

assign ( resid 30 and name H
	 )
       ( resid 30 and name HE22
	 ) 3.8 0.8 0.8 volume=61061316.438 peak=108 ppm1=8.241 ppm2=7.084

assign ( resid 30 and name HE21
	 )
       ( resid 30 and name H
	 ) 4.2 0.8 0.8 volume=18593627.275 peak=109 ppm1=6.822 ppm2=8.245

assign ( resid 30 and name HE22
	 )
       ( resid 68 and name HG2#
	 ) 5.4 1.1 1.1 volume=11586197.141 peak=110 ppm1=7.078 ppm2=1.277

assign ( resid 30 and name HE22
	 )
       ( resid 30 and name HA
	 ) 3.7 0.7 0.7 volume=103514903.625 peak=111 ppm1=7.079 ppm2=4.136

assign ( resid 30 and name HE21
	 )
       ( resid 30 and name HA
	 ) 4.0 0.8 0.8 volume=65772314.812 peak=112 ppm1=6.824 ppm2=4.140

assign ( resid 30 and name HE22
	 )
       ( resid 65 and name HB2
	 ) 5.4 1.1 1.1 volume=11682669.531 peak=113 ppm1=7.077 ppm2=3.578

assign ( resid 30 and name HE22
	 )
       ( resid 29 and name HB3
	 ) 4.8 1.0 1.0 volume=22515288.375 peak=114 ppm1=7.081 ppm2=2.957

assign ( resid 30 and name HE22
	 )
       ( resid 30 and name HG3
	 ) 3.1 0.6 0.6 volume=337119344.750 peak=115 ppm1=7.079 ppm2=2.804

assign ( resid 30 and name HE21
	 )
       ( resid 30 and name HG3
	 ) 3.4 0.7 0.7 volume=192287689.375 peak=116 ppm1=6.824 ppm2=2.804

assign ( resid 30 and name HE22
	 )
       ( resid 29 and name HB2
	 ) 4.2 0.8 0.8 volume=48997915.750 peak=117 ppm1=7.079 ppm2=2.604

assign ( resid 30 and name HE21
	 )
       ( resid 29 and name HB2
	 ) 5.0 1.0 1.0 volume=17645608.125 peak=118 ppm1=6.828 ppm2=2.595

assign ( resid 30 and name HE22
	 )
       ( resid 30 and name HB2
	 ) 3.2 0.6 0.6 volume=265373771.750 peak=119 ppm1=7.079 ppm2=2.008

assign ( resid 30 and name HE21
	 )
       ( resid 30 and name HG2
	 or resid 30 and name HB2
	 ) 3.5 0.7 0.7 volume=159289118.500 peak=120 ppm1=6.824 ppm2=2.006

assign ( resid 30 and name HE22
	 )
       ( resid 69 and name HB#
	 ) 3.5 0.7 0.7 volume=148377176.125 peak=121 ppm1=7.079 ppm2=1.539

assign ( resid 30 and name HE21
	 )
       ( resid 69 and name HB#
	 ) 3.6 0.7 0.7 volume=127701877.250 peak=122 ppm1=6.824 ppm2=1.538

assign ( resid 30 and name HE21
	 )
       ( resid 68 and name HG2#
	 ) 4.9 1.0 1.0 volume=21377694.844 peak=123 ppm1=6.827 ppm2=1.264

assign ( resid 30 and name HE22
	 )
       ( resid 26 and name HD1#
	 ) 3.4 0.7 0.7 volume=186093388.750 peak=124 ppm1=7.079 ppm2=0.923

assign ( resid 30 and name HE21
	 )
       ( resid 26 and name HD1#
	 ) 3.7 0.7 0.7 volume=112285423.750 peak=125 ppm1=6.823 ppm2=0.922

assign ( resid 30 and name HE22
	 )
       ( resid 26 and name HD2#
	 ) 3.8 0.8 0.8 volume=91221199.938 peak=126 ppm1=7.079 ppm2=0.772

assign ( resid 30 and name HE21
	 )
       ( resid 26 and name HD2#
	 ) 4.2 0.8 0.8 volume=52848000.812 peak=127 ppm1=6.824 ppm2=0.771

assign ( resid 30 and name HE22
	 )
       ( resid 26 and name HA
	 ) 4.3 0.9 0.9 volume=44634868.500 peak=128 ppm1=7.077 ppm2=4.335

assign ( resid 30 and name HE21
	 )
       ( resid 26 and name HA
	 ) 4.6 0.9 0.9 volume=30770920.547 peak=129 ppm1=6.826 ppm2=4.330

assign ( resid 19 and name HE21
	 )
       ( resid 11 and name HA
	 ) 3.9 0.8 0.8 volume=84186980.438 peak=130 ppm1=7.112 ppm2=4.349

assign ( resid 19 and name HE22
	 )
       ( resid 11 and name HA
	 ) 3.9 0.8 0.8 volume=77209475.312 peak=131 ppm1=6.748 ppm2=4.347

assign ( resid 19 and name HE21
	 )
       ( resid 12 and name HA
	 ) 3.6 0.7 0.7 volume=127851965.500 peak=132 ppm1=7.112 ppm2=4.139

assign ( resid 19 and name HE22
	 )
       ( resid 12 and name HA
	 ) 3.7 0.7 0.7 volume=105085209.875 peak=133 ppm1=6.747 ppm2=4.141

assign ( resid 19 and name HE21
	 )
       ( resid 19 and name HA
	 ) 4.0 0.8 0.8 volume=69044921.438 peak=134 ppm1=7.112 ppm2=3.844

assign ( resid 19 and name HE21
	 )
       ( resid 19 and name HG3
	 ) 3.2 0.6 0.6 volume=265390746.000 peak=135 ppm1=7.112 ppm2=2.851

assign ( resid 19 and name HE22
	 )
       ( resid 19 and name HG3
	 ) 3.3 0.7 0.7 volume=205640740.250 peak=136 ppm1=6.747 ppm2=2.851

assign ( resid 19 and name HE21
	 )
       ( resid 19 and name HB3
	 ) 4.1 0.8 0.8 volume=62364694.250 peak=137 ppm1=7.112 ppm2=2.459

assign ( resid 19 and name HE22
	 )
       ( resid 19 and name HB3
	 ) 4.4 0.9 0.9 volume=41801876.320 peak=138 ppm1=6.747 ppm2=2.459

assign ( resid 19 and name HE21
	 )
       ( resid 19 and name HG2
	 ) 3.1 0.6 0.6 volume=318805464.000 peak=139 ppm1=7.112 ppm2=2.255

assign ( resid 19 and name HE22
	 )
       ( resid 19 and name HG2
	 ) 3.2 0.6 0.6 volume=251976546.000 peak=140 ppm1=6.747 ppm2=2.254

assign ( resid 19 and name HE21
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HG
	 or resid 19 and name HB2
	 ) 3.2 0.6 0.6 volume=275409977.500 peak=141 ppm1=7.112 ppm2=1.916

assign ( resid 19 and name HE22
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HG
	 or resid 19 and name HB2
	 or resid 99 and name HB
	 ) 3.3 0.7 0.7 volume=238685607.750 peak=142 ppm1=6.747 ppm2=1.921

assign ( resid 19 and name HE21
	 )
       ( resid 11 and name HB2
	 ) 3.4 0.7 0.7 volume=169372006.250 peak=143 ppm1=7.112 ppm2=1.754

assign ( resid 19 and name HE22
	 )
       ( resid 11 and name HB2
	 ) 3.7 0.7 0.7 volume=111221942.375 peak=144 ppm1=6.747 ppm2=1.754

assign ( resid 19 and name HE21
	 )
       ( resid 11 and name HB3
	 ) 3.3 0.7 0.7 volume=215921955.500 peak=145 ppm1=7.112 ppm2=1.494

assign ( resid 19 and name HE22
	 )
       ( resid 11 and name HB3
	 ) 3.4 0.7 0.7 volume=180852433.500 peak=146 ppm1=6.747 ppm2=1.494

assign ( resid 19 and name HE22
	 )
       ( resid 99 and name HG12
	 ) 5.4 1.1 1.1 volume=11894533.828 peak=147 ppm1=6.741 ppm2=1.202

assign ( resid 19 and name HE21
	 )
       ( resid 14 and name HD2#
	 ) 3.4 0.7 0.7 volume=184957026.750 peak=148 ppm1=7.112 ppm2=0.876

assign ( resid 19 and name HE22
	 )
       ( resid 14 and name HD2#
	 or resid 14 and name HD1#
	 or resid 99 and name HG2#
	 ) 3.5 0.7 0.7 volume=162944831.750 peak=149 ppm1=6.747 ppm2=0.872

assign ( resid 19 and name HE21
	 )
       ( resid 11 and name HD2#
	 or resid 14 and name HD1#
	 ) 3.3 0.7 0.7 volume=222636897.500 peak=150 ppm1=7.112 ppm2=0.780

assign ( resid 19 and name HE22
	 )
       ( resid 11 and name HD2#
	 or resid 99 and name HD1#
	 ) 3.4 0.7 0.7 volume=200267016.000 peak=151 ppm1=6.747 ppm2=0.792

assign ( resid 73 and name HD21
	 )
       ( resid 73 and name HD22
	 ) 2.5 0.5 0.5 volume=1185143791.000 peak=152 ppm1=6.911 ppm2=7.595

assign ( resid 73 and name HD22
	 )
       ( resid 73 and name HB3
	 ) 3.8 0.8 0.8 volume=93463754.688 peak=153 ppm1=7.591 ppm2=2.700

assign ( resid 73 and name HD21
	 )
       ( resid 73 and name HB3
	 ) 3.9 0.8 0.8 volume=75336585.438 peak=154 ppm1=6.913 ppm2=2.703

assign ( resid 95 and name HE21
	 )
       ( resid 95 and name H
	 ) 3.8 0.8 0.8 volume=95931216.500 peak=155 ppm1=6.569 ppm2=7.451

assign ( resid 95 and name H
	 )
       ( resid 95 and name HE22
	 ) 4.3 0.9 0.9 volume=42161051.219 peak=156 ppm1=7.441 ppm2=6.333

assign ( resid 70 and name H
	 )
       ( resid 71 and name H
	 ) 2.5 0.5 0.5 volume=843864362.500 peak=157 ppm1=7.619 ppm2=8.600

assign ( resid 68 and name H
	 )
       ( resid 70 and name H
	 ) 3.7 0.7 0.7 volume=86071739.688 peak=158 ppm1=8.257 ppm2=7.631

assign ( resid 69 and name H
	 )
       ( resid 70 and name H
	 ) 2.7 0.5 0.5 volume=400958668.500 peak=159 ppm1=7.981 ppm2=7.626

assign ( resid 70 and name H
	 )
       ( resid 69 and name HB#
	 ) 2.9 0.6 0.6 volume=497761164.500 peak=160 ppm1=7.619 ppm2=1.537

assign ( resid 70 and name H
	 )
       ( resid 74 and name HD2#
	 ) 3.3 0.7 0.7 volume=240547588.500 peak=161 ppm1=7.618 ppm2=0.788

assign ( resid 71 and name H
	 )
       ( resid 70 and name HA
	 ) 3.4 0.7 0.7 volume=187091965.750 peak=163 ppm1=8.592 ppm2=4.490

assign ( resid 71 and name H
	 )
       ( resid 71 and name HA3
	 ) 2.7 0.5 0.5 volume=746680673.000 peak=164 ppm1=8.592 ppm2=4.313

assign ( resid 71 and name H
	 )
       ( resid 70 and name HB
	 ) 3.3 0.7 0.7 volume=219269034.750 peak=165 ppm1=8.592 ppm2=4.152

assign ( resid 71 and name H
	 )
       ( resid 71 and name HA2
	 ) 2.6 0.5 0.5 volume=916193781.500 peak=166 ppm1=8.592 ppm2=3.877

assign ( resid 71 and name H
	 )
       ( resid 69 and name HB#
	 ) 3.3 0.7 0.7 volume=215032531.250 peak=167 ppm1=8.592 ppm2=1.539

assign ( resid 71 and name H
	 )
       ( resid 70 and name HG2#
	 ) 3.2 0.6 0.6 volume=252510842.000 peak=168 ppm1=8.592 ppm2=1.275

assign ( resid 71 and name H
	 )
       ( resid 72 and name HD2#
	 or resid 74 and name HD2#
	 ) 3.5 0.7 0.7 volume=143114963.750 peak=169 ppm1=8.593 ppm2=0.817

assign ( resid 53 and name H
	 )
       ( resid 51 and name HA
	 ) 3.9 0.8 0.8 volume=81511115.281 peak=171 ppm1=7.739 ppm2=4.547

assign ( resid 53 and name H
	 )
       ( resid 53 and name HA2
	 ) 2.7 0.5 0.5 volume=768892607.000 peak=172 ppm1=7.737 ppm2=4.384

assign ( resid 53 and name H
	 )
       ( resid 54 and name HA
	 ) 4.1 0.8 0.8 volume=58056645.188 peak=173 ppm1=7.737 ppm2=4.096

assign ( resid 53 and name H
	 )
       ( resid 53 and name HA3
	 ) 2.7 0.5 0.5 volume=800064532.000 peak=174 ppm1=7.737 ppm2=3.812

assign ( resid 53 and name H
	 )
       ( resid 51 and name HB3
	 or resid 54 and name HB2
	 ) 3.6 0.7 0.7 volume=131708370.125 peak=175 ppm1=7.737 ppm2=2.832

assign ( resid 53 and name H
	 )
       ( resid 49 and name HB3
	 ) 3.9 0.8 0.8 volume=83124152.438 peak=176 ppm1=7.737 ppm2=2.683

assign ( resid 53 and name H
	 )
       ( resid 52 and name HB2
	 ) 3.5 0.7 0.7 volume=147226976.625 peak=177 ppm1=7.737 ppm2=2.312

assign ( resid 53 and name H
	 )
       ( resid 52 and name HB3
	 ) 3.3 0.7 0.7 volume=214928381.250 peak=178 ppm1=7.737 ppm2=1.834

assign ( resid 53 and name H
	 )
       ( resid 52 and name HD1#
	 ) 4.1 0.8 0.8 volume=59091415.828 peak=179 ppm1=7.737 ppm2=0.996

assign ( resid 53 and name H
	 )
       ( resid 52 and name HD2#
	 ) 4.1 0.8 0.8 volume=60298656.812 peak=180 ppm1=7.737 ppm2=0.763

assign ( resid 36 and name H
	 )
       ( resid 37 and name H
	 ) 2.7 0.5 0.5 volume=769711016.000 peak=182 ppm1=7.746 ppm2=8.181

assign ( resid 36 and name H
	 )
       ( resid 36 and name HA2
	 ) 2.6 0.5 0.5 volume=896596831.000 peak=184 ppm1=7.745 ppm2=3.824

assign ( resid 36 and name H
	 )
       ( resid 36 and name HA3
	 ) 2.7 0.5 0.5 volume=813197452.000 peak=185 ppm1=7.746 ppm2=4.067

assign ( resid 36 and name H
	 )
       ( resid 33 and name HA
	 ) 3.4 0.7 0.7 volume=186931968.875 peak=186 ppm1=7.746 ppm2=4.307

assign ( resid 36 and name H
	 )
       ( resid 37 and name HB3
	 ) 4.2 0.8 0.8 volume=49860590.312 peak=187 ppm1=7.746 ppm2=3.330

assign ( resid 36 and name H
	 )
       ( resid 37 and name HB2
	 ) 3.9 0.8 0.8 volume=83461013.031 peak=188 ppm1=7.744 ppm2=2.919

assign ( resid 36 and name H
	 )
       ( resid 34 and name HB
	 ) 4.2 0.8 0.8 volume=52647528.312 peak=189 ppm1=7.747 ppm2=2.253

assign ( resid 36 and name H
	 )
       ( resid 35 and name HB2
	 ) 3.2 0.6 0.6 volume=246775486.000 peak=190 ppm1=7.745 ppm2=1.403

assign ( resid 36 and name H
	 )
       ( resid 35 and name HB3
	 ) 3.6 0.7 0.7 volume=129616019.625 peak=191 ppm1=7.745 ppm2=1.181

assign ( resid 36 and name H
	 )
       ( resid 34 and name HG1#
	 ) 4.1 0.8 0.8 volume=60096634.375 peak=192 ppm1=7.745 ppm2=0.879

assign ( resid 36 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.1 0.8 0.8 volume=62479952.625 peak=193 ppm1=7.745 ppm2=0.624

assign ( resid 36 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.0 0.8 0.8 volume=65910567.500 peak=194 ppm1=7.745 ppm2=0.117

assign ( resid 98 and name H
	 )
       ( resid 99 and name H
	 ) 3.7 0.7 0.7 volume=74105907.969 peak=196 ppm1=8.443 ppm2=7.739

assign ( resid 98 and name H
	 )
       ( resid 97 and name HA
	 ) 3.1 0.6 0.6 volume=292481987.375 peak=197 ppm1=8.442 ppm2=4.478

assign ( resid 98 and name H
	 )
       ( resid 98 and name HA2
	 ) 3.0 0.6 0.6 volume=366871958.500 peak=198 ppm1=8.442 ppm2=3.965

assign ( resid 98 and name H
	 )
       ( resid 97 and name HB2
	 ) 4.2 0.8 0.8 volume=52002178.375 peak=199 ppm1=8.442 ppm2=2.302

assign ( resid 98 and name H
	 )
       ( resid 96 and name HB
	 ) 4.1 0.8 0.8 volume=63273732.000 peak=200 ppm1=8.441 ppm2=1.942

assign ( resid 99 and name H
	 )
       ( resid 100 and name H
	 ) 3.2 0.6 0.6 volume=176358519.125 peak=202 ppm1=7.738 ppm2=8.130

assign ( resid 79 and name H
	 )
       ( resid 77 and name HA
	 ) 4.0 0.8 0.8 volume=68067627.500 peak=203 ppm1=7.574 ppm2=4.391

assign ( resid 79 and name H
	 )
       ( resid 78 and name HA
	 ) 3.5 0.7 0.7 volume=146704684.875 peak=204 ppm1=7.575 ppm2=4.030

assign ( resid 79 and name H
	 )
       ( resid 79 and name HA
	 ) 3.1 0.6 0.6 volume=331205471.000 peak=205 ppm1=7.576 ppm2=3.854

assign ( resid 79 and name H
	 )
       ( resid 78 and name HB2
	 ) 3.2 0.6 0.6 volume=283452571.750 peak=206 ppm1=7.576 ppm2=2.114

assign ( resid 79 and name H
	 )
       ( resid 81 and name H
	 ) 4.1 0.8 0.8 volume=61318495.406 peak=208 ppm1=7.574 ppm2=7.992

assign ( resid 84 and name H
	 )
       ( resid 87 and name H
	 ) 3.3 0.7 0.7 volume=240085324.250 peak=210 ppm1=7.307 ppm2=8.222

assign ( resid 84 and name H
	 )
       ( resid 84 and name HA
	 ) 3.1 0.6 0.6 volume=323510739.000 peak=211 ppm1=7.307 ppm2=4.476

assign ( resid 84 and name H
	 )
       ( resid 87 and name HA
	 ) 3.8 0.8 0.8 volume=96403794.875 peak=212 ppm1=7.309 ppm2=4.208

assign ( resid 84 and name H
	 )
       ( resid 85 and name HD2
	 ) 4.0 0.8 0.8 volume=65549900.375 peak=213 ppm1=7.306 ppm2=3.809

assign ( resid 84 and name H
	 )
       ( resid 83 and name HD3
	 ) 3.5 0.7 0.7 volume=152602374.625 peak=214 ppm1=7.307 ppm2=3.666

assign ( resid 84 and name H
	 )
       ( resid 83 and name HD2
	 ) 3.7 0.7 0.7 volume=117946335.625 peak=215 ppm1=7.308 ppm2=3.429

assign ( resid 84 and name H
	 )
       ( resid 82 and name HB3
	 ) 4.2 0.8 0.8 volume=52815604.312 peak=216 ppm1=7.307 ppm2=3.118

assign ( resid 84 and name H
	 )
       ( resid 83 and name HB2
	 ) 3.6 0.7 0.7 volume=139316829.000 peak=217 ppm1=7.308 ppm2=1.965

assign ( resid 84 and name H
	 )
       ( resid 87 and name HB#
	 ) 2.4 0.5 0.5 volume=1526813712.000 peak=218 ppm1=7.307 ppm2=1.739

assign ( resid 84 and name H
	 )
       ( resid 88 and name HG2#
	 ) 3.4 0.7 0.7 volume=188917546.000 peak=219 ppm1=7.308 ppm2=1.315

assign ( resid 84 and name H
	 )
       ( resid 84 and name HG2#
	 ) 3.0 0.6 0.6 volume=409108834.500 peak=220 ppm1=7.307 ppm2=1.008

assign ( resid 87 and name H
	 )
       ( resid 86 and name H
	 or resid 88 and name H
	 or resid 89 and name H
	 ) 2.7 0.5 0.5 volume=683013413.250 peak=222 ppm1=8.216 ppm2=8.505

assign ( resid 87 and name H
	 )
       ( resid 86 and name HD2
	 ) 3.8 0.8 0.8 volume=95310025.875 peak=223 ppm1=8.216 ppm2=6.855

assign ( resid 87 and name H
	 )
       ( resid 87 and name HA
	 ) 2.9 0.6 0.6 volume=504191550.500 peak=224 ppm1=8.216 ppm2=4.204

assign ( resid 87 and name H
	 )
       ( resid 85 and name HA
	 ) 4.0 0.8 0.8 volume=72128365.047 peak=225 ppm1=8.214 ppm2=4.069

assign ( resid 87 and name H
	 )
       ( resid 86 and name HA
	 ) 3.4 0.7 0.7 volume=194585825.750 peak=226 ppm1=8.216 ppm2=3.931

assign ( resid 87 and name H
	 )
       ( resid 88 and name HA
	 ) 4.2 0.8 0.8 volume=48521122.438 peak=227 ppm1=8.215 ppm2=3.421

assign ( resid 87 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.9 0.6 0.6 volume=494900496.500 peak=228 ppm1=8.215 ppm2=2.872

assign ( resid 87 and name H
	 )
       ( resid 88 and name HB
	 ) 3.7 0.7 0.7 volume=118398629.250 peak=229 ppm1=8.219 ppm2=2.336

assign ( resid 87 and name H
	 )
       ( resid 87 and name HB#
	 ) 2.5 0.5 0.5 volume=1190479326.000 peak=230 ppm1=8.216 ppm2=1.740

assign ( resid 87 and name H
	 )
       ( resid 88 and name HG2#
	 ) 3.7 0.7 0.7 volume=119943953.750 peak=231 ppm1=8.215 ppm2=1.323

assign ( resid 44 and name H
	 )
       ( resid 52 and name HD1#
	 ) 3.4 0.7 0.7 volume=182791861.750 peak=232 ppm1=8.246 ppm2=0.998

assign ( resid 88 and name H
	 )
       ( resid 49 and name HE#
	 ) 3.7 0.7 0.7 volume=102643237.375 peak=233 ppm1=8.521 ppm2=7.011

assign ( resid 88 and name H
	 )
       ( resid 84 and name H
	 ) 3.5 0.7 0.7 volume=110560664.688 peak=234 ppm1=8.522 ppm2=7.312

assign ( resid 18 and name H
	 )
       ( resid 15 and name H
	 ) 3.6 0.7 0.7 volume=128747996.062 peak=235 ppm1=7.555 ppm2=8.784

assign ( resid 15 and name H
	 )
       ( resid 14 and name H
	 ) 3.7 0.7 0.7 volume=91104540.000 peak=236 ppm1=8.777 ppm2=7.362

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA
	 ) 3.0 0.6 0.6 volume=389401197.750 peak=237 ppm1=8.777 ppm2=4.400

assign ( resid 15 and name H
	 )
       ( resid 18 and name HA
	 ) 3.9 0.8 0.8 volume=82839990.125 peak=238 ppm1=8.777 ppm2=4.172

assign ( resid 15 and name H
	 )
       ( resid 19 and name HG3
	 ) 4.1 0.8 0.8 volume=58122697.125 peak=239 ppm1=8.775 ppm2=2.851

assign ( resid 15 and name H
	 )
       ( resid 18 and name HB2
	 ) 2.8 0.6 0.6 volume=619138781.500 peak=240 ppm1=8.777 ppm2=2.376

assign ( resid 15 and name H
	 )
       ( resid 18 and name HB3
	 ) 3.2 0.6 0.6 volume=285872943.500 peak=241 ppm1=8.777 ppm2=2.088

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HG
	 ) 3.3 0.7 0.7 volume=234548351.500 peak=242 ppm1=8.777 ppm2=1.909

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.9 0.6 0.6 volume=489119875.000 peak=243 ppm1=8.777 ppm2=1.734

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG2#
	 ) 2.6 0.5 0.5 volume=1021340710.000 peak=244 ppm1=8.777 ppm2=1.428

assign ( resid 15 and name H
	 )
       ( resid 14 and name HD1#
	 ) 3.0 0.6 0.6 volume=389399087.000 peak=245 ppm1=8.777 ppm2=0.868

assign ( resid 58 and name H
	 )
       ( resid 57 and name HB2
	 ) 2.8 0.6 0.6 volume=537570199.500 peak=246 ppm1=8.925 ppm2=2.047

assign ( resid 58 and name H
	 )
       ( resid 57 and name HB3
	 ) 2.9 0.6 0.6 volume=471938990.500 peak=247 ppm1=8.925 ppm2=1.752

assign ( resid 58 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.7 0.7 0.7 volume=105709569.367 peak=248 ppm1=8.925 ppm2=1.408

assign ( resid 58 and name H
	 )
       ( resid 58 and name HG2#
	 ) 2.7 0.5 0.5 volume=660502330.750 peak=249 ppm1=8.925 ppm2=1.241

assign ( resid 58 and name H
	 )
       ( resid 57 and name HD1#
	 ) 3.6 0.7 0.7 volume=136097026.750 peak=250 ppm1=8.925 ppm2=0.999

assign ( resid 58 and name H
	 )
       ( resid 57 and name HA
	 ) 3.4 0.7 0.7 volume=189155220.500 peak=251 ppm1=8.925 ppm2=4.475

assign ( resid 58 and name H
	 )
       ( resid 58 and name HA
	 ) 2.8 0.6 0.6 volume=649530882.500 peak=252 ppm1=8.925 ppm2=4.120

assign ( resid 58 and name H
	 )
       ( resid 59 and name HA
	 ) 4.3 0.9 0.9 volume=44497344.363 peak=253 ppm1=8.926 ppm2=3.861

assign ( resid 57 and name H
	 )
       ( resid 58 and name H
	 ) 2.6 0.5 0.5 volume=893167358.000 peak=254 ppm1=8.320 ppm2=8.930

assign ( resid 58 and name H
	 )
       ( resid 60 and name H
	 ) 3.9 0.8 0.8 volume=85525414.688 peak=256 ppm1=8.925 ppm2=7.226

assign ( resid 75 and name H
	 )
       ( resid 75 and name HA
	 ) 4.1 0.8 0.8 volume=61068331.094 peak=257 ppm1=8.979 ppm2=4.399

assign ( resid 75 and name H
	 )
       ( resid 75 and name HB3
	 ) 3.9 0.8 0.8 volume=85280273.047 peak=258 ppm1=8.981 ppm2=4.042

assign ( resid 75 and name H
	 )
       ( resid 75 and name HB2
	 ) 3.9 0.8 0.8 volume=85048338.875 peak=259 ppm1=8.982 ppm2=3.705

assign ( resid 75 and name H
	 )
       ( resid 74 and name HB3
	 ) 3.9 0.8 0.8 volume=84718783.000 peak=260 ppm1=8.981 ppm2=1.526

assign ( resid 75 and name H
	 )
       ( resid 74 and name HD1#
	 ) 4.1 0.8 0.8 volume=61337191.812 peak=261 ppm1=8.982 ppm2=0.920

assign ( resid 19 and name H
	 )
       ( resid 17 and name H
	 ) 4.4 0.9 0.9 volume=41443973.219 peak=263 ppm1=9.102 ppm2=8.181

assign ( resid 19 and name H
	 )
       ( resid 18 and name HA
	 ) 3.0 0.6 0.6 volume=422698497.500 peak=267 ppm1=9.103 ppm2=4.170

assign ( resid 19 and name H
	 )
       ( resid 17 and name HA
	 ) 4.4 0.9 0.9 volume=40226357.125 peak=268 ppm1=9.104 ppm2=3.982

assign ( resid 19 and name H
	 )
       ( resid 19 and name HA
	 ) 3.0 0.6 0.6 volume=406940651.500 peak=269 ppm1=9.103 ppm2=3.846

assign ( resid 19 and name H
	 )
       ( resid 19 and name HG3
	 ) 2.8 0.6 0.6 volume=590758046.500 peak=270 ppm1=9.103 ppm2=2.851

assign ( resid 19 and name H
	 )
       ( resid 19 and name HB3
	 ) 2.8 0.6 0.6 volume=652829907.000 peak=271 ppm1=9.103 ppm2=2.444

assign ( resid 19 and name H
	 )
       ( resid 19 and name HG2
	 ) 2.9 0.6 0.6 volume=445085224.500 peak=272 ppm1=9.103 ppm2=2.263

assign ( resid 19 and name H
	 )
       ( resid 18 and name HB3
	 ) 3.3 0.7 0.7 volume=216977483.000 peak=273 ppm1=9.103 ppm2=2.084

assign ( resid 19 and name H
	 )
       ( resid 14 and name HB2
	 or resid 14 and name HG
	 or resid 19 and name HB2
	 ) 2.8 0.6 0.6 volume=581150177.000 peak=274 ppm1=9.103 ppm2=1.903

assign ( resid 19 and name H
	 )
       ( resid 20 and name HG2
	 ) 3.2 0.6 0.6 volume=250837541.500 peak=275 ppm1=9.103 ppm2=1.743

assign ( resid 19 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.5 0.7 0.7 volume=156188309.750 peak=276 ppm1=9.102 ppm2=1.531

assign ( resid 19 and name H
	 )
       ( resid 14 and name HD2#
	 or resid 14 and name HD1#
	 or resid 22 and name HG1#
	 ) 3.3 0.7 0.7 volume=223351701.000 peak=277 ppm1=9.103 ppm2=0.875

assign ( resid 19 and name H
	 )
       ( resid 11 and name HD2#
	 ) 3.2 0.6 0.6 volume=261686591.500 peak=278 ppm1=9.103 ppm2=0.791

assign ( resid 29 and name H
	 )
       ( resid 29 and name HA
	 ) 2.7 0.5 0.5 volume=736839727.000 peak=279 ppm1=9.235 ppm2=4.353

assign ( resid 29 and name H
	 )
       ( resid 28 and name HA
	 ) 3.1 0.6 0.6 volume=341212520.000 peak=280 ppm1=9.236 ppm2=3.985

assign ( resid 29 and name H
	 )
       ( resid 27 and name HA
	 ) 4.4 0.9 0.9 volume=41012220.494 peak=281 ppm1=9.234 ppm2=3.440

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB3
	 ) 2.7 0.5 0.5 volume=802301254.000 peak=282 ppm1=9.235 ppm2=2.957

assign ( resid 29 and name H
	 )
       ( resid 30 and name HG3
	 ) 4.8 1.0 1.0 volume=24117372.375 peak=283 ppm1=9.236 ppm2=2.803

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB2
	 ) 2.8 0.6 0.6 volume=536257535.000 peak=284 ppm1=9.235 ppm2=2.604

assign ( resid 29 and name H
	 )
       ( resid 28 and name HB2
	 ) 2.9 0.6 0.6 volume=519467193.500 peak=285 ppm1=9.236 ppm2=1.973

assign ( resid 29 and name H
	 )
       ( resid 28 and name HG
	 ) 3.5 0.7 0.7 volume=162570635.250 peak=286 ppm1=9.236 ppm2=1.796

assign ( resid 29 and name H
	 )
       ( resid 28 and name HB3
	 ) 3.0 0.6 0.6 volume=419901135.000 peak=287 ppm1=9.236 ppm2=1.569

assign ( resid 29 and name H
	 )
       ( resid 40 and name HG2#
	 ) 3.4 0.7 0.7 volume=172764330.750 peak=288 ppm1=9.236 ppm2=1.283

assign ( resid 29 and name H
	 )
       ( resid 27 and name HG1#
	 ) 4.0 0.8 0.8 volume=68005555.750 peak=289 ppm1=9.234 ppm2=1.118

assign ( resid 29 and name H
	 )
       ( resid 28 and name HD1#
	 ) 3.4 0.7 0.7 volume=190419908.000 peak=290 ppm1=9.235 ppm2=0.889

assign ( resid 29 and name H
	 )
       ( resid 28 and name HD2#
	 ) 3.6 0.7 0.7 volume=122409568.688 peak=291 ppm1=9.236 ppm2=0.778

assign ( resid 31 and name H
	 )
       ( resid 32 and name H
	 ) 3.0 0.6 0.6 volume=392482643.750 peak=295 ppm1=8.861 ppm2=8.734

assign ( resid 31 and name H
	 )
       ( resid 54 and name HZ
	 ) 4.0 0.8 0.8 volume=65309140.203 peak=297 ppm1=8.859 ppm2=7.346

assign ( resid 31 and name H
	 )
       ( resid 29 and name HA
	 ) 4.3 0.9 0.9 volume=43614617.781 peak=298 ppm1=8.862 ppm2=4.346

assign ( resid 31 and name H
	 )
       ( resid 31 and name HA
	 ) 2.8 0.6 0.6 volume=544837657.250 peak=299 ppm1=8.860 ppm2=4.175

assign ( resid 31 and name H
	 )
       ( resid 28 and name HA
	 ) 3.3 0.7 0.7 volume=226415685.000 peak=300 ppm1=8.860 ppm2=3.995

assign ( resid 31 and name H
	 )
       ( resid 27 and name HA
	 ) 3.9 0.8 0.8 volume=86091147.312 peak=301 ppm1=8.859 ppm2=3.438

assign ( resid 31 and name H
	 )
       ( resid 30 and name HG3
	 ) 3.8 0.8 0.8 volume=90278757.844 peak=302 ppm1=8.860 ppm2=2.804

assign ( resid 31 and name H
	 )
       ( resid 30 and name HB2
	 ) 2.9 0.6 0.6 volume=507883484.000 peak=303 ppm1=8.860 ppm2=2.026

assign ( resid 31 and name H
	 )
       ( resid 66 and name HG
	 ) 5.4 1.1 1.1 volume=11821887.812 peak=304 ppm1=8.863 ppm2=1.836

assign ( resid 31 and name H
	 )
       ( resid 31 and name HB#
	 ) 2.5 0.5 0.5 volume=1250558609.000 peak=305 ppm1=8.860 ppm2=1.674

assign ( resid 31 and name H
	 )
       ( resid 28 and name HB3
	 or resid 32 and name HB#
	 ) 3.7 0.7 0.7 volume=105293106.062 peak=306 ppm1=8.860 ppm2=1.523

assign ( resid 31 and name H
	 )
       ( resid 40 and name HG2#
	 ) 4.2 0.8 0.8 volume=49304700.406 peak=307 ppm1=8.863 ppm2=1.290

assign ( resid 31 and name H
	 )
       ( resid 27 and name HG1#
	 ) 3.9 0.8 0.8 volume=79651769.312 peak=308 ppm1=8.860 ppm2=1.140

assign ( resid 31 and name H
	 )
       ( resid 62 and name HD1#
	 ) 2.9 0.6 0.6 volume=438758053.000 peak=309 ppm1=8.860 ppm2=0.886

assign ( resid 31 and name H
	 )
       ( resid 26 and name HD2#
	 or resid 28 and name HD2#
	 or resid 66 and name HD2#
	 ) 3.6 0.7 0.7 volume=134776784.500 peak=310 ppm1=8.861 ppm2=0.771

assign ( resid 31 and name H
	 )
       ( resid 62 and name HD2#
	 ) 3.9 0.8 0.8 volume=78509706.750 peak=311 ppm1=8.860 ppm2=0.240

assign ( resid 73 and name H
	 )
       ( resid 74 and name H
	 ) 3.9 0.8 0.8 volume=74809883.750 peak=312 ppm1=8.459 ppm2=9.177

assign ( resid 74 and name H
	 )
       ( resid 67 and name HG3
	 ) 3.5 0.7 0.7 volume=149881230.000 peak=313 ppm1=9.174 ppm2=2.858

assign ( resid 74 and name H
	 )
       ( resid 67 and name HG2
	 ) 3.1 0.6 0.6 volume=325910930.500 peak=314 ppm1=9.174 ppm2=2.621

assign ( resid 74 and name H
	 )
       ( resid 67 and name HB3
	 ) 4.0 0.8 0.8 volume=66394332.000 peak=315 ppm1=9.175 ppm2=2.280

assign ( resid 74 and name H
	 )
       ( resid 66 and name HB3
	 ) 4.3 0.9 0.9 volume=46292043.406 peak=316 ppm1=9.175 ppm2=2.025

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB3
	 ) 2.5 0.5 0.5 volume=1062670741.000 peak=317 ppm1=9.174 ppm2=1.529

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB2
	 ) 4.1 0.8 0.8 volume=59640211.188 peak=318 ppm1=9.176 ppm2=1.364

assign ( resid 74 and name H
	 )
       ( resid 74 and name HD1#
	 ) 3.4 0.7 0.7 volume=193607833.750 peak=319 ppm1=9.174 ppm2=0.919

assign ( resid 74 and name H
	 )
       ( resid 74 and name HD2#
	 ) 3.2 0.6 0.6 volume=265831953.500 peak=320 ppm1=9.174 ppm2=0.808

assign ( resid 73 and name H
	 )
       ( resid 72 and name HA
	 ) 2.6 0.5 0.5 volume=980608100.000 peak=322 ppm1=8.461 ppm2=4.445

assign ( resid 73 and name H
	 )
       ( resid 73 and name HB2
	 ) 2.7 0.5 0.5 volume=673160504.000 peak=323 ppm1=8.460 ppm2=2.705

assign ( resid 73 and name H
	 )
       ( resid 72 and name HD2#
	 ) 2.9 0.6 0.6 volume=491650723.000 peak=324 ppm1=8.464 ppm2=0.841

assign ( resid 73 and name H
	 )
       ( resid 72 and name HB2
	 ) 3.1 0.6 0.6 volume=327422170.250 peak=325 ppm1=8.461 ppm2=1.230

assign ( resid 59 and name H
	 )
       ( resid 57 and name H
	 ) 3.4 0.7 0.7 volume=176543241.875 peak=326 ppm1=9.005 ppm2=8.323

assign ( resid 59 and name H
	 )
       ( resid 61 and name H
	 ) 3.8 0.8 0.8 volume=87359238.062 peak=328 ppm1=9.006 ppm2=7.644

assign ( resid 59 and name H
	 )
       ( resid 54 and name HD#
	 ) 3.7 0.7 0.7 volume=114829351.375 peak=329 ppm1=9.006 ppm2=7.390

assign ( resid 59 and name H
	 )
       ( resid 57 and name HA
	 ) 4.1 0.8 0.8 volume=60879635.195 peak=331 ppm1=9.005 ppm2=4.477

assign ( resid 59 and name H
	 )
       ( resid 58 and name HA
	 ) 3.0 0.6 0.6 volume=382867033.750 peak=332 ppm1=9.006 ppm2=4.121

assign ( resid 59 and name H
	 )
       ( resid 59 and name HA
	 ) 2.9 0.6 0.6 volume=513115147.500 peak=333 ppm1=9.006 ppm2=3.860

assign ( resid 66 and name H
	 )
       ( resid 67 and name H
	 ) 3.0 0.6 0.6 volume=364335917.125 peak=335 ppm1=8.734 ppm2=8.882

assign ( resid 69 and name H
	 )
       ( resid 67 and name H
	 ) 4.1 0.8 0.8 volume=56937188.938 peak=336 ppm1=7.980 ppm2=8.881

assign ( resid 67 and name H
	 )
       ( resid 68 and name H
	 ) 2.9 0.6 0.6 volume=427220888.500 peak=337 ppm1=8.878 ppm2=8.263

assign ( resid 78 and name H
	 )
       ( resid 77 and name H
	 ) 2.8 0.6 0.6 volume=628827597.000 peak=338 ppm1=7.324 ppm2=7.844

assign ( resid 79 and name H
	 )
       ( resid 78 and name H
	 ) 3.4 0.7 0.7 volume=190897742.750 peak=339 ppm1=7.576 ppm2=7.329

assign ( resid 78 and name H
	 )
       ( resid 82 and name HD2
	 ) 4.1 0.8 0.8 volume=55624098.875 peak=340 ppm1=7.326 ppm2=6.682

assign ( resid 78 and name H
	 )
       ( resid 77 and name HA
	 ) 3.1 0.6 0.6 volume=351576388.375 peak=341 ppm1=7.324 ppm2=4.392

assign ( resid 78 and name H
	 )
       ( resid 78 and name HA
	 ) 2.6 0.5 0.5 volume=867780379.000 peak=342 ppm1=7.324 ppm2=4.030

assign ( resid 78 and name H
	 )
       ( resid 75 and name HB2
	 ) 3.3 0.7 0.7 volume=222450460.375 peak=343 ppm1=7.324 ppm2=3.702

assign ( resid 78 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.3 0.7 0.7 volume=202756957.625 peak=344 ppm1=7.324 ppm2=1.382

assign ( resid 78 and name H
	 )
       ( resid 77 and name HG2#
	 ) 3.6 0.7 0.7 volume=132419118.500 peak=345 ppm1=7.324 ppm2=1.131

assign ( resid 78 and name H
	 )
       ( resid 78 and name HD2#
	 ) 3.2 0.6 0.6 volume=270263073.750 peak=346 ppm1=7.324 ppm2=1.039

assign ( resid 78 and name H
	 )
       ( resid 78 and name HD1#
	 ) 3.2 0.6 0.6 volume=253834023.250 peak=347 ppm1=7.324 ppm2=0.811

assign ( resid 78 and name H
	 )
       ( resid 78 and name HB2
	 ) 2.6 0.5 0.5 volume=913503614.000 peak=348 ppm1=7.324 ppm2=2.115

assign ( resid 12 and name H
	 )
       ( resid 11 and name H
	 ) 2.7 0.5 0.5 volume=769616276.000 peak=349 ppm1=7.316 ppm2=7.581

assign ( resid 10 and name H
	 )
       ( resid 11 and name H
	 ) 3.0 0.6 0.6 volume=342187505.438 peak=350 ppm1=7.697 ppm2=7.577

assign ( resid 90 and name H
	 )
       ( resid 90 and name HA
	 ) 2.8 0.6 0.6 volume=589609113.000 peak=351 ppm1=7.804 ppm2=3.877

assign ( resid 90 and name H
	 )
       ( resid 87 and name HA
	 ) 3.1 0.6 0.6 volume=297741970.500 peak=352 ppm1=7.804 ppm2=4.209

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 3.0 0.6 0.6 volume=378241252.000 peak=353 ppm1=7.858 ppm2=4.278

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB2
	 ) 3.1 0.6 0.6 volume=344122433.250 peak=354 ppm1=7.858 ppm2=3.994

assign ( resid 93 and name H
	 )
       ( resid 94 and name HA
	 ) 4.2 0.8 0.8 volume=50059606.500 peak=355 ppm1=7.631 ppm2=4.080

assign ( resid 93 and name H
	 )
       ( resid 93 and name HA
	 ) 2.8 0.6 0.6 volume=620322957.000 peak=356 ppm1=7.632 ppm2=3.885

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.9 0.6 0.6 volume=499599572.000 peak=357 ppm1=7.573 ppm2=4.330

assign ( resid 11 and name H
	 )
       ( resid 10 and name HA
	 ) 3.1 0.6 0.6 volume=339778688.000 peak=358 ppm1=7.574 ppm2=4.237

assign ( resid 11 and name H
	 )
       ( resid 8 and name HA
	 ) 3.4 0.7 0.7 volume=197200105.000 peak=359 ppm1=7.573 ppm2=3.718

assign ( resid 92 and name H
	 )
       ( resid 93 and name H
	 ) 2.8 0.6 0.6 volume=358947413.875 peak=360 ppm1=8.407 ppm2=7.652

assign ( resid 90 and name H
	 )
       ( resid 89 and name H
	 ) 2.9 0.6 0.6 volume=458817267.000 peak=362 ppm1=7.804 ppm2=8.519

assign ( resid 24 and name H
	 )
       ( resid 23 and name H
	 ) 2.8 0.6 0.6 volume=539709637.500 peak=364 ppm1=8.532 ppm2=8.010

assign ( resid 64 and name H
	 )
       ( resid 63 and name H
	 ) 2.9 0.6 0.6 volume=445480585.000 peak=365 ppm1=8.739 ppm2=7.633

assign ( resid 64 and name H
	 )
       ( resid 63 and name HE
	 ) 3.5 0.7 0.7 volume=150456712.375 peak=366 ppm1=8.739 ppm2=7.060

assign ( resid 64 and name H
	 )
       ( resid 64 and name HA
	 ) 2.9 0.6 0.6 volume=452230859.250 peak=367 ppm1=8.740 ppm2=4.390

assign ( resid 64 and name H
	 )
       ( resid 60 and name HA
	 ) 3.0 0.6 0.6 volume=403543348.000 peak=368 ppm1=8.739 ppm2=4.162

assign ( resid 64 and name H
	 )
       ( resid 63 and name HA
	 ) 3.4 0.7 0.7 volume=176807869.000 peak=369 ppm1=8.740 ppm2=3.635

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB3
	 ) 2.7 0.5 0.5 volume=762440283.000 peak=370 ppm1=8.739 ppm2=2.952

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB2
	 ) 2.9 0.6 0.6 volume=478777540.000 peak=371 ppm1=8.740 ppm2=2.744

assign ( resid 64 and name H
	 )
       ( resid 63 and name HB2
	 ) 2.9 0.6 0.6 volume=458535381.250 peak=372 ppm1=8.740 ppm2=2.292

assign ( resid 64 and name H
	 )
       ( resid 63 and name HB3
	 ) 3.0 0.6 0.6 volume=415285808.250 peak=373 ppm1=8.740 ppm2=2.033

assign ( resid 64 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.6 0.7 0.7 volume=130000140.500 peak=374 ppm1=8.740 ppm2=3.235

assign ( resid 64 and name H
	 )
       ( resid 34 and name HG2#
	 or resid 60 and name HD2#
	 or resid 66 and name HD1#
	 ) 3.9 0.8 0.8 volume=84827806.125 peak=375 ppm1=8.739 ppm2=1.032

assign ( resid 64 and name H
	 )
       ( resid 66 and name HD2#
	 ) 3.9 0.8 0.8 volume=81418909.875 peak=376 ppm1=8.739 ppm2=0.826

assign ( resid 64 and name H
	 )
       ( resid 62 and name HB2
	 ) 4.1 0.8 0.8 volume=62486905.750 peak=377 ppm1=8.738 ppm2=1.792

assign ( resid 18 and name H
	 )
       ( resid 19 and name H
	 ) 2.9 0.6 0.6 volume=475294725.375 peak=379 ppm1=7.554 ppm2=9.109

assign ( resid 18 and name H
	 )
       ( resid 18 and name HA
	 ) 2.7 0.5 0.5 volume=775000262.000 peak=382 ppm1=7.554 ppm2=4.149

assign ( resid 18 and name H
	 )
       ( resid 17 and name HA
	 ) 3.5 0.7 0.7 volume=157807663.375 peak=383 ppm1=7.554 ppm2=3.977

assign ( resid 18 and name H
	 )
       ( resid 19 and name HG3
	 ) 4.0 0.8 0.8 volume=72849228.250 peak=384 ppm1=7.556 ppm2=2.853

assign ( resid 18 and name H
	 )
       ( resid 18 and name HB2
	 ) 2.5 0.5 0.5 volume=1164222549.000 peak=385 ppm1=7.554 ppm2=2.363

assign ( resid 18 and name H
	 )
       ( resid 20 and name HG2
	 ) 3.5 0.7 0.7 volume=142996927.000 peak=386 ppm1=7.556 ppm2=1.740

assign ( resid 18 and name H
	 )
       ( resid 18 and name HB3
	 ) 3.0 0.6 0.6 volume=400826695.500 peak=387 ppm1=7.554 ppm2=2.088

assign ( resid 18 and name H
	 )
       ( resid 14 and name HB2
	 or resid 19 and name HB2
	 or resid 20 and name HB2
	 ) 3.7 0.7 0.7 volume=116764496.500 peak=388 ppm1=7.555 ppm2=1.908

assign ( resid 18 and name H
	 )
       ( resid 21 and name HB#
	 ) 3.7 0.7 0.7 volume=103874650.688 peak=389 ppm1=7.555 ppm2=1.558

assign ( resid 18 and name H
	 )
       ( resid 14 and name HD1#
	 ) 3.7 0.7 0.7 volume=107908594.000 peak=390 ppm1=7.555 ppm2=0.874

assign ( resid 18 and name H
	 )
       ( resid 15 and name HG2#
	 ) 3.6 0.7 0.7 volume=123510696.500 peak=391 ppm1=7.556 ppm2=1.439

assign ( resid 18 and name H
	 )
       ( resid 17 and name HG2#
	 ) 3.4 0.7 0.7 volume=198584714.750 peak=392 ppm1=7.554 ppm2=1.308

assign ( resid 19 and name H
	 )
       ( resid 20 and name H
	 ) 3.0 0.6 0.6 volume=381063793.750 peak=393 ppm1=9.103 ppm2=7.945

assign ( resid 20 and name H
	 )
       ( resid 22 and name H
	 ) 4.3 0.9 0.9 volume=47382245.754 peak=394 ppm1=7.940 ppm2=8.492

assign ( resid 20 and name H
	 )
       ( resid 20 and name HA
	 ) 2.8 0.6 0.6 volume=592599823.000 peak=395 ppm1=7.940 ppm2=3.888

assign ( resid 20 and name H
	 )
       ( resid 18 and name HA
	 ) 3.1 0.6 0.6 volume=310193991.250 peak=396 ppm1=7.936 ppm2=4.161

assign ( resid 20 and name H
	 )
       ( resid 20 and name HB2
	 ) 2.5 0.5 0.5 volume=1226693358.000 peak=397 ppm1=7.940 ppm2=1.910

assign ( resid 20 and name H
	 )
       ( resid 20 and name HG3
	 ) 3.1 0.6 0.6 volume=314080629.500 peak=398 ppm1=7.940 ppm2=1.536

assign ( resid 20 and name H
	 )
       ( resid 19 and name HB3
	 ) 3.0 0.6 0.6 volume=377667743.750 peak=399 ppm1=7.940 ppm2=2.461

assign ( resid 20 and name H
	 )
       ( resid 11 and name HD2#
	 or resid 93 and name HD2#
	 ) 3.2 0.6 0.6 volume=281914974.750 peak=400 ppm1=7.940 ppm2=0.799

assign ( resid 61 and name H
	 )
       ( resid 60 and name H
	 ) 2.7 0.5 0.5 volume=707193907.500 peak=401 ppm1=7.640 ppm2=7.221

assign ( resid 62 and name H
	 )
       ( resid 60 and name H
	 ) 3.3 0.7 0.7 volume=66871601.062 peak=403 ppm1=8.431 ppm2=7.217

assign ( resid 60 and name H
	 )
       ( resid 59 and name H
	 ) 2.8 0.6 0.6 volume=534127978.000 peak=404 ppm1=7.217 ppm2=9.007

assign ( resid 63 and name H
	 )
       ( resid 63 and name HA
	 ) 2.9 0.6 0.6 volume=432086215.500 peak=406 ppm1=7.630 ppm2=3.636

assign ( resid 63 and name H
	 )
       ( resid 59 and name HA
	 ) 3.7 0.7 0.7 volume=109317092.000 peak=407 ppm1=7.637 ppm2=3.866

assign ( resid 63 and name H
	 )
       ( resid 65 and name HB3
	 ) 4.0 0.8 0.8 volume=72331788.500 peak=408 ppm1=7.631 ppm2=3.244

assign ( resid 63 and name H
	 )
       ( resid 64 and name HB3
	 ) 3.8 0.8 0.8 volume=95628695.438 peak=409 ppm1=7.632 ppm2=2.983

assign ( resid 60 and name H
	 )
       ( resid 57 and name HA
	 ) 3.4 0.7 0.7 volume=178492953.562 peak=410 ppm1=7.218 ppm2=4.477

assign ( resid 60 and name H
	 )
       ( resid 60 and name HA
	 ) 2.7 0.5 0.5 volume=691183430.000 peak=411 ppm1=7.217 ppm2=4.147

assign ( resid 60 and name H
	 )
       ( resid 59 and name HA
	 ) 3.5 0.7 0.7 volume=157583561.188 peak=412 ppm1=7.218 ppm2=3.862

assign ( resid 60 and name H
	 )
       ( resid 61 and name HG3
	 ) 4.0 0.8 0.8 volume=73605707.031 peak=413 ppm1=7.218 ppm2=2.188

assign ( resid 60 and name H
	 )
       ( resid 60 and name HB3
	 ) 2.3 0.5 0.5 volume=1687168478.000 peak=415 ppm1=7.218 ppm2=1.927

assign ( resid 60 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.8 0.6 0.6 volume=647161033.000 peak=416 ppm1=7.218 ppm2=1.406

assign ( resid 60 and name H
	 )
       ( resid 58 and name HG2#
	 ) 4.7 0.9 0.9 volume=25390810.250 peak=417 ppm1=7.217 ppm2=1.255

assign ( resid 60 and name H
	 )
       ( resid 60 and name HD1#
	 ) 3.1 0.6 0.6 volume=298950894.500 peak=418 ppm1=7.218 ppm2=1.027

assign ( resid 95 and name H
	 )
       ( resid 96 and name H
	 ) 2.7 0.5 0.5 volume=577575524.000 peak=419 ppm1=7.441 ppm2=7.284

assign ( resid 96 and name H
	 )
       ( resid 96 and name HA
	 ) 2.9 0.6 0.6 volume=439271117.000 peak=420 ppm1=7.281 ppm2=4.324

assign ( resid 96 and name H
	 )
       ( resid 95 and name HA
	 ) 3.2 0.6 0.6 volume=246384000.000 peak=421 ppm1=7.280 ppm2=4.190

assign ( resid 96 and name H
	 )
       ( resid 94 and name HA
	 ) 3.8 0.8 0.8 volume=92803520.422 peak=422 ppm1=7.282 ppm2=4.070

assign ( resid 96 and name H
	 )
       ( resid 93 and name HA
	 ) 3.1 0.6 0.6 volume=318598133.500 peak=423 ppm1=7.281 ppm2=3.900

assign ( resid 96 and name H
	 )
       ( resid 97 and name HD3
	 ) 3.6 0.7 0.7 volume=124854863.375 peak=424 ppm1=7.281 ppm2=3.664

assign ( resid 96 and name H
	 )
       ( resid 95 and name HB3
	 ) 3.3 0.7 0.7 volume=215340566.750 peak=425 ppm1=7.281 ppm2=2.259

assign ( resid 96 and name H
	 )
       ( resid 94 and name HB2
	 ) 4.5 0.9 0.9 volume=36348300.500 peak=426 ppm1=7.281 ppm2=2.088

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB
	 ) 2.5 0.5 0.5 volume=1278128860.000 peak=427 ppm1=7.280 ppm2=1.915

assign ( resid 96 and name H
	 )
       ( resid 96 and name HG13
	 ) 2.8 0.6 0.6 volume=534860147.000 peak=428 ppm1=7.281 ppm2=1.663

assign ( resid 96 and name H
	 )
       ( resid 96 and name HG12
	 ) 2.9 0.6 0.6 volume=488597137.500 peak=429 ppm1=7.281 ppm2=1.219

assign ( resid 96 and name H
	 )
       ( resid 96 and name HG2#
	 ) 2.9 0.6 0.6 volume=440452057.500 peak=430 ppm1=7.281 ppm2=0.898

assign ( resid 96 and name H
	 )
       ( resid 96 and name HD1#
	 ) 3.0 0.6 0.6 volume=389029981.000 peak=431 ppm1=7.281 ppm2=0.760

assign ( resid 19 and name HE21
	 )
       ( resid 14 and name H
	 ) 3.7 0.7 0.7 volume=112239810.094 peak=432 ppm1=7.114 ppm2=7.362

assign ( resid 19 and name HE22
	 )
       ( resid 14 and name H
	 ) 3.8 0.8 0.8 volume=89184058.125 peak=433 ppm1=6.747 ppm2=7.365

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 2.9 0.6 0.6 volume=498204443.500 peak=434 ppm1=7.356 ppm2=4.744

assign ( resid 14 and name H
	 )
       ( resid 11 and name HA
	 ) 3.7 0.7 0.7 volume=114527049.250 peak=435 ppm1=7.350 ppm2=4.341

assign ( resid 14 and name H
	 )
       ( resid 13 and name HA2
	 ) 2.9 0.6 0.6 volume=433936935.500 peak=436 ppm1=7.355 ppm2=4.102

assign ( resid 14 and name H
	 )
       ( resid 13 and name HA3
	 ) 3.1 0.6 0.6 volume=308707329.250 peak=437 ppm1=7.355 ppm2=3.843

assign ( resid 14 and name H
	 )
       ( resid 19 and name HG3
	 ) 3.7 0.7 0.7 volume=115005909.125 peak=438 ppm1=7.356 ppm2=2.852

assign ( resid 14 and name H
	 )
       ( resid 18 and name HB2
	 ) 3.9 0.8 0.8 volume=76702198.062 peak=439 ppm1=7.357 ppm2=2.383

assign ( resid 14 and name H
	 )
       ( resid 19 and name HG2
	 ) 3.6 0.7 0.7 volume=120650047.250 peak=440 ppm1=7.355 ppm2=2.261

assign ( resid 14 and name H
	 )
       ( resid 18 and name HB3
	 ) 4.4 0.9 0.9 volume=40369891.719 peak=441 ppm1=7.357 ppm2=2.090

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 2.5 0.5 0.5 volume=1071459856.000 peak=442 ppm1=7.355 ppm2=1.702

assign ( resid 14 and name H
	 )
       ( resid 11 and name HB3
	 or resid 12 and name HB#
	 or resid 15 and name HG2#
	 ) 3.5 0.7 0.7 volume=149791472.375 peak=443 ppm1=7.355 ppm2=1.453

assign ( resid 14 and name H
	 )
       ( resid 14 and name HD1#
	 ) 2.8 0.6 0.6 volume=608172078.000 peak=444 ppm1=7.355 ppm2=0.879

assign ( resid 47 and name H
	 )
       ( resid 47 and name HB2
	 ) 3.1 0.6 0.6 volume=340432350.000 peak=445 ppm1=7.481 ppm2=2.047

assign ( resid 47 and name H
	 )
       ( resid 47 and name HB3
	 ) 2.9 0.6 0.6 volume=431619389.500 peak=446 ppm1=7.481 ppm2=1.937

assign ( resid 47 and name H
	 )
       ( resid 52 and name HD1#
	 ) 4.0 0.8 0.8 volume=73228251.812 peak=447 ppm1=7.480 ppm2=1.003

assign ( resid 47 and name H
	 )
       ( resid 52 and name HD2#
	 ) 4.3 0.9 0.9 volume=42347754.891 peak=448 ppm1=7.481 ppm2=0.768

assign ( resid 47 and name H
	 )
       ( resid 46 and name HB3
	 ) 4.1 0.8 0.8 volume=64000696.945 peak=449 ppm1=7.480 ppm2=3.274

assign ( resid 47 and name H
	 )
       ( resid 46 and name HB2
	 ) 3.9 0.8 0.8 volume=79680983.875 peak=450 ppm1=7.482 ppm2=2.942

assign ( resid 47 and name H
	 )
       ( resid 44 and name HB2
	 ) 3.8 0.8 0.8 volume=92264523.750 peak=451 ppm1=7.481 ppm2=2.775

assign ( resid 47 and name H
	 )
       ( resid 44 and name HB3
	 ) 4.3 0.9 0.9 volume=48145663.312 peak=452 ppm1=7.480 ppm2=2.634

assign ( resid 47 and name H
	 )
       ( resid 47 and name HG3
	 ) 3.6 0.7 0.7 volume=135088665.750 peak=453 ppm1=7.481 ppm2=2.369

assign ( resid 47 and name H
	 )
       ( resid 46 and name HA
	 ) 3.3 0.7 0.7 volume=223837375.750 peak=454 ppm1=7.481 ppm2=4.628

assign ( resid 47 and name H
	 )
       ( resid 47 and name HA
	 ) 3.1 0.6 0.6 volume=312678703.750 peak=455 ppm1=7.481 ppm2=4.325

assign ( resid 47 and name H
	 )
       ( resid 45 and name HA
	 ) 4.2 0.8 0.8 volume=53345479.062 peak=456 ppm1=7.480 ppm2=3.879

assign ( resid 48 and name H
	 )
       ( resid 47 and name H
	 ) 3.6 0.7 0.7 volume=80839448.250 peak=457 ppm1=8.810 ppm2=7.487

assign ( resid 47 and name H
	 )
       ( resid 46 and name H
	 ) 3.3 0.7 0.7 volume=216644005.750 peak=458 ppm1=7.481 ppm2=8.453

assign ( resid 21 and name H
	 )
       ( resid 19 and name H
	 ) 4.0 0.8 0.8 volume=70478598.805 peak=459 ppm1=7.682 ppm2=9.111

assign ( resid 21 and name H
	 )
       ( resid 20 and name H
	 ) 2.8 0.6 0.6 volume=427454283.750 peak=461 ppm1=7.683 ppm2=7.945

assign ( resid 21 and name H
	 )
       ( resid 21 and name HA
	 ) 2.7 0.5 0.5 volume=732534229.500 peak=462 ppm1=7.683 ppm2=4.126

assign ( resid 21 and name H
	 )
       ( resid 20 and name HA
	 ) 3.3 0.7 0.7 volume=230168829.750 peak=463 ppm1=7.683 ppm2=3.888

assign ( resid 21 and name H
	 )
       ( resid 22 and name HA
	 ) 4.4 0.9 0.9 volume=40304642.750 peak=464 ppm1=7.683 ppm2=3.721

assign ( resid 21 and name H
	 )
       ( resid 18 and name HB2
	 ) 4.2 0.8 0.8 volume=52872923.188 peak=465 ppm1=7.681 ppm2=2.352

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB#
	 ) 2.4 0.5 0.5 volume=1575253255.000 peak=466 ppm1=7.683 ppm2=1.583

assign ( resid 21 and name H
	 )
       ( resid 17 and name HG2#
	 ) 4.2 0.8 0.8 volume=55041219.344 peak=467 ppm1=7.685 ppm2=1.311

assign ( resid 21 and name H
	 )
       ( resid 22 and name HG2#
	 ) 3.7 0.7 0.7 volume=108097634.312 peak=468 ppm1=7.683 ppm2=1.088

assign ( resid 21 and name H
	 )
       ( resid 22 and name HG1#
	 ) 3.7 0.7 0.7 volume=108339986.000 peak=469 ppm1=7.683 ppm2=0.832

assign ( resid 43 and name H
	 )
       ( resid 43 and name HA
	 ) 2.5 0.5 0.5 volume=1054466413.000 peak=470 ppm1=7.849 ppm2=4.486

assign ( resid 43 and name H
	 )
       ( resid 40 and name HA
	 or resid 41 and name HA
	 ) 3.4 0.7 0.7 volume=182029527.250 peak=471 ppm1=7.849 ppm2=4.208

assign ( resid 43 and name H
	 )
       ( resid 41 and name HB2
	 ) 4.3 0.9 0.9 volume=44149129.844 peak=472 ppm1=7.850 ppm2=2.017

assign ( resid 43 and name H
	 )
       ( resid 43 and name HG
	 ) 2.9 0.6 0.6 volume=503769395.500 peak=473 ppm1=7.849 ppm2=1.648

assign ( resid 43 and name H
	 )
       ( resid 43 and name HB3
	 ) 3.0 0.6 0.6 volume=358782450.500 peak=474 ppm1=7.849 ppm2=1.439

assign ( resid 43 and name H
	 )
       ( resid 43 and name HD2#
	 ) 3.2 0.6 0.6 volume=281117231.500 peak=475 ppm1=7.849 ppm2=0.868

assign ( resid 51 and name H
	 )
       ( resid 53 and name H
	 ) 4.0 0.8 0.8 volume=72894293.875 peak=477 ppm1=8.009 ppm2=7.750

assign ( resid 51 and name H
	 )
       ( resid 51 and name HA
	 ) 2.9 0.6 0.6 volume=483106017.500 peak=479 ppm1=8.009 ppm2=4.544

assign ( resid 51 and name H
	 )
       ( resid 50 and name HA
	 ) 3.0 0.6 0.6 volume=360014379.000 peak=480 ppm1=8.009 ppm2=4.328

assign ( resid 51 and name H
	 )
       ( resid 48 and name HB3
	 ) 3.6 0.7 0.7 volume=123198527.125 peak=481 ppm1=8.011 ppm2=4.037

assign ( resid 51 and name H
	 )
       ( resid 51 and name HB2
	 ) 2.7 0.5 0.5 volume=664949184.000 peak=482 ppm1=8.009 ppm2=2.982

assign ( resid 51 and name H
	 )
       ( resid 51 and name HB3
	 ) 2.9 0.6 0.6 volume=473386600.750 peak=483 ppm1=8.009 ppm2=2.835

assign ( resid 51 and name H
	 )
       ( resid 49 and name HB2
	 ) 4.3 0.9 0.9 volume=47424358.750 peak=484 ppm1=8.010 ppm2=2.685

assign ( resid 51 and name H
	 )
       ( resid 47 and name HG2
	 ) 3.8 0.8 0.8 volume=101193114.875 peak=485 ppm1=8.010 ppm2=2.312

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB2
	 ) 2.8 0.6 0.6 volume=606823542.000 peak=486 ppm1=8.009 ppm2=1.876

assign ( resid 51 and name H
	 )
       ( resid 50 and name HG2
	 ) 3.9 0.8 0.8 volume=86420250.750 peak=487 ppm1=8.007 ppm2=1.618

assign ( resid 51 and name H
	 )
       ( resid 50 and name HG3
	 ) 4.0 0.8 0.8 volume=73693606.500 peak=488 ppm1=8.010 ppm2=1.508

assign ( resid 51 and name H
	 )
       ( resid 52 and name HD1#
	 ) 4.0 0.8 0.8 volume=67652940.625 peak=489 ppm1=8.010 ppm2=1.005

assign ( resid 51 and name H
	 )
       ( resid 52 and name HD2#
	 ) 4.3 0.9 0.9 volume=44226864.906 peak=490 ppm1=8.012 ppm2=0.759

assign ( resid 80 and name H
	 )
       ( resid 80 and name HD#
	 ) 3.4 0.7 0.7 volume=186958221.375 peak=492 ppm1=7.550 ppm2=7.114

assign ( resid 80 and name H
	 )
       ( resid 80 and name HA
	 ) 3.1 0.6 0.6 volume=342226860.750 peak=493 ppm1=7.550 ppm2=4.529

assign ( resid 80 and name H
	 )
       ( resid 77 and name HA
	 ) 3.9 0.8 0.8 volume=86971066.203 peak=494 ppm1=7.550 ppm2=4.386

assign ( resid 80 and name H
	 )
       ( resid 78 and name HA
	 ) 3.8 0.8 0.8 volume=97772863.625 peak=495 ppm1=7.551 ppm2=4.061

assign ( resid 80 and name H
	 )
       ( resid 79 and name HA
	 ) 3.4 0.7 0.7 volume=176835228.500 peak=496 ppm1=7.550 ppm2=3.853

assign ( resid 80 and name H
	 )
       ( resid 80 and name HB3
	 ) 3.1 0.6 0.6 volume=347950584.000 peak=497 ppm1=7.550 ppm2=3.249

assign ( resid 80 and name H
	 )
       ( resid 80 and name HB2
	 ) 2.9 0.6 0.6 volume=471054046.000 peak=498 ppm1=7.550 ppm2=2.880

assign ( resid 80 and name H
	 )
       ( resid 81 and name HB2
	 ) 3.6 0.7 0.7 volume=127176869.875 peak=499 ppm1=7.551 ppm2=2.344

assign ( resid 80 and name H
	 )
       ( resid 81 and name HB3
	 ) 4.0 0.8 0.8 volume=73431026.875 peak=500 ppm1=7.553 ppm2=2.084

assign ( resid 80 and name H
	 )
       ( resid 78 and name HB3
	 ) 4.1 0.8 0.8 volume=59310487.266 peak=501 ppm1=7.551 ppm2=1.741

assign ( resid 80 and name H
	 )
       ( resid 59 and name HB#
	 ) 4.0 0.8 0.8 volume=66261788.969 peak=502 ppm1=7.551 ppm2=1.385

assign ( resid 80 and name H
	 )
       ( resid 79 and name HB
	 ) 3.6 0.7 0.7 volume=125151382.297 peak=503 ppm1=7.549 ppm2=1.292

assign ( resid 80 and name H
	 )
       ( resid 77 and name HG2#
	 ) 4.2 0.8 0.8 volume=48819686.344 peak=504 ppm1=7.551 ppm2=1.139

assign ( resid 80 and name H
	 )
       ( resid 79 and name HG13
	 ) 3.8 0.8 0.8 volume=99723151.000 peak=505 ppm1=7.551 ppm2=0.634

assign ( resid 6 and name H
	 )
       ( resid 6 and name HD2#
	 ) 3.9 0.8 0.8 volume=83942518.586 peak=506 ppm1=8.194 ppm2=0.912

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB3
	 ) 3.0 0.6 0.6 volume=416982034.000 peak=507 ppm1=8.193 ppm2=1.650

assign ( resid 6 and name H
	 )
       ( resid 5 and name HG2#
	 ) 4.0 0.8 0.8 volume=70207853.773 peak=508 ppm1=8.192 ppm2=1.239

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 0.6 0.6 volume=463163469.500 peak=509 ppm1=8.193 ppm2=4.414

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 3.5 0.7 0.7 volume=157303939.375 peak=510 ppm1=8.193 ppm2=4.248

assign ( resid 57 and name H
	 )
       ( resid 57 and name HA
	 ) 2.8 0.6 0.6 volume=638919874.000 peak=512 ppm1=8.319 ppm2=4.480

assign ( resid 57 and name H
	 )
       ( resid 56 and name HA
	 ) 3.0 0.6 0.6 volume=364868478.500 peak=513 ppm1=8.322 ppm2=4.024

assign ( resid 41 and name H
	 )
       ( resid 41 and name HA
	 ) 2.8 0.6 0.6 volume=568769270.000 peak=514 ppm1=8.338 ppm2=4.199

assign ( resid 44 and name H
	 )
       ( resid 44 and name HA
	 ) 2.9 0.6 0.6 volume=433038665.000 peak=515 ppm1=8.334 ppm2=4.788

assign ( resid 41 and name H
	 )
       ( resid 41 and name HG3
	 ) 3.3 0.7 0.7 volume=213610505.250 peak=516 ppm1=8.339 ppm2=2.266

assign ( resid 57 and name H
	 )
       ( resid 57 and name HB2
	 ) 2.4 0.5 0.5 volume=1358083972.000 peak=517 ppm1=8.327 ppm2=2.037

assign ( resid 51 and name H
	 )
       ( resid 50 and name H
	 ) 3.1 0.6 0.6 volume=234187020.000 peak=519 ppm1=8.009 ppm2=8.775

assign ( resid 50 and name H
	 )
       ( resid 49 and name HD#
	 ) 4.1 0.8 0.8 volume=61062361.750 peak=520 ppm1=8.757 ppm2=6.929

assign ( resid 50 and name H
	 )
       ( resid 48 and name HA
	 ) 4.0 0.8 0.8 volume=69053164.750 peak=521 ppm1=8.758 ppm2=4.666

assign ( resid 50 and name H
	 )
       ( resid 50 and name HA
	 ) 3.0 0.6 0.6 volume=424481115.000 peak=522 ppm1=8.758 ppm2=4.323

assign ( resid 50 and name H
	 )
       ( resid 48 and name HB3
	 ) 3.8 0.8 0.8 volume=90630893.938 peak=523 ppm1=8.758 ppm2=4.040

assign ( resid 50 and name H
	 )
       ( resid 49 and name HB3
	 ) 3.3 0.7 0.7 volume=212379774.750 peak=524 ppm1=8.759 ppm2=2.695

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB3
	 ) 3.0 0.6 0.6 volume=396988540.625 peak=525 ppm1=8.758 ppm2=1.983

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB2
	 ) 3.0 0.6 0.6 volume=419965257.500 peak=526 ppm1=8.759 ppm2=1.883

assign ( resid 50 and name H
	 )
       ( resid 50 and name HG2
	 ) 3.9 0.8 0.8 volume=86485306.500 peak=527 ppm1=8.758 ppm2=1.619

assign ( resid 50 and name H
	 )
       ( resid 50 and name HG3
	 ) 3.9 0.8 0.8 volume=78884369.562 peak=528 ppm1=8.754 ppm2=1.524

assign ( resid 65 and name H
	 )
       ( resid 63 and name H
	 ) 3.9 0.8 0.8 volume=78259859.062 peak=530 ppm1=8.656 ppm2=7.636

assign ( resid 65 and name H
	 )
       ( resid 65 and name HD2
	 ) 3.4 0.7 0.7 volume=178928302.250 peak=531 ppm1=8.656 ppm2=7.109

assign ( resid 65 and name H
	 )
       ( resid 65 and name HA
	 ) 2.9 0.6 0.6 volume=504884129.500 peak=532 ppm1=8.656 ppm2=4.498

assign ( resid 65 and name H
	 )
       ( resid 64 and name HA
	 ) 3.6 0.7 0.7 volume=141249929.500 peak=533 ppm1=8.656 ppm2=4.373

assign ( resid 65 and name H
	 )
       ( resid 62 and name HA
	 ) 3.2 0.6 0.6 volume=266631290.500 peak=534 ppm1=8.656 ppm2=4.072

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB2
	 ) 2.9 0.6 0.6 volume=489290298.000 peak=535 ppm1=8.656 ppm2=3.570

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB3
	 ) 2.7 0.5 0.5 volume=725102228.500 peak=536 ppm1=8.656 ppm2=3.190

assign ( resid 65 and name H
	 )
       ( resid 64 and name HB3
	 ) 3.0 0.6 0.6 volume=423880095.500 peak=537 ppm1=8.656 ppm2=2.949

assign ( resid 65 and name H
	 )
       ( resid 64 and name HB2
	 ) 3.1 0.6 0.6 volume=313722396.250 peak=538 ppm1=8.656 ppm2=2.746

assign ( resid 65 and name H
	 )
       ( resid 63 and name HB2
	 ) 4.1 0.8 0.8 volume=62795764.688 peak=539 ppm1=8.656 ppm2=2.287

assign ( resid 65 and name H
	 )
       ( resid 62 and name HB2
	 ) 3.7 0.7 0.7 volume=102855309.125 peak=540 ppm1=8.655 ppm2=1.845

assign ( resid 65 and name H
	 )
       ( resid 62 and name HG
	 ) 4.1 0.8 0.8 volume=57867316.156 peak=541 ppm1=8.655 ppm2=1.286

assign ( resid 65 and name H
	 )
       ( resid 62 and name HD1#
	 ) 3.3 0.7 0.7 volume=204309751.250 peak=542 ppm1=8.655 ppm2=0.881

assign ( resid 88 and name H
	 )
       ( resid 87 and name HB#
	 ) 2.8 0.6 0.6 volume=542276355.000 peak=543 ppm1=8.521 ppm2=1.739

assign ( resid 88 and name H
	 )
       ( resid 88 and name HG2#
	 ) 2.6 0.5 0.5 volume=829619794.000 peak=544 ppm1=8.521 ppm2=1.317

assign ( resid 88 and name H
	 )
       ( resid 88 and name HG1#
	 ) 3.2 0.6 0.6 volume=282844760.000 peak=545 ppm1=8.521 ppm2=0.898

assign ( resid 88 and name H
	 )
       ( resid 27 and name HG2#
	 ) 3.5 0.7 0.7 volume=159829686.375 peak=546 ppm1=8.522 ppm2=1.131

assign ( resid 88 and name H
	 )
       ( resid 92 and name HD2#
	 ) 3.9 0.8 0.8 volume=87206804.000 peak=547 ppm1=8.523 ppm2=0.759

assign ( resid 88 and name H
	 )
       ( resid 88 and name HB
	 ) 2.6 0.5 0.5 volume=891923886.500 peak=548 ppm1=8.522 ppm2=2.318

assign ( resid 88 and name H
	 )
       ( resid 88 and name HA
	 ) 3.0 0.6 0.6 volume=385481567.000 peak=549 ppm1=8.521 ppm2=3.418

assign ( resid 88 and name H
	 )
       ( resid 82 and name HB3
	 ) 3.8 0.8 0.8 volume=90337447.750 peak=550 ppm1=8.522 ppm2=3.120

assign ( resid 88 and name H
	 )
       ( resid 87 and name HA
	 ) 3.4 0.7 0.7 volume=192561498.750 peak=551 ppm1=8.521 ppm2=4.204

assign ( resid 88 and name H
	 )
       ( resid 85 and name HA
	 ) 3.4 0.7 0.7 volume=195848896.750 peak=552 ppm1=8.523 ppm2=4.098

assign ( resid 88 and name H
	 )
       ( resid 86 and name HA
	 ) 4.0 0.8 0.8 volume=67930398.312 peak=553 ppm1=8.523 ppm2=3.928

assign ( resid 88 and name H
	 )
       ( resid 89 and name HA
	 ) 4.1 0.8 0.8 volume=58604383.531 peak=554 ppm1=8.522 ppm2=3.809

assign ( resid 88 and name H
	 )
       ( resid 49 and name HZ
	 ) 3.9 0.8 0.8 volume=78831004.375 peak=555 ppm1=8.522 ppm2=6.593

assign ( resid 88 and name H
	 )
       ( resid 90 and name H
	 ) 3.9 0.8 0.8 volume=77375496.312 peak=556 ppm1=8.524 ppm2=7.795

assign ( resid 88 and name H
	 )
       ( resid 91 and name H
	 ) 4.0 0.8 0.8 volume=68965971.625 peak=557 ppm1=8.525 ppm2=7.684

assign ( resid 88 and name H
	 )
       ( resid 87 and name H
	 ) 2.8 0.6 0.6 volume=540547303.500 peak=558 ppm1=8.521 ppm2=8.222

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD#
	 ) 3.3 0.7 0.7 volume=201270328.500 peak=560 ppm1=8.173 ppm2=7.033

assign ( resid 37 and name H
	 )
       ( resid 37 and name HA
	 ) 2.9 0.6 0.6 volume=528946092.000 peak=561 ppm1=8.171 ppm2=4.761

assign ( resid 37 and name H
	 )
       ( resid 33 and name HA
	 ) 3.5 0.7 0.7 volume=149866345.031 peak=562 ppm1=8.173 ppm2=4.312

assign ( resid 37 and name H
	 )
       ( resid 36 and name HA3
	 ) 3.1 0.6 0.6 volume=298203333.000 peak=563 ppm1=8.173 ppm2=4.069

assign ( resid 37 and name H
	 )
       ( resid 36 and name HA2
	 ) 2.9 0.6 0.6 volume=461897997.000 peak=564 ppm1=8.173 ppm2=3.843

assign ( resid 37 and name H
	 )
       ( resid 37 and name HB2
	 ) 2.6 0.5 0.5 volume=830801735.000 peak=565 ppm1=8.173 ppm2=2.918

assign ( resid 37 and name H
	 )
       ( resid 32 and name HB#
	 ) 3.2 0.6 0.6 volume=249337273.750 peak=566 ppm1=8.173 ppm2=1.520

assign ( resid 37 and name H
	 )
       ( resid 35 and name HB2
	 ) 3.4 0.7 0.7 volume=183702392.000 peak=567 ppm1=8.174 ppm2=1.403

assign ( resid 37 and name H
	 )
       ( resid 35 and name HB3
	 ) 3.7 0.7 0.7 volume=104706630.250 peak=568 ppm1=8.173 ppm2=1.182

assign ( resid 37 and name H
	 )
       ( resid 43 and name HD2#
	 ) 4.2 0.8 0.8 volume=50372593.750 peak=569 ppm1=8.172 ppm2=0.881

assign ( resid 37 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.1 0.8 0.8 volume=58018573.250 peak=570 ppm1=8.174 ppm2=0.626

assign ( resid 45 and name H
	 )
       ( resid 45 and name HB
	 ) 3.5 0.7 0.7 volume=149518308.625 peak=572 ppm1=8.061 ppm2=4.058

assign ( resid 45 and name H
	 )
       ( resid 45 and name HA
	 ) 3.4 0.7 0.7 volume=174305646.750 peak=573 ppm1=8.061 ppm2=3.891

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB2
	 ) 4.0 0.8 0.8 volume=69219097.750 peak=574 ppm1=8.060 ppm2=2.776

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB3
	 ) 3.8 0.8 0.8 volume=93019363.594 peak=575 ppm1=8.062 ppm2=2.634

assign ( resid 45 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.1 0.6 0.6 volume=306794086.500 peak=576 ppm1=8.061 ppm2=1.103

assign ( resid 45 and name H
	 )
       ( resid 43 and name HD2#
	 ) 4.2 0.8 0.8 volume=48526564.188 peak=577 ppm1=8.062 ppm2=0.874

assign ( resid 45 and name H
	 )
       ( resid 28 and name HD2#
	 ) 4.1 0.8 0.8 volume=58556294.375 peak=578 ppm1=8.060 ppm2=0.793

assign ( resid 5 and name H
	 )
       ( resid 5 and name HG2#
	 ) 4.3 0.9 0.9 volume=43202457.906 peak=579 ppm1=8.071 ppm2=1.241

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 3.6 0.7 0.7 volume=130296878.875 peak=580 ppm1=8.072 ppm2=4.426

assign ( resid 42 and name H
	 )
       ( resid 42 and name HA
	 ) 4.0 0.8 0.8 volume=71762017.219 peak=581 ppm1=8.316 ppm2=4.481

assign ( resid 42 and name H
	 )
       ( resid 41 and name HA
	 ) 3.8 0.8 0.8 volume=95477451.062 peak=582 ppm1=8.315 ppm2=4.187

assign ( resid 42 and name H
	 )
       ( resid 42 and name HB3
	 ) 3.8 0.8 0.8 volume=92897141.062 peak=583 ppm1=8.317 ppm2=3.838

assign ( resid 42 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 4.2 0.8 0.8 volume=48492624.016 peak=584 ppm1=8.312 ppm2=2.027

assign ( resid 91 and name H
	 )
       ( resid 91 and name HD2
	 ) 3.9 0.8 0.8 volume=79038909.438 peak=586 ppm1=7.713 ppm2=6.176

assign ( resid 91 and name H
	 )
       ( resid 89 and name H
	 ) 3.8 0.8 0.8 volume=87922334.906 peak=588 ppm1=7.714 ppm2=8.514

assign ( resid 91 and name H
	 )
       ( resid 90 and name HA
	 ) 3.4 0.7 0.7 volume=184747400.641 peak=589 ppm1=7.714 ppm2=3.874

assign ( resid 91 and name H
	 )
       ( resid 91 and name HA
	 ) 2.8 0.6 0.6 volume=644135945.000 peak=590 ppm1=7.712 ppm2=4.228

assign ( resid 91 and name H
	 )
       ( resid 88 and name HA
	 ) 3.1 0.6 0.6 volume=291606223.000 peak=591 ppm1=7.712 ppm2=3.417

assign ( resid 91 and name H
	 )
       ( resid 91 and name HB2
	 ) 2.6 0.5 0.5 volume=842599248.000 peak=592 ppm1=7.712 ppm2=3.013

assign ( resid 91 and name H
	 )
       ( resid 90 and name HG3
	 ) 2.6 0.5 0.5 volume=992792953.000 peak=593 ppm1=7.712 ppm2=2.208

assign ( resid 91 and name H
	 )
       ( resid 90 and name HG2
	 ) 2.8 0.6 0.6 volume=535560447.500 peak=594 ppm1=7.712 ppm2=2.107

assign ( resid 91 and name H
	 )
       ( resid 93 and name HD1#
	 ) 3.9 0.8 0.8 volume=79382411.750 peak=595 ppm1=7.712 ppm2=1.058

assign ( resid 91 and name H
	 )
       ( resid 89 and name HB#
	 ) 3.7 0.7 0.7 volume=104783895.250 peak=596 ppm1=7.711 ppm2=1.363

assign ( resid 35 and name H
	 )
       ( resid 34 and name H
	 ) 2.6 0.5 0.5 volume=468319784.750 peak=597 ppm1=7.618 ppm2=8.005

assign ( resid 36 and name H
	 )
       ( resid 35 and name H
	 ) 3.0 0.6 0.6 volume=203270806.438 peak=598 ppm1=7.747 ppm2=7.619

assign ( resid 37 and name H
	 )
       ( resid 35 and name H
	 ) 3.5 0.7 0.7 volume=76208808.750 peak=599 ppm1=8.174 ppm2=7.628

assign ( resid 35 and name H
	 )
       ( resid 31 and name HA
	 ) 3.7 0.7 0.7 volume=108185709.000 peak=600 ppm1=7.614 ppm2=4.173

assign ( resid 35 and name H
	 )
       ( resid 32 and name HA
	 ) 3.4 0.7 0.7 volume=183175178.500 peak=601 ppm1=7.618 ppm2=3.860

assign ( resid 35 and name H
	 )
       ( resid 35 and name HA
	 ) 2.9 0.6 0.6 volume=487334607.500 peak=602 ppm1=7.619 ppm2=4.017

assign ( resid 35 and name H
	 )
       ( resid 34 and name HA
	 ) 3.4 0.7 0.7 volume=169375498.000 peak=603 ppm1=7.619 ppm2=3.720

assign ( resid 35 and name H
	 )
       ( resid 33 and name HA
	 ) 4.1 0.8 0.8 volume=60923661.406 peak=604 ppm1=7.617 ppm2=4.312

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB
	 ) 3.0 0.6 0.6 volume=400078347.000 peak=605 ppm1=7.619 ppm2=2.249

assign ( resid 35 and name H
	 )
       ( resid 35 and name HB2
	 ) 2.5 0.5 0.5 volume=1157619777.000 peak=606 ppm1=7.619 ppm2=1.408

assign ( resid 35 and name H
	 )
       ( resid 35 and name HB3
	 ) 3.0 0.6 0.6 volume=400111993.500 peak=607 ppm1=7.619 ppm2=1.181

assign ( resid 35 and name H
	 )
       ( resid 34 and name HG2#
	 or resid 35 and name HG
	 ) 3.4 0.7 0.7 volume=194246562.930 peak=608 ppm1=7.619 ppm2=1.007

assign ( resid 35 and name H
	 )
       ( resid 34 and name HG1#
	 ) 3.2 0.6 0.6 volume=254234246.000 peak=609 ppm1=7.618 ppm2=0.880

assign ( resid 35 and name H
	 )
       ( resid 35 and name HD2#
	 ) 3.2 0.6 0.6 volume=265743439.500 peak=610 ppm1=7.619 ppm2=0.625

assign ( resid 35 and name H
	 )
       ( resid 35 and name HD1#
	 ) 3.2 0.6 0.6 volume=261971390.000 peak=611 ppm1=7.619 ppm2=0.118

assign ( resid 94 and name H
	 )
       ( resid 93 and name HB2
	 ) 3.3 0.7 0.7 volume=225691832.000 peak=612 ppm1=7.567 ppm2=1.488

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB2
	 ) 2.5 0.5 0.5 volume=1209703342.000 peak=613 ppm1=7.567 ppm2=2.105

assign ( resid 94 and name H
	 )
       ( resid 95 and name HG3
	 ) 3.5 0.7 0.7 volume=145051466.750 peak=614 ppm1=7.569 ppm2=1.954

assign ( resid 94 and name H
	 )
       ( resid 93 and name HB3
	 ) 3.0 0.6 0.6 volume=398301781.500 peak=615 ppm1=7.566 ppm2=1.828

assign ( resid 94 and name H
	 )
       ( resid 93 and name HD2#
	 ) 3.3 0.7 0.7 volume=234760294.000 peak=616 ppm1=7.567 ppm2=0.797

assign ( resid 94 and name H
	 )
       ( resid 94 and name HG2
	 ) 3.3 0.7 0.7 volume=218684035.250 peak=617 ppm1=7.567 ppm2=2.298

assign ( resid 94 and name H
	 )
       ( resid 94 and name HG3
	 ) 3.1 0.6 0.6 volume=307916361.750 peak=618 ppm1=7.567 ppm2=2.463

assign ( resid 94 and name H
	 )
       ( resid 93 and name HA
	 ) 3.2 0.6 0.6 volume=267025222.750 peak=619 ppm1=7.567 ppm2=3.888

assign ( resid 94 and name H
	 )
       ( resid 91 and name HA
	 ) 3.3 0.7 0.7 volume=222883489.125 peak=620 ppm1=7.567 ppm2=4.228

assign ( resid 94 and name H
	 )
       ( resid 94 and name HA
	 ) 2.8 0.6 0.6 volume=623636913.000 peak=621 ppm1=7.567 ppm2=4.071

assign ( resid 95 and name H
	 )
       ( resid 94 and name H
	 ) 3.0 0.6 0.6 volume=384794752.000 peak=622 ppm1=7.441 ppm2=7.588

assign ( resid 23 and name H
	 )
       ( resid 21 and name H
	 ) 3.5 0.7 0.7 volume=160442482.750 peak=624 ppm1=8.006 ppm2=7.666

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB
	 ) 2.8 0.6 0.6 volume=551465737.000 peak=625 ppm1=8.005 ppm2=3.810

assign ( resid 23 and name H
	 )
       ( resid 23 and name HA
	 ) 2.4 0.5 0.5 volume=1327696029.000 peak=626 ppm1=8.006 ppm2=4.135

assign ( resid 23 and name H
	 )
       ( resid 20 and name HB2
	 or resid 25 and name HB3
	 ) 3.4 0.7 0.7 volume=169299516.000 peak=627 ppm1=8.006 ppm2=1.909

assign ( resid 23 and name H
	 )
       ( resid 24 and name HB3
	 ) 3.4 0.7 0.7 volume=172120310.500 peak=628 ppm1=8.005 ppm2=1.782

assign ( resid 23 and name H
	 )
       ( resid 21 and name HB#
	 ) 3.6 0.7 0.7 volume=125368728.500 peak=629 ppm1=8.003 ppm2=1.578

assign ( resid 23 and name H
	 )
       ( resid 23 and name HG2#
	 ) 3.1 0.6 0.6 volume=320053255.500 peak=630 ppm1=8.005 ppm2=1.231

assign ( resid 23 and name H
	 )
       ( resid 22 and name HG2#
	 ) 3.1 0.6 0.6 volume=301551174.750 peak=631 ppm1=8.001 ppm2=1.089

assign ( resid 27 and name H
	 )
       ( resid 27 and name HA
	 ) 3.0 0.6 0.6 volume=370826420.750 peak=632 ppm1=7.933 ppm2=3.439

assign ( resid 27 and name H
	 )
       ( resid 27 and name HB
	 ) 2.7 0.5 0.5 volume=775489627.000 peak=633 ppm1=7.933 ppm2=2.286

assign ( resid 23 and name H
	 )
       ( resid 22 and name HB
	 or resid 26 and name HB3
	 ) 2.8 0.6 0.6 volume=549406581.000 peak=634 ppm1=7.934 ppm2=2.055

assign ( resid 27 and name H
	 )
       ( resid 89 and name HB#
	 ) 3.9 0.8 0.8 volume=81470525.062 peak=635 ppm1=7.935 ppm2=1.399

assign ( resid 27 and name H
	 )
       ( resid 27 and name HG1#
	 ) 2.5 0.5 0.5 volume=1116199930.000 peak=636 ppm1=7.934 ppm2=1.090

assign ( resid 27 and name H
	 )
       ( resid 26 and name HD1#
	 ) 3.6 0.7 0.7 volume=140234907.531 peak=637 ppm1=7.934 ppm2=0.916

assign ( resid 27 and name H
	 )
       ( resid 26 and name HD2#
	 ) 3.0 0.6 0.6 volume=360497593.500 peak=638 ppm1=7.933 ppm2=0.766

assign ( resid 27 and name H
	 )
       ( resid 26 and name HA
	 ) 3.6 0.7 0.7 volume=138203535.250 peak=639 ppm1=7.933 ppm2=4.331

assign ( resid 27 and name H
	 )
       ( resid 29 and name H
	 ) 4.0 0.8 0.8 volume=51855183.156 peak=641 ppm1=7.935 ppm2=9.243

assign ( resid 50 and name H
	 )
       ( resid 49 and name H
	 ) 3.2 0.6 0.6 volume=279198221.750 peak=642 ppm1=8.758 ppm2=8.215

assign ( resid 49 and name H
	 )
       ( resid 49 and name HD#
	 ) 2.9 0.6 0.6 volume=472064346.000 peak=643 ppm1=8.215 ppm2=6.926

assign ( resid 49 and name H
	 )
       ( resid 54 and name HD#
	 ) 3.9 0.8 0.8 volume=82167271.125 peak=644 ppm1=8.209 ppm2=7.381

assign ( resid 49 and name H
	 )
       ( resid 48 and name HA
	 ) 2.5 0.5 0.5 volume=1082651196.000 peak=645 ppm1=8.215 ppm2=4.659

assign ( resid 49 and name H
	 )
       ( resid 48 and name HB2
	 ) 2.7 0.5 0.5 volume=678876214.000 peak=646 ppm1=8.214 ppm2=4.374

assign ( resid 49 and name H
	 )
       ( resid 48 and name HB3
	 ) 3.2 0.6 0.6 volume=258760595.500 peak=647 ppm1=8.215 ppm2=4.035

assign ( resid 49 and name H
	 )
       ( resid 85 and name HD2
	 ) 3.7 0.7 0.7 volume=103009694.875 peak=648 ppm1=8.215 ppm2=3.806

assign ( resid 49 and name H
	 )
       ( resid 85 and name HD3
	 ) 3.8 0.8 0.8 volume=97585274.312 peak=649 ppm1=8.215 ppm2=2.529

assign ( resid 49 and name H
	 )
       ( resid 79 and name HB
	 ) 3.9 0.8 0.8 volume=76943782.000 peak=650 ppm1=8.215 ppm2=1.298

assign ( resid 49 and name H
	 )
       ( resid 52 and name HD2#
	 ) 3.7 0.7 0.7 volume=116613022.000 peak=651 ppm1=8.212 ppm2=0.762

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB#
	 ) 2.4 0.5 0.5 volume=1478407518.000 peak=652 ppm1=7.981 ppm2=1.536

assign ( resid 69 and name H
	 )
       ( resid 68 and name HG2#
	 ) 3.0 0.6 0.6 volume=394972001.500 peak=653 ppm1=7.981 ppm2=1.271

assign ( resid 69 and name H
	 )
       ( resid 66 and name HB2
	 ) 3.9 0.8 0.8 volume=77784096.375 peak=654 ppm1=7.980 ppm2=0.919

assign ( resid 69 and name H
	 )
       ( resid 26 and name HD2#
	 ) 3.4 0.7 0.7 volume=175050046.875 peak=655 ppm1=7.982 ppm2=0.776

assign ( resid 69 and name H
	 )
       ( resid 66 and name HA
	 or resid 67 and name HA
	 ) 3.1 0.6 0.6 volume=350560011.625 peak=656 ppm1=7.982 ppm2=4.139

assign ( resid 69 and name H
	 )
       ( resid 68 and name HA
	 ) 3.3 0.7 0.7 volume=215077689.750 peak=657 ppm1=7.981 ppm2=3.954

assign ( resid 69 and name H
	 )
       ( resid 69 and name HA
	 ) 2.5 0.5 0.5 volume=1184738141.000 peak=658 ppm1=7.981 ppm2=4.308

assign ( resid 69 and name H
	 )
       ( resid 65 and name HA
	 ) 3.6 0.7 0.7 volume=141870347.750 peak=659 ppm1=7.981 ppm2=4.498

assign ( resid 81 and name H
	 )
       ( resid 80 and name HD#
	 ) 3.9 0.8 0.8 volume=83774615.125 peak=662 ppm1=7.977 ppm2=7.113

assign ( resid 81 and name H
	 )
       ( resid 82 and name HD2
	 ) 3.7 0.7 0.7 volume=103651547.500 peak=663 ppm1=7.977 ppm2=6.684

assign ( resid 81 and name H
	 )
       ( resid 80 and name HB3
	 ) 3.2 0.6 0.6 volume=274752837.000 peak=664 ppm1=7.977 ppm2=3.248

assign ( resid 81 and name H
	 )
       ( resid 80 and name HB2
	 ) 3.0 0.6 0.6 volume=361223483.000 peak=665 ppm1=7.977 ppm2=2.882

assign ( resid 81 and name H
	 )
       ( resid 81 and name HB2
	 ) 2.8 0.6 0.6 volume=634790074.000 peak=666 ppm1=7.977 ppm2=2.344

assign ( resid 81 and name H
	 )
       ( resid 81 and name HB3
	 ) 3.0 0.6 0.6 volume=417510042.500 peak=667 ppm1=7.978 ppm2=2.075

assign ( resid 62 and name H
	 )
       ( resid 34 and name HG2#
	 ) 3.2 0.6 0.6 volume=268623173.500 peak=668 ppm1=8.433 ppm2=1.011

assign ( resid 62 and name H
	 )
       ( resid 34 and name HG1#
	 or resid 62 and name HD1#
	 ) 2.9 0.6 0.6 volume=440329696.500 peak=669 ppm1=8.432 ppm2=0.881

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB3
	 ) 2.7 0.5 0.5 volume=665564304.000 peak=670 ppm1=8.431 ppm2=1.490

assign ( resid 62 and name H
	 )
       ( resid 62 and name HG
	 ) 3.3 0.7 0.7 volume=205881727.750 peak=671 ppm1=8.432 ppm2=1.281

assign ( resid 62 and name H
	 )
       ( resid 61 and name HG3
	 ) 2.9 0.6 0.6 volume=511206855.000 peak=672 ppm1=8.433 ppm2=2.186

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB2
	 ) 2.7 0.5 0.5 volume=715677023.500 peak=673 ppm1=8.431 ppm2=1.800

assign ( resid 62 and name H
	 )
       ( resid 59 and name HA
	 ) 3.3 0.7 0.7 volume=236095613.000 peak=674 ppm1=8.434 ppm2=3.869

assign ( resid 62 and name H
	 )
       ( resid 62 and name HA
	 ) 2.8 0.6 0.6 volume=580228762.500 peak=675 ppm1=8.432 ppm2=4.082

assign ( resid 63 and name H
	 )
       ( resid 62 and name H
	 ) 2.6 0.5 0.5 volume=908831869.000 peak=677 ppm1=7.636 ppm2=8.438

assign ( resid 46 and name H
	 )
       ( resid 46 and name HA
	 ) 3.6 0.7 0.7 volume=132865968.375 peak=679 ppm1=8.451 ppm2=4.627

assign ( resid 46 and name H
	 )
       ( resid 46 and name HB3
	 ) 3.6 0.7 0.7 volume=140875581.250 peak=680 ppm1=8.451 ppm2=3.273

assign ( resid 46 and name H
	 )
       ( resid 46 and name HB2
	 ) 3.3 0.7 0.7 volume=216302910.000 peak=681 ppm1=8.449 ppm2=2.939

assign ( resid 22 and name H
	 )
       ( resid 19 and name HA
	 ) 3.3 0.7 0.7 volume=221894188.750 peak=682 ppm1=8.487 ppm2=3.849

assign ( resid 22 and name H
	 )
       ( resid 22 and name HA
	 ) 2.9 0.6 0.6 volume=529706144.000 peak=683 ppm1=8.487 ppm2=3.715

assign ( resid 22 and name H
	 )
       ( resid 21 and name HB#
	 ) 2.7 0.5 0.5 volume=804420411.000 peak=684 ppm1=8.487 ppm2=1.583

assign ( resid 22 and name H
	 )
       ( resid 22 and name HG2#
	 ) 2.6 0.5 0.5 volume=1019527627.500 peak=685 ppm1=8.487 ppm2=1.089

assign ( resid 22 and name H
	 )
       ( resid 22 and name HG1#
	 ) 2.8 0.6 0.6 volume=560811415.500 peak=686 ppm1=8.487 ppm2=0.874

assign ( resid 22 and name H
	 )
       ( resid 21 and name HA
	 ) 3.0 0.6 0.6 volume=429251493.500 peak=687 ppm1=8.486 ppm2=4.134

assign ( resid 23 and name H
	 )
       ( resid 22 and name H
	 ) 2.6 0.5 0.5 volume=553781551.000 peak=688 ppm1=8.005 ppm2=8.517

assign ( resid 21 and name H
	 )
       ( resid 22 and name H
	 ) 2.8 0.6 0.6 volume=572285919.500 peak=689 ppm1=7.684 ppm2=8.491

assign ( resid 27 and name H
	 )
       ( resid 28 and name H
	 ) 2.9 0.6 0.6 volume=487109568.000 peak=690 ppm1=7.934 ppm2=8.359

assign ( resid 7 and name H
	 )
       ( resid 8 and name H
	 ) 3.0 0.6 0.6 volume=405664753.500 peak=691 ppm1=8.286 ppm2=7.973

assign ( resid 7 and name H
	 )
       ( resid 4 and name HA
	 ) 3.3 0.7 0.7 volume=239562192.750 peak=692 ppm1=8.286 ppm2=4.482

assign ( resid 7 and name H
	 )
       ( resid 4 and name HA
	 or resid 5 and name HA
	 or resid 5 and name HB
	 ) 3.2 0.6 0.6 volume=253444876.500 peak=693 ppm1=8.284 ppm2=4.414

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB2
	 ) 2.8 0.6 0.6 volume=596750518.000 peak=694 ppm1=8.286 ppm2=1.828

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB3
	 ) 2.6 0.5 0.5 volume=997573310.000 peak=695 ppm1=8.286 ppm2=1.561

assign ( resid 7 and name H
	 )
       ( resid 3 and name HG2#
	 or resid 8 and name HG2#
	 or resid 70 and name HG2#
	 ) 3.3 0.7 0.7 volume=209245593.500 peak=696 ppm1=8.286 ppm2=1.269

assign ( resid 7 and name H
	 )
       ( resid 6 and name HD1#
	 or resid 7 and name HD1#
	 or resid 7 and name HD2#
	 ) 2.9 0.6 0.6 volume=467933740.000 peak=697 ppm1=8.286 ppm2=0.892

assign ( resid 28 and name H
	 )
       ( resid 27 and name HG1#
	 ) 3.0 0.6 0.6 volume=403780069.500 peak=698 ppm1=8.354 ppm2=1.116

assign ( resid 28 and name H
	 )
       ( resid 28 and name HD1#
	 or resid 43 and name HD2#
	 or resid 62 and name HD1#
	 ) 3.0 0.6 0.6 volume=371501770.000 peak=699 ppm1=8.353 ppm2=0.883

assign ( resid 28 and name H
	 )
       ( resid 28 and name HD2#
	 ) 3.0 0.6 0.6 volume=398773337.000 peak=700 ppm1=8.354 ppm2=0.783

assign ( resid 28 and name H
	 )
       ( resid 40 and name HG2#
	 ) 3.7 0.7 0.7 volume=103112424.125 peak=701 ppm1=8.354 ppm2=1.295

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB2
	 ) 2.7 0.5 0.5 volume=754745430.000 peak=702 ppm1=8.354 ppm2=1.970

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB3
	 ) 2.8 0.6 0.6 volume=556824644.000 peak=703 ppm1=8.353 ppm2=1.577

assign ( resid 28 and name H
	 )
       ( resid 24 and name HA
	 ) 3.9 0.8 0.8 volume=85795573.594 peak=704 ppm1=8.353 ppm2=3.738

assign ( resid 28 and name H
	 )
       ( resid 27 and name HA
	 ) 3.5 0.7 0.7 volume=147327596.875 peak=705 ppm1=8.354 ppm2=3.438

assign ( resid 28 and name H
	 )
       ( resid 26 and name HA
	 ) 3.7 0.7 0.7 volume=115053765.031 peak=707 ppm1=8.352 ppm2=4.344

assign ( resid 28 and name H
	 )
       ( resid 28 and name HA
	 ) 2.7 0.5 0.5 volume=710918321.000 peak=708 ppm1=8.354 ppm2=3.985

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB2
	 ) 2.7 0.5 0.5 volume=657396176.000 peak=710 ppm1=8.153 ppm2=2.313

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB3
	 ) 2.6 0.5 0.5 volume=1031376748.000 peak=711 ppm1=8.153 ppm2=1.839

assign ( resid 52 and name H
	 )
       ( resid 51 and name HB2
	 ) 3.4 0.7 0.7 volume=190579983.750 peak=712 ppm1=8.153 ppm2=2.983

assign ( resid 52 and name H
	 )
       ( resid 52 and name HD1#
	 ) 3.2 0.6 0.6 volume=244870521.500 peak=713 ppm1=8.154 ppm2=0.995

assign ( resid 52 and name H
	 )
       ( resid 52 and name HD2#
	 ) 3.1 0.6 0.6 volume=296592713.000 peak=714 ppm1=8.153 ppm2=0.762

assign ( resid 52 and name H
	 )
       ( resid 53 and name HA3
	 ) 3.9 0.8 0.8 volume=85587385.500 peak=715 ppm1=8.156 ppm2=3.812

assign ( resid 54 and name H
	 )
       ( resid 50 and name HA
	 or resid 52 and name HA
	 ) 2.9 0.6 0.6 volume=484795950.000 peak=716 ppm1=8.110 ppm2=4.327

assign ( resid 52 and name H
	 )
       ( resid 51 and name HA
	 ) 3.4 0.7 0.7 volume=175085119.000 peak=717 ppm1=8.153 ppm2=4.542

assign ( resid 52 and name H
	 )
       ( resid 52 and name HA
	 ) 2.7 0.5 0.5 volume=744614652.000 peak=718 ppm1=8.153 ppm2=4.330

assign ( resid 52 and name H
	 )
       ( resid 53 and name H
	 ) 2.9 0.6 0.6 volume=530070151.500 peak=719 ppm1=8.149 ppm2=7.743

assign ( resid 51 and name H
	 )
       ( resid 52 and name H
	 ) 2.8 0.6 0.6 volume=547176852.500 peak=720 ppm1=8.010 ppm2=8.164

assign ( resid 52 and name H
	 )
       ( resid 50 and name H
	 ) 3.9 0.8 0.8 volume=79508879.000 peak=721 ppm1=8.157 ppm2=8.773

assign ( resid 71 and name H
	 )
       ( resid 69 and name H
	 ) 3.8 0.8 0.8 volume=94188917.562 peak=723 ppm1=8.593 ppm2=7.981

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB3
	 ) 2.5 0.5 0.5 volume=1087717552.000 peak=724 ppm1=7.769 ppm2=2.049

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB2
	 ) 2.6 0.5 0.5 volume=913113051.000 peak=725 ppm1=7.769 ppm2=1.736

assign ( resid 26 and name H
	 )
       ( resid 22 and name HG2#
	 ) 3.5 0.7 0.7 volume=158722155.500 peak=726 ppm1=7.768 ppm2=1.089

assign ( resid 26 and name H
	 )
       ( resid 26 and name HD1#
	 ) 3.2 0.6 0.6 volume=250208747.625 peak=727 ppm1=7.768 ppm2=0.911

assign ( resid 26 and name H
	 )
       ( resid 26 and name HD2#
	 ) 3.2 0.6 0.6 volume=257336150.000 peak=728 ppm1=7.768 ppm2=0.775

assign ( resid 26 and name H
	 )
       ( resid 26 and name HA
	 ) 2.8 0.6 0.6 volume=534670725.500 peak=729 ppm1=7.768 ppm2=4.329

assign ( resid 26 and name H
	 )
       ( resid 25 and name HA
	 ) 3.4 0.7 0.7 volume=195040544.250 peak=730 ppm1=7.769 ppm2=3.978

assign ( resid 26 and name H
	 )
       ( resid 23 and name HB
	 ) 3.0 0.6 0.6 volume=359850581.500 peak=731 ppm1=7.769 ppm2=3.801

assign ( resid 26 and name H
	 )
       ( resid 27 and name H
	 ) 3.2 0.6 0.6 volume=290770114.500 peak=732 ppm1=7.769 ppm2=7.937

assign ( resid 26 and name H
	 )
       ( resid 28 and name H
	 ) 3.6 0.7 0.7 volume=81288681.812 peak=733 ppm1=7.767 ppm2=8.365

assign ( resid 71 and name H
	 )
       ( resid 72 and name H
	 ) 2.7 0.5 0.5 volume=532369207.000 peak=734 ppm1=8.595 ppm2=7.689

assign ( resid 72 and name H
	 )
       ( resid 72 and name HA
	 ) 2.9 0.6 0.6 volume=490530454.000 peak=735 ppm1=7.701 ppm2=4.450

assign ( resid 72 and name H
	 )
       ( resid 71 and name HA3
	 ) 3.3 0.7 0.7 volume=215649852.500 peak=736 ppm1=7.703 ppm2=4.317

assign ( resid 72 and name H
	 )
       ( resid 70 and name HB
	 ) 2.8 0.6 0.6 volume=597020688.000 peak=737 ppm1=7.698 ppm2=4.148

assign ( resid 72 and name H
	 )
       ( resid 71 and name HA2
	 ) 3.2 0.6 0.6 volume=252663163.000 peak=738 ppm1=7.701 ppm2=3.877

assign ( resid 72 and name H
	 )
       ( resid 72 and name HD2#
	 or resid 74 and name HD2#
	 ) 2.7 0.5 0.5 volume=662872128.000 peak=739 ppm1=7.701 ppm2=0.814

assign ( resid 63 and name H
	 )
       ( resid 62 and name HD2#
	 ) 3.7 0.7 0.7 volume=110143503.500 peak=740 ppm1=7.632 ppm2=0.241

assign ( resid 63 and name H
	 )
       ( resid 63 and name HB2
	 ) 2.8 0.6 0.6 volume=602199814.500 peak=741 ppm1=7.629 ppm2=2.287

assign ( resid 63 and name H
	 )
       ( resid 62 and name HB3
	 ) 3.1 0.6 0.6 volume=314268701.000 peak=742 ppm1=7.633 ppm2=1.488

assign ( resid 61 and name H
	 )
       ( resid 61 and name HG3
	 ) 2.5 0.5 0.5 volume=1072644025.000 peak=743 ppm1=7.640 ppm2=2.186

assign ( resid 63 and name H
	 )
       ( resid 63 and name HB3
	 ) 2.5 0.5 0.5 volume=1231968792.000 peak=744 ppm1=7.633 ppm2=2.043

assign ( resid 61 and name H
	 )
       ( resid 60 and name HB3
	 ) 2.7 0.5 0.5 volume=810394657.000 peak=745 ppm1=7.641 ppm2=1.929

assign ( resid 63 and name H
	 )
       ( resid 62 and name HB2
	 ) 2.9 0.6 0.6 volume=469965052.000 peak=746 ppm1=7.632 ppm2=1.807

assign ( resid 63 and name H
	 )
       ( resid 62 and name HG
	 ) 3.2 0.6 0.6 volume=268391037.250 peak=747 ppm1=7.635 ppm2=1.277

assign ( resid 61 and name H
	 )
       ( resid 61 and name HG2
	 ) 3.1 0.6 0.6 volume=329094694.250 peak=748 ppm1=7.641 ppm2=2.428

assign ( resid 60 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.8 1.0 1.0 volume=23481640.383 peak=749 ppm1=7.220 ppm2=-0.006

assign ( resid 60 and name H
	 )
       ( resid 61 and name HG2
	 ) 4.7 0.9 0.9 volume=26787373.875 peak=750 ppm1=7.215 ppm2=2.428

assign ( resid 98 and name H
	 )
       ( resid 96 and name HG2#
	 ) 4.6 0.9 0.9 volume=29654539.750 peak=751 ppm1=8.447 ppm2=0.891

assign ( resid 79 and name H
	 )
       ( resid 80 and name HB3
	 ) 4.6 0.9 0.9 volume=29470002.438 peak=752 ppm1=7.573 ppm2=3.245

assign ( resid 79 and name H
	 )
       ( resid 80 and name HB2
	 ) 4.5 0.9 0.9 volume=35962405.797 peak=753 ppm1=7.574 ppm2=2.878

assign ( resid 79 and name H
	 )
       ( resid 49 and name HB3
	 ) 4.4 0.9 0.9 volume=37949058.156 peak=754 ppm1=7.574 ppm2=2.698

assign ( resid 79 and name H
	 )
       ( resid 82 and name HB2
	 ) 4.5 0.9 0.9 volume=33559608.438 peak=755 ppm1=7.573 ppm2=2.319

assign ( resid 84 and name H
	 )
       ( resid 86 and name HB3
	 ) 4.8 1.0 1.0 volume=22417880.781 peak=756 ppm1=7.304 ppm2=2.874

assign ( resid 84 and name H
	 )
       ( resid 86 and name HB2
	 ) 4.9 1.0 1.0 volume=20634069.848 peak=757 ppm1=7.311 ppm2=2.693

assign ( resid 84 and name H
	 )
       ( resid 49 and name HE#
	 ) 3.3 0.7 0.7 volume=216215202.500 peak=758 ppm1=7.307 ppm2=6.988

assign ( resid 70 and name H
	 )
       ( resid 67 and name HG2
	 ) 4.4 0.9 0.9 volume=38634423.125 peak=759 ppm1=7.620 ppm2=2.600

assign ( resid 70 and name H
	 )
       ( resid 67 and name HB3
	 ) 4.8 1.0 1.0 volume=24160559.375 peak=760 ppm1=7.620 ppm2=2.287

assign ( resid 70 and name H
	 )
       ( resid 66 and name HB3
	 ) 4.4 0.9 0.9 volume=39736183.125 peak=761 ppm1=7.619 ppm2=2.015

assign ( resid 53 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.5 0.9 0.9 volume=32267735.297 peak=762 ppm1=7.737 ppm2=0.624

assign ( resid 53 and name H
	 )
       ( resid 50 and name HB3
	 ) 4.7 0.9 0.9 volume=25572423.250 peak=763 ppm1=7.735 ppm2=2.009

assign ( resid 53 and name H
	 )
       ( resid 51 and name HB2
	 ) 4.6 0.9 0.9 volume=28904251.398 peak=764 ppm1=7.737 ppm2=2.986

assign ( resid 53 and name H
	 )
       ( resid 50 and name H
	 ) 4.7 0.9 0.9 volume=26939216.812 peak=765 ppm1=7.742 ppm2=8.772

assign ( resid 19 and name H
	 )
       ( resid 15 and name H
	 ) 4.3 0.9 0.9 volume=26618503.219 peak=766 ppm1=9.102 ppm2=8.782

assign ( resid 15 and name H
	 )
       ( resid 19 and name HA
	 ) 4.7 0.9 0.9 volume=26302973.141 peak=767 ppm1=8.779 ppm2=3.842

assign ( resid 71 and name H
	 )
       ( resid 67 and name HB3
	 ) 5.0 1.0 1.0 volume=17755935.125 peak=768 ppm1=8.593 ppm2=2.278

assign ( resid 71 and name H
	 )
       ( resid 67 and name HG2
	 ) 4.7 0.9 0.9 volume=26631712.750 peak=769 ppm1=8.595 ppm2=2.571

assign ( resid 18 and name H
	 )
       ( resid 17 and name H
	 ) 3.5 0.7 0.7 volume=106419882.812 peak=771 ppm1=7.554 ppm2=8.183

assign ( resid 17 and name H
	 )
       ( resid 15 and name HA
	 ) 5.0 1.0 1.0 volume=18123740.656 peak=772 ppm1=8.174 ppm2=4.405

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB
	 ) 3.3 0.7 0.7 volume=224076328.250 peak=773 ppm1=8.176 ppm2=4.115

assign ( resid 17 and name H
	 )
       ( resid 17 and name HA
	 ) 3.5 0.7 0.7 volume=144886914.875 peak=774 ppm1=8.176 ppm2=3.979

assign ( resid 17 and name H
	 )
       ( resid 18 and name HG3
	 ) 4.7 0.9 0.9 volume=27395990.812 peak=775 ppm1=8.181 ppm2=2.350

assign ( resid 17 and name H
	 )
       ( resid 18 and name HB3
	 ) 5.1 1.0 1.0 volume=15817857.156 peak=776 ppm1=8.188 ppm2=2.085

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.4 0.7 0.7 volume=179460967.500 peak=777 ppm1=8.175 ppm2=1.530

assign ( resid 17 and name H
	 )
       ( resid 17 and name HG2#
	 ) 3.8 0.8 0.8 volume=90109914.625 peak=778 ppm1=8.176 ppm2=1.307

assign ( resid 8 and name H
	 )
       ( resid 6 and name HD2#
	 or resid 7 and name HD1#
	 or resid 7 and name HD2#
	 ) 3.2 0.6 0.6 volume=243130336.000 peak=779 ppm1=7.970 ppm2=0.892

assign ( resid 8 and name H
	 )
       ( resid 11 and name HD1#
	 ) 3.6 0.7 0.7 volume=140982144.500 peak=780 ppm1=7.970 ppm2=0.757

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB2
	 ) 3.1 0.6 0.6 volume=327962289.000 peak=781 ppm1=7.970 ppm2=1.828

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB3
	 ) 3.1 0.6 0.6 volume=352300511.500 peak=782 ppm1=7.971 ppm2=1.554

assign ( resid 39 and name H
	 )
       ( resid 37 and name HB3
	 ) 4.2 0.8 0.8 volume=52079482.938 peak=783 ppm1=7.951 ppm2=3.327

assign ( resid 39 and name H
	 )
       ( resid 37 and name HB2
	 ) 4.6 0.9 0.9 volume=31829449.062 peak=784 ppm1=7.957 ppm2=2.932

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 3.0 0.6 0.6 volume=426443988.500 peak=785 ppm1=7.970 ppm2=3.718

assign ( resid 39 and name H
	 )
       ( resid 39 and name HB3
	 ) 4.1 0.8 0.8 volume=59866957.406 peak=786 ppm1=7.967 ppm2=4.013

assign ( resid 8 and name H
	 )
       ( resid 5 and name HA
	 ) 3.6 0.7 0.7 volume=130024435.250 peak=787 ppm1=7.970 ppm2=4.414

assign ( resid 8 and name H
	 )
       ( resid 8 and name HB
	 ) 2.7 0.5 0.5 volume=664300563.500 peak=788 ppm1=7.970 ppm2=4.261

assign ( resid 39 and name H
	 )
       ( resid 39 and name HB2
	 ) 4.2 0.8 0.8 volume=50439709.727 peak=789 ppm1=7.953 ppm2=3.851

assign ( resid 77 and name H
	 )
       ( resid 77 and name HG2#
	 ) 2.8 0.6 0.6 volume=587271595.000 peak=791 ppm1=7.839 ppm2=1.141

assign ( resid 77 and name H
	 )
       ( resid 78 and name HB3
	 ) 4.1 0.8 0.8 volume=62487213.188 peak=792 ppm1=7.842 ppm2=1.746

assign ( resid 77 and name H
	 )
       ( resid 59 and name HB#
	 ) 5.0 1.0 1.0 volume=17915396.500 peak=793 ppm1=7.843 ppm2=1.392

assign ( resid 77 and name H
	 )
       ( resid 78 and name HB2
	 ) 3.9 0.8 0.8 volume=75793962.062 peak=794 ppm1=7.839 ppm2=2.107

assign ( resid 77 and name H
	 )
       ( resid 77 and name HA
	 ) 2.9 0.6 0.6 volume=453555471.625 peak=795 ppm1=7.838 ppm2=4.393

assign ( resid 77 and name H
	 )
       ( resid 76 and name HA
	 ) 2.9 0.6 0.6 volume=431330515.000 peak=796 ppm1=7.839 ppm2=4.013

assign ( resid 77 and name H
	 )
       ( resid 75 and name HB2
	 ) 3.4 0.7 0.7 volume=193962239.250 peak=797 ppm1=7.839 ppm2=3.706

assign ( resid 31 and name H
	 )
       ( resid 33 and name H
	 ) 3.9 0.8 0.8 volume=36710178.859 peak=799 ppm1=8.859 ppm2=7.668

assign ( resid 32 and name H
	 )
       ( resid 33 and name H
	 ) 2.8 0.6 0.6 volume=496680777.500 peak=800 ppm1=8.735 ppm2=7.670

assign ( resid 33 and name H
	 )
       ( resid 34 and name H
	 ) 2.6 0.5 0.5 volume=446368235.750 peak=801 ppm1=7.666 ppm2=8.007

assign ( resid 33 and name H
	 )
       ( resid 33 and name HA
	 ) 2.8 0.6 0.6 volume=615108975.250 peak=802 ppm1=7.666 ppm2=4.309

assign ( resid 33 and name H
	 )
       ( resid 33 and name HB2
	 ) 2.4 0.5 0.5 volume=1528503822.000 peak=803 ppm1=7.666 ppm2=4.055

assign ( resid 33 and name H
	 )
       ( resid 32 and name HA
	 ) 3.5 0.7 0.7 volume=156908916.031 peak=804 ppm1=7.666 ppm2=3.877

assign ( resid 33 and name H
	 )
       ( resid 34 and name HA
	 ) 4.4 0.9 0.9 volume=37829024.828 peak=805 ppm1=7.666 ppm2=3.716

assign ( resid 33 and name H
	 )
       ( resid 37 and name HB3
	 ) 4.9 1.0 1.0 volume=20999432.594 peak=806 ppm1=7.667 ppm2=3.341

assign ( resid 33 and name H
	 )
       ( resid 37 and name HB2
	 ) 4.3 0.9 0.9 volume=44470370.875 peak=807 ppm1=7.666 ppm2=2.937

assign ( resid 33 and name H
	 )
       ( resid 29 and name HB2
	 ) 4.9 1.0 1.0 volume=20193171.781 peak=808 ppm1=7.663 ppm2=2.605

assign ( resid 33 and name H
	 )
       ( resid 34 and name HB
	 ) 4.0 0.8 0.8 volume=67230967.688 peak=809 ppm1=7.667 ppm2=2.252

assign ( resid 33 and name H
	 )
       ( resid 30 and name HB2
	 ) 4.1 0.8 0.8 volume=56170897.875 peak=810 ppm1=7.667 ppm2=2.046

assign ( resid 33 and name H
	 )
       ( resid 31 and name HB#
	 ) 4.2 0.8 0.8 volume=49623219.625 peak=811 ppm1=7.665 ppm2=1.674

assign ( resid 33 and name H
	 )
       ( resid 32 and name HB#
	 ) 2.7 0.5 0.5 volume=712950968.000 peak=812 ppm1=7.666 ppm2=1.523

assign ( resid 33 and name H
	 )
       ( resid 35 and name HB2
	 ) 4.6 0.9 0.9 volume=31516288.594 peak=813 ppm1=7.666 ppm2=1.362

assign ( resid 33 and name H
	 )
       ( resid 40 and name HG2#
	 ) 4.4 0.9 0.9 volume=40318449.844 peak=814 ppm1=7.666 ppm2=1.276

assign ( resid 33 and name H
	 )
       ( resid 34 and name HG2#
	 ) 4.9 1.0 1.0 volume=19827197.812 peak=815 ppm1=7.666 ppm2=1.015

assign ( resid 33 and name H
	 )
       ( resid 34 and name HG1#
	 ) 3.4 0.7 0.7 volume=180059959.500 peak=816 ppm1=7.666 ppm2=0.881

assign ( resid 33 and name H
	 )
       ( resid 35 and name HD2#
	 ) 5.3 1.1 1.1 volume=12257017.328 peak=817 ppm1=7.668 ppm2=0.625

assign ( resid 5 and name H
	 )
       ( resid 4 and name HB#
	 ) 4.9 1.0 1.0 volume=21184314.047 peak=818 ppm1=8.078 ppm2=1.403

assign ( resid 58 and name H
	 )
       ( resid 61 and name H
	 ) 4.4 0.9 0.9 volume=40933793.094 peak=819 ppm1=8.926 ppm2=7.647

assign ( resid 58 and name H
	 )
       ( resid 54 and name HD#
	 ) 4.5 0.9 0.9 volume=32265501.438 peak=820 ppm1=8.926 ppm2=7.390

assign ( resid 58 and name H
	 )
       ( resid 55 and name HB3
	 ) 4.6 0.9 0.9 volume=31170422.344 peak=821 ppm1=8.924 ppm2=3.285

assign ( resid 58 and name H
	 )
       ( resid 55 and name HB2
	 ) 4.2 0.8 0.8 volume=50005063.188 peak=822 ppm1=8.923 ppm2=2.741

assign ( resid 95 and name H
	 )
       ( resid 96 and name HG13
	 ) 3.9 0.8 0.8 volume=85256806.500 peak=823 ppm1=7.441 ppm2=1.663

assign ( resid 95 and name H
	 )
       ( resid 72 and name HG
	 or resid 93 and name HB2
	 ) 4.4 0.9 0.9 volume=41108349.875 peak=824 ppm1=7.441 ppm2=1.495

assign ( resid 95 and name H
	 )
       ( resid 96 and name HG12
	 ) 3.8 0.8 0.8 volume=90581058.500 peak=825 ppm1=7.442 ppm2=1.224

assign ( resid 95 and name H
	 )
       ( resid 93 and name HD1#
	 ) 4.7 0.9 0.9 volume=25140316.594 peak=826 ppm1=7.440 ppm2=1.071

assign ( resid 95 and name H
	 )
       ( resid 95 and name HB3
	 ) 2.6 0.5 0.5 volume=918962820.000 peak=827 ppm1=7.441 ppm2=2.257

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB2
	 ) 3.1 0.6 0.6 volume=296143027.000 peak=828 ppm1=7.442 ppm2=2.097

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB3
	 or resid 94 and name HB2
	 ) 2.6 0.5 0.5 volume=970753476.000 peak=829 ppm1=7.441 ppm2=1.929

assign ( resid 95 and name H
	 )
       ( resid 94 and name HG3
	 ) 4.8 1.0 1.0 volume=22963765.445 peak=830 ppm1=7.441 ppm2=2.468

assign ( resid 95 and name H
	 )
       ( resid 96 and name HA
	 ) 4.8 1.0 1.0 volume=23075470.215 peak=831 ppm1=7.441 ppm2=4.329

assign ( resid 95 and name H
	 )
       ( resid 95 and name HA
	 ) 2.9 0.6 0.6 volume=497573737.500 peak=832 ppm1=7.441 ppm2=4.196

assign ( resid 95 and name H
	 )
       ( resid 94 and name HA
	 ) 3.3 0.7 0.7 volume=202116398.250 peak=833 ppm1=7.441 ppm2=4.067

assign ( resid 95 and name H
	 )
       ( resid 93 and name HA
	 ) 3.6 0.7 0.7 volume=135607055.000 peak=834 ppm1=7.442 ppm2=3.893

assign ( resid 95 and name H
	 )
       ( resid 92 and name HA
	 ) 3.5 0.7 0.7 volume=156536645.000 peak=835 ppm1=7.442 ppm2=3.596

assign ( resid 11 and name H
	 )
       ( resid 14 and name HD2#
	 ) 3.2 0.6 0.6 volume=287211476.000 peak=837 ppm1=7.573 ppm2=0.897

assign ( resid 11 and name H
	 )
       ( resid 11 and name HD2#
	 ) 2.8 0.6 0.6 volume=603369470.000 peak=838 ppm1=7.573 ppm2=0.762

assign ( resid 11 and name H
	 )
       ( resid 10 and name HB2
	 ) 2.5 0.5 0.5 volume=1220966330.000 peak=839 ppm1=7.573 ppm2=1.926

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB2
	 ) 2.8 0.6 0.6 volume=648079637.000 peak=840 ppm1=7.574 ppm2=1.776

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB3
	 or resid 12 and name HB#
	 ) 2.8 0.6 0.6 volume=626628232.000 peak=841 ppm1=7.574 ppm2=1.488

assign ( resid 11 and name H
	 )
       ( resid 8 and name HG2#
	 ) 4.1 0.8 0.8 volume=58873980.438 peak=842 ppm1=7.573 ppm2=1.293

assign ( resid 93 and name H
	 )
       ( resid 93 and name HD2#
	 ) 2.7 0.5 0.5 volume=706040436.000 peak=843 ppm1=7.631 ppm2=0.792

assign ( resid 93 and name H
	 )
       ( resid 96 and name HG12
	 ) 3.4 0.7 0.7 volume=182781162.000 peak=844 ppm1=7.631 ppm2=1.229

assign ( resid 93 and name H
	 )
       ( resid 93 and name HD1#
	 ) 3.3 0.7 0.7 volume=237162344.125 peak=845 ppm1=7.632 ppm2=1.072

assign ( resid 93 and name H
	 )
       ( resid 90 and name HG2
	 or resid 92 and name HG
	 or resid 94 and name HB2
	 ) 3.4 0.7 0.7 volume=192000351.500 peak=846 ppm1=7.632 ppm2=2.126

assign ( resid 93 and name H
	 )
       ( resid 90 and name HB3
	 or resid 92 and name HB3
	 or resid 94 and name HB2
	 or resid 95 and name HG3
	 ) 2.9 0.6 0.6 volume=480628687.500 peak=847 ppm1=7.629 ppm2=1.958

assign ( resid 93 and name H
	 )
       ( resid 93 and name HB3
	 ) 2.4 0.5 0.5 volume=1366111466.000 peak=848 ppm1=7.632 ppm2=1.824

assign ( resid 93 and name H
	 )
       ( resid 91 and name HB2
	 ) 4.7 0.9 0.9 volume=27934957.000 peak=849 ppm1=7.631 ppm2=3.007

assign ( resid 93 and name H
	 )
       ( resid 94 and name HG3
	 ) 5.2 1.0 1.0 volume=14979153.000 peak=850 ppm1=7.630 ppm2=2.467

assign ( resid 93 and name H
	 )
       ( resid 92 and name HA
	 ) 3.5 0.7 0.7 volume=144345110.250 peak=851 ppm1=7.631 ppm2=3.592

assign ( resid 90 and name H
	 )
       ( resid 88 and name HA
	 ) 4.1 0.8 0.8 volume=59857598.625 peak=852 ppm1=7.805 ppm2=3.418

assign ( resid 90 and name H
	 )
       ( resid 91 and name HB2
	 ) 4.0 0.8 0.8 volume=70910831.125 peak=853 ppm1=7.804 ppm2=3.015

assign ( resid 90 and name H
	 )
       ( resid 88 and name HB
	 ) 5.2 1.0 1.0 volume=15143863.094 peak=854 ppm1=7.807 ppm2=2.335

assign ( resid 90 and name H
	 )
       ( resid 90 and name HG3
	 ) 3.0 0.6 0.6 volume=367972452.500 peak=855 ppm1=7.804 ppm2=2.221

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB2
	 ) 2.5 0.5 0.5 volume=1083968600.000 peak=856 ppm1=7.804 ppm2=2.093

assign ( resid 90 and name H
	 )
       ( resid 87 and name HB#
	 ) 3.7 0.7 0.7 volume=114914441.375 peak=857 ppm1=7.804 ppm2=1.751

assign ( resid 90 and name H
	 )
       ( resid 89 and name HB#
	 ) 2.8 0.6 0.6 volume=610696010.000 peak=858 ppm1=7.804 ppm2=1.401

assign ( resid 90 and name H
	 )
       ( resid 23 and name HG2#
	 ) 4.2 0.8 0.8 volume=50446534.812 peak=859 ppm1=7.806 ppm2=1.254

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 4.1 0.8 0.8 volume=61256707.875 peak=860 ppm1=7.857 ppm2=3.722

assign ( resid 9 and name H
	 )
       ( resid 7 and name HD1#
	 ) 4.4 0.9 0.9 volume=40508328.719 peak=861 ppm1=7.850 ppm2=0.908

assign ( resid 86 and name H
	 )
       ( resid 85 and name HB2
	 ) 2.9 0.6 0.6 volume=517551271.000 peak=862 ppm1=8.466 ppm2=2.038

assign ( resid 86 and name H
	 )
       ( resid 87 and name HB#
	 ) 3.7 0.7 0.7 volume=108279798.000 peak=863 ppm1=8.466 ppm2=1.746

assign ( resid 86 and name H
	 )
       ( resid 88 and name HG2#
	 ) 3.7 0.7 0.7 volume=112146126.000 peak=864 ppm1=8.467 ppm2=1.319

assign ( resid 86 and name H
	 )
       ( resid 27 and name HG2#
	 or resid 45 and name HG2#
	 ) 3.4 0.7 0.7 volume=170214535.500 peak=865 ppm1=8.465 ppm2=1.106

assign ( resid 86 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.6 0.7 0.7 volume=140073682.250 peak=866 ppm1=8.466 ppm2=1.019

assign ( resid 86 and name H
	 )
       ( resid 88 and name HG1#
	 ) 4.6 0.9 0.9 volume=31285964.281 peak=867 ppm1=8.465 ppm2=0.876

assign ( resid 86 and name H
	 )
       ( resid 28 and name HD2#
	 ) 4.2 0.8 0.8 volume=52687267.469 peak=868 ppm1=8.464 ppm2=0.772

assign ( resid 86 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.8 0.6 0.6 volume=623361964.000 peak=869 ppm1=8.467 ppm2=2.872

assign ( resid 86 and name H
	 )
       ( resid 86 and name HB2
	 ) 2.7 0.5 0.5 volume=667407523.000 peak=870 ppm1=8.467 ppm2=2.698

assign ( resid 86 and name H
	 )
       ( resid 85 and name HD3
	 ) 3.7 0.7 0.7 volume=112700757.500 peak=871 ppm1=8.467 ppm2=2.532

assign ( resid 86 and name H
	 )
       ( resid 88 and name HB
	 ) 4.6 0.9 0.9 volume=28688492.781 peak=872 ppm1=8.466 ppm2=2.324

assign ( resid 86 and name H
	 )
       ( resid 85 and name HA
	 ) 3.3 0.7 0.7 volume=232068806.500 peak=873 ppm1=8.467 ppm2=4.071

assign ( resid 86 and name H
	 )
       ( resid 86 and name HA
	 ) 2.8 0.6 0.6 volume=535525656.000 peak=874 ppm1=8.467 ppm2=3.928

assign ( resid 86 and name H
	 )
       ( resid 85 and name HD2
	 ) 3.4 0.7 0.7 volume=187457941.750 peak=875 ppm1=8.466 ppm2=3.797

assign ( resid 86 and name H
	 )
       ( resid 87 and name H
	 ) 3.1 0.6 0.6 volume=338983902.000 peak=877 ppm1=8.467 ppm2=8.223

assign ( resid 86 and name H
	 )
       ( resid 86 and name HD2
	 ) 3.9 0.8 0.8 volume=78480436.625 peak=878 ppm1=8.467 ppm2=6.857

assign ( resid 48 and name H
	 )
       ( resid 49 and name H
	 ) 3.9 0.8 0.8 volume=84664347.062 peak=879 ppm1=8.810 ppm2=8.203

assign ( resid 48 and name H
	 )
       ( resid 48 and name HA
	 ) 3.1 0.6 0.6 volume=347829144.000 peak=881 ppm1=8.810 ppm2=4.659

assign ( resid 48 and name H
	 )
       ( resid 51 and name HB2
	 ) 3.3 0.7 0.7 volume=227967031.250 peak=882 ppm1=8.810 ppm2=2.979

assign ( resid 48 and name H
	 )
       ( resid 51 and name HB3
	 ) 3.5 0.7 0.7 volume=154416406.250 peak=883 ppm1=8.810 ppm2=2.833

assign ( resid 48 and name H
	 )
       ( resid 47 and name HG3
	 ) 3.4 0.7 0.7 volume=189664612.750 peak=884 ppm1=8.810 ppm2=2.371

assign ( resid 48 and name H
	 )
       ( resid 47 and name HB2
	 ) 3.1 0.6 0.6 volume=321487252.000 peak=885 ppm1=8.810 ppm2=2.051

assign ( resid 48 and name H
	 )
       ( resid 47 and name HB3
	 ) 3.3 0.7 0.7 volume=210337437.250 peak=886 ppm1=8.810 ppm2=1.932

assign ( resid 48 and name H
	 )
       ( resid 52 and name HD1#
	 or resid 84 and name HG2#
	 ) 3.4 0.7 0.7 volume=196285820.000 peak=887 ppm1=8.811 ppm2=1.006

assign ( resid 35 and name H
	 )
       ( resid 37 and name HD#
	 ) 4.3 0.9 0.9 volume=43740539.031 peak=888 ppm1=7.617 ppm2=7.032

assign ( resid 94 and name H
	 )
       ( resid 92 and name HA
	 ) 4.0 0.8 0.8 volume=73215425.750 peak=889 ppm1=7.567 ppm2=3.598

assign ( resid 94 and name H
	 )
       ( resid 95 and name HE22
	 ) 5.3 1.1 1.1 volume=13229671.648 peak=891 ppm1=7.566 ppm2=6.335

assign ( resid 94 and name H
	 )
       ( resid 92 and name H
	 ) 4.3 0.9 0.9 volume=47138131.594 peak=892 ppm1=7.565 ppm2=8.410

assign ( resid 81 and name H
	 )
       ( resid 82 and name H
	 ) 2.7 0.5 0.5 volume=604457951.250 peak=893 ppm1=7.975 ppm2=7.670

assign ( resid 25 and name H
	 )
       ( resid 24 and name H
	 ) 2.9 0.6 0.6 volume=453028356.000 peak=894 ppm1=7.648 ppm2=8.535

assign ( resid 82 and name H
	 )
       ( resid 82 and name HD2
	 ) 3.2 0.6 0.6 volume=254680114.500 peak=895 ppm1=7.662 ppm2=6.683

assign ( resid 82 and name H
	 )
       ( resid 83 and name HD2
	 or resid 88 and name HA
	 ) 3.5 0.7 0.7 volume=159771846.250 peak=896 ppm1=7.662 ppm2=3.432

assign ( resid 25 and name H
	 )
       ( resid 25 and name HA
	 ) 2.8 0.6 0.6 volume=561619276.500 peak=897 ppm1=7.649 ppm2=3.980

assign ( resid 25 and name H
	 )
       ( resid 22 and name HA
	 ) 3.0 0.6 0.6 volume=406278419.500 peak=898 ppm1=7.649 ppm2=3.721

assign ( resid 82 and name H
	 )
       ( resid 81 and name HA
	 ) 3.1 0.6 0.6 volume=303006731.000 peak=899 ppm1=7.657 ppm2=4.109

assign ( resid 82 and name H
	 )
       ( resid 79 and name HA
	 ) 3.3 0.7 0.7 volume=215706514.875 peak=900 ppm1=7.661 ppm2=3.847

assign ( resid 82 and name H
	 )
       ( resid 80 and name HB2
	 ) 4.4 0.9 0.9 volume=38447761.844 peak=901 ppm1=7.661 ppm2=2.878

assign ( resid 82 and name H
	 )
       ( resid 80 and name HA
	 ) 4.2 0.8 0.8 volume=53366735.500 peak=902 ppm1=7.663 ppm2=4.528

assign ( resid 25 and name H
	 )
       ( resid 25 and name HG2
	 ) 3.2 0.6 0.6 volume=243767123.250 peak=903 ppm1=7.648 ppm2=1.519

assign ( resid 82 and name H
	 )
       ( resid 88 and name HG2#
	 ) 3.2 0.6 0.6 volume=282760111.000 peak=904 ppm1=7.658 ppm2=1.326

assign ( resid 25 and name H
	 )
       ( resid 24 and name HB2
	 or resid 25 and name HB3
	 ) 2.4 0.5 0.5 volume=1424073482.000 peak=905 ppm1=7.649 ppm2=1.911

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB2
	 ) 2.7 0.5 0.5 volume=778433112.000 peak=906 ppm1=7.662 ppm2=2.353

assign ( resid 25 and name H
	 )
       ( resid 26 and name HA
	 ) 4.4 0.9 0.9 volume=41568597.797 peak=907 ppm1=7.649 ppm2=4.339

assign ( resid 99 and name H
	 )
       ( resid 97 and name HA
	 ) 3.9 0.8 0.8 volume=75220748.750 peak=908 ppm1=7.735 ppm2=4.487

assign ( resid 99 and name H
	 )
       ( resid 99 and name HA
	 ) 3.1 0.6 0.6 volume=299640862.625 peak=909 ppm1=7.735 ppm2=4.347

assign ( resid 99 and name H
	 )
       ( resid 98 and name HA2
	 ) 2.8 0.6 0.6 volume=534521389.500 peak=910 ppm1=7.734 ppm2=3.966

assign ( resid 99 and name H
	 )
       ( resid 99 and name HG13
	 ) 3.2 0.6 0.6 volume=262993308.250 peak=911 ppm1=7.736 ppm2=1.428

assign ( resid 99 and name H
	 )
       ( resid 99 and name HB
	 ) 2.9 0.6 0.6 volume=468999861.000 peak=912 ppm1=7.735 ppm2=1.950

assign ( resid 99 and name H
	 )
       ( resid 99 and name HG12
	 ) 2.9 0.6 0.6 volume=432775961.750 peak=913 ppm1=7.734 ppm2=1.207

assign ( resid 99 and name H
	 )
       ( resid 99 and name HG2#
	 ) 3.1 0.6 0.6 volume=321655199.000 peak=914 ppm1=7.735 ppm2=0.895

assign ( resid 100 and name H
	 )
       ( resid 99 and name HG13
	 ) 3.8 0.8 0.8 volume=87341011.625 peak=915 ppm1=8.125 ppm2=1.438

assign ( resid 100 and name H
	 )
       ( resid 99 and name HG12
	 ) 4.2 0.8 0.8 volume=54637913.969 peak=916 ppm1=8.124 ppm2=1.208

assign ( resid 100 and name H
	 )
       ( resid 99 and name HB
	 ) 3.2 0.6 0.6 volume=253716086.000 peak=917 ppm1=8.125 ppm2=1.950

assign ( resid 100 and name H
	 )
       ( resid 98 and name HA2
	 ) 4.7 0.9 0.9 volume=25048258.375 peak=918 ppm1=8.126 ppm2=3.980

assign ( resid 100 and name H
	 )
       ( resid 100 and name HA3
	 or resid 100 and name HA2
	 ) 2.7 0.5 0.5 volume=666370884.000 peak=919 ppm1=8.125 ppm2=3.784

assign ( resid 68 and name H
	 )
       ( resid 69 and name H
	 ) 2.8 0.6 0.6 volume=592254961.500 peak=922 ppm1=8.258 ppm2=7.990

assign ( resid 68 and name H
	 )
       ( resid 66 and name H
	 ) 4.2 0.8 0.8 volume=50228250.344 peak=923 ppm1=8.259 ppm2=8.731

assign ( resid 68 and name H
	 )
       ( resid 68 and name HB
	 ) 2.5 0.5 0.5 volume=1056068795.000 peak=924 ppm1=8.258 ppm2=4.285

assign ( resid 68 and name H
	 )
       ( resid 67 and name HA
	 ) 3.4 0.7 0.7 volume=174122251.250 peak=925 ppm1=8.261 ppm2=4.150

assign ( resid 68 and name H
	 )
       ( resid 68 and name HA
	 ) 2.8 0.6 0.6 volume=618496144.000 peak=926 ppm1=8.258 ppm2=3.952

assign ( resid 68 and name H
	 )
       ( resid 65 and name HA
	 ) 3.3 0.7 0.7 volume=219030744.750 peak=927 ppm1=8.257 ppm2=4.500

assign ( resid 68 and name H
	 )
       ( resid 67 and name HG3
	 ) 3.9 0.8 0.8 volume=83415979.500 peak=928 ppm1=8.260 ppm2=2.865

assign ( resid 68 and name H
	 )
       ( resid 67 and name HG2
	 ) 2.9 0.6 0.6 volume=451378891.500 peak=929 ppm1=8.258 ppm2=2.543

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB3
	 ) 3.1 0.6 0.6 volume=318259154.000 peak=930 ppm1=8.258 ppm2=2.280

assign ( resid 68 and name H
	 )
       ( resid 26 and name HD2#
	 or resid 66 and name HD2#
	 or resid 74 and name HD2#
	 ) 3.7 0.7 0.7 volume=110187324.875 peak=931 ppm1=8.259 ppm2=0.795

assign ( resid 68 and name H
	 )
       ( resid 69 and name HB#
	 ) 3.5 0.7 0.7 volume=153197649.000 peak=932 ppm1=8.258 ppm2=1.535

assign ( resid 68 and name H
	 )
       ( resid 68 and name HG2#
	 ) 3.0 0.6 0.6 volume=376096854.250 peak=933 ppm1=8.258 ppm2=1.265

assign ( resid 92 and name H
	 )
       ( resid 91 and name HB2
	 ) 3.1 0.6 0.6 volume=352712964.250 peak=934 ppm1=8.407 ppm2=3.013

assign ( resid 92 and name H
	 )
       ( resid 89 and name HA
	 ) 3.3 0.7 0.7 volume=222686958.000 peak=935 ppm1=8.407 ppm2=3.806

assign ( resid 92 and name H
	 )
       ( resid 92 and name HA
	 ) 3.0 0.6 0.6 volume=386464400.500 peak=936 ppm1=8.407 ppm2=3.594

assign ( resid 92 and name H
	 )
       ( resid 88 and name HA
	 ) 3.7 0.7 0.7 volume=110421401.000 peak=937 ppm1=8.407 ppm2=3.419

assign ( resid 92 and name H
	 )
       ( resid 89 and name HB#
	 ) 4.0 0.8 0.8 volume=70564613.625 peak=938 ppm1=8.407 ppm2=1.392

assign ( resid 92 and name H
	 )
       ( resid 23 and name HG2#
	 ) 3.7 0.7 0.7 volume=108599468.125 peak=939 ppm1=8.406 ppm2=1.235

assign ( resid 92 and name H
	 )
       ( resid 92 and name HD1#
	 ) 3.0 0.6 0.6 volume=387960290.250 peak=940 ppm1=8.407 ppm2=1.072

assign ( resid 92 and name H
	 )
       ( resid 92 and name HB2
	 ) 3.4 0.7 0.7 volume=186568320.750 peak=941 ppm1=8.405 ppm2=0.903

assign ( resid 92 and name H
	 )
       ( resid 92 and name HD2#
	 ) 2.7 0.5 0.5 volume=686917699.000 peak=942 ppm1=8.407 ppm2=0.756

assign ( resid 92 and name H
	 )
       ( resid 92 and name HB3
	 ) 2.8 0.6 0.6 volume=574465789.000 peak=943 ppm1=8.407 ppm2=1.960

assign ( resid 92 and name H
	 )
       ( resid 91 and name HA
	 ) 3.5 0.7 0.7 volume=163780065.250 peak=944 ppm1=8.407 ppm2=4.230

assign ( resid 92 and name H
	 )
       ( resid 91 and name HD2
	 ) 3.8 0.8 0.8 volume=87553487.594 peak=945 ppm1=8.407 ppm2=6.176

assign ( resid 92 and name H
	 )
       ( resid 91 and name H
	 ) 2.9 0.6 0.6 volume=528151818.000 peak=946 ppm1=8.407 ppm2=7.720

assign ( resid 62 and name H
	 )
       ( resid 54 and name HD#
	 ) 4.1 0.8 0.8 volume=56536460.480 peak=948 ppm1=8.432 ppm2=7.386

assign ( resid 46 and name H
	 )
       ( resid 46 and name HD2
	 ) 4.4 0.9 0.9 volume=39895955.062 peak=949 ppm1=8.449 ppm2=6.947

assign ( resid 62 and name H
	 )
       ( resid 61 and name HG2
	 ) 4.3 0.9 0.9 volume=45099985.508 peak=950 ppm1=8.432 ppm2=2.425

assign ( resid 75 and name H
	 )
       ( resid 74 and name HD2#
	 ) 4.6 0.9 0.9 volume=31556801.812 peak=951 ppm1=8.986 ppm2=0.807

assign ( resid 30 and name H
	 )
       ( resid 29 and name HA
	 ) 3.2 0.6 0.6 volume=246823362.438 peak=953 ppm1=8.241 ppm2=4.355

assign ( resid 30 and name H
	 )
       ( resid 30 and name HA
	 ) 2.9 0.6 0.6 volume=489945655.000 peak=954 ppm1=8.241 ppm2=4.141

assign ( resid 30 and name H
	 )
       ( resid 27 and name HA
	 ) 3.6 0.7 0.7 volume=138201991.375 peak=955 ppm1=8.241 ppm2=3.439

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB3
	 ) 3.0 0.6 0.6 volume=362846181.500 peak=956 ppm1=8.241 ppm2=2.957

assign ( resid 30 and name H
	 )
       ( resid 30 and name HG3
	 ) 2.8 0.6 0.6 volume=537364226.750 peak=957 ppm1=8.241 ppm2=2.803

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB2
	 ) 3.2 0.6 0.6 volume=277935381.500 peak=958 ppm1=8.241 ppm2=2.606

assign ( resid 30 and name H
	 )
       ( resid 30 and name HB2
	 ) 2.6 0.5 0.5 volume=982746863.000 peak=959 ppm1=8.241 ppm2=2.017

assign ( resid 30 and name H
	 )
       ( resid 31 and name HB#
	 ) 3.4 0.7 0.7 volume=179424491.750 peak=960 ppm1=8.241 ppm2=1.668

assign ( resid 30 and name H
	 )
       ( resid 27 and name HG1#
	 ) 4.1 0.8 0.8 volume=57341423.250 peak=961 ppm1=8.241 ppm2=1.127

assign ( resid 30 and name H
	 )
       ( resid 62 and name HD1#
	 ) 3.3 0.7 0.7 volume=230798926.750 peak=962 ppm1=8.241 ppm2=0.895

assign ( resid 30 and name H
	 )
       ( resid 26 and name HD2#
	 ) 3.4 0.7 0.7 volume=186852260.625 peak=963 ppm1=8.241 ppm2=0.771

assign ( resid 30 and name H
	 )
       ( resid 32 and name HB#
	 or resid 69 and name HB#
	 ) 3.8 0.8 0.8 volume=91028743.250 peak=964 ppm1=8.240 ppm2=1.528

assign ( resid 29 and name H
	 )
       ( resid 33 and name H
	 ) 4.5 0.9 0.9 volume=34778988.250 peak=966 ppm1=9.235 ppm2=7.663

assign ( resid 29 and name H
	 )
       ( resid 30 and name HE22
	 ) 4.9 1.0 1.0 volume=19463717.188 peak=967 ppm1=9.239 ppm2=7.074

assign ( resid 29 and name H
	 )
       ( resid 30 and name HA
	 ) 4.3 0.9 0.9 volume=44175136.125 peak=968 ppm1=9.236 ppm2=4.149

assign ( resid 19 and name H
	 )
       ( resid 17 and name HG2#
	 ) 4.4 0.9 0.9 volume=41088637.812 peak=969 ppm1=9.102 ppm2=1.308

assign ( resid 19 and name H
	 )
       ( resid 22 and name HG2#
	 ) 4.5 0.9 0.9 volume=36397717.984 peak=970 ppm1=9.102 ppm2=1.087

assign ( resid 32 and name H
	 )
       ( resid 54 and name HZ
	 ) 4.4 0.9 0.9 volume=40856801.844 peak=975 ppm1=8.734 ppm2=7.349

assign ( resid 66 and name H
	 )
       ( resid 65 and name HD2
	 ) 4.7 0.9 0.9 volume=27909801.750 peak=977 ppm1=8.729 ppm2=7.223

assign ( resid 32 and name H
	 )
       ( resid 37 and name HD#
	 ) 4.1 0.8 0.8 volume=56923583.500 peak=978 ppm1=8.734 ppm2=7.028

assign ( resid 66 and name H
	 )
       ( resid 65 and name HA
	 ) 3.5 0.7 0.7 volume=167912775.000 peak=979 ppm1=8.732 ppm2=4.498

assign ( resid 66 and name H
	 )
       ( resid 66 and name HA
	 ) 2.8 0.6 0.6 volume=557885981.000 peak=980 ppm1=8.732 ppm2=4.135

assign ( resid 32 and name H
	 )
       ( resid 29 and name HA
	 ) 3.3 0.7 0.7 volume=238631150.250 peak=981 ppm1=8.734 ppm2=4.351

assign ( resid 32 and name H
	 )
       ( resid 28 and name HA
	 ) 3.3 0.7 0.7 volume=203370994.000 peak=982 ppm1=8.735 ppm2=4.025

assign ( resid 32 and name H
	 )
       ( resid 32 and name HA
	 ) 2.8 0.6 0.6 volume=536591225.750 peak=983 ppm1=8.735 ppm2=3.870

assign ( resid 32 and name H
	 )
       ( resid 37 and name HB2
	 ) 3.9 0.8 0.8 volume=85095476.500 peak=984 ppm1=8.730 ppm2=2.936

assign ( resid 32 and name H
	 )
       ( resid 31 and name HB#
	 ) 2.7 0.5 0.5 volume=689634395.000 peak=985 ppm1=8.735 ppm2=1.674

assign ( resid 32 and name H
	 )
       ( resid 32 and name HB#
	 ) 2.4 0.5 0.5 volume=1534211390.000 peak=986 ppm1=8.735 ppm2=1.523

assign ( resid 32 and name H
	 )
       ( resid 40 and name HG2#
	 ) 3.4 0.7 0.7 volume=180414513.750 peak=987 ppm1=8.735 ppm2=1.279

assign ( resid 66 and name H
	 )
       ( resid 66 and name HD1#
	 ) 3.0 0.6 0.6 volume=421778243.750 peak=988 ppm1=8.732 ppm2=1.072

assign ( resid 66 and name H
	 )
       ( resid 66 and name HD2#
	 ) 2.7 0.5 0.5 volume=691738566.000 peak=989 ppm1=8.732 ppm2=0.768

assign ( resid 66 and name H
	 )
       ( resid 62 and name HD2#
	 ) 4.3 0.9 0.9 volume=44682429.500 peak=990 ppm1=8.734 ppm2=0.247

assign ( resid 32 and name H
	 )
       ( resid 43 and name HD2#
	 ) 2.9 0.6 0.6 volume=505639716.000 peak=991 ppm1=8.735 ppm2=0.884

assign ( resid 32 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.2 0.8 0.8 volume=51833308.000 peak=992 ppm1=8.736 ppm2=0.627

assign ( resid 32 and name H
	 )
       ( resid 35 and name HD1#
	 ) 5.1 1.0 1.0 volume=15720803.750 peak=993 ppm1=8.733 ppm2=0.111

assign ( resid 66 and name H
	 )
       ( resid 66 and name HB3
	 ) 2.7 0.5 0.5 volume=665254262.750 peak=994 ppm1=8.731 ppm2=2.022

assign ( resid 66 and name H
	 )
       ( resid 67 and name HG2
	 ) 4.0 0.8 0.8 volume=65852408.625 peak=995 ppm1=8.733 ppm2=2.557

assign ( resid 66 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.1 0.6 0.6 volume=325676733.250 peak=996 ppm1=8.732 ppm2=3.190

assign ( resid 66 and name H
	 )
       ( resid 65 and name HB2
	 ) 3.1 0.6 0.6 volume=336746741.500 peak=997 ppm1=8.732 ppm2=3.592

assign ( resid 73 and name H
	 )
       ( resid 73 and name HD21
	 ) 4.9 1.0 1.0 volume=19748059.344 peak=998 ppm1=8.458 ppm2=6.925

assign ( resid 22 and name H
	 )
       ( resid 25 and name HB3
	 ) 3.5 0.7 0.7 volume=143409094.250 peak=999 ppm1=8.487 ppm2=1.889

assign ( resid 28 and name H
	 )
       ( resid 29 and name HB2
	 ) 4.7 0.9 0.9 volume=26183273.812 peak=1000 ppm1=8.353 ppm2=2.606

assign ( resid 28 and name H
	 )
       ( resid 89 and name HB#
	 ) 4.2 0.8 0.8 volume=52819444.250 peak=1001 ppm1=8.354 ppm2=1.444

assign ( resid 7 and name H
	 )
       ( resid 8 and name HA
	 ) 4.4 0.9 0.9 volume=40194292.750 peak=1002 ppm1=8.287 ppm2=3.721

assign ( resid 52 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.5 0.9 0.9 volume=34674404.496 peak=1003 ppm1=8.152 ppm2=0.624

assign ( resid 52 and name H
	 )
       ( resid 80 and name HE#
	 ) 4.0 0.8 0.8 volume=73902558.625 peak=1004 ppm1=8.149 ppm2=7.213

assign ( resid 52 and name H
	 )
       ( resid 49 and name HD#
	 ) 3.9 0.8 0.8 volume=83895522.125 peak=1005 ppm1=8.156 ppm2=6.929

assign ( resid 54 and name H
	 )
       ( resid 53 and name H
	 ) 2.5 0.5 0.5 volume=724629428.500 peak=1006 ppm1=8.105 ppm2=7.745

assign ( resid 54 and name H
	 )
       ( resid 54 and name HD#
	 ) 2.7 0.5 0.5 volume=696984962.750 peak=1007 ppm1=8.105 ppm2=7.395

assign ( resid 54 and name H
	 )
       ( resid 54 and name HE#
	 ) 3.8 0.8 0.8 volume=91323984.250 peak=1008 ppm1=8.105 ppm2=7.224

assign ( resid 54 and name H
	 )
       ( resid 49 and name HD#
	 ) 4.1 0.8 0.8 volume=61603694.938 peak=1009 ppm1=8.110 ppm2=6.927

assign ( resid 54 and name H
	 )
       ( resid 54 and name HA
	 ) 3.0 0.6 0.6 volume=410442126.000 peak=1010 ppm1=8.104 ppm2=4.104

assign ( resid 54 and name H
	 )
       ( resid 53 and name HA3
	 ) 3.2 0.6 0.6 volume=256915251.125 peak=1011 ppm1=8.104 ppm2=3.815

assign ( resid 37 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.6 0.9 0.9 volume=30335926.188 peak=1012 ppm1=8.173 ppm2=0.115

assign ( resid 81 and name H
	 )
       ( resid 79 and name HG12
	 ) 5.0 1.0 1.0 volume=17732934.609 peak=1013 ppm1=7.975 ppm2=0.124

assign ( resid 57 and name H
	 )
       ( resid 60 and name H
	 ) 4.4 0.9 0.9 volume=25963041.465 peak=1014 ppm1=8.320 ppm2=7.224

assign ( resid 61 and name H
	 )
       ( resid 57 and name HA
	 ) 4.0 0.8 0.8 volume=74427000.375 peak=1015 ppm1=7.643 ppm2=4.475

assign ( resid 72 and name H
	 )
       ( resid 67 and name HG2
	 ) 4.3 0.9 0.9 volume=45824398.750 peak=1016 ppm1=7.701 ppm2=2.602

assign ( resid 91 and name H
	 )
       ( resid 92 and name HA
	 ) 4.5 0.9 0.9 volume=35928188.750 peak=1017 ppm1=7.713 ppm2=3.596

assign ( resid 91 and name H
	 )
       ( resid 87 and name HB#
	 ) 4.0 0.8 0.8 volume=72567753.000 peak=1018 ppm1=7.711 ppm2=1.752

assign ( resid 26 and name H
	 )
       ( resid 27 and name HA
	 ) 4.4 0.9 0.9 volume=38637197.344 peak=1019 ppm1=7.768 ppm2=3.445

assign ( resid 29 and name H
	 )
       ( resid 26 and name H
	 ) 4.5 0.9 0.9 volume=25461693.359 peak=1020 ppm1=9.234 ppm2=7.781

assign ( resid 10 and name H
	 )
       ( resid 12 and name H
	 ) 3.8 0.8 0.8 volume=92691208.250 peak=1021 ppm1=7.696 ppm2=7.322

assign ( resid 10 and name H
	 )
       ( resid 8 and name HA
	 ) 4.1 0.8 0.8 volume=61626392.000 peak=1023 ppm1=7.698 ppm2=3.717

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.8 0.6 0.6 volume=620659879.000 peak=1024 ppm1=7.697 ppm2=4.228

assign ( resid 10 and name H
	 )
       ( resid 9 and name HB2
	 ) 3.1 0.6 0.6 volume=299357384.500 peak=1025 ppm1=7.698 ppm2=3.993

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB2
	 ) 2.6 0.5 0.5 volume=885779587.000 peak=1026 ppm1=7.697 ppm2=1.940

assign ( resid 10 and name H
	 )
       ( resid 8 and name HG2#
	 ) 4.7 0.9 0.9 volume=26945028.473 peak=1027 ppm1=7.706 ppm2=1.264

assign ( resid 10 and name H
	 )
       ( resid 10 and name HG2
	 or resid 11 and name HB3
	 or resid 12 and name HB#
	 ) 3.3 0.7 0.7 volume=203053972.820 peak=1028 ppm1=7.697 ppm2=1.477

assign ( resid 10 and name H
	 )
       ( resid 7 and name HD1#
	 ) 3.6 0.7 0.7 volume=126615968.375 peak=1029 ppm1=7.697 ppm2=0.905

assign ( resid 10 and name H
	 )
       ( resid 11 and name HD2#
	 ) 4.0 0.8 0.8 volume=68463275.375 peak=1030 ppm1=7.698 ppm2=0.760

assign ( resid 21 and name H
	 )
       ( resid 24 and name HD2
	 ) 4.7 0.9 0.9 volume=26160716.188 peak=1031 ppm1=7.682 ppm2=3.031

assign ( resid 47 and name H
	 )
       ( resid 45 and name HB
	 ) 4.7 0.9 0.9 volume=27994489.938 peak=1032 ppm1=7.481 ppm2=4.059

assign ( resid 47 and name H
	 )
       ( resid 45 and name HG2#
	 ) 4.5 0.9 0.9 volume=32402478.781 peak=1033 ppm1=7.479 ppm2=1.085

assign ( resid 12 and name H
	 )
       ( resid 14 and name HD1#
	 or resid 96 and name HG2#
	 or resid 99 and name HG2#
	 ) 3.4 0.7 0.7 volume=183413620.750 peak=1034 ppm1=7.316 ppm2=0.893

assign ( resid 12 and name H
	 )
       ( resid 11 and name HD2#
	 ) 3.4 0.7 0.7 volume=187496726.250 peak=1035 ppm1=7.316 ppm2=0.763

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB#
	 ) 2.3 0.5 0.5 volume=2071263364.000 peak=1036 ppm1=7.316 ppm2=1.457

assign ( resid 12 and name H
	 )
       ( resid 10 and name HB2
	 ) 3.3 0.7 0.7 volume=220733190.750 peak=1037 ppm1=7.316 ppm2=1.924

assign ( resid 12 and name H
	 )
       ( resid 11 and name HB2
	 ) 3.3 0.7 0.7 volume=230864864.500 peak=1038 ppm1=7.316 ppm2=1.779

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 2.9 0.6 0.6 volume=432033368.000 peak=1039 ppm1=7.316 ppm2=4.320

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.7 0.5 0.5 volume=697500856.500 peak=1040 ppm1=7.316 ppm2=4.123

assign ( resid 12 and name H
	 )
       ( resid 13 and name HA3
	 ) 5.2 1.0 1.0 volume=13915319.781 peak=1041 ppm1=7.315 ppm2=3.851

assign ( resid 12 and name H
	 )
       ( resid 8 and name HA
	 ) 3.9 0.8 0.8 volume=83695443.875 peak=1042 ppm1=7.317 ppm2=3.717

assign ( resid 12 and name H
	 )
       ( resid 13 and name H
	 ) 4.4 0.9 0.9 volume=37684793.180 peak=1045 ppm1=7.318 ppm2=8.672

assign ( resid 43 and name H
	 )
       ( resid 44 and name HB2
	 ) 5.1 1.0 1.0 volume=16409120.938 peak=1046 ppm1=7.851 ppm2=2.645

assign ( resid 43 and name H
	 )
       ( resid 41 and name HG3
	 ) 5.2 1.0 1.0 volume=15055072.406 peak=1047 ppm1=7.853 ppm2=2.279

assign ( resid 43 and name H
	 )
       ( resid 40 and name HG2#
	 ) 4.8 1.0 1.0 volume=24278670.430 peak=1048 ppm1=7.852 ppm2=1.281

assign ( resid 58 and name H
	 )
       ( resid 55 and name H
	 ) 3.1 0.6 0.6 volume=303384688.000 peak=1049 ppm1=8.925 ppm2=8.103

assign ( resid 55 and name H
	 )
       ( resid 54 and name HD#
	 ) 3.4 0.7 0.7 volume=190372773.750 peak=1050 ppm1=8.101 ppm2=7.393

assign ( resid 55 and name H
	 )
       ( resid 60 and name H
	 ) 4.2 0.8 0.8 volume=54466052.062 peak=1051 ppm1=8.101 ppm2=7.228

assign ( resid 55 and name H
	 )
       ( resid 54 and name HA
	 ) 2.4 0.5 0.5 volume=1575401874.000 peak=1052 ppm1=8.101 ppm2=4.103

assign ( resid 55 and name H
	 )
       ( resid 59 and name HA
	 ) 4.8 1.0 1.0 volume=23615419.375 peak=1053 ppm1=8.102 ppm2=3.850

assign ( resid 55 and name H
	 )
       ( resid 55 and name HB3
	 ) 3.5 0.7 0.7 volume=158883460.250 peak=1054 ppm1=8.101 ppm2=3.284

assign ( resid 55 and name H
	 )
       ( resid 54 and name HB3
	 ) 2.9 0.6 0.6 volume=506451156.000 peak=1055 ppm1=8.100 ppm2=2.687

assign ( resid 55 and name H
	 )
       ( resid 57 and name HB2
	 ) 4.6 0.9 0.9 volume=31063306.875 peak=1056 ppm1=8.104 ppm2=2.043

assign ( resid 55 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.8 0.8 0.8 volume=92874770.125 peak=1057 ppm1=8.100 ppm2=1.408

assign ( resid 55 and name H
	 )
       ( resid 58 and name HG2#
	 ) 3.7 0.7 0.7 volume=112513076.000 peak=1058 ppm1=8.100 ppm2=1.245

assign ( resid 55 and name H
	 )
       ( resid 57 and name HD1#
	 ) 4.4 0.9 0.9 volume=40136346.562 peak=1059 ppm1=8.104 ppm2=1.009

assign ( resid 55 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.2 0.8 0.8 volume=49549541.875 peak=1060 ppm1=8.101 ppm2=0.114

assign ( resid 55 and name H
	 )
       ( resid 79 and name HD1#
	 ) 4.3 0.9 0.9 volume=44308029.344 peak=1061 ppm1=8.101 ppm2=0.002

assign ( resid 87 and name H
	 )
       ( resid 82 and name HB3
	 ) 4.8 1.0 1.0 volume=22624357.328 peak=1062 ppm1=8.215 ppm2=3.112

assign ( resid 87 and name H
	 )
       ( resid 85 and name HD2
	 ) 4.3 0.9 0.9 volume=46689774.500 peak=1063 ppm1=8.215 ppm2=3.803

assign ( resid 87 and name H
	 )
       ( resid 49 and name HE#
	 ) 4.8 1.0 1.0 volume=22630260.344 peak=1064 ppm1=8.213 ppm2=6.998

assign ( resid 44 and name H
	 )
       ( resid 47 and name H
	 ) 4.2 0.8 0.8 volume=52037144.125 peak=1065 ppm1=8.257 ppm2=7.491

assign ( resid 44 and name H
	 )
       ( resid 43 and name HA
	 ) 2.5 0.5 0.5 volume=1311500145.000 peak=1066 ppm1=8.255 ppm2=4.495

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB2
	 ) 2.8 0.6 0.6 volume=606900022.500 peak=1067 ppm1=8.255 ppm2=2.773

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB3
	 ) 2.8 0.6 0.6 volume=604232955.750 peak=1068 ppm1=8.255 ppm2=2.635

assign ( resid 44 and name H
	 )
       ( resid 43 and name HD1#
	 ) 3.2 0.6 0.6 volume=276258186.500 peak=1069 ppm1=8.254 ppm2=0.829

assign ( resid 57 and name H
	 )
       ( resid 57 and name HB3
	 or resid 57 and name HG
	 ) 2.6 0.5 0.5 volume=941669450.000 peak=1070 ppm1=8.319 ppm2=1.748

assign ( resid 57 and name H
	 )
       ( resid 59 and name HB#
	 ) 4.0 0.8 0.8 volume=72905205.656 peak=1071 ppm1=8.318 ppm2=1.416

assign ( resid 41 and name H
	 )
       ( resid 40 and name HG2#
	 ) 3.6 0.7 0.7 volume=126113348.000 peak=1072 ppm1=8.326 ppm2=1.258

assign ( resid 57 and name H
	 )
       ( resid 57 and name HD1#
	 ) 3.3 0.7 0.7 volume=240711970.500 peak=1073 ppm1=8.319 ppm2=0.990

assign ( resid 41 and name H
	 )
       ( resid 37 and name HB3
	 ) 3.8 0.8 0.8 volume=96972849.500 peak=1074 ppm1=8.320 ppm2=3.288

assign ( resid 41 and name H
	 )
       ( resid 39 and name HB2
	 ) 3.8 0.8 0.8 volume=88984542.750 peak=1076 ppm1=8.337 ppm2=3.847

assign ( resid 89 and name H
	 )
       ( resid 89 and name HB#
	 ) 2.4 0.5 0.5 volume=1529503082.000 peak=1077 ppm1=8.512 ppm2=1.398

assign ( resid 89 and name H
	 )
       ( resid 92 and name HD1#
	 ) 3.0 0.6 0.6 volume=409541954.000 peak=1078 ppm1=8.514 ppm2=1.095

assign ( resid 89 and name H
	 )
       ( resid 88 and name HG1#
	 ) 3.1 0.6 0.6 volume=339902073.000 peak=1079 ppm1=8.514 ppm2=0.896

assign ( resid 89 and name H
	 )
       ( resid 92 and name HD2#
	 ) 3.3 0.7 0.7 volume=221379244.750 peak=1080 ppm1=8.520 ppm2=0.764

assign ( resid 89 and name H
	 )
       ( resid 88 and name HB
	 ) 2.8 0.6 0.6 volume=607176460.000 peak=1081 ppm1=8.510 ppm2=2.313

assign ( resid 89 and name H
	 )
       ( resid 90 and name HG2
	 ) 3.5 0.7 0.7 volume=160395368.000 peak=1082 ppm1=8.513 ppm2=2.071

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB2
	 ) 2.6 0.5 0.5 volume=856998678.000 peak=1083 ppm1=8.532 ppm2=1.914

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB3
	 ) 2.5 0.5 0.5 volume=1039814684.000 peak=1084 ppm1=8.532 ppm2=1.781

assign ( resid 89 and name H
	 )
       ( resid 88 and name HA
	 ) 3.5 0.7 0.7 volume=168146991.500 peak=1085 ppm1=8.511 ppm2=3.419

assign ( resid 24 and name H
	 )
       ( resid 24 and name HD2
	 or resid 24 and name HD3
	 ) 3.4 0.7 0.7 volume=195561442.750 peak=1086 ppm1=8.530 ppm2=3.036

assign ( resid 89 and name H
	 )
       ( resid 86 and name HA
	 ) 3.2 0.6 0.6 volume=249170279.250 peak=1087 ppm1=8.515 ppm2=3.928

assign ( resid 24 and name H
	 )
       ( resid 23 and name HA
	 ) 2.7 0.5 0.5 volume=770330388.000 peak=1088 ppm1=8.531 ppm2=4.107

assign ( resid 24 and name H
	 )
       ( resid 24 and name HA
	 ) 2.6 0.5 0.5 volume=863926350.000 peak=1089 ppm1=8.535 ppm2=3.750

assign ( resid 89 and name H
	 )
       ( resid 49 and name HZ
	 ) 4.4 0.9 0.9 volume=40068334.250 peak=1090 ppm1=8.513 ppm2=6.593

assign ( resid 24 and name H
	 )
       ( resid 21 and name HB#
	 ) 3.9 0.8 0.8 volume=75894963.375 peak=1091 ppm1=8.535 ppm2=1.570

assign ( resid 64 and name H
	 )
       ( resid 62 and name HA
	 ) 4.4 0.9 0.9 volume=40587627.906 peak=1092 ppm1=8.737 ppm2=4.027

assign ( resid 64 and name H
	 )
       ( resid 67 and name HE22
	 ) 4.8 1.0 1.0 volume=23237760.859 peak=1093 ppm1=8.739 ppm2=6.818

assign ( resid 64 and name H
	 )
       ( resid 67 and name HE21
	 ) 4.7 0.9 0.9 volume=28046167.188 peak=1094 ppm1=8.737 ppm2=7.372

assign ( resid 64 and name H
	 )
       ( resid 62 and name HD2#
	 ) 5.1 1.0 1.0 volume=16808456.250 peak=1095 ppm1=8.739 ppm2=0.247

assign ( resid 31 and name H
	 )
       ( resid 35 and name HD2#
	 ) 5.2 1.0 1.0 volume=14645874.312 peak=1096 ppm1=8.860 ppm2=0.626

assign ( resid 31 and name H
	 )
       ( resid 29 and name HB3
	 ) 4.5 0.9 0.9 volume=34041126.875 peak=1097 ppm1=8.861 ppm2=2.952

assign ( resid 31 and name H
	 )
       ( resid 32 and name HA
	 ) 4.7 0.9 0.9 volume=27541202.844 peak=1098 ppm1=8.860 ppm2=3.852

assign ( resid 31 and name H
	 )
       ( resid 49 and name HE#
	 ) 4.4 0.9 0.9 volume=41707909.000 peak=1099 ppm1=8.860 ppm2=7.024

assign ( resid 67 and name HE21
	 )
       ( resid 67 and name H
	 ) 3.8 0.8 0.8 volume=99977788.125 peak=1102 ppm1=7.376 ppm2=8.881

assign ( resid 67 and name HE22
	 )
       ( resid 67 and name H
	 ) 4.3 0.9 0.9 volume=46381784.703 peak=1103 ppm1=6.817 ppm2=8.883

assign ( resid 67 and name H
	 )
       ( resid 64 and name HA
	 ) 3.4 0.7 0.7 volume=197069888.375 peak=1104 ppm1=8.878 ppm2=4.388

assign ( resid 67 and name H
	 )
       ( resid 67 and name HA
	 ) 2.9 0.6 0.6 volume=524071848.000 peak=1105 ppm1=8.878 ppm2=4.160

assign ( resid 67 and name H
	 )
       ( resid 68 and name HA
	 ) 4.3 0.9 0.9 volume=42084292.875 peak=1106 ppm1=8.876 ppm2=3.952

assign ( resid 67 and name H
	 )
       ( resid 63 and name HA
	 ) 3.9 0.8 0.8 volume=77810365.125 peak=1107 ppm1=8.877 ppm2=3.625

assign ( resid 67 and name H
	 )
       ( resid 67 and name HG3
	 ) 2.9 0.6 0.6 volume=437368773.000 peak=1108 ppm1=8.878 ppm2=2.858

assign ( resid 67 and name H
	 )
       ( resid 67 and name HG2
	 ) 2.8 0.6 0.6 volume=640221047.000 peak=1109 ppm1=8.878 ppm2=2.555

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB3
	 ) 3.0 0.6 0.6 volume=372400745.250 peak=1110 ppm1=8.878 ppm2=2.279

assign ( resid 67 and name H
	 )
       ( resid 66 and name HB3
	 ) 3.2 0.6 0.6 volume=275833570.000 peak=1111 ppm1=8.877 ppm2=2.021

assign ( resid 67 and name H
	 )
       ( resid 65 and name HB3
	 ) 4.2 0.8 0.8 volume=49877427.750 peak=1112 ppm1=8.878 ppm2=3.220

assign ( resid 67 and name H
	 )
       ( resid 69 and name HB#
	 ) 3.5 0.7 0.7 volume=160385934.875 peak=1113 ppm1=8.877 ppm2=1.532

assign ( resid 67 and name H
	 )
       ( resid 68 and name HG2#
	 ) 4.0 0.8 0.8 volume=70939571.000 peak=1114 ppm1=8.878 ppm2=1.281

assign ( resid 67 and name H
	 )
       ( resid 66 and name HD1#
	 ) 3.4 0.7 0.7 volume=178396962.250 peak=1115 ppm1=8.878 ppm2=1.070

assign ( resid 59 and name H
	 )
       ( resid 61 and name HG3
	 ) 4.8 1.0 1.0 volume=23092834.375 peak=1116 ppm1=9.005 ppm2=2.186

assign ( resid 59 and name H
	 )
       ( resid 57 and name HB2
	 ) 4.0 0.8 0.8 volume=74620339.375 peak=1117 ppm1=9.006 ppm2=2.048

assign ( resid 59 and name H
	 )
       ( resid 60 and name HB3
	 ) 3.7 0.7 0.7 volume=115937278.250 peak=1118 ppm1=9.006 ppm2=1.928

assign ( resid 59 and name H
	 )
       ( resid 57 and name HB3
	 ) 4.1 0.8 0.8 volume=62717904.562 peak=1119 ppm1=9.007 ppm2=1.761

assign ( resid 59 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.4 0.5 0.5 volume=1385012799.000 peak=1120 ppm1=9.006 ppm2=1.406

assign ( resid 59 and name H
	 )
       ( resid 58 and name HG2#
	 ) 3.8 0.8 0.8 volume=97823018.000 peak=1121 ppm1=9.006 ppm2=1.255

assign ( resid 59 and name H
	 )
       ( resid 34 and name HG2#
	 ) 3.9 0.8 0.8 volume=75651939.250 peak=1122 ppm1=9.006 ppm2=1.009

assign ( resid 59 and name H
	 )
       ( resid 35 and name HD2#
	 or resid 79 and name HG13
	 ) 4.5 0.9 0.9 volume=35028100.812 peak=1123 ppm1=9.007 ppm2=0.631

assign ( resid 59 and name H
	 )
       ( resid 54 and name HB2
	 ) 4.3 0.9 0.9 volume=46177868.406 peak=1124 ppm1=9.006 ppm2=2.824

assign ( resid 59 and name H
	 )
       ( resid 54 and name HB3
	 ) 3.8 0.8 0.8 volume=96681919.250 peak=1125 ppm1=9.005 ppm2=2.683

assign ( resid 67 and name HE21
	 )
       ( resid 74 and name H
	 ) 4.6 0.9 0.9 volume=24071212.031 peak=1126 ppm1=7.377 ppm2=9.183

assign ( resid 74 and name H
	 )
       ( resid 72 and name HA
	 ) 4.2 0.8 0.8 volume=49713298.062 peak=1128 ppm1=9.174 ppm2=4.408

assign ( resid 74 and name H
	 )
       ( resid 67 and name HA
	 ) 4.4 0.9 0.9 volume=41269866.832 peak=1129 ppm1=9.176 ppm2=4.171

assign ( resid 74 and name H
	 )
       ( resid 72 and name HB2
	 ) 4.4 0.9 0.9 volume=37847199.406 peak=1130 ppm1=9.174 ppm2=1.241

assign ( resid 74 and name H
	 )
       ( resid 78 and name HD2#
	 ) 4.9 1.0 1.0 volume=20587236.070 peak=1131 ppm1=9.174 ppm2=1.059

assign ( resid 34 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.4 0.9 0.9 volume=39677006.656 peak=1132 ppm1=7.997 ppm2=0.626

assign ( resid 34 and name H
	 )
       ( resid 62 and name HD2#
	 ) 4.8 1.0 1.0 volume=23872105.656 peak=1133 ppm1=7.998 ppm2=0.242

assign ( resid 34 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.4 0.9 0.9 volume=38005825.125 peak=1134 ppm1=7.997 ppm2=0.116

assign ( resid 34 and name H
	 )
       ( resid 34 and name HG2#
	 ) 3.1 0.6 0.6 volume=291356495.125 peak=1135 ppm1=7.997 ppm2=1.011

assign ( resid 34 and name H
	 )
       ( resid 34 and name HG1#
	 ) 2.6 0.5 0.5 volume=1018066824.000 peak=1136 ppm1=7.997 ppm2=0.878

assign ( resid 34 and name H
	 )
       ( resid 35 and name HB2
	 ) 3.6 0.7 0.7 volume=125663345.375 peak=1137 ppm1=7.997 ppm2=1.415

assign ( resid 34 and name H
	 )
       ( resid 31 and name HB#
	 ) 4.0 0.8 0.8 volume=66853420.438 peak=1138 ppm1=7.997 ppm2=1.670

assign ( resid 34 and name H
	 )
       ( resid 34 and name HB
	 ) 2.6 0.5 0.5 volume=890402256.750 peak=1139 ppm1=7.997 ppm2=2.249

assign ( resid 34 and name H
	 )
       ( resid 32 and name HB#
	 ) 3.9 0.8 0.8 volume=86964247.688 peak=1140 ppm1=7.998 ppm2=1.516

assign ( resid 34 and name H
	 )
       ( resid 33 and name HA
	 ) 3.5 0.7 0.7 volume=144019349.469 peak=1141 ppm1=7.997 ppm2=4.309

assign ( resid 34 and name H
	 )
       ( resid 31 and name HA
	 ) 3.4 0.7 0.7 volume=200441818.000 peak=1142 ppm1=7.997 ppm2=4.180

assign ( resid 34 and name H
	 )
       ( resid 33 and name HB2
	 ) 2.7 0.5 0.5 volume=694579271.500 peak=1143 ppm1=7.997 ppm2=4.055

assign ( resid 34 and name H
	 )
       ( resid 32 and name HA
	 ) 4.2 0.8 0.8 volume=54362041.562 peak=1144 ppm1=7.998 ppm2=3.879

assign ( resid 34 and name H
	 )
       ( resid 34 and name HA
	 ) 2.9 0.6 0.6 volume=507251836.500 peak=1145 ppm1=7.997 ppm2=3.720

assign ( resid 34 and name H
	 )
       ( resid 37 and name HD#
	 ) 4.5 0.9 0.9 volume=34578576.562 peak=1146 ppm1=7.999 ppm2=7.085

assign ( resid 34 and name H
	 )
       ( resid 54 and name HZ
	 ) 4.0 0.8 0.8 volume=66096077.938 peak=1148 ppm1=7.996 ppm2=7.355

assign ( resid 34 and name H
	 )
       ( resid 54 and name HE#
	 ) 4.3 0.9 0.9 volume=45207700.906 peak=1149 ppm1=7.996 ppm2=7.208

assign ( resid 32 and name H
	 )
       ( resid 34 and name H
	 ) 3.8 0.8 0.8 volume=36178789.656 peak=1150 ppm1=8.735 ppm2=8.004

assign ( resid 31 and name H
	 )
       ( resid 34 and name H
	 ) 4.6 0.9 0.9 volume=15568650.348 peak=1151 ppm1=8.862 ppm2=8.005

assign ( resid 50 and name H
	 )
       ( resid 51 and name HB2
	 ) 4.5 0.9 0.9 volume=34782277.625 peak=1152 ppm1=8.758 ppm2=2.970

assign ( resid 50 and name H
	 )
       ( resid 47 and name HG2
	 ) 4.6 0.9 0.9 volume=29438140.719 peak=1153 ppm1=8.757 ppm2=2.310

assign ( resid 50 and name H
	 )
       ( resid 79 and name HD1#
	 ) 5.0 1.0 1.0 volume=18625365.109 peak=1154 ppm1=8.764 ppm2=0.000

assign ( resid 50 and name H
	 )
       ( resid 52 and name HD2#
	 ) 4.9 1.0 1.0 volume=20048516.012 peak=1155 ppm1=8.751 ppm2=0.778

assign ( resid 50 and name H
	 )
       ( resid 52 and name HD1#
	 ) 4.7 0.9 0.9 volume=25955568.312 peak=1156 ppm1=8.762 ppm2=1.008

assign ( resid 20 and name H
	 )
       ( resid 20 and name HD3
	 ) 3.3 0.7 0.7 volume=201813103.750 peak=1157 ppm1=7.942 ppm2=3.191

assign ( resid 18 and name H
	 )
       ( resid 19 and name HA
	 ) 4.5 0.9 0.9 volume=33675216.000 peak=1158 ppm1=7.554 ppm2=3.842

assign ( resid 18 and name H
	 )
       ( resid 15 and name HA
	 ) 4.5 0.9 0.9 volume=34416385.484 peak=1159 ppm1=7.554 ppm2=4.396

assign ( resid 18 and name H
	 )
       ( resid 22 and name HG2#
	 ) 5.0 1.0 1.0 volume=17180782.438 peak=1160 ppm1=7.556 ppm2=1.076

assign ( resid 78 and name H
	 )
       ( resid 79 and name HG13
	 ) 4.8 1.0 1.0 volume=23375095.664 peak=1161 ppm1=7.326 ppm2=0.652

assign ( resid 80 and name H
	 )
       ( resid 82 and name HD2
	 ) 4.7 0.9 0.9 volume=25949743.367 peak=1162 ppm1=7.551 ppm2=6.686

assign ( resid 80 and name H
	 )
       ( resid 78 and name H
	 ) 4.1 0.8 0.8 volume=56479857.125 peak=1163 ppm1=7.552 ppm2=7.312

assign ( resid 36 and name H
	 )
       ( resid 37 and name HD#
	 ) 4.4 0.9 0.9 volume=38664021.523 peak=1165 ppm1=7.747 ppm2=7.034

assign ( resid 26 and name H
	 )
       ( resid 25 and name H
	 ) 2.8 0.6 0.6 volume=540865389.000 peak=1168 ppm1=7.768 ppm2=7.638

assign ( resid 8 and name H
	 )
       ( resid 9 and name H
	 ) 3.6 0.7 0.7 volume=120645147.500 peak=1169 ppm1=7.970 ppm2=7.838

assign ( resid 19 and name H
	 )
       ( resid 14 and name H
	 ) 4.4 0.9 0.9 volume=30030161.500 peak=1170 ppm1=9.102 ppm2=7.356

assign ( resid 14 and name H
	 )
       ( resid 13 and name H
	 ) 3.8 0.8 0.8 volume=93152906.125 peak=1172 ppm1=7.355 ppm2=8.669

assign ( resid 81 and name H
	 )
       ( resid 80 and name H
	 ) 2.5 0.5 0.5 volume=1067345779.000 peak=1175 ppm1=7.972 ppm2=7.550

assign ( resid 36 and name H
	 )
       ( resid 34 and name H
	 ) 4.6 0.9 0.9 volume=31997340.953 peak=1176 ppm1=7.745 ppm2=8.011

assign ( resid 8 and name H
	 )
       ( resid 10 and name H
	 ) 4.2 0.8 0.8 volume=50387199.578 peak=1177 ppm1=7.965 ppm2=7.709

assign ( resid 33 and name H
	 )
       ( resid 37 and name H
	 ) 4.7 0.9 0.9 volume=26270693.094 peak=1178 ppm1=7.662 ppm2=8.222

assign ( resid 90 and name H
	 )
       ( resid 91 and name H
	 ) 3.3 0.7 0.7 volume=214228209.594 peak=1179 ppm1=7.806 ppm2=7.676

assign ( resid 23 and name H
	 )
       ( resid 26 and name H
	 ) 3.7 0.7 0.7 volume=107287703.250 peak=1180 ppm1=7.995 ppm2=7.746

assign ( resid 27 and name H
	 )
       ( resid 25 and name H
	 ) 3.7 0.7 0.7 volume=102183173.750 peak=1181 ppm1=7.928 ppm2=7.643

assign ( resid 10 and name H
	 )
       ( resid 7 and name H
	 ) 3.8 0.8 0.8 volume=101100888.000 peak=1184 ppm1=7.703 ppm2=8.283

assign ( resid 26 and name H
	 )
       ( resid 24 and name H
	 ) 4.1 0.8 0.8 volume=62590183.938 peak=1185 ppm1=7.762 ppm2=8.547

assign ( resid 63 and name H
	 )
       ( resid 63 and name HE
	 ) 4.3 0.9 0.9 volume=42706246.828 peak=1186 ppm1=7.632 ppm2=7.064

assign ( resid 10 and name H
	 )
       ( resid 9 and name H
	 ) 4.7 0.9 0.9 volume=25009237.750 peak=1188 ppm1=7.700 ppm2=7.858

assign ( resid 64 and name H
	 )
       ( resid 65 and name H
	 ) 3.5 0.7 0.7 volume=146000856.125 peak=1190 ppm1=8.741 ppm2=8.629

assign ( resid 57 and name H
	 )
       ( resid 55 and name H
	 ) 4.2 0.8 0.8 volume=50696874.500 peak=1191 ppm1=8.325 ppm2=8.092

assign ( resid 18 and name H
	 )
       ( resid 20 and name H
	 ) 4.3 0.9 0.9 volume=45217210.812 peak=1193 ppm1=7.554 ppm2=7.944

assign ( resid 67 and name HE21
	 )
       ( resid 66 and name H
	 ) 4.8 1.0 1.0 volume=23116835.594 peak=1194 ppm1=7.376 ppm2=8.742

assign ( resid 67 and name HE21
	 )
       ( resid 68 and name H
	 ) 3.9 0.8 0.8 volume=43919133.938 peak=1195 ppm1=7.377 ppm2=8.266

assign ( resid 42 and name H
	 )
       ( resid 43 and name H
	 ) 3.3 0.7 0.7 volume=238624061.750 peak=1196 ppm1=8.317 ppm2=7.852

assign ( resid 53 and name H
	 )
       ( resid 52 and name HA
	 ) 2.9 0.6 0.6 volume=506888107.000 peak=1197 ppm1=7.733 ppm2=4.336

assign ( resid 46 and name H
	 )
       ( resid 45 and name H
	 ) 3.8 0.8 0.8 volume=89736205.250 peak=1198 ppm1=8.434 ppm2=8.092

assign ( resid 93 and name H
	 )
       ( resid 91 and name HA
	 ) 4.2 0.8 0.8 volume=52210152.156 peak=1199 ppm1=7.633 ppm2=4.227

assign ( resid 91 and name H
	 )
       ( resid 93 and name H
	 ) 3.6 0.7 0.7 volume=136953922.312 peak=1200 ppm1=7.713 ppm2=7.578

assign ( resid 90 and name H
	 )
       ( resid 92 and name H
	 ) 4.0 0.8 0.8 volume=73442170.500 peak=1201 ppm1=7.806 ppm2=8.413

assign ( resid 90 and name H
	 )
       ( resid 89 and name HA
	 ) 3.7 0.7 0.7 volume=116088398.844 peak=1202 ppm1=7.804 ppm2=3.768

assign ( resid 86 and name H
	 )
       ( resid 84 and name HA
	 ) 3.1 0.6 0.6 volume=75247594.031 peak=1203 ppm1=8.467 ppm2=4.386

assign ( resid 84 and name H
	 )
       ( resid 84 and name HB
	 ) 3.2 0.6 0.6 volume=257591830.000 peak=1204 ppm1=7.308 ppm2=4.389

assign ( resid 20 and name H
	 )
       ( resid 17 and name H
	 ) 3.8 0.8 0.8 volume=98140877.250 peak=1205 ppm1=7.973 ppm2=8.271

assign ( resid 81 and name H
	 )
       ( resid 80 and name HA
	 ) 3.4 0.7 0.7 volume=186581833.750 peak=1206 ppm1=7.980 ppm2=4.520

assign ( resid 81 and name H
	 )
       ( resid 81 and name HA
	 ) 2.9 0.6 0.6 volume=457895399.000 peak=1207 ppm1=7.974 ppm2=4.118

assign ( resid 81 and name H
	 )
       ( resid 79 and name HA
	 ) 3.4 0.7 0.7 volume=186533083.531 peak=1208 ppm1=7.971 ppm2=3.873

assign ( resid 77 and name H
	 )
       ( resid 80 and name H
	 ) 5.1 1.0 1.0 volume=17127128.719 peak=1209 ppm1=7.839 ppm2=7.582

assign ( resid 74 and name H
	 )
       ( resid 74 and name HA
	 ) 2.6 0.5 0.5 volume=907856810.000 peak=1210 ppm1=9.175 ppm2=4.857

assign ( resid 71 and name H
	 )
       ( resid 68 and name H
	 ) 4.5 0.9 0.9 volume=34827765.980 peak=1211 ppm1=8.591 ppm2=8.263

assign ( resid 67 and name H
	 )
       ( resid 65 and name HA
	 ) 4.1 0.8 0.8 volume=58143687.688 peak=1212 ppm1=8.880 ppm2=4.510

assign ( resid 68 and name H
	 )
       ( resid 65 and name H
	 ) 4.1 0.8 0.8 volume=2662086.781 peak=1213 ppm1=8.260 ppm2=8.621

assign ( resid 68 and name H
	 )
       ( resid 65 and name HB2
	 ) 4.4 0.9 0.9 volume=37611972.438 peak=1214 ppm1=8.260 ppm2=3.584

assign ( resid 65 and name H
	 )
       ( resid 61 and name HA
	 ) 3.3 0.7 0.7 volume=238649983.000 peak=1215 ppm1=8.655 ppm2=4.134

assign ( resid 62 and name H
	 )
       ( resid 58 and name HA
	 or resid 58 and name HB
	 or resid 60 and name HA
	 or resid 61 and name HA
	 ) 2.8 0.6 0.6 volume=531094888.000 peak=1216 ppm1=8.434 ppm2=4.142

assign ( resid 57 and name H
	 )
       ( resid 61 and name H
	 ) 4.4 0.9 0.9 volume=40199930.969 peak=1217 ppm1=8.323 ppm2=7.678

assign ( resid 57 and name H
	 )
       ( resid 55 and name HA
	 ) 3.8 0.8 0.8 volume=89743612.688 peak=1218 ppm1=8.326 ppm2=4.900

assign ( resid 59 and name H
	 )
       ( resid 55 and name H
	 ) 3.2 0.6 0.6 volume=248572784.250 peak=1219 ppm1=9.006 ppm2=8.104

assign ( resid 54 and name H
	 )
       ( resid 53 and name HA2
	 ) 3.2 0.6 0.6 volume=270241676.000 peak=1220 ppm1=8.104 ppm2=4.387

assign ( resid 50 and name H
	 )
       ( resid 48 and name HB2
	 ) 3.4 0.7 0.7 volume=182874972.125 peak=1221 ppm1=8.761 ppm2=4.425

assign ( resid 49 and name H
	 )
       ( resid 80 and name HA
	 or resid 84 and name HA
	 ) 3.1 0.6 0.6 volume=343952323.250 peak=1222 ppm1=8.219 ppm2=4.480

assign ( resid 33 and name H
	 )
       ( resid 30 and name HA
	 ) 3.0 0.6 0.6 volume=430353248.125 peak=1223 ppm1=7.671 ppm2=4.137

assign ( resid 32 and name H
	 )
       ( resid 31 and name HA
	 ) 3.1 0.6 0.6 volume=305301329.500 peak=1224 ppm1=8.734 ppm2=4.178

assign ( resid 26 and name H
	 )
       ( resid 22 and name HA
	 ) 3.3 0.7 0.7 volume=202638752.500 peak=1225 ppm1=7.770 ppm2=3.720

assign ( resid 20 and name H
	 )
       ( resid 17 and name HA
	 ) 3.2 0.6 0.6 volume=280865778.250 peak=1226 ppm1=7.941 ppm2=3.974

assign ( resid 13 and name H
	 )
       ( resid 12 and name HA
	 ) 3.6 0.7 0.7 volume=126286402.625 peak=1227 ppm1=8.667 ppm2=4.110

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.9 0.8 0.8 volume=84202247.125 peak=1228 ppm1=9.008 ppm2=1.525

assign ( resid 70 and name H
	 )
       ( resid 67 and name H
	 ) 4.3 0.9 0.9 volume=15223626.133 peak=1229 ppm1=7.621 ppm2=8.872

assign ( resid 70 and name H
	 )
       ( resid 6 and name HD1#
	 or resid 7 and name HD1#
	 or resid 7 and name HD2#
	 or resid 66 and name HB2
	 ) 3.5 0.7 0.7 volume=153280094.750 peak=1230 ppm1=7.625 ppm2=0.890

assign ( resid 53 and name H
	 )
       ( resid 35 and name HD1#
	 ) 4.9 1.0 1.0 volume=20663503.031 peak=1231 ppm1=7.734 ppm2=0.109

assign ( resid 36 and name H
	 )
       ( resid 32 and name HB#
	 ) 4.2 0.8 0.8 volume=53594790.066 peak=1232 ppm1=7.745 ppm2=1.520

assign ( resid 36 and name H
	 )
       ( resid 34 and name HG2#
	 ) 4.5 0.9 0.9 volume=34028072.156 peak=1233 ppm1=7.745 ppm2=1.005

assign ( resid 79 and name H
	 )
       ( resid 80 and name HA
	 ) 4.7 0.9 0.9 volume=25137916.938 peak=1234 ppm1=7.573 ppm2=4.531

assign ( resid 84 and name H
	 )
       ( resid 49 and name HZ
	 ) 4.5 0.9 0.9 volume=32411705.406 peak=1235 ppm1=7.309 ppm2=6.590

assign ( resid 84 and name H
	 )
       ( resid 85 and name HA
	 ) 4.8 1.0 1.0 volume=24340698.938 peak=1236 ppm1=7.304 ppm2=4.076

assign ( resid 84 and name H
	 )
       ( resid 83 and name HG3
	 ) 3.7 0.7 0.7 volume=113991287.000 peak=1237 ppm1=7.305 ppm2=2.049

assign ( resid 13 and name H
	 )
       ( resid 13 and name HA3
	 ) 4.1 0.8 0.8 volume=56288335.625 peak=1239 ppm1=8.666 ppm2=3.844

assign ( resid 13 and name H
	 )
       ( resid 11 and name HB3
	 ) 4.5 0.9 0.9 volume=34329456.844 peak=1240 ppm1=8.667 ppm2=1.452

assign ( resid 94 and name H
	 )
       ( resid 95 and name HE21
	 ) 4.3 0.9 0.9 volume=27824023.812 peak=1241 ppm1=7.568 ppm2=6.570

assign ( resid 95 and name HE21
	 )
       ( resid 94 and name HA
	 ) 5.4 1.1 1.1 volume=11744512.578 peak=1242 ppm1=6.568 ppm2=4.064

assign ( resid 30 and name HE22
	 )
       ( resid 26 and name HG
	 ) 4.4 0.9 0.9 volume=40375064.719 peak=1243 ppm1=7.077 ppm2=1.643

assign ( resid 77 and name H
	 )
       ( resid 76 and name H
	 ) 5.0 1.0 1.0 volume=18504612.234 peak=1244 ppm1=7.838 ppm2=9.182

assign ( resid 77 and name H
	 )
       ( resid 80 and name HD#
	 ) 4.9 1.0 1.0 volume=21654409.000 peak=1245 ppm1=7.841 ppm2=7.106

assign ( resid 77 and name H
	 )
       ( resid 60 and name HD2#
	 ) 4.6 0.9 0.9 volume=28658710.562 peak=1246 ppm1=7.842 ppm2=1.013

assign ( resid 8 and name H
	 )
       ( resid 10 and name HB3
	 ) 4.8 1.0 1.0 volume=22770580.906 peak=1247 ppm1=7.971 ppm2=1.947

assign ( resid 58 and name H
	 )
       ( resid 56 and name HA
	 ) 5.4 1.1 1.1 volume=11427652.219 peak=1248 ppm1=8.926 ppm2=3.983

assign ( resid 58 and name H
	 )
       ( resid 61 and name HG3
	 ) 4.9 1.0 1.0 volume=19710265.500 peak=1249 ppm1=8.925 ppm2=2.200

assign ( resid 48 and name H
	 )
       ( resid 85 and name HD2
	 ) 5.1 1.0 1.0 volume=17002866.891 peak=1250 ppm1=8.809 ppm2=3.798

assign ( resid 48 and name H
	 )
       ( resid 47 and name HG2
	 ) 3.4 0.7 0.7 volume=189678942.750 peak=1251 ppm1=8.813 ppm2=2.311

assign ( resid 86 and name H
	 )
       ( resid 49 and name HE#
	 ) 4.9 1.0 1.0 volume=20488946.844 peak=1252 ppm1=8.462 ppm2=6.996

assign ( resid 86 and name H
	 )
       ( resid 87 and name HA
	 ) 5.7 1.1 1.1 volume=8339406.875 peak=1253 ppm1=8.467 ppm2=4.223

assign ( resid 45 and name H
	 )
       ( resid 44 and name H
	 ) 4.2 0.8 0.8 volume=48271084.703 peak=1254 ppm1=8.062 ppm2=8.264

assign ( resid 45 and name H
	 )
       ( resid 43 and name HA
	 ) 4.9 1.0 1.0 volume=20043172.750 peak=1255 ppm1=8.056 ppm2=4.485

assign ( resid 11 and name H
	 )
       ( resid 19 and name HG2
	 ) 4.8 1.0 1.0 volume=21917879.305 peak=1256 ppm1=7.573 ppm2=2.262

assign ( resid 11 and name H
	 )
       ( resid 10 and name HG3
	 ) 3.5 0.7 0.7 volume=143859072.750 peak=1257 ppm1=7.576 ppm2=1.599

assign ( resid 93 and name H
	 )
       ( resid 90 and name HG3
	 ) 4.5 0.9 0.9 volume=32040336.188 peak=1258 ppm1=7.630 ppm2=2.251

assign ( resid 90 and name H
	 )
       ( resid 20 and name HB3
	 ) 3.9 0.8 0.8 volume=77622720.500 peak=1259 ppm1=7.804 ppm2=1.815

assign ( resid 90 and name H
	 )
       ( resid 88 and name HG1#
	 ) 4.0 0.8 0.8 volume=68661731.250 peak=1260 ppm1=7.802 ppm2=0.905

assign ( resid 9 and name H
	 )
       ( resid 8 and name HG2#
	 ) 4.0 0.8 0.8 volume=68033999.000 peak=1261 ppm1=7.856 ppm2=1.289

assign ( resid 9 and name H
	 )
       ( resid 11 and name HD2#
	 ) 4.5 0.9 0.9 volume=36549238.750 peak=1262 ppm1=7.859 ppm2=0.777

assign ( resid 59 and name H
	 )
       ( resid 80 and name HZ
	 ) 7.7 1.5 0.3 volume=1405904.750 peak=1263 ppm1=9.007 ppm2=7.057

assign ( resid 38 and name H
	 )
       ( resid 38 and name HB#
	 ) 4.5 0.9 0.9 volume=32670320.312 peak=1264 ppm1=8.755 ppm2=1.490

assign ( resid 31 and name H
	 )
       ( resid 29 and name HB2
	 ) 5.7 1.1 1.1 volume=8022377.297 peak=1265 ppm1=8.863 ppm2=2.600

assign ( resid 31 and name H
	 )
       ( resid 34 and name HB
	 ) 5.3 1.1 1.1 volume=13428876.727 peak=1266 ppm1=8.861 ppm2=2.262

assign ( resid 64 and name H
	 )
       ( resid 65 and name HA
	 ) 5.5 1.1 1.1 volume=10050249.898 peak=1267 ppm1=8.739 ppm2=4.530

assign ( resid 64 and name H
	 )
       ( resid 67 and name HG2
	 ) 5.0 1.0 1.0 volume=18336449.094 peak=1268 ppm1=8.741 ppm2=2.582

assign ( resid 50 and name H
	 )
       ( resid 54 and name HD#
	 ) 4.8 1.0 1.0 volume=24374952.938 peak=1269 ppm1=8.760 ppm2=7.392

assign ( resid 50 and name H
	 )
       ( resid 51 and name HB3
	 ) 4.4 0.9 0.9 volume=39602733.188 peak=1270 ppm1=8.762 ppm2=2.852

assign ( resid 50 and name H
	 )
       ( resid 50 and name HD2
	 ) 4.4 0.9 0.9 volume=40890071.188 peak=1271 ppm1=8.763 ppm2=1.764

assign ( resid 65 and name H
	 )
       ( resid 62 and name HB3
	 ) 4.5 0.9 0.9 volume=36090798.688 peak=1272 ppm1=8.654 ppm2=1.522

assign ( resid 66 and name H
	 )
       ( resid 27 and name HA
	 ) 5.2 1.0 1.0 volume=14173376.641 peak=1273 ppm1=8.734 ppm2=3.412

assign ( resid 89 and name H
	 )
       ( resid 49 and name HE#
	 ) 5.0 1.0 1.0 volume=19188295.250 peak=1274 ppm1=8.511 ppm2=7.001

assign ( resid 24 and name H
	 )
       ( resid 24 and name HD3
	 ) 3.5 0.7 0.7 volume=145804448.500 peak=1275 ppm1=8.534 ppm2=3.107

assign ( resid 89 and name H
	 )
       ( resid 86 and name HB3
	 ) 4.7 0.9 0.9 volume=27048650.875 peak=1276 ppm1=8.513 ppm2=2.869

assign ( resid 89 and name H
	 )
       ( resid 86 and name HB2
	 ) 4.9 1.0 1.0 volume=21340884.039 peak=1277 ppm1=8.511 ppm2=2.702

assign ( resid 24 and name H
	 )
       ( resid 23 and name HG2#
	 ) 3.0 0.6 0.6 volume=375661744.500 peak=1278 ppm1=8.534 ppm2=1.254

assign ( resid 60 and name H
	 )
       ( resid 56 and name HA
	 ) 4.8 1.0 1.0 volume=23913212.510 peak=1279 ppm1=7.218 ppm2=4.014

assign ( resid 78 and name H
	 )
       ( resid 75 and name H
	 ) 5.1 1.0 1.0 volume=16265219.562 peak=1280 ppm1=7.319 ppm2=8.993

assign ( resid 12 and name H
	 )
       ( resid 19 and name HE22
	 ) 6.1 1.2 1.2 volume=5464297.654 peak=1281 ppm1=7.318 ppm2=6.767

assign ( resid 96 and name H
	 )
       ( resid 95 and name HE21
	 ) 5.1 1.0 1.0 volume=16589054.922 peak=1282 ppm1=7.283 ppm2=6.559

assign ( resid 47 and name H
	 )
       ( resid 47 and name HG2
	 ) 3.5 0.7 0.7 volume=151292772.750 peak=1283 ppm1=7.481 ppm2=2.313

assign ( resid 21 and name H
	 )
       ( resid 19 and name HB3
	 ) 4.3 0.9 0.9 volume=45029089.344 peak=1284 ppm1=7.684 ppm2=2.447

assign ( resid 21 and name H
	 )
       ( resid 18 and name HB3
	 ) 3.9 0.8 0.8 volume=76017303.750 peak=1285 ppm1=7.684 ppm2=2.081

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 3.2 0.6 0.6 volume=257398316.375 peak=1287 ppm1=7.696 ppm2=4.315

assign ( resid 80 and name H
	 )
       ( resid 78 and name HD2#
	 ) 4.9 1.0 1.0 volume=21584898.875 peak=1288 ppm1=7.550 ppm2=1.032

assign ( resid 63 and name H
	 )
       ( resid 64 and name HB2
	 ) 4.9 1.0 1.0 volume=21293058.406 peak=1289 ppm1=7.635 ppm2=2.748

assign ( resid 26 and name H
	 )
       ( resid 29 and name HB3
	 ) 4.0 0.8 0.8 volume=67071293.062 peak=1290 ppm1=7.768 ppm2=2.975

assign ( resid 26 and name H
	 )
       ( resid 25 and name HB3
	 ) 3.0 0.6 0.6 volume=407868368.000 peak=1291 ppm1=7.766 ppm2=1.927

assign ( resid 26 and name H
	 )
       ( resid 23 and name HG2#
	 ) 3.7 0.7 0.7 volume=116787397.188 peak=1292 ppm1=7.768 ppm2=1.237

assign ( resid 72 and name H
	 )
       ( resid 67 and name H
	 ) 5.2 1.0 1.0 volume=14718394.219 peak=1293 ppm1=7.700 ppm2=8.880

assign ( resid 72 and name H
	 )
       ( resid 72 and name HB3
	 ) 2.7 0.5 0.5 volume=760636420.500 peak=1294 ppm1=7.701 ppm2=1.549

assign ( resid 91 and name H
	 )
       ( resid 88 and name HB
	 ) 4.7 0.9 0.9 volume=24953564.578 peak=1295 ppm1=7.712 ppm2=2.354

assign ( resid 91 and name H
	 )
       ( resid 88 and name HG1#
	 ) 4.1 0.8 0.8 volume=63890986.438 peak=1296 ppm1=7.712 ppm2=0.910

assign ( resid 91 and name H
	 )
       ( resid 93 and name HD2#
	 ) 3.7 0.7 0.7 volume=112546145.500 peak=1297 ppm1=7.714 ppm2=0.762

assign ( resid 82 and name H
	 )
       ( resid 49 and name HE#
	 ) 4.9 1.0 1.0 volume=21532196.812 peak=1298 ppm1=7.654 ppm2=7.011

assign ( resid 82 and name H
	 )
       ( resid 49 and name HD#
	 ) 4.6 0.9 0.9 volume=30363064.438 peak=1299 ppm1=7.662 ppm2=6.949

assign ( resid 82 and name H
	 )
       ( resid 81 and name HB3
	 ) 3.1 0.6 0.6 volume=320112952.062 peak=1300 ppm1=7.664 ppm2=2.068

assign ( resid 82 and name H
	 )
       ( resid 79 and name HG13
	 ) 5.0 1.0 1.0 volume=18487289.469 peak=1301 ppm1=7.665 ppm2=0.634

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB2
	 ) 2.6 0.5 0.5 volume=1007462550.000 peak=1302 ppm1=7.651 ppm2=1.981

assign ( resid 94 and name H
	 )
       ( resid 96 and name HG12
	 ) 4.2 0.8 0.8 volume=49282749.656 peak=1303 ppm1=7.567 ppm2=1.223

assign ( resid 94 and name H
	 )
       ( resid 93 and name HD1#
	 ) 4.7 0.9 0.9 volume=27359942.371 peak=1304 ppm1=7.567 ppm2=1.071

assign ( resid 35 and name H
	 )
       ( resid 32 and name H
	 ) 5.0 1.0 1.0 volume=18803303.453 peak=1305 ppm1=7.616 ppm2=8.748

assign ( resid 35 and name H
	 )
       ( resid 37 and name HE#
	 ) 4.7 0.9 0.9 volume=27572040.000 peak=1306 ppm1=7.622 ppm2=6.843

assign ( resid 35 and name H
	 )
       ( resid 37 and name HB2
	 ) 4.7 0.9 0.9 volume=25322775.578 peak=1307 ppm1=7.616 ppm2=2.917

assign ( resid 35 and name H
	 )
       ( resid 31 and name HB#
	 ) 4.6 0.9 0.9 volume=31262637.125 peak=1308 ppm1=7.618 ppm2=1.676

assign ( resid 43 and name H
	 )
       ( resid 37 and name HD#
	 ) 5.1 1.0 1.0 volume=15523913.066 peak=1309 ppm1=7.850 ppm2=7.024

assign ( resid 43 and name H
	 )
       ( resid 37 and name HE#
	 ) 5.0 1.0 1.0 volume=18964559.281 peak=1310 ppm1=7.848 ppm2=6.828

assign ( resid 51 and name H
	 )
       ( resid 49 and name HD#
	 ) 5.3 1.1 1.1 volume=13152148.906 peak=1311 ppm1=8.006 ppm2=6.915

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB3
	 ) 3.3 0.7 0.7 volume=234510202.750 peak=1312 ppm1=8.013 ppm2=1.987

assign ( resid 6 and name H
	 )
       ( resid 9 and name HB2
	 ) 4.9 1.0 1.0 volume=21026558.531 peak=1313 ppm1=8.196 ppm2=3.987

assign ( resid 87 and name H
	 )
       ( resid 84 and name HB
	 ) 4.0 0.8 0.8 volume=66343037.594 peak=1314 ppm1=8.222 ppm2=4.380

assign ( resid 87 and name H
	 )
       ( resid 83 and name HD3
	 ) 4.9 1.0 1.0 volume=19654578.062 peak=1315 ppm1=8.214 ppm2=3.656

assign ( resid 87 and name H
	 )
       ( resid 84 and name HG2#
	 ) 3.5 0.7 0.7 volume=149534102.750 peak=1316 ppm1=8.214 ppm2=1.006

assign ( resid 37 and name H
	 )
       ( resid 37 and name HE#
	 ) 5.0 1.0 1.0 volume=17559516.398 peak=1317 ppm1=8.175 ppm2=6.845

assign ( resid 34 and name H
	 )
       ( resid 30 and name HB3
	 ) 4.5 0.9 0.9 volume=35402015.162 peak=1318 ppm1=7.997 ppm2=2.081

assign ( resid 20 and name H
	 )
       ( resid 19 and name HG3
	 ) 3.7 0.7 0.7 volume=115139957.531 peak=1319 ppm1=7.941 ppm2=2.845

assign ( resid 20 and name H
	 )
       ( resid 19 and name HG2
	 ) 4.0 0.8 0.8 volume=72309715.438 peak=1320 ppm1=7.936 ppm2=2.275

assign ( resid 20 and name H
	 )
       ( resid 20 and name HG2
	 or resid 20 and name HB3
	 ) 2.7 0.5 0.5 volume=666256224.000 peak=1321 ppm1=7.939 ppm2=1.782

assign ( resid 20 and name H
	 )
       ( resid 17 and name HG2#
	 ) 4.1 0.8 0.8 volume=57060081.750 peak=1322 ppm1=7.945 ppm2=1.317

assign ( resid 81 and name H
	 )
       ( resid 82 and name HA
	 ) 4.7 0.9 0.9 volume=24884620.547 peak=1323 ppm1=7.978 ppm2=4.960

assign ( resid 81 and name H
	 )
       ( resid 77 and name HA
	 ) 4.1 0.8 0.8 volume=63789936.562 peak=1324 ppm1=7.975 ppm2=4.387

assign ( resid 81 and name H
	 )
       ( resid 77 and name HG2#
	 ) 4.3 0.9 0.9 volume=43518217.281 peak=1326 ppm1=7.978 ppm2=1.141

assign ( resid 81 and name H
	 )
       ( resid 78 and name HD2#
	 ) 4.7 0.9 0.9 volume=25246032.656 peak=1327 ppm1=7.981 ppm2=1.036

assign ( resid 54 and name H
	 )
       ( resid 54 and name HB2
	 ) 2.7 0.5 0.5 volume=717741579.000 peak=1328 ppm1=8.105 ppm2=2.832

assign ( resid 54 and name H
	 )
       ( resid 49 and name HB3
	 or resid 49 and name HB2
	 or resid 54 and name HB3
	 ) 2.8 0.6 0.6 volume=621270977.000 peak=1329 ppm1=8.104 ppm2=2.680

assign ( resid 54 and name H
	 )
       ( resid 52 and name HB2
	 ) 3.4 0.7 0.7 volume=188709465.000 peak=1330 ppm1=8.106 ppm2=2.308

assign ( resid 54 and name H
	 )
       ( resid 59 and name HB#
	 ) 4.5 0.9 0.9 volume=36059047.750 peak=1331 ppm1=8.102 ppm2=1.409

assign ( resid 54 and name H
	 )
       ( resid 35 and name HD2#
	 ) 4.3 0.9 0.9 volume=43194008.781 peak=1332 ppm1=8.105 ppm2=0.628

assign ( resid 28 and name H
	 )
       ( resid 31 and name H
	 ) 5.1 1.0 1.0 volume=15553630.925 peak=1333 ppm1=8.357 ppm2=8.866

assign ( resid 7 and name H
	 )
       ( resid 9 and name H
	 ) 5.0 1.0 1.0 volume=18283311.406 peak=1334 ppm1=8.284 ppm2=7.839

assign ( resid 28 and name H
	 )
       ( resid 29 and name HB3
	 ) 4.1 0.8 0.8 volume=24195708.016 peak=1335 ppm1=8.280 ppm2=2.951

assign ( resid 30 and name H
	 )
       ( resid 32 and name H
	 ) 4.3 0.9 0.9 volume=43491018.969 peak=1336 ppm1=8.242 ppm2=8.734

assign ( resid 30 and name H
	 )
       ( resid 28 and name HA
	 ) 3.8 0.8 0.8 volume=99306550.375 peak=1337 ppm1=8.243 ppm2=4.034

assign ( resid 30 and name H
	 )
       ( resid 62 and name HD2#
	 ) 5.2 1.0 1.0 volume=14140998.953 peak=1338 ppm1=8.244 ppm2=0.237

assign ( resid 68 and name H
	 )
       ( resid 65 and name HB3
	 ) 4.8 1.0 1.0 volume=23832191.797 peak=1339 ppm1=8.258 ppm2=3.198

assign ( resid 68 and name H
	 )
       ( resid 66 and name HB2
	 ) 4.8 1.0 1.0 volume=22213957.469 peak=1340 ppm1=8.257 ppm2=0.916

assign ( resid 54 and name H
	 )
       ( resid 52 and name HB3
	 ) 3.2 0.6 0.6 volume=250985395.750 peak=1341 ppm1=8.107 ppm2=1.836

assign ( resid 54 and name H
	 )
       ( resid 58 and name HG2#
	 ) 4.7 0.9 0.9 volume=25814901.156 peak=1342 ppm1=8.105 ppm2=1.268

assign ( resid 100 and name H
	 )
       ( resid 93 and name HB2
	 ) 4.4 0.9 0.9 volume=41628912.125 peak=1343 ppm1=8.125 ppm2=1.515

assign ( resid 100 and name H
	 )
       ( resid 99 and name HD1#
	 ) 3.8 0.8 0.8 volume=94051751.938 peak=1344 ppm1=8.125 ppm2=0.804

assign ( resid 27 and name H
	 )
       ( resid 23 and name HA
	 ) 3.9 0.8 0.8 volume=84517885.000 peak=1345 ppm1=7.934 ppm2=4.109

assign ( resid 27 and name H
	 )
       ( resid 29 and name HB3
	 ) 4.8 1.0 1.0 volume=23686287.812 peak=1346 ppm1=7.936 ppm2=2.976

assign ( resid 78 and name H
	 )
       ( resid 80 and name HD#
	 ) 5.4 1.1 1.1 volume=11752687.812 peak=1348 ppm1=7.327 ppm2=7.074

assign ( resid 84 and name H
	 )
       ( resid 49 and name HD#
	 ) 3.8 0.8 0.8 volume=94566953.922 peak=1349 ppm1=7.309 ppm2=6.903

assign ( resid 55 and name H
	 )
       ( resid 57 and name HB3
	 ) 4.3 0.9 0.9 volume=48029732.562 peak=1350 ppm1=8.113 ppm2=1.752

assign ( resid 74 and name H
	 )
       ( resid 67 and name H
	 ) 4.9 1.0 1.0 volume=21229011.094 peak=1351 ppm1=9.174 ppm2=8.913

assign ( resid 76 and name H
	 )
       ( resid 77 and name HA
	 ) 5.3 1.1 1.1 volume=13560383.426 peak=1352 ppm1=9.251 ppm2=4.356

assign ( resid 19 and name H
	 )
       ( resid 11 and name HA
	 ) 6.4 1.3 1.3 volume=4230916.500 peak=1353 ppm1=9.102 ppm2=4.341

assign ( resid 15 and name H
	 )
       ( resid 18 and name HG2
	 ) 3.0 0.6 0.6 volume=390342061.250 peak=1354 ppm1=8.777 ppm2=2.300

assign ( resid 98 and name H
	 )
       ( resid 97 and name HG3
	 ) 4.8 1.0 1.0 volume=22557665.625 peak=1355 ppm1=8.436 ppm2=2.072

assign ( resid 79 and name H
	 )
       ( resid 49 and name HE#
	 ) 4.4 0.9 0.9 volume=41331994.250 peak=1356 ppm1=7.573 ppm2=6.933

assign ( resid 9 and name H
	 )
       ( resid 6 and name HB3
	 ) 4.1 0.8 0.8 volume=57915957.000 peak=1357 ppm1=7.856 ppm2=1.642

assign ( resid 43 and name H
	 )
       ( resid 43 and name HD1#
	 ) 3.3 0.7 0.7 volume=226647109.750 peak=1358 ppm1=7.851 ppm2=0.803

assign ( resid 87 and name H
	 )
       ( resid 91 and name H
	 ) 4.7 0.9 0.9 volume=25833685.344 peak=1359 ppm1=8.249 ppm2=7.702

assign ( resid 62 and name H
	 )
       ( resid 64 and name HB2
	 ) 4.4 0.9 0.9 volume=41105341.000 peak=1360 ppm1=8.443 ppm2=2.765

assign ( resid 53 and name H
	 )
       ( resid 54 and name HD#
	 ) 3.6 0.7 0.7 volume=128114824.188 peak=1361 ppm1=7.737 ppm2=7.398

assign ( resid 84 and name H
	 )
       ( resid 88 and name HG1#
	 ) 4.8 1.0 1.0 volume=22387165.375 peak=1362 ppm1=7.305 ppm2=0.890

assign ( resid 95 and name HE21
	 )
       ( resid 91 and name HD2
	 ) 4.3 0.9 0.9 volume=42329559.719 peak=1363 ppm1=6.569 ppm2=6.170

assign ( resid 5 and name H
	 )
       ( resid 3 and name HB
	 ) 5.1 1.0 1.0 volume=16941485.812 peak=1364 ppm1=8.078 ppm2=4.275

assign ( resid 17 and name H
	 )
       ( resid 14 and name HD1#
	 ) 4.7 0.9 0.9 volume=25044265.172 peak=1365 ppm1=8.168 ppm2=0.864

assign ( resid 35 and name H
	 )
       ( resid 54 and name HZ
	 ) 3.9 0.8 0.8 volume=78188259.125 peak=1366 ppm1=7.619 ppm2=7.360

assign ( resid 35 and name H
	 )
       ( resid 54 and name HE#
	 ) 4.3 0.9 0.9 volume=46657870.219 peak=1367 ppm1=7.615 ppm2=7.204

assign ( resid 94 and name H
	 )
       ( resid 96 and name H
	 ) 4.9 1.0 1.0 volume=21570820.250 peak=1368 ppm1=7.572 ppm2=7.309

assign ( resid 92 and name H
	 )
       ( resid 95 and name HE21
	 ) 5.0 1.0 1.0 volume=18578470.877 peak=1369 ppm1=8.406 ppm2=6.585

assign ( resid 32 and name H
	 )
       ( resid 40 and name H
	 ) 5.6 1.1 1.1 volume=9074393.500 peak=1370 ppm1=8.733 ppm2=8.397

assign ( resid 89 and name H
	 )
       ( resid 87 and name H
	 ) 4.0 0.8 0.8 volume=74785435.635 peak=1371 ppm1=8.513 ppm2=8.257

assign ( resid 89 and name H
	 )
       ( resid 89 and name HA
	 ) 2.7 0.5 0.5 volume=695297884.500 peak=1372 ppm1=8.512 ppm2=3.788

assign ( resid 88 and name H
	 )
       ( resid 91 and name HB2
	 ) 4.7 0.9 0.9 volume=26960293.000 peak=1373 ppm1=8.520 ppm2=3.008

assign ( resid 88 and name H
	 )
       ( resid 86 and name HB3
	 ) 4.4 0.9 0.9 volume=38148905.301 peak=1374 ppm1=8.522 ppm2=2.871

assign ( resid 88 and name H
	 )
       ( resid 86 and name HB2
	 ) 4.3 0.9 0.9 volume=42960584.938 peak=1375 ppm1=8.518 ppm2=2.695

assign ( resid 88 and name H
	 )
       ( resid 91 and name HB3
	 ) 4.6 0.9 0.9 volume=29008068.125 peak=1376 ppm1=8.523 ppm2=2.162

assign ( resid 88 and name H
	 )
       ( resid 27 and name HG1#
	 ) 3.4 0.7 0.7 volume=181513844.750 peak=1377 ppm1=8.523 ppm2=1.081

assign ( resid 22 and name H
	 )
       ( resid 18 and name H
	 ) 4.7 0.9 0.9 volume=25089215.750 peak=1378 ppm1=8.490 ppm2=7.543

assign ( resid 22 and name H
	 )
       ( resid 19 and name H
	 ) 4.2 0.8 0.8 volume=35016236.625 peak=1379 ppm1=8.483 ppm2=9.130

assign ( resid 22 and name H
	 )
       ( resid 18 and name HB2
	 ) 4.6 0.9 0.9 volume=31377558.219 peak=1380 ppm1=8.487 ppm2=2.386

assign ( resid 22 and name H
	 )
       ( resid 89 and name HB#
	 ) 4.1 0.8 0.8 volume=61814771.750 peak=1381 ppm1=8.482 ppm2=1.438

assign ( resid 46 and name H
	 )
       ( resid 47 and name HA
	 ) 4.7 0.9 0.9 volume=27145703.469 peak=1382 ppm1=8.451 ppm2=4.334

assign ( resid 37 and name H
	 )
       ( resid 34 and name HB
	 ) 4.8 1.0 1.0 volume=23002651.328 peak=1383 ppm1=8.171 ppm2=2.257

assign ( resid 69 and name H
	 )
       ( resid 66 and name H
	 ) 5.8 1.2 1.2 volume=7581972.646 peak=1384 ppm1=7.981 ppm2=8.745

assign ( resid 69 and name H
	 )
       ( resid 65 and name HB2
	 ) 4.8 1.0 1.0 volume=22316860.719 peak=1385 ppm1=7.980 ppm2=3.578

assign ( resid 69 and name H
	 )
       ( resid 67 and name HG2
	 ) 4.3 0.9 0.9 volume=43045875.938 peak=1386 ppm1=7.981 ppm2=2.558

assign ( resid 69 and name H
	 )
       ( resid 67 and name HB3
	 ) 4.6 0.9 0.9 volume=29918274.516 peak=1387 ppm1=7.982 ppm2=2.254

assign ( resid 81 and name H
	 )
       ( resid 79 and name HG13
	 ) 5.1 1.0 1.0 volume=16841506.188 peak=1388 ppm1=7.979 ppm2=0.638

assign ( resid 14 and name H
	 )
       ( resid 11 and name HD2#
	 ) 3.7 0.7 0.7 volume=108971563.625 peak=1389 ppm1=7.357 ppm2=0.768

assign ( resid 67 and name H
	 )
       ( resid 66 and name HB2
	 ) 3.5 0.7 0.7 volume=146555789.469 peak=1390 ppm1=8.880 ppm2=0.903

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -13.517  12.106  -0.953
    2    H2   GLY   1           HT2      GLY   1 -13.490  12.532   0.682
    3    H3   GLY   1           HT3      GLY   1 -12.512  11.273   0.120
    4    HA2  GLY   1           HA1      GLY   1 -12.251  14.134  -0.606
    5    HA3  GLY   1           HA2      GLY   1 -11.201  13.258   0.496
    6    H    SER   2           HN       SER   2 -10.959  14.612  -2.260
    7    HA   SER   2           HA       SER   2  -9.615  14.429  -4.060
    8    HB2  SER   2           HB2      SER   2  -7.979  13.473  -2.441
    9    HB3  SER   2           HB1      SER   2  -8.583  11.864  -2.829
   10    HG   SER   2           HG       SER   2  -6.864  13.474  -4.218
   11    H    THR   3           HN       THR   3 -10.274  10.974  -3.454
   12    HA   THR   3           HA       THR   3 -12.008  10.884  -5.779
   13    HB   THR   3           HB       THR   3  -9.382   9.394  -5.668
   14    HG1  THR   3           HG1      THR   3 -10.098  11.649  -6.804
   15   HG21  THR   3          HG21      THR   3 -10.105   8.251  -7.730
   16   HG22  THR   3          HG22      THR   3 -11.711   8.953  -7.541
   17   HG23  THR   3          HG23      THR   3 -11.099   7.814  -6.337
   18    H    ALA   4           HN       ALA   4 -10.151   8.377  -4.117
   19    HA   ALA   4           HA       ALA   4 -10.693   6.561  -2.922
   20    HB1  ALA   4           HB1      ALA   4 -13.282   7.962  -2.275
   21    HB2  ALA   4           HB2      ALA   4 -11.767   8.171  -1.396
   22    HB3  ALA   4           HB3      ALA   4 -12.572   6.602  -1.405
   23    H    THR   5           HN       THR   5 -13.696   7.580  -4.584
   24    HA   THR   5           HA       THR   5 -14.957   5.205  -4.980
   25    HB   THR   5           HB       THR   5 -14.668   7.322  -7.114
   26    HG1  THR   5           HG1      THR   5 -16.010   7.258  -4.657
   27   HG21  THR   5          HG21      THR   5 -16.893   6.619  -7.813
   28   HG22  THR   5          HG22      THR   5 -16.937   5.414  -6.528
   29   HG23  THR   5          HG23      THR   5 -15.786   5.247  -7.853
   30    H    LEU   6           HN       LEU   6 -12.084   6.244  -6.615
   31    HA   LEU   6           HA       LEU   6 -11.909   4.438  -8.696
   32    HB2  LEU   6           HB2      LEU   6 -10.299   6.151  -8.546
   33    HB3  LEU   6           HB1      LEU   6  -9.883   5.721  -6.899
   34    HG   LEU   6           HG       LEU   6  -8.747   3.703  -7.697
   35   HD11  LEU   6          HD11      LEU   6  -8.372   3.358 -10.085
   36   HD12  LEU   6          HD12      LEU   6  -9.428   4.721 -10.453
   37   HD13  LEU   6          HD13      LEU   6 -10.087   3.275  -9.691
   38   HD21  LEU   6          HD21      LEU   6  -6.859   4.816  -8.729
   39   HD22  LEU   6          HD22      LEU   6  -7.540   5.827  -7.453
   40   HD23  LEU   6          HD23      LEU   6  -7.873   6.198  -9.145
   41    H    LEU   7           HN       LEU   7 -10.340   4.045  -5.520
   42    HA   LEU   7           HA       LEU   7 -10.031   1.217  -6.003
   43    HB2  LEU   7           HB2      LEU   7  -8.699   3.144  -4.483
   44    HB3  LEU   7           HB1      LEU   7  -9.423   2.057  -3.314
   45    HG   LEU   7           HG       LEU   7  -7.098   1.428  -3.943
   46   HD11  LEU   7          HD11      LEU   7  -7.577  -0.915  -4.070
   47   HD12  LEU   7          HD12      LEU   7  -9.181  -0.595  -4.739
   48   HD13  LEU   7          HD13      LEU   7  -8.816  -0.145  -3.073
   49   HD21  LEU   7          HD21      LEU   7  -7.380   2.089  -6.362
   50   HD22  LEU   7          HD22      LEU   7  -8.305   0.602  -6.578
   51   HD23  LEU   7          HD23      LEU   7  -6.614   0.524  -6.085
   52    H    THR   8           HN       THR   8 -12.036   3.322  -4.136
   53    HA   THR   8           HA       THR   8 -13.064   1.563  -2.237
   54    HB   THR   8           HB       THR   8 -14.236   3.960  -3.600
   55    HG1  THR   8           HG1      THR   8 -12.386   3.972  -2.016
   56   HG21  THR   8          HG21      THR   8 -16.089   2.511  -2.811
   57   HG22  THR   8          HG22      THR   8 -15.992   4.031  -1.923
   58   HG23  THR   8          HG23      THR   8 -15.388   2.546  -1.194
   59    H    SER   9           HN       SER   9 -13.940   2.039  -5.609
   60    HA   SER   9           HA       SER   9 -16.242   0.371  -5.591
   61    HB2  SER   9           HB2      SER   9 -14.436   1.454  -7.738
   62    HB3  SER   9           HB1      SER   9 -15.754   0.340  -8.129
   63    HG   SER   9           HG       SER   9 -16.240   2.625  -6.545
   64    H    LYS  10           HN       LYS  10 -12.857  -0.239  -5.658
   65    HA   LYS  10           HA       LYS  10 -12.929  -2.938  -6.595
   66    HB2  LYS  10           HB2      LYS  10 -10.847  -1.520  -6.496
   67    HB3  LYS  10           HB1      LYS  10 -10.936  -1.607  -4.740
   68    HG2  LYS  10           HG2      LYS  10  -9.310  -3.165  -5.428
   69    HG3  LYS  10           HG1      LYS  10 -10.730  -4.086  -4.934
   70    HD2  LYS  10           HD2      LYS  10 -10.662  -3.381  -7.779
   71    HD3  LYS  10           HD1      LYS  10  -9.361  -4.454  -7.261
   72    HE2  LYS  10           HE2      LYS  10 -10.977  -6.012  -6.346
   73    HE3  LYS  10           HE1      LYS  10 -12.298  -4.925  -6.761
   74    HZ1  LYS  10           HZ1      LYS  10 -11.714  -5.194  -9.099
   75    HZ2  LYS  10           HZ2      LYS  10 -12.081  -6.682  -8.387
   76    HZ3  LYS  10           HZ3      LYS  10 -10.469  -6.260  -8.680
   77    H    LEU  11           HN       LEU  11 -12.551  -1.485  -3.391
   78    HA   LEU  11           HA       LEU  11 -12.587  -3.901  -1.968
   79    HB2  LEU  11           HB2      LEU  11 -13.348  -1.170  -0.953
   80    HB3  LEU  11           HB1      LEU  11 -12.965  -2.554   0.041
   81    HG   LEU  11           HG       LEU  11 -10.965  -1.484   0.147
   82   HD11  LEU  11          HD11      LEU  11 -10.642  -2.866  -2.506
   83   HD12  LEU  11          HD12      LEU  11 -10.601  -3.671  -0.932
   84   HD13  LEU  11          HD13      LEU  11  -9.364  -2.480  -1.347
   85   HD21  LEU  11          HD21      LEU  11 -11.850   0.352  -1.373
   86   HD22  LEU  11          HD22      LEU  11 -11.113  -0.548  -2.701
   87   HD23  LEU  11          HD23      LEU  11 -10.110   0.069  -1.386
   88    H    ALA  12           HN       ALA  12 -15.150  -1.901  -3.139
   89    HA   ALA  12           HA       ALA  12 -17.281  -2.820  -1.590
   90    HB1  ALA  12           HB1      ALA  12 -18.704  -2.133  -3.447
   91    HB2  ALA  12           HB2      ALA  12 -17.298  -2.064  -4.512
   92    HB3  ALA  12           HB3      ALA  12 -17.436  -0.940  -3.159
   93    H    GLY  13           HN       GLY  13 -15.504  -4.329  -4.162
   94    HA2  GLY  13           HA2      GLY  13 -17.437  -6.477  -4.485
   95    HA3  GLY  13           HA1      GLY  13 -15.919  -6.287  -5.354
   96    H    LEU  14           HN       LEU  14 -14.829  -5.805  -2.425
   97    HA   LEU  14           HA       LEU  14 -14.253  -8.634  -1.985
   98    HB2  LEU  14           HB2      LEU  14 -12.822  -6.162  -1.121
   99    HB3  LEU  14           HB1      LEU  14 -12.404  -7.738  -0.553
  100    HG   LEU  14           HG       LEU  14 -10.889  -7.623  -2.179
  101   HD11  LEU  14          HD11      LEU  14 -11.613  -8.659  -4.250
  102   HD12  LEU  14          HD12      LEU  14 -13.294  -8.307  -3.842
  103   HD13  LEU  14          HD13      LEU  14 -12.362  -9.430  -2.845
  104   HD21  LEU  14          HD21      LEU  14 -11.123  -6.207  -4.175
  105   HD22  LEU  14          HD22      LEU  14 -11.318  -5.330  -2.655
  106   HD23  LEU  14          HD23      LEU  14 -12.734  -5.749  -3.620
  107    H    THR  15           HN       THR  15 -13.783  -9.202   0.233
  108    HA   THR  15           HA       THR  15 -15.460  -7.854   2.221
  109    HB   THR  15           HB       THR  15 -15.113  -9.818   3.586
  110    HG1  THR  15           HG1      THR  15 -13.716 -11.541   2.584
  111   HG21  THR  15          HG21      THR  15 -15.502 -10.637   0.701
  112   HG22  THR  15          HG22      THR  15 -16.769 -10.092   1.806
  113   HG23  THR  15          HG23      THR  15 -15.935 -11.618   2.106
  114    H    ALA  16           HN       ALA  16 -14.218  -7.531   4.392
  115    HA   ALA  16           HA       ALA  16 -12.151  -5.764   4.034
  116    HB1  ALA  16           HB1      ALA  16 -11.632  -6.025   6.393
  117    HB2  ALA  16           HB2      ALA  16 -12.516  -7.550   6.439
  118    HB3  ALA  16           HB3      ALA  16 -13.378  -6.042   6.145
  119    H    THR  17           HN       THR  17 -11.909  -9.253   4.508
  120    HA   THR  17           HA       THR  17  -9.125  -9.455   4.688
  121    HB   THR  17           HB       THR  17 -11.096 -11.478   3.610
  122    HG1  THR  17           HG1      THR  17 -11.737 -11.579   5.622
  123   HG21  THR  17          HG21      THR  17  -8.768 -12.017   3.088
  124   HG22  THR  17          HG22      THR  17  -9.433 -13.134   4.280
  125   HG23  THR  17          HG23      THR  17  -8.345 -11.843   4.790
  126    H    GLU  18           HN       GLU  18 -11.255  -9.747   1.822
  127    HA   GLU  18           HA       GLU  18  -9.082 -10.202   0.078
  128    HB2  GLU  18           HB2      GLU  18 -11.944  -9.451  -0.415
  129    HB3  GLU  18           HB1      GLU  18 -10.800  -9.848  -1.677
  130    HG2  GLU  18           HG2      GLU  18 -10.494 -12.057  -0.572
  131    HG3  GLU  18           HG1      GLU  18 -11.831 -11.632   0.489
  132    H    GLN  19           HN       GLN  19 -10.781  -7.413   1.248
  133    HA   GLN  19           HA       GLN  19  -9.752  -5.494  -0.534
  134    HB2  GLN  19           HB2      GLN  19 -10.456  -5.231   2.383
  135    HB3  GLN  19           HB1      GLN  19 -10.254  -3.894   1.265
  136    HG2  GLN  19           HG2      GLN  19 -12.121  -4.619  -0.014
  137    HG3  GLN  19           HG1      GLN  19 -12.274  -6.075   0.943
  138   HE21  GLN  19          HE21      GLN  19 -14.295  -4.168   0.476
  139   HE22  GLN  19          HE22      GLN  19 -14.724  -3.487   2.015
  140    H    ARG  20           HN       ARG  20  -8.516  -6.926   2.449
  141    HA   ARG  20           HA       ARG  20  -6.060  -5.542   2.586
  142    HB2  ARG  20           HB2      ARG  20  -6.192  -8.498   3.131
  143    HB3  ARG  20           HB1      ARG  20  -5.258  -7.266   3.967
  144    HG2  ARG  20           HG2      ARG  20  -7.303  -6.398   4.942
  145    HG3  ARG  20           HG1      ARG  20  -8.242  -7.644   4.109
  146    HD2  ARG  20           HD2      ARG  20  -7.900  -8.371   6.351
  147    HD3  ARG  20           HD1      ARG  20  -6.855  -9.335   5.317
  148    HE   ARG  20           HE       ARG  20  -5.297  -7.240   6.195
  149   HH11  ARG  20          HH11      ARG  20  -7.111  -9.841   7.659
  150   HH12  ARG  20          HH12      ARG  20  -6.085  -9.949   9.053
  151   HH21  ARG  20          HH21      ARG  20  -3.930  -7.368   8.066
  152   HH22  ARG  20          HH22      ARG  20  -4.299  -8.560   9.281
  153    H    ALA  21           HN       ALA  21  -7.022  -8.479   0.929
  154    HA   ALA  21           HA       ALA  21  -4.520  -9.242  -0.056
  155    HB1  ALA  21           HB1      ALA  21  -7.221  -9.828  -1.252
  156    HB2  ALA  21           HB2      ALA  21  -6.473 -10.722   0.072
  157    HB3  ALA  21           HB3      ALA  21  -5.733 -10.733  -1.530
  158    H    VAL  22           HN       VAL  22  -6.972  -7.173  -1.511
  159    HA   VAL  22           HA       VAL  22  -5.802  -7.249  -4.095
  160    HB   VAL  22           HB       VAL  22  -7.328  -5.307  -4.604
  161   HG11  VAL  22          HG11      VAL  22  -7.925  -7.711  -4.904
  162   HG12  VAL  22          HG12      VAL  22  -9.306  -6.655  -4.615
  163   HG13  VAL  22          HG13      VAL  22  -8.684  -7.669  -3.310
  164   HG21  VAL  22          HG21      VAL  22  -8.163  -5.771  -1.738
  165   HG22  VAL  22          HG22      VAL  22  -9.082  -4.828  -2.914
  166   HG23  VAL  22          HG23      VAL  22  -7.477  -4.293  -2.417
  167    H    THR  23           HN       THR  23  -5.644  -4.756  -1.510
  168    HA   THR  23           HA       THR  23  -3.667  -3.445  -3.185
  169    HB   THR  23           HB       THR  23  -5.121  -1.921  -2.268
  170    HG1  THR  23           HG1      THR  23  -3.163  -1.219  -0.550
  171   HG21  THR  23          HG21      THR  23  -4.357  -2.799   0.484
  172   HG22  THR  23          HG22      THR  23  -5.876  -3.217  -0.304
  173   HG23  THR  23          HG23      THR  23  -5.507  -1.530   0.076
  174    H    ARG  24           HN       ARG  24  -3.655  -5.725  -0.645
  175    HA   ARG  24           HA       ARG  24  -0.964  -5.320   0.161
  176    HB2  ARG  24           HB2      ARG  24  -2.353  -6.987   1.270
  177    HB3  ARG  24           HB1      ARG  24  -2.548  -7.869  -0.232
  178    HG2  ARG  24           HG2      ARG  24   0.118  -7.917  -0.049
  179    HG3  ARG  24           HG1      ARG  24  -0.295  -7.829   1.666
  180    HD2  ARG  24           HD2      ARG  24  -1.727  -9.766   1.448
  181    HD3  ARG  24           HD1      ARG  24  -1.425  -9.813  -0.278
  182    HE   ARG  24           HE       ARG  24   0.666 -10.299   1.735
  183   HH11  ARG  24          HH11      ARG  24  -0.846 -10.985  -1.351
  184   HH12  ARG  24          HH12      ARG  24   0.229 -12.292  -1.727
  185   HH21  ARG  24          HH21      ARG  24   2.080 -12.021   1.235
  186   HH22  ARG  24          HH22      ARG  24   1.892 -12.882  -0.259
  187    H    LYS  25           HN       LYS  25  -2.491  -6.080  -2.717
  188    HA   LYS  25           HA       LYS  25  -0.078  -6.929  -4.061
  189    HB2  LYS  25           HB2      LYS  25  -1.795  -8.229  -4.841
  190    HB3  LYS  25           HB1      LYS  25  -3.006  -7.007  -4.541
  191    HG2  LYS  25           HG2      LYS  25  -2.822  -7.472  -6.899
  192    HG3  LYS  25           HG1      LYS  25  -2.335  -5.819  -6.534
  193    HD2  LYS  25           HD2      LYS  25   0.029  -6.514  -6.650
  194    HD3  LYS  25           HD1      LYS  25  -0.486  -8.155  -7.050
  195    HE2  LYS  25           HE2      LYS  25  -1.517  -7.374  -9.087
  196    HE3  LYS  25           HE1      LYS  25  -1.153  -5.702  -8.671
  197    HZ1  LYS  25           HZ1      LYS  25   0.897  -7.794  -9.142
  198    HZ2  LYS  25           HZ2      LYS  25   1.172  -6.143  -8.900
  199    HZ3  LYS  25           HZ3      LYS  25   0.393  -6.672 -10.301
  200    H    LEU  26           HN       LEU  26  -2.427  -4.225  -3.854
  201    HA   LEU  26           HA       LEU  26  -1.283  -2.723  -5.951
  202    HB2  LEU  26           HB2      LEU  26  -3.553  -2.356  -5.272
  203    HB3  LEU  26           HB1      LEU  26  -3.043  -1.918  -3.659
  204    HG   LEU  26           HG       LEU  26  -3.770  -0.064  -5.270
  205   HD11  LEU  26          HD11      LEU  26  -1.147   0.300  -3.893
  206   HD12  LEU  26          HD12      LEU  26  -2.673   0.098  -3.033
  207   HD13  LEU  26          HD13      LEU  26  -2.444   1.480  -4.112
  208   HD21  LEU  26          HD21      LEU  26  -0.960  -0.455  -6.236
  209   HD22  LEU  26          HD22      LEU  26  -2.034   0.886  -6.652
  210   HD23  LEU  26          HD23      LEU  26  -2.423  -0.755  -7.174
  211    H    VAL  27           HN       VAL  27  -0.960  -2.278  -2.381
  212    HA   VAL  27           HA       VAL  27   0.873  -0.178  -2.523
  213    HB   VAL  27           HB       VAL  27  -0.079  -0.705  -0.367
  214   HG11  VAL  27          HG11      VAL  27   0.677  -2.731   0.882
  215   HG12  VAL  27          HG12      VAL  27   1.360  -3.331  -0.634
  216   HG13  VAL  27          HG13      VAL  27  -0.375  -3.059  -0.495
  217   HG21  VAL  27          HG21      VAL  27   2.151   0.335  -0.370
  218   HG22  VAL  27          HG22      VAL  27   2.889  -1.271  -0.316
  219   HG23  VAL  27          HG23      VAL  27   1.913  -0.700   1.039
  220    H    LEU  28           HN       LEU  28   1.253  -3.583  -2.653
  221    HA   LEU  28           HA       LEU  28   4.026  -3.850  -2.699
  222    HB2  LEU  28           HB2      LEU  28   1.925  -5.516  -2.679
  223    HB3  LEU  28           HB1      LEU  28   2.323  -5.600  -4.378
  224    HG   LEU  28           HG       LEU  28   4.477  -6.523  -3.906
  225   HD11  LEU  28          HD11      LEU  28   5.162  -6.936  -1.562
  226   HD12  LEU  28          HD12      LEU  28   3.797  -5.937  -1.041
  227   HD13  LEU  28          HD13      LEU  28   5.096  -5.231  -2.003
  228   HD21  LEU  28          HD21      LEU  28   2.245  -7.726  -2.279
  229   HD22  LEU  28          HD22      LEU  28   3.791  -8.537  -2.557
  230   HD23  LEU  28          HD23      LEU  28   2.737  -8.152  -3.921
  231    H    ASP  29           HN       ASP  29   1.674  -3.438  -5.248
  232    HA   ASP  29           HA       ASP  29   3.449  -3.705  -7.438
  233    HB2  ASP  29           HB2      ASP  29   0.912  -3.937  -7.418
  234    HB3  ASP  29           HB1      ASP  29   0.851  -2.182  -7.427
  235    H    GLN  30           HN       GLN  30   2.087  -0.954  -5.702
  236    HA   GLN  30           HA       GLN  30   3.278   1.097  -7.173
  237    HB2  GLN  30           HB2      GLN  30   2.663   1.026  -4.240
  238    HB3  GLN  30           HB1      GLN  30   2.836   2.462  -5.234
  239    HG2  GLN  30           HG2      GLN  30   0.649   0.401  -5.390
  240    HG3  GLN  30           HG1      GLN  30   0.528   2.075  -4.860
  241   HE21  GLN  30          HE21      GLN  30   0.874  -0.055  -7.565
  242   HE22  GLN  30          HE22      GLN  30   0.503   1.103  -8.797
  243    H    ALA  31           HN       ALA  31   4.317  -0.605  -4.283
  244    HA   ALA  31           HA       ALA  31   6.714   0.805  -3.817
  245    HB1  ALA  31           HB1      ALA  31   6.061  -2.077  -3.192
  246    HB2  ALA  31           HB2      ALA  31   5.599  -0.695  -2.194
  247    HB3  ALA  31           HB3      ALA  31   7.306  -1.090  -2.416
  248    H    ALA  32           HN       ALA  32   5.796  -1.741  -5.910
  249    HA   ALA  32           HA       ALA  32   8.385  -2.616  -6.654
  250    HB1  ALA  32           HB1      ALA  32   6.905  -3.458  -8.677
  251    HB2  ALA  32           HB2      ALA  32   5.565  -2.973  -7.618
  252    HB3  ALA  32           HB3      ALA  32   6.750  -4.179  -7.076
  253    H    SER  33           HN       SER  33   6.012  -0.356  -7.963
  254    HA   SER  33           HA       SER  33   7.424   0.368 -10.286
  255    HB2  SER  33           HB2      SER  33   5.087   0.893 -10.065
  256    HB3  SER  33           HB1      SER  33   5.383   1.824  -8.596
  257    HG   SER  33           HG       SER  33   6.608   2.531 -11.046
  258    H    VAL  34           HN       VAL  34   7.505   1.509  -6.976
  259    HA   VAL  34           HA       VAL  34   9.164   3.745  -7.315
  260    HB   VAL  34           HB       VAL  34   9.162   1.923  -4.923
  261   HG11  VAL  34          HG11      VAL  34   9.498   4.077  -3.713
  262   HG12  VAL  34          HG12      VAL  34   9.664   4.869  -5.279
  263   HG13  VAL  34          HG13      VAL  34  10.822   3.632  -4.788
  264   HG21  VAL  34          HG21      VAL  34   6.891   2.335  -5.515
  265   HG22  VAL  34          HG22      VAL  34   7.189   4.073  -5.604
  266   HG23  VAL  34          HG23      VAL  34   7.307   3.230  -4.060
  267    H    LEU  35           HN       LEU  35   9.816   0.481  -6.198
  268    HA   LEU  35           HA       LEU  35  12.546   0.891  -5.784
  269    HB2  LEU  35           HB2      LEU  35  10.561  -1.184  -5.575
  270    HB3  LEU  35           HB1      LEU  35  12.159  -1.816  -5.938
  271    HG   LEU  35           HG       LEU  35  12.949  -1.320  -3.854
  272   HD11  LEU  35          HD11      LEU  35  12.082   0.530  -2.432
  273   HD12  LEU  35          HD12      LEU  35  11.027   1.009  -3.769
  274   HD13  LEU  35          HD13      LEU  35  12.781   1.085  -3.952
  275   HD21  LEU  35          HD21      LEU  35  11.226  -2.764  -3.342
  276   HD22  LEU  35          HD22      LEU  35   9.986  -1.564  -3.717
  277   HD23  LEU  35          HD23      LEU  35  10.948  -1.415  -2.239
  278    H    GLY  36           HN       GLY  36  10.823  -0.248  -8.622
  279    HA2  GLY  36           HA2      GLY  36  12.258   0.081 -10.681
  280    HA3  GLY  36           HA1      GLY  36  13.444  -0.869  -9.800
  281    H    TYR  37           HN       TYR  37  10.225  -1.783  -9.368
  282    HA   TYR  37           HA       TYR  37  10.865  -4.303 -10.720
  283    HB2  TYR  37           HB2      TYR  37   8.742  -3.762  -8.649
  284    HB3  TYR  37           HB1      TYR  37   9.348  -5.323  -9.166
  285    HD1  TYR  37           HD1      TYR  37   9.145  -4.315  -6.349
  286    HD2  TYR  37           HD2      TYR  37  12.335  -4.195  -9.142
  287    HE1  TYR  37           HE1      TYR  37  10.738  -4.295  -4.508
  288    HE2  TYR  37           HE2      TYR  37  13.959  -4.149  -7.310
  289    HH   TYR  37           HH       TYR  37  13.068  -4.810  -4.047
  290    H    ALA  38           HN       ALA  38   8.915  -5.520 -11.524
  291    HA   ALA  38           HA       ALA  38   6.889  -3.730 -12.686
  292    HB1  ALA  38           HB1      ALA  38   8.673  -4.045 -14.351
  293    HB2  ALA  38           HB2      ALA  38   7.144  -4.755 -14.871
  294    HB3  ALA  38           HB3      ALA  38   8.433  -5.791 -14.256
  295    H    SER  39           HN       SER  39   7.573  -6.453 -10.950
  296    HA   SER  39           HA       SER  39   4.884  -7.482 -11.288
  297    HB2  SER  39           HB2      SER  39   7.335  -9.186 -11.807
  298    HB3  SER  39           HB1      SER  39   5.687  -9.806 -11.667
  299    HG   SER  39           HG       SER  39   5.797  -7.766 -13.432
  300    H    THR  40           HN       THR  40   6.438  -6.129  -9.249
  301    HA   THR  40           HA       THR  40   7.133  -6.207  -7.086
  302    HB   THR  40           HB       THR  40   5.637  -7.490  -5.547
  303    HG1  THR  40           HG1      THR  40   5.113  -8.890  -7.747
  304   HG21  THR  40          HG21      THR  40   4.354  -5.800  -7.687
  305   HG22  THR  40          HG22      THR  40   5.055  -5.236  -6.166
  306   HG23  THR  40          HG23      THR  40   3.586  -6.219  -6.156
  307    H    GLU  41           HN       GLU  41   8.661  -7.770  -8.755
  308    HA   GLU  41           HA       GLU  41   8.926 -10.454  -8.036
  309    HB2  GLU  41           HB2      GLU  41  11.214 -10.216  -9.146
  310    HB3  GLU  41           HB1      GLU  41   9.796  -9.848 -10.112
  311    HG2  GLU  41           HG2      GLU  41  11.102  -7.597  -8.710
  312    HG3  GLU  41           HG1      GLU  41  11.935  -8.300 -10.095
  313    H    SER  42           HN       SER  42  10.633  -7.608  -6.787
  314    HA   SER  42           HA       SER  42  12.131  -9.418  -5.030
  315    HB2  SER  42           HB2      SER  42  12.855  -6.566  -5.718
  316    HB3  SER  42           HB1      SER  42  13.877  -7.777  -4.944
  317    HG   SER  42           HG       SER  42  13.932  -8.930  -6.864
  318    H    LEU  43           HN       LEU  43   9.445  -8.514  -4.497
  319    HA   LEU  43           HA       LEU  43   9.909  -6.821  -2.147
  320    HB2  LEU  43           HB2      LEU  43   7.462  -7.376  -3.783
  321    HB3  LEU  43           HB1      LEU  43   7.430  -6.482  -2.272
  322    HG   LEU  43           HG       LEU  43   9.067  -5.664  -4.661
  323   HD11  LEU  43          HD11      LEU  43   7.352  -3.983  -5.032
  324   HD12  LEU  43          HD12      LEU  43   6.378  -4.698  -3.745
  325   HD13  LEU  43          HD13      LEU  43   6.719  -5.620  -5.209
  326   HD21  LEU  43          HD21      LEU  43   8.290  -4.275  -2.111
  327   HD22  LEU  43          HD22      LEU  43   9.130  -3.516  -3.462
  328   HD23  LEU  43          HD23      LEU  43   9.903  -4.823  -2.565
  329    H    ASP  44           HN       ASP  44   8.404  -7.180  -0.354
  330    HA   ASP  44           HA       ASP  44   7.391  -9.893  -0.023
  331    HB2  ASP  44           HB2      ASP  44   9.809  -9.488   1.031
  332    HB3  ASP  44           HB1      ASP  44   8.871  -8.673   2.272
  333    H    THR  45           HN       THR  45   5.611  -9.943   1.373
  334    HA   THR  45           HA       THR  45   4.607  -7.307   2.157
  335    HB   THR  45           HB       THR  45   2.465  -8.572   2.602
  336    HG1  THR  45           HG1      THR  45   3.721 -10.611   1.057
  337   HG21  THR  45          HG21      THR  45   1.912  -8.787   0.190
  338   HG22  THR  45          HG22      THR  45   3.618  -8.532  -0.178
  339   HG23  THR  45          HG23      THR  45   2.686  -7.263   0.616
  340    H    HIS  46           HN       HIS  46   6.220  -9.957   3.385
  341    HA   HIS  46           HA       HIS  46   5.120  -9.639   6.079
  342    HB2  HIS  46           HB2      HIS  46   7.130 -11.626   4.989
  343    HB3  HIS  46           HB1      HIS  46   6.544 -11.597   6.642
  344    HD1  HIS  46           HD1      HIS  46   4.944 -13.432   6.979
  345    HD2  HIS  46           HD2      HIS  46   4.596 -11.749   3.201
  346    HE1  HIS  46           HE1      HIS  46   3.099 -14.702   5.845
  347    HE2  HIS  46           HE2      HIS  46   3.075 -13.821   3.489
  348    H    GLU  47           HN       GLU  47   7.484  -8.345   4.149
  349    HA   GLU  47           HA       GLU  47   9.253  -7.814   6.427
  350    HB2  GLU  47           HB2      GLU  47  11.066  -8.260   5.186
  351    HB3  GLU  47           HB1      GLU  47   9.955  -9.086   4.110
  352    HG2  GLU  47           HG2      GLU  47   9.749  -6.940   2.830
  353    HG3  GLU  47           HG1      GLU  47  11.048  -6.302   3.842
  354    H    SER  48           HN       SER  48  10.156  -5.690   6.523
  355    HA   SER  48           HA       SER  48   8.038  -3.813   5.917
  356    HB2  SER  48           HB2      SER  48  10.568  -3.216   7.440
  357    HB3  SER  48           HB1      SER  48   8.988  -2.452   7.579
  358    HG   SER  48           HG       SER  48   8.538  -4.951   8.091
  359    H    PHE  49           HN       PHE  49   8.311  -1.861   4.895
  360    HA   PHE  49           HA       PHE  49   9.651  -1.831   2.486
  361    HB2  PHE  49           HB2      PHE  49   8.727   0.529   4.107
  362    HB3  PHE  49           HB1      PHE  49   9.166   0.587   2.406
  363    HD1  PHE  49           HD1      PHE  49   7.699  -0.259   0.722
  364    HD2  PHE  49           HD2      PHE  49   6.723  -0.595   4.839
  365    HE1  PHE  49           HE1      PHE  49   5.381  -0.816   0.119
  366    HE2  PHE  49           HE2      PHE  49   4.410  -1.148   4.250
  367    HZ   PHE  49           HZ       PHE  49   3.735  -1.259   1.895
  368    H    LYS  50           HN       LYS  50  10.724  -0.680   5.573
  369    HA   LYS  50           HA       LYS  50  13.068   0.565   5.128
  370    HB2  LYS  50           HB2      LYS  50  12.152  -0.158   7.309
  371    HB3  LYS  50           HB1      LYS  50  12.633  -1.800   6.944
  372    HG2  LYS  50           HG2      LYS  50  14.168  -0.686   8.478
  373    HG3  LYS  50           HG1      LYS  50  14.949  -1.211   6.990
  374    HD2  LYS  50           HD2      LYS  50  15.743   0.992   7.600
  375    HD3  LYS  50           HD1      LYS  50  14.781   1.094   6.126
  376    HE2  LYS  50           HE2      LYS  50  12.888   1.921   7.365
  377    HE3  LYS  50           HE1      LYS  50  13.737   1.685   8.892
  378    HZ1  LYS  50           HZ1      LYS  50  15.350   3.351   8.208
  379    HZ2  LYS  50           HZ2      LYS  50  13.788   3.995   8.200
  380    HZ3  LYS  50           HZ3      LYS  50  14.533   3.574   6.743
  381    H    ASP  51           HN       ASP  51  12.668  -2.922   5.182
  382    HA   ASP  51           HA       ASP  51  15.266  -3.528   4.224
  383    HB2  ASP  51           HB2      ASP  51  13.687  -5.052   5.524
  384    HB3  ASP  51           HB1      ASP  51  12.871  -5.333   3.993
  385    H    LEU  52           HN       LEU  52  12.253  -2.823   2.669
  386    HA   LEU  52           HA       LEU  52  12.870  -3.828   0.084
  387    HB2  LEU  52           HB2      LEU  52  10.847  -1.900   1.158
  388    HB3  LEU  52           HB1      LEU  52  11.017  -2.126  -0.556
  389    HG   LEU  52           HG       LEU  52  10.426  -4.497  -0.323
  390   HD11  LEU  52          HD11      LEU  52  11.263  -4.966   1.862
  391   HD12  LEU  52          HD12      LEU  52   9.523  -5.269   1.838
  392   HD13  LEU  52          HD13      LEU  52  10.153  -3.799   2.579
  393   HD21  LEU  52          HD21      LEU  52   8.097  -4.220   0.386
  394   HD22  LEU  52          HD22      LEU  52   8.623  -2.944  -0.719
  395   HD23  LEU  52          HD23      LEU  52   8.494  -2.619   1.009
  396    H    GLY  53           HN       GLY  53  13.742  -1.061   1.862
  397    HA2  GLY  53           HA2      GLY  53  15.697   0.111   1.191
  398    HA3  GLY  53           HA1      GLY  53  15.218  -0.094  -0.481
  399    H    PHE  54           HN       PHE  54  12.610   0.785   1.546
  400    HA   PHE  54           HA       PHE  54  12.507   3.365   0.321
  401    HB2  PHE  54           HB2      PHE  54  10.737   2.039   2.381
  402    HB3  PHE  54           HB1      PHE  54  10.448   3.646   1.725
  403    HD1  PHE  54           HD1      PHE  54   9.676   3.971  -0.481
  404    HD2  PHE  54           HD2      PHE  54  10.569   0.076   0.945
  405    HE1  PHE  54           HE1      PHE  54   8.565   3.018  -2.435
  406    HE2  PHE  54           HE2      PHE  54   9.460  -0.908  -1.004
  407    HZ   PHE  54           HZ       PHE  54   8.468   0.560  -2.730
  408    H    ASP  55           HN       ASP  55  12.185   5.351   1.504
  409    HA   ASP  55           HA       ASP  55  13.196   5.732   4.131
  410    HB2  ASP  55           HB2      ASP  55  15.281   5.300   2.547
  411    HB3  ASP  55           HB1      ASP  55  14.979   6.965   2.058
  412    H    SER  56           HN       SER  56  14.086   8.437   3.722
  413    HA   SER  56           HA       SER  56  11.530   9.690   3.365
  414    HB2  SER  56           HB2      SER  56  14.254  10.929   3.813
  415    HB3  SER  56           HB1      SER  56  12.701  11.750   3.988
  416    HG   SER  56           HG       SER  56  13.556  10.973   5.995
  417    H    LEU  57           HN       LEU  57  12.389   8.445   1.019
  418    HA   LEU  57           HA       LEU  57  12.278  10.649  -0.872
  419    HB2  LEU  57           HB2      LEU  57  14.072   8.266  -1.156
  420    HB3  LEU  57           HB1      LEU  57  13.931   9.590  -2.293
  421    HG   LEU  57           HG       LEU  57  14.935   9.892   0.528
  422   HD11  LEU  57          HD11      LEU  57  16.419   8.414  -0.696
  423   HD12  LEU  57          HD12      LEU  57  17.182   9.985  -0.452
  424   HD13  LEU  57          HD13      LEU  57  16.506   9.567  -2.027
  425   HD21  LEU  57          HD21      LEU  57  14.072  11.932  -0.433
  426   HD22  LEU  57          HD22      LEU  57  15.046  11.698  -1.884
  427   HD23  LEU  57          HD23      LEU  57  15.830  12.017  -0.338
  428    H    THR  58           HN       THR  58  12.638   7.118  -0.937
  429    HA   THR  58           HA       THR  58  10.848   6.792  -3.114
  430    HB   THR  58           HB       THR  58  11.031   4.318  -2.386
  431    HG1  THR  58           HG1      THR  58  13.346   4.789  -1.062
  432   HG21  THR  58          HG21      THR  58  13.257   4.133  -3.356
  433   HG22  THR  58          HG22      THR  58  13.526   5.857  -3.100
  434   HG23  THR  58          HG23      THR  58  12.292   5.316  -4.237
  435    H    ALA  59           HN       ALA  59  10.547   6.294   0.374
  436    HA   ALA  59           HA       ALA  59   8.020   5.162   0.440
  437    HB1  ALA  59           HB1      ALA  59   9.118   7.177   2.408
  438    HB2  ALA  59           HB2      ALA  59   9.534   5.465   2.402
  439    HB3  ALA  59           HB3      ALA  59   7.871   5.966   2.714
  440    H    LEU  60           HN       LEU  60   9.077   8.438   0.003
  441    HA   LEU  60           HA       LEU  60   6.615   9.730   0.409
  442    HB2  LEU  60           HB2      LEU  60   9.106  10.507  -1.087
  443    HB3  LEU  60           HB1      LEU  60   7.724  11.578  -0.945
  444    HG   LEU  60           HG       LEU  60   9.488  12.121   0.690
  445   HD11  LEU  60          HD11      LEU  60   8.099  12.230   2.652
  446   HD12  LEU  60          HD12      LEU  60   7.019  11.009   1.986
  447   HD13  LEU  60          HD13      LEU  60   7.144  12.591   1.215
  448   HD21  LEU  60          HD21      LEU  60  10.410   9.904   1.064
  449   HD22  LEU  60          HD22      LEU  60   8.896   9.392   1.814
  450   HD23  LEU  60          HD23      LEU  60   9.890  10.629   2.586
  451    H    GLU  61           HN       GLU  61   8.238   8.624  -2.568
  452    HA   GLU  61           HA       GLU  61   5.985   9.422  -4.170
  453    HB2  GLU  61           HB2      GLU  61   7.129   7.927  -5.929
  454    HB3  GLU  61           HB1      GLU  61   7.940   9.409  -5.428
  455    HG2  GLU  61           HG2      GLU  61   9.383   8.118  -3.953
  456    HG3  GLU  61           HG1      GLU  61   8.555   6.640  -4.433
  457    H    LEU  62           HN       LEU  62   6.977   6.487  -2.543
  458    HA   LEU  62           HA       LEU  62   5.025   4.786  -3.704
  459    HB2  LEU  62           HB2      LEU  62   6.798   3.831  -2.399
  460    HB3  LEU  62           HB1      LEU  62   6.296   4.734  -0.985
  461    HG   LEU  62           HG       LEU  62   4.183   3.491  -0.929
  462   HD11  LEU  62          HD11      LEU  62   3.911   3.017  -3.257
  463   HD12  LEU  62          HD12      LEU  62   3.938   1.501  -2.351
  464   HD13  LEU  62          HD13      LEU  62   5.359   2.011  -3.260
  465   HD21  LEU  62          HD21      LEU  62   6.205   2.739   0.276
  466   HD22  LEU  62          HD22      LEU  62   6.546   1.651  -1.070
  467   HD23  LEU  62          HD23      LEU  62   5.074   1.447  -0.118
  468    H    ARG  63           HN       ARG  63   5.030   6.750  -0.768
  469    HA   ARG  63           HA       ARG  63   2.449   6.196   0.142
  470    HB2  ARG  63           HB2      ARG  63   3.888   7.412   1.575
  471    HB3  ARG  63           HB1      ARG  63   4.293   8.577   0.324
  472    HG2  ARG  63           HG2      ARG  63   1.646   9.018   0.522
  473    HG3  ARG  63           HG1      ARG  63   2.010   8.514   2.175
  474    HD2  ARG  63           HD2      ARG  63   2.199  10.948   1.881
  475    HD3  ARG  63           HD1      ARG  63   3.729  10.211   2.346
  476    HE   ARG  63           HE       ARG  63   4.498  10.499   0.096
  477   HH11  ARG  63          HH11      ARG  63   1.463  12.106   0.818
  478   HH12  ARG  63          HH12      ARG  63   1.603  13.223  -0.506
  479   HH21  ARG  63          HH21      ARG  63   4.671  11.974  -1.642
  480   HH22  ARG  63          HH22      ARG  63   3.411  13.142  -1.900
  481    H    ASP  64           HN       ASP  64   3.768   8.606  -2.031
  482    HA   ASP  64           HA       ASP  64   1.471   9.908  -2.840
  483    HB2  ASP  64           HB2      ASP  64   3.854  10.516  -3.333
  484    HB3  ASP  64           HB1      ASP  64   3.841   9.264  -4.563
  485    H    HIS  65           HN       HIS  65   2.988   6.957  -4.071
  486    HA   HIS  65           HA       HIS  65   1.262   6.479  -6.223
  487    HB2  HIS  65           HB2      HIS  65   2.843   4.614  -4.495
  488    HB3  HIS  65           HB1      HIS  65   1.926   4.073  -5.878
  489    HD1  HIS  65           HD1      HIS  65   2.937   6.732  -7.593
  490    HD2  HIS  65           HD2      HIS  65   5.173   3.844  -5.657
  491    HE1  HIS  65           HE1      HIS  65   5.205   6.745  -8.709
  492    HE2  HIS  65           HE2      HIS  65   6.498   4.928  -7.591
  493    H    LEU  66           HN       LEU  66   1.043   5.541  -2.789
  494    HA   LEU  66           HA       LEU  66  -1.142   3.776  -3.151
  495    HB2  LEU  66           HB2      LEU  66   0.056   5.194  -0.822
  496    HB3  LEU  66           HB1      LEU  66  -1.465   4.356  -0.625
  497    HG   LEU  66           HG       LEU  66  -0.508   2.271  -0.785
  498   HD11  LEU  66          HD11      LEU  66   1.629   1.776  -1.873
  499   HD12  LEU  66          HD12      LEU  66   1.802   3.480  -2.296
  500   HD13  LEU  66          HD13      LEU  66   0.488   2.526  -2.984
  501   HD21  LEU  66          HD21      LEU  66   1.625   2.298   0.453
  502   HD22  LEU  66          HD22      LEU  66   0.393   3.339   1.164
  503   HD23  LEU  66          HD23      LEU  66   1.701   4.045   0.216
  504    H    GLN  67           HN       GLN  67  -0.935   7.185  -2.364
  505    HA   GLN  67           HA       GLN  67  -3.728   7.541  -1.863
  506    HB2  GLN  67           HB2      GLN  67  -1.877   9.706  -2.802
  507    HB3  GLN  67           HB1      GLN  67  -3.253   9.839  -1.712
  508    HG2  GLN  67           HG2      GLN  67  -2.100   8.922   0.063
  509    HG3  GLN  67           HG1      GLN  67  -0.918   8.160  -1.004
  510   HE21  GLN  67          HE21      GLN  67  -0.428  10.483  -2.587
  511   HE22  GLN  67          HE22      GLN  67   0.505  11.552  -1.619
  512    H    THR  68           HN       THR  68  -1.632   7.840  -4.658
  513    HA   THR  68           HA       THR  68  -3.568   8.838  -6.433
  514    HB   THR  68           HB       THR  68  -0.870   7.629  -6.530
  515    HG1  THR  68           HG1      THR  68  -1.542   9.971  -6.380
  516   HG21  THR  68          HG21      THR  68  -2.555   7.956  -9.012
  517   HG22  THR  68          HG22      THR  68  -1.956   6.438  -8.341
  518   HG23  THR  68          HG23      THR  68  -0.821   7.626  -8.981
  519    H    ALA  69           HN       ALA  69  -2.301   5.674  -5.727
  520    HA   ALA  69           HA       ALA  69  -3.857   4.112  -7.385
  521    HB1  ALA  69           HB1      ALA  69  -1.907   3.299  -6.243
  522    HB2  ALA  69           HB2      ALA  69  -3.301   2.289  -5.851
  523    HB3  ALA  69           HB3      ALA  69  -2.716   3.483  -4.689
  524    H    THR  70           HN       THR  70  -4.488   5.037  -3.997
  525    HA   THR  70           HA       THR  70  -6.990   3.545  -4.079
  526    HB   THR  70           HB       THR  70  -7.128   3.958  -1.673
  527    HG1  THR  70           HG1      THR  70  -4.637   5.311  -1.802
  528   HG21  THR  70          HG21      THR  70  -5.694   2.122  -2.505
  529   HG22  THR  70          HG22      THR  70  -5.121   2.791  -0.978
  530   HG23  THR  70          HG23      THR  70  -4.316   3.227  -2.485
  531    H    GLY  71           HN       GLY  71  -5.832   6.815  -3.844
  532    HA2  GLY  71           HA2      GLY  71  -7.025   8.761  -4.392
  533    HA3  GLY  71           HA1      GLY  71  -8.527   7.846  -4.303
  534    H    LEU  72           HN       LEU  72  -6.612   7.097  -1.721
  535    HA   LEU  72           HA       LEU  72  -8.272   8.720   0.055
  536    HB2  LEU  72           HB2      LEU  72  -6.670   6.199   0.396
  537    HB3  LEU  72           HB1      LEU  72  -7.230   7.108   1.783
  538    HG   LEU  72           HG       LEU  72  -8.677   5.183   1.235
  539   HD11  LEU  72          HD11      LEU  72 -10.044   7.838   0.852
  540   HD12  LEU  72          HD12      LEU  72  -9.588   7.133   2.403
  541   HD13  LEU  72          HD13      LEU  72 -10.795   6.336   1.397
  542   HD21  LEU  72          HD21      LEU  72  -8.453   5.157  -1.177
  543   HD22  LEU  72          HD22      LEU  72  -9.305   6.694  -1.288
  544   HD23  LEU  72          HD23      LEU  72 -10.147   5.256  -0.706
  545    H    ASN  73           HN       ASN  73  -6.704   8.821   2.315
  546    HA   ASN  73           HA       ASN  73  -4.607  10.654   1.366
  547    HB2  ASN  73           HB2      ASN  73  -6.643  11.799   2.262
  548    HB3  ASN  73           HB1      ASN  73  -6.335  11.033   3.818
  549   HD21  ASN  73          HD21      ASN  73  -5.274  13.422   1.541
  550   HD22  ASN  73          HD22      ASN  73  -4.169  14.235   2.592
  551    H    LEU  74           HN       LEU  74  -2.831   9.441   1.704
  552    HA   LEU  74           HA       LEU  74  -2.461   8.202   4.311
  553    HB2  LEU  74           HB2      LEU  74  -0.931   7.875   1.736
  554    HB3  LEU  74           HB1      LEU  74  -0.555   7.049   3.240
  555    HG   LEU  74           HG       LEU  74  -3.038   6.214   3.051
  556   HD11  LEU  74          HD11      LEU  74  -3.566   7.612   1.072
  557   HD12  LEU  74          HD12      LEU  74  -3.826   5.890   0.799
  558   HD13  LEU  74          HD13      LEU  74  -2.387   6.684   0.143
  559   HD21  LEU  74          HD21      LEU  74  -2.199   4.303   1.671
  560   HD22  LEU  74          HD22      LEU  74  -1.244   4.701   3.097
  561   HD23  LEU  74          HD23      LEU  74  -0.688   5.194   1.496
  562    H    SER  75           HN       SER  75   0.521   8.311   4.249
  563    HA   SER  75           HA       SER  75   0.804  11.161   4.800
  564    HB2  SER  75           HB2      SER  75  -0.295  10.075   6.807
  565    HB3  SER  75           HB1      SER  75   1.210   9.187   7.043
  566    HG   SER  75           HG       SER  75   0.874  12.012   7.041
  567    H    SER  76           HN       SER  76   3.020  11.628   5.820
  568    HA   SER  76           HA       SER  76   4.863  11.062   3.837
  569    HB2  SER  76           HB2      SER  76   5.534  11.947   6.642
  570    HB3  SER  76           HB1      SER  76   6.416  12.307   5.157
  571    HG   SER  76           HG       SER  76   5.054  14.044   5.842
  572    H    THR  77           HN       THR  77   4.678   9.614   7.088
  573    HA   THR  77           HA       THR  77   6.834   7.765   6.301
  574    HB   THR  77           HB       THR  77   7.066   7.340   8.782
  575    HG1  THR  77           HG1      THR  77   6.101   9.702   9.597
  576   HG21  THR  77          HG21      THR  77   8.318   9.434   9.189
  577   HG22  THR  77          HG22      THR  77   7.572  10.125   7.746
  578   HG23  THR  77          HG23      THR  77   8.647   8.737   7.603
  579    H    LEU  78           HN       LEU  78   4.252   7.544   5.463
  580    HA   LEU  78           HA       LEU  78   2.389   6.051   6.775
  581    HB2  LEU  78           HB2      LEU  78   2.217   7.106   4.560
  582    HB3  LEU  78           HB1      LEU  78   3.266   5.880   3.911
  583    HG   LEU  78           HG       LEU  78   0.658   5.808   3.612
  584   HD11  LEU  78          HD11      LEU  78   2.476   3.471   4.037
  585   HD12  LEU  78          HD12      LEU  78   2.053   4.277   2.513
  586   HD13  LEU  78          HD13      LEU  78   0.840   3.336   3.391
  587   HD21  LEU  78          HD21      LEU  78   1.139   4.699   6.332
  588   HD22  LEU  78          HD22      LEU  78  -0.129   4.017   5.309
  589   HD23  LEU  78          HD23      LEU  78  -0.170   5.728   5.739
  590    H    ILE  79           HN       ILE  79   4.866   4.685   4.620
  591    HA   ILE  79           HA       ILE  79   4.326   1.990   5.447
  592    HB   ILE  79           HB       ILE  79   6.120   1.383   3.953
  593   HG12  ILE  79          HG12      ILE  79   6.762   4.319   4.001
  594   HG13  ILE  79          HG11      ILE  79   7.818   2.974   4.421
  595   HG21  ILE  79          HG21      ILE  79   4.454   3.644   2.872
  596   HG22  ILE  79          HG22      ILE  79   4.036   1.925   2.889
  597   HG23  ILE  79          HG23      ILE  79   5.379   2.500   1.897
  598   HD11  ILE  79          HD11      ILE  79   7.619   2.252   2.018
  599   HD12  ILE  79          HD12      ILE  79   8.510   3.743   2.321
  600   HD13  ILE  79          HD13      ILE  79   6.852   3.818   1.722
  601    H    PHE  80           HN       PHE  80   5.796   4.294   7.143
  602    HA   PHE  80           HA       PHE  80   7.632   2.374   8.394
  603    HB2  PHE  80           HB2      PHE  80   7.787   5.394   8.346
  604    HB3  PHE  80           HB1      PHE  80   8.878   4.346   9.252
  605    HD1  PHE  80           HD1      PHE  80   9.023   6.354   6.642
  606    HD2  PHE  80           HD2      PHE  80   9.422   2.188   7.405
  607    HE1  PHE  80           HE1      PHE  80  10.406   6.115   4.624
  608    HE2  PHE  80           HE2      PHE  80  10.805   1.932   5.388
  609    HZ   PHE  80           HZ       PHE  80  11.306   3.908   3.997
  610    H    ASP  81           HN       ASP  81   4.809   4.060   8.536
  611    HA   ASP  81           HA       ASP  81   4.465   3.924  11.404
  612    HB2  ASP  81           HB2      ASP  81   3.326   5.577   9.666
  613    HB3  ASP  81           HB1      ASP  81   2.239   4.225   9.459
  614    H    HIS  82           HN       HIS  82   3.568   2.391   8.449
  615    HA   HIS  82           HA       HIS  82   2.637   0.005   9.861
  616    HB2  HIS  82           HB2      HIS  82   1.758   0.933   7.117
  617    HB3  HIS  82           HB1      HIS  82   1.045  -0.341   8.091
  618    HD1  HIS  82           HD1      HIS  82  -0.417   0.405  10.144
  619    HD2  HIS  82           HD2      HIS  82   0.973   3.516   7.752
  620    HE1  HIS  82           HE1      HIS  82  -1.667   2.447  10.898
  621    HE2  HIS  82           HE2      HIS  82  -0.620   4.347   9.617
  622    HA   PRO  83           HA       PRO  83   6.610  -0.910   8.404
  623    HB2  PRO  83           HB2      PRO  83   6.667  -3.575   9.067
  624    HB3  PRO  83           HB1      PRO  83   6.885  -2.257  10.222
  625    HG2  PRO  83           HG2      PRO  83   4.416  -3.837   9.591
  626    HG3  PRO  83           HG1      PRO  83   5.050  -3.330  11.172
  627    HD2  PRO  83           HD2      PRO  83   3.033  -2.012   9.985
  628    HD3  PRO  83           HD1      PRO  83   4.267  -1.157  10.918
  629    H    THR  84           HN       THR  84   4.054  -3.162   7.365
  630    HA   THR  84           HA       THR  84   5.756  -3.819   5.078
  631    HB   THR  84           HB       THR  84   4.670  -6.018   5.056
  632    HG1  THR  84           HG1      THR  84   3.611  -6.230   7.429
  633   HG21  THR  84          HG21      THR  84   5.848  -5.322   7.754
  634   HG22  THR  84          HG22      THR  84   6.772  -5.707   6.303
  635   HG23  THR  84          HG23      THR  84   5.746  -6.937   7.047
  636    HA   PRO  85           HA       PRO  85   2.488  -2.616   2.318
  637    HB2  PRO  85           HB2      PRO  85   2.840  -5.237   0.991
  638    HB3  PRO  85           HB1      PRO  85   2.973  -3.618   0.308
  639    HG2  PRO  85           HG2      PRO  85   5.131  -5.154   0.755
  640    HG3  PRO  85           HG1      PRO  85   5.175  -3.389   0.922
  641    HD2  PRO  85           HD2      PRO  85   5.096  -5.484   3.026
  642    HD3  PRO  85           HD1      PRO  85   5.888  -3.903   3.040
  643    H    HIS  86           HN       HIS  86   2.624  -5.499   4.072
  644    HA   HIS  86           HA       HIS  86  -0.098  -6.331   3.693
  645    HB2  HIS  86           HB2      HIS  86   1.176  -8.091   4.446
  646    HB3  HIS  86           HB1      HIS  86   2.193  -7.070   5.438
  647    HD1  HIS  86           HD1      HIS  86  -0.707  -9.326   5.616
  648    HD2  HIS  86           HD2      HIS  86   1.010  -6.360   7.971
  649    HE1  HIS  86           HE1      HIS  86  -1.640  -9.677   7.923
  650    HE2  HIS  86           HE2      HIS  86  -0.759  -7.736   9.266
  651    H    ALA  87           HN       ALA  87   1.726  -4.566   6.134
  652    HA   ALA  87           HA       ALA  87  -0.498  -4.052   7.846
  653    HB1  ALA  87           HB1      ALA  87   1.028  -2.603   9.063
  654    HB2  ALA  87           HB2      ALA  87   2.168  -2.642   7.718
  655    HB3  ALA  87           HB3      ALA  87   1.844  -4.110   8.646
  656    H    VAL  88           HN       VAL  88   0.822  -2.655   5.086
  657    HA   VAL  88           HA       VAL  88  -0.354  -0.040   5.488
  658    HB   VAL  88           HB       VAL  88   1.157  -1.284   3.214
  659   HG11  VAL  88          HG11      VAL  88  -0.389   0.260   2.263
  660   HG12  VAL  88          HG12      VAL  88   1.220   0.986   2.233
  661   HG13  VAL  88          HG13      VAL  88   0.045   1.491   3.446
  662   HG21  VAL  88          HG21      VAL  88   1.912   0.854   5.196
  663   HG22  VAL  88          HG22      VAL  88   2.904   0.335   3.832
  664   HG23  VAL  88          HG23      VAL  88   2.535  -0.799   5.132
  665    H    ALA  89           HN       ALA  89  -0.804  -2.840   3.377
  666    HA   ALA  89           HA       ALA  89  -2.930  -1.782   1.901
  667    HB1  ALA  89           HB1      ALA  89  -2.357  -4.655   2.603
  668    HB2  ALA  89           HB2      ALA  89  -1.817  -3.779   1.169
  669    HB3  ALA  89           HB3      ALA  89  -3.531  -4.119   1.398
  670    H    GLU  90           HN       GLU  90  -2.918  -3.566   5.021
  671    HA   GLU  90           HA       GLU  90  -5.777  -3.564   5.175
  672    HB2  GLU  90           HB2      GLU  90  -5.335  -4.087   7.612
  673    HB3  GLU  90           HB1      GLU  90  -4.640  -5.209   6.449
  674    HG2  GLU  90           HG2      GLU  90  -2.489  -4.060   6.659
  675    HG3  GLU  90           HG1      GLU  90  -3.184  -3.013   7.889
  676    H    HIS  91           HN       HIS  91  -3.222  -1.406   6.078
  677    HA   HIS  91           HA       HIS  91  -4.709   0.415   7.580
  678    HB2  HIS  91           HB2      HIS  91  -2.359   0.623   7.693
  679    HB3  HIS  91           HB1      HIS  91  -2.196   0.675   5.937
  680    HD1  HIS  91           HD1      HIS  91  -3.549   2.807   8.784
  681    HD2  HIS  91           HD2      HIS  91  -2.138   3.145   4.892
  682    HE1  HIS  91           HE1      HIS  91  -3.446   5.276   8.320
  683    HE2  HIS  91           HE2      HIS  91  -2.765   5.455   5.906
  684    H    LEU  92           HN       LEU  92  -4.535  -0.222   4.199
  685    HA   LEU  92           HA       LEU  92  -5.682   2.263   3.389
  686    HB2  LEU  92           HB2      LEU  92  -4.865  -0.261   2.061
  687    HB3  LEU  92           HB1      LEU  92  -6.095   0.705   1.255
  688    HG   LEU  92           HG       LEU  92  -4.650   2.489   0.890
  689   HD11  LEU  92          HD11      LEU  92  -3.052   1.387   3.169
  690   HD12  LEU  92          HD12      LEU  92  -3.750   3.001   2.978
  691   HD13  LEU  92          HD13      LEU  92  -2.346   2.519   2.022
  692   HD21  LEU  92          HD21      LEU  92  -2.625   1.573  -0.079
  693   HD22  LEU  92          HD22      LEU  92  -4.016   0.553  -0.449
  694   HD23  LEU  92          HD23      LEU  92  -2.874   0.067   0.805
  695    H    LEU  93           HN       LEU  93  -6.878  -0.537   4.781
  696    HA   LEU  93           HA       LEU  93  -9.563  -0.404   3.723
  697    HB2  LEU  93           HB2      LEU  93  -8.369  -1.849   6.063
  698    HB3  LEU  93           HB1      LEU  93 -10.090  -1.857   5.746
  699    HG   LEU  93           HG       LEU  93  -9.865  -3.207   3.862
  700   HD11  LEU  93          HD11      LEU  93  -6.934  -2.497   3.852
  701   HD12  LEU  93          HD12      LEU  93  -8.151  -1.999   2.675
  702   HD13  LEU  93          HD13      LEU  93  -7.686  -3.697   2.792
  703   HD21  LEU  93          HD21      LEU  93  -9.352  -4.330   5.997
  704   HD22  LEU  93          HD22      LEU  93  -7.632  -4.067   5.686
  705   HD23  LEU  93          HD23      LEU  93  -8.584  -5.093   4.607
  706    H    GLU  94           HN       GLU  94  -7.736   0.764   6.374
  707    HA   GLU  94           HA       GLU  94  -9.747   1.680   8.085
  708    HB2  GLU  94           HB2      GLU  94  -6.935   2.567   7.514
  709    HB3  GLU  94           HB1      GLU  94  -7.895   3.281   8.814
  710    HG2  GLU  94           HG2      GLU  94  -6.956   0.438   8.538
  711    HG3  GLU  94           HG1      GLU  94  -6.502   1.613   9.771
  712    H    GLN  95           HN       GLN  95  -8.471   2.903   5.123
  713    HA   GLN  95           HA       GLN  95  -9.489   5.571   5.385
  714    HB2  GLN  95           HB2      GLN  95  -8.631   4.199   2.856
  715    HB3  GLN  95           HB1      GLN  95  -8.467   5.896   3.291
  716    HG2  GLN  95           HG2      GLN  95  -6.987   3.661   4.638
  717    HG3  GLN  95           HG1      GLN  95  -6.345   4.605   3.304
  718   HE21  GLN  95          HE21      GLN  95  -5.484   4.283   6.070
  719   HE22  GLN  95          HE22      GLN  95  -5.381   5.883   6.720
  720    H    ILE  96           HN       ILE  96 -10.675   2.532   4.445
  721    HA   ILE  96           HA       ILE  96 -12.380   3.355   2.321
  722    HB   ILE  96           HB       ILE  96 -12.193   0.775   3.842
  723   HG12  ILE  96          HG12      ILE  96 -10.107   1.580   2.854
  724   HG13  ILE  96          HG11      ILE  96 -10.668   0.112   2.092
  725   HG21  ILE  96          HG21      ILE  96 -13.245   1.169   1.064
  726   HG22  ILE  96          HG22      ILE  96 -14.276   1.046   2.490
  727   HG23  ILE  96          HG23      ILE  96 -13.250  -0.310   2.024
  728   HD11  ILE  96          HD11      ILE  96  -9.762   1.807   0.522
  729   HD12  ILE  96          HD12      ILE  96 -11.095   2.873   0.981
  730   HD13  ILE  96          HD13      ILE  96 -11.429   1.339   0.177
  731    HA   PRO  97           HA       PRO  97 -15.868   4.645   4.558
  732    HB2  PRO  97           HB2      PRO  97 -17.646   4.679   2.575
  733    HB3  PRO  97           HB1      PRO  97 -16.231   5.740   2.556
  734    HG2  PRO  97           HG2      PRO  97 -16.600   3.091   1.205
  735    HG3  PRO  97           HG1      PRO  97 -16.025   4.609   0.507
  736    HD2  PRO  97           HD2      PRO  97 -14.342   2.681   1.321
  737    HD3  PRO  97           HD1      PRO  97 -13.946   4.393   1.457
  738    H    GLY  98           HN       GLY  98 -15.962   2.587   5.875
  739    HA2  GLY  98           HA2      GLY  98 -17.549   1.296   6.967
  740    HA3  GLY  98           HA1      GLY  98 -18.673   1.642   5.666
  741    H    ILE  99           HN       ILE  99 -17.665   0.595   3.481
  742    HA   ILE  99           HA       ILE  99 -18.087  -2.147   3.601
  743    HB   ILE  99           HB       ILE  99 -16.563  -2.056   1.418
  744   HG12  ILE  99          HG12      ILE  99 -17.569   0.728   1.294
  745   HG13  ILE  99          HG11      ILE  99 -16.138   0.449   2.283
  746   HG21  ILE  99          HG21      ILE  99 -19.325  -0.875   1.629
  747   HG22  ILE  99          HG22      ILE  99 -18.925  -2.585   1.453
  748   HG23  ILE  99          HG23      ILE  99 -18.565  -1.456   0.148
  749   HD11  ILE  99          HD11      ILE  99 -15.517   1.112   0.058
  750   HD12  ILE  99          HD12      ILE  99 -16.443  -0.229  -0.630
  751   HD13  ILE  99          HD13      ILE  99 -15.017  -0.553   0.367
  752    H    GLY 100           HN       GLY 100 -15.170  -0.357   4.162
  753    HA2  GLY 100           HA2      GLY 100 -13.579  -2.807   4.108
  754    HA3  GLY 100           HA1      GLY 100 -12.955  -1.162   4.114
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -7.109  12.302  -0.485
    2    H2   GLY   1           HT2      GLY   1  -8.199  11.228  -1.207
    3    H3   GLY   1           HT3      GLY   1  -8.666  12.122   0.152
    4    HA2  GLY   1           HA1      GLY   1  -8.486  14.177  -1.093
    5    HA3  GLY   1           HA2      GLY   1  -7.993  13.253  -2.504
    6    H    SER   2           HN       SER   2  -9.753  13.978  -3.731
    7    HA   SER   2           HA       SER   2 -12.444  13.499  -2.780
    8    HB2  SER   2           HB2      SER   2 -12.961  14.334  -5.185
    9    HB3  SER   2           HB1      SER   2 -12.279  15.476  -4.028
   10    HG   SER   2           HG       SER   2 -11.317  14.854  -6.378
   11    H    THR   3           HN       THR   3 -10.058  11.866  -4.618
   12    HA   THR   3           HA       THR   3 -11.851  10.145  -6.058
   13    HB   THR   3           HB       THR   3  -8.926   9.655  -5.487
   14    HG1  THR   3           HG1      THR   3 -10.137  11.628  -6.974
   15   HG21  THR   3          HG21      THR   3 -10.157   7.797  -6.519
   16   HG22  THR   3          HG22      THR   3  -8.979   8.487  -7.634
   17   HG23  THR   3          HG23      THR   3 -10.689   8.874  -7.812
   18    H    ALA   4           HN       ALA   4 -12.431   8.046  -5.552
   19    HA   ALA   4           HA       ALA   4 -11.225   6.533  -3.452
   20    HB1  ALA   4           HB1      ALA   4 -12.537   8.015  -2.026
   21    HB2  ALA   4           HB2      ALA   4 -13.192   6.379  -1.977
   22    HB3  ALA   4           HB3      ALA   4 -13.998   7.624  -2.930
   23    H    THR   5           HN       THR   5 -14.283   6.993  -5.210
   24    HA   THR   5           HA       THR   5 -15.144   4.405  -5.482
   25    HB   THR   5           HB       THR   5 -15.239   6.394  -7.744
   26    HG1  THR   5           HG1      THR   5 -17.372   6.496  -6.077
   27   HG21  THR   5          HG21      THR   5 -17.203   4.307  -6.786
   28   HG22  THR   5          HG22      THR   5 -16.165   4.163  -8.204
   29   HG23  THR   5          HG23      THR   5 -17.432   5.388  -8.158
   30    H    LEU   6           HN       LEU   6 -12.422   5.864  -6.971
   31    HA   LEU   6           HA       LEU   6 -11.831   4.123  -9.033
   32    HB2  LEU   6           HB2      LEU   6 -10.464   6.034  -8.732
   33    HB3  LEU   6           HB1      LEU   6 -10.111   5.606  -7.070
   34    HG   LEU   6           HG       LEU   6  -8.708   3.755  -7.810
   35   HD11  LEU   6          HD11      LEU   6  -8.156   3.483 -10.182
   36   HD12  LEU   6          HD12      LEU   6  -9.346   4.714 -10.602
   37   HD13  LEU   6          HD13      LEU   6  -9.869   3.193  -9.880
   38   HD21  LEU   6          HD21      LEU   6  -6.896   5.079  -8.734
   39   HD22  LEU   6          HD22      LEU   6  -7.754   5.988  -7.489
   40   HD23  LEU   6          HD23      LEU   6  -8.031   6.348  -9.192
   41    H    LEU   7           HN       LEU   7 -10.513   3.873  -5.726
   42    HA   LEU   7           HA       LEU   7  -9.907   1.086  -6.201
   43    HB2  LEU   7           HB2      LEU   7  -8.836   3.108  -4.586
   44    HB3  LEU   7           HB1      LEU   7  -9.540   1.943  -3.478
   45    HG   LEU   7           HG       LEU   7  -7.141   1.500  -3.970
   46   HD11  LEU   7          HD11      LEU   7  -8.769  -0.213  -3.219
   47   HD12  LEU   7          HD12      LEU   7  -7.441  -0.876  -4.176
   48   HD13  LEU   7          HD13      LEU   7  -9.036  -0.650  -4.908
   49   HD21  LEU   7          HD21      LEU   7  -6.457   0.685  -6.089
   50   HD22  LEU   7          HD22      LEU   7  -7.347   2.180  -6.402
   51   HD23  LEU   7          HD23      LEU   7  -8.116   0.618  -6.677
   52    H    THR   8           HN       THR   8 -12.187   3.000  -4.452
   53    HA   THR   8           HA       THR   8 -13.185   1.137  -2.637
   54    HB   THR   8           HB       THR   8 -14.413   3.492  -4.007
   55    HG1  THR   8           HG1      THR   8 -12.845   3.958  -2.468
   56   HG21  THR   8          HG21      THR   8 -16.280   2.022  -3.493
   57   HG22  THR   8          HG22      THR   8 -16.272   3.395  -2.385
   58   HG23  THR   8          HG23      THR   8 -15.690   1.823  -1.846
   59    H    SER   9           HN       SER   9 -13.858   1.558  -6.053
   60    HA   SER   9           HA       SER   9 -16.083  -0.184  -6.221
   61    HB2  SER   9           HB2      SER   9 -14.047   0.788  -8.219
   62    HB3  SER   9           HB1      SER   9 -15.351  -0.317  -8.678
   63    HG   SER   9           HG       SER   9 -15.413   2.374  -7.998
   64    H    LYS  10           HN       LYS  10 -12.661  -0.670  -6.027
   65    HA   LYS  10           HA       LYS  10 -12.596  -3.415  -6.779
   66    HB2  LYS  10           HB2      LYS  10 -10.578  -1.889  -6.628
   67    HB3  LYS  10           HB1      LYS  10 -10.745  -1.960  -4.877
   68    HG2  LYS  10           HG2      LYS  10  -9.030  -3.470  -5.534
   69    HG3  LYS  10           HG1      LYS  10 -10.419  -4.402  -4.985
   70    HD2  LYS  10           HD2      LYS  10 -10.337  -3.835  -7.873
   71    HD3  LYS  10           HD1      LYS  10  -9.069  -4.902  -7.273
   72    HE2  LYS  10           HE2      LYS  10 -10.707  -6.402  -6.347
   73    HE3  LYS  10           HE1      LYS  10 -12.015  -5.297  -6.764
   74    HZ1  LYS  10           HZ1      LYS  10 -10.229  -6.596  -8.743
   75    HZ2  LYS  10           HZ2      LYS  10 -11.604  -5.664  -9.074
   76    HZ3  LYS  10           HZ3      LYS  10 -11.762  -7.167  -8.320
   77    H    LEU  11           HN       LEU  11 -12.382  -1.818  -3.620
   78    HA   LEU  11           HA       LEU  11 -12.428  -4.166  -2.098
   79    HB2  LEU  11           HB2      LEU  11 -13.334  -1.427  -1.237
   80    HB3  LEU  11           HB1      LEU  11 -12.951  -2.755  -0.169
   81    HG   LEU  11           HG       LEU  11 -11.002  -1.596  -0.020
   82   HD11  LEU  11          HD11      LEU  11 -10.536  -3.833  -0.968
   83   HD12  LEU  11          HD12      LEU  11  -9.301  -2.631  -1.362
   84   HD13  LEU  11          HD13      LEU  11 -10.496  -3.100  -2.578
   85   HD21  LEU  11          HD21      LEU  11 -11.850   0.141  -1.650
   86   HD22  LEU  11          HD22      LEU  11 -11.081  -0.813  -2.923
   87   HD23  LEU  11          HD23      LEU  11 -10.105  -0.120  -1.626
   88    H    ALA  12           HN       ALA  12 -15.008  -2.309  -3.451
   89    HA   ALA  12           HA       ALA  12 -17.157  -3.250  -1.932
   90    HB1  ALA  12           HB1      ALA  12 -18.537  -2.617  -3.830
   91    HB2  ALA  12           HB2      ALA  12 -17.107  -2.549  -4.863
   92    HB3  ALA  12           HB3      ALA  12 -17.293  -1.399  -3.537
   93    H    GLY  13           HN       GLY  13 -15.233  -4.780  -4.369
   94    HA2  GLY  13           HA2      GLY  13 -17.119  -6.969  -4.743
   95    HA3  GLY  13           HA1      GLY  13 -15.568  -6.767  -5.547
   96    H    LEU  14           HN       LEU  14 -14.634  -6.170  -2.593
   97    HA   LEU  14           HA       LEU  14 -13.998  -8.968  -2.018
   98    HB2  LEU  14           HB2      LEU  14 -12.700  -6.411  -1.183
   99    HB3  LEU  14           HB1      LEU  14 -12.250  -7.949  -0.540
  100    HG   LEU  14           HG       LEU  14 -10.670  -7.834  -2.108
  101   HD11  LEU  14          HD11      LEU  14 -12.960  -8.651  -3.872
  102   HD12  LEU  14          HD12      LEU  14 -12.086  -9.710  -2.761
  103   HD13  LEU  14          HD13      LEU  14 -11.249  -8.991  -4.142
  104   HD21  LEU  14          HD21      LEU  14 -11.165  -5.578  -2.685
  105   HD22  LEU  14          HD22      LEU  14 -12.526  -6.086  -3.686
  106   HD23  LEU  14          HD23      LEU  14 -10.879  -6.498  -4.163
  107    H    THR  15           HN       THR  15 -13.610  -9.425   0.241
  108    HA   THR  15           HA       THR  15 -15.399  -8.041   2.101
  109    HB   THR  15           HB       THR  15 -15.105  -9.968   3.533
  110    HG1  THR  15           HG1      THR  15 -13.659 -11.715   2.482
  111   HG21  THR  15          HG21      THR  15 -15.858 -11.810   2.070
  112   HG22  THR  15          HG22      THR  15 -15.371 -10.864   0.658
  113   HG23  THR  15          HG23      THR  15 -16.683 -10.295   1.693
  114    H    ALA  16           HN       ALA  16 -14.244  -7.680   4.321
  115    HA   ALA  16           HA       ALA  16 -12.224  -5.854   4.033
  116    HB1  ALA  16           HB1      ALA  16 -11.760  -6.139   6.419
  117    HB2  ALA  16           HB2      ALA  16 -12.649  -7.663   6.416
  118    HB3  ALA  16           HB3      ALA  16 -13.494  -6.148   6.100
  119    H    THR  17           HN       THR  17 -11.841  -9.330   4.561
  120    HA   THR  17           HA       THR  17  -9.039  -9.333   4.842
  121    HB   THR  17           HB       THR  17 -10.854 -11.563   3.915
  122    HG1  THR  17           HG1      THR  17 -11.544 -11.144   5.927
  123   HG21  THR  17          HG21      THR  17  -8.090 -11.647   5.120
  124   HG22  THR  17          HG22      THR  17  -8.488 -11.975   3.434
  125   HG23  THR  17          HG23      THR  17  -9.083 -13.044   4.706
  126    H    GLU  18           HN       GLU  18 -11.108  -9.855   1.969
  127    HA   GLU  18           HA       GLU  18  -8.907 -10.344   0.270
  128    HB2  GLU  18           HB2      GLU  18 -11.761  -9.608  -0.320
  129    HB3  GLU  18           HB1      GLU  18 -10.594 -10.144  -1.506
  130    HG2  GLU  18           HG2      GLU  18 -10.425 -12.285  -0.370
  131    HG3  GLU  18           HG1      GLU  18 -11.579 -11.723   0.833
  132    H    GLN  19           HN       GLN  19 -10.700  -7.550   1.303
  133    HA   GLN  19           HA       GLN  19  -9.720  -5.666  -0.537
  134    HB2  GLN  19           HB2      GLN  19 -10.480  -5.333   2.364
  135    HB3  GLN  19           HB1      GLN  19 -10.287  -4.018   1.221
  136    HG2  GLN  19           HG2      GLN  19 -12.102  -4.827  -0.085
  137    HG3  GLN  19           HG1      GLN  19 -12.242  -6.255   0.910
  138   HE21  GLN  19          HE21      GLN  19 -14.288  -4.429   0.324
  139   HE22  GLN  19          HE22      GLN  19 -14.794  -3.719   1.823
  140    H    ARG  20           HN       ARG  20  -8.480  -6.893   2.530
  141    HA   ARG  20           HA       ARG  20  -6.080  -5.432   2.648
  142    HB2  ARG  20           HB2      ARG  20  -6.118  -8.368   3.299
  143    HB3  ARG  20           HB1      ARG  20  -5.253  -7.072   4.113
  144    HG2  ARG  20           HG2      ARG  20  -7.348  -6.248   5.009
  145    HG3  ARG  20           HG1      ARG  20  -8.225  -7.546   4.191
  146    HD2  ARG  20           HD2      ARG  20  -7.931  -8.192   6.460
  147    HD3  ARG  20           HD1      ARG  20  -6.823  -9.155   5.493
  148    HE   ARG  20           HE       ARG  20  -5.207  -7.199   6.249
  149   HH11  ARG  20          HH11      ARG  20  -7.554  -9.015   8.109
  150   HH12  ARG  20          HH12      ARG  20  -6.683  -8.855   9.600
  151   HH21  ARG  20          HH21      ARG  20  -4.053  -6.989   8.236
  152   HH22  ARG  20          HH22      ARG  20  -4.712  -7.714   9.670
  153    H    ALA  21           HN       ALA  21  -6.910  -8.446   1.066
  154    HA   ALA  21           HA       ALA  21  -4.345  -9.141   0.162
  155    HB1  ALA  21           HB1      ALA  21  -5.474 -10.759  -1.255
  156    HB2  ALA  21           HB2      ALA  21  -7.009  -9.929  -0.997
  157    HB3  ALA  21           HB3      ALA  21  -6.198 -10.723   0.353
  158    H    VAL  22           HN       VAL  22  -6.876  -7.256  -1.405
  159    HA   VAL  22           HA       VAL  22  -5.651  -7.402  -3.973
  160    HB   VAL  22           HB       VAL  22  -7.293  -5.617  -4.621
  161   HG11  VAL  22          HG11      VAL  22  -7.695  -8.095  -4.731
  162   HG12  VAL  22          HG12      VAL  22  -9.147  -7.106  -4.612
  163   HG13  VAL  22          HG13      VAL  22  -8.543  -7.952  -3.188
  164   HG21  VAL  22          HG21      VAL  22  -8.175  -5.963  -1.753
  165   HG22  VAL  22          HG22      VAL  22  -9.092  -5.118  -3.002
  166   HG23  VAL  22          HG23      VAL  22  -7.527  -4.493  -2.484
  167    H    THR  23           HN       THR  23  -5.642  -4.828  -1.469
  168    HA   THR  23           HA       THR  23  -3.700  -3.492  -3.172
  169    HB   THR  23           HB       THR  23  -5.211  -1.989  -2.289
  170    HG1  THR  23           HG1      THR  23  -2.780  -1.702  -0.886
  171   HG21  THR  23          HG21      THR  23  -4.381  -2.758   0.479
  172   HG22  THR  23          HG22      THR  23  -5.894  -3.256  -0.273
  173   HG23  THR  23          HG23      THR  23  -5.584  -1.546   0.047
  174    H    ARG  24           HN       ARG  24  -3.646  -5.749  -0.655
  175    HA   ARG  24           HA       ARG  24  -0.960  -5.285   0.157
  176    HB2  ARG  24           HB2      ARG  24  -2.377  -6.973   1.248
  177    HB3  ARG  24           HB1      ARG  24  -2.469  -7.880  -0.249
  178    HG2  ARG  24           HG2      ARG  24   0.161  -7.878   0.012
  179    HG3  ARG  24           HG1      ARG  24  -0.265  -7.670   1.713
  180    HD2  ARG  24           HD2      ARG  24  -1.801  -9.633   1.466
  181    HD3  ARG  24           HD1      ARG  24  -1.119  -9.877  -0.140
  182    HE   ARG  24           HE       ARG  24   1.074 -10.131   1.058
  183   HH11  ARG  24          HH11      ARG  24  -1.956 -10.847   2.662
  184   HH12  ARG  24          HH12      ARG  24  -1.253 -12.011   3.738
  185   HH21  ARG  24          HH21      ARG  24   2.002 -11.635   2.491
  186   HH22  ARG  24          HH22      ARG  24   0.991 -12.463   3.639
  187    H    LYS  25           HN       LYS  25  -2.511  -6.082  -2.691
  188    HA   LYS  25           HA       LYS  25  -0.133  -6.969  -4.066
  189    HB2  LYS  25           HB2      LYS  25  -1.913  -8.242  -4.780
  190    HB3  LYS  25           HB1      LYS  25  -3.075  -6.964  -4.511
  191    HG2  LYS  25           HG2      LYS  25  -2.955  -7.450  -6.842
  192    HG3  LYS  25           HG1      LYS  25  -2.296  -5.847  -6.531
  193    HD2  LYS  25           HD2      LYS  25  -0.016  -6.794  -6.648
  194    HD3  LYS  25           HD1      LYS  25  -0.711  -8.375  -7.014
  195    HE2  LYS  25           HE2      LYS  25  -1.767  -7.400  -9.024
  196    HE3  LYS  25           HE1      LYS  25  -0.968  -5.869  -8.671
  197    HZ1  LYS  25           HZ1      LYS  25   1.162  -6.937  -8.946
  198    HZ2  LYS  25           HZ2      LYS  25   0.221  -7.184 -10.327
  199    HZ3  LYS  25           HZ3      LYS  25   0.423  -8.434  -9.211
  200    H    LEU  26           HN       LEU  26  -2.440  -4.241  -3.834
  201    HA   LEU  26           HA       LEU  26  -1.309  -2.752  -5.949
  202    HB2  LEU  26           HB2      LEU  26  -3.578  -2.388  -5.280
  203    HB3  LEU  26           HB1      LEU  26  -3.080  -1.969  -3.658
  204    HG   LEU  26           HG       LEU  26  -3.813  -0.098  -5.247
  205   HD11  LEU  26          HD11      LEU  26  -2.743   0.053  -2.999
  206   HD12  LEU  26          HD12      LEU  26  -2.500   1.443  -4.066
  207   HD13  LEU  26          HD13      LEU  26  -1.205   0.265  -3.840
  208   HD21  LEU  26          HD21      LEU  26  -2.420  -0.777  -7.139
  209   HD22  LEU  26          HD22      LEU  26  -0.985  -0.414  -6.185
  210   HD23  LEU  26          HD23      LEU  26  -2.106   0.880  -6.621
  211    H    VAL  27           HN       VAL  27  -0.972  -2.320  -2.377
  212    HA   VAL  27           HA       VAL  27   0.861  -0.221  -2.516
  213    HB   VAL  27           HB       VAL  27  -0.078  -0.784  -0.355
  214   HG11  VAL  27          HG11      VAL  27  -0.343  -3.137  -0.491
  215   HG12  VAL  27          HG12      VAL  27   0.743  -2.813   0.864
  216   HG13  VAL  27          HG13      VAL  27   1.390  -3.385  -0.677
  217   HG21  VAL  27          HG21      VAL  27   2.901  -1.291  -0.361
  218   HG22  VAL  27          HG22      VAL  27   1.938  -0.777   1.028
  219   HG23  VAL  27          HG23      VAL  27   2.125   0.297  -0.360
  220    H    LEU  28           HN       LEU  28   1.225  -3.620  -2.710
  221    HA   LEU  28           HA       LEU  28   3.998  -3.888  -2.766
  222    HB2  LEU  28           HB2      LEU  28   1.877  -5.549  -2.783
  223    HB3  LEU  28           HB1      LEU  28   2.324  -5.633  -4.471
  224    HG   LEU  28           HG       LEU  28   4.453  -6.568  -3.946
  225   HD11  LEU  28          HD11      LEU  28   3.736  -5.942  -1.097
  226   HD12  LEU  28          HD12      LEU  28   5.053  -5.254  -2.050
  227   HD13  LEU  28          HD13      LEU  28   5.099  -6.954  -1.584
  228   HD21  LEU  28          HD21      LEU  28   2.696  -8.187  -3.956
  229   HD22  LEU  28          HD22      LEU  28   2.203  -7.742  -2.320
  230   HD23  LEU  28          HD23      LEU  28   3.748  -8.564  -2.585
  231    H    ASP  29           HN       ASP  29   1.637  -3.447  -5.314
  232    HA   ASP  29           HA       ASP  29   3.413  -3.649  -7.510
  233    HB2  ASP  29           HB2      ASP  29   0.886  -3.866  -7.564
  234    HB3  ASP  29           HB1      ASP  29   0.817  -2.117  -7.436
  235    H    GLN  30           HN       GLN  30   2.048  -0.946  -5.710
  236    HA   GLN  30           HA       GLN  30   3.232   1.139  -7.124
  237    HB2  GLN  30           HB2      GLN  30   2.610   0.986  -4.196
  238    HB3  GLN  30           HB1      GLN  30   2.788   2.451  -5.145
  239    HG2  GLN  30           HG2      GLN  30   0.603   0.395  -5.366
  240    HG3  GLN  30           HG1      GLN  30   0.481   2.059  -4.810
  241   HE21  GLN  30          HE21      GLN  30   0.802  -0.026  -7.541
  242   HE22  GLN  30          HE22      GLN  30   0.454   1.158  -8.754
  243    H    ALA  31           HN       ALA  31   4.291  -0.602  -4.262
  244    HA   ALA  31           HA       ALA  31   6.686   0.807  -3.787
  245    HB1  ALA  31           HB1      ALA  31   6.055  -2.089  -3.205
  246    HB2  ALA  31           HB2      ALA  31   5.583  -0.725  -2.183
  247    HB3  ALA  31           HB3      ALA  31   7.293  -1.102  -2.417
  248    H    ALA  32           HN       ALA  32   5.770  -1.713  -5.911
  249    HA   ALA  32           HA       ALA  32   8.357  -2.570  -6.681
  250    HB1  ALA  32           HB1      ALA  32   5.536  -2.902  -7.648
  251    HB2  ALA  32           HB2      ALA  32   6.721  -4.128  -7.146
  252    HB3  ALA  32           HB3      ALA  32   6.867  -3.356  -8.725
  253    H    SER  33           HN       SER  33   5.971  -0.300  -7.947
  254    HA   SER  33           HA       SER  33   7.358   0.461 -10.267
  255    HB2  SER  33           HB2      SER  33   5.023   0.994  -9.997
  256    HB3  SER  33           HB1      SER  33   5.352   1.908  -8.524
  257    HG   SER  33           HG       SER  33   6.552   2.638 -10.976
  258    H    VAL  34           HN       VAL  34   7.469   1.584  -6.945
  259    HA   VAL  34           HA       VAL  34   9.128   3.819  -7.269
  260    HB   VAL  34           HB       VAL  34   9.144   1.956  -4.909
  261   HG11  VAL  34          HG11      VAL  34  10.824   3.665  -4.792
  262   HG12  VAL  34          HG12      VAL  34   9.533   4.067  -3.656
  263   HG13  VAL  34          HG13      VAL  34   9.646   4.910  -5.200
  264   HG21  VAL  34          HG21      VAL  34   7.193   4.152  -5.498
  265   HG22  VAL  34          HG22      VAL  34   7.312   3.231  -3.999
  266   HG23  VAL  34          HG23      VAL  34   6.868   2.419  -5.495
  267    H    LEU  35           HN       LEU  35   9.800   0.572  -6.148
  268    HA   LEU  35           HA       LEU  35  12.519   0.960  -5.757
  269    HB2  LEU  35           HB2      LEU  35  10.540  -1.127  -5.602
  270    HB3  LEU  35           HB1      LEU  35  12.137  -1.746  -5.990
  271    HG   LEU  35           HG       LEU  35  12.938  -1.302  -3.895
  272   HD11  LEU  35          HD11      LEU  35  12.754   1.107  -3.928
  273   HD12  LEU  35          HD12      LEU  35  12.062   0.507  -2.421
  274   HD13  LEU  35          HD13      LEU  35  11.001   1.012  -3.742
  275   HD21  LEU  35          HD21      LEU  35  11.210  -2.769  -3.436
  276   HD22  LEU  35          HD22      LEU  35   9.973  -1.546  -3.734
  277   HD23  LEU  35          HD23      LEU  35  10.964  -1.468  -2.269
  278    H    GLY  36           HN       GLY  36  10.790  -0.150  -8.606
  279    HA2  GLY  36           HA2      GLY  36  12.216   0.280 -10.665
  280    HA3  GLY  36           HA1      GLY  36  13.408  -0.701  -9.823
  281    H    TYR  37           HN       TYR  37  10.204  -1.651  -9.381
  282    HA   TYR  37           HA       TYR  37  10.863  -4.133 -10.789
  283    HB2  TYR  37           HB2      TYR  37   8.717  -3.639  -8.730
  284    HB3  TYR  37           HB1      TYR  37   9.323  -5.191  -9.279
  285    HD1  TYR  37           HD1      TYR  37   9.102  -4.287  -6.447
  286    HD2  TYR  37           HD2      TYR  37  12.308  -4.028  -9.210
  287    HE1  TYR  37           HE1      TYR  37  10.684  -4.317  -4.595
  288    HE2  TYR  37           HE2      TYR  37  13.920  -4.031  -7.369
  289    HH   TYR  37           HH       TYR  37  13.941  -3.483  -4.927
  290    H    ALA  38           HN       ALA  38   8.954  -5.356 -11.630
  291    HA   ALA  38           HA       ALA  38   6.921  -3.568 -12.785
  292    HB1  ALA  38           HB1      ALA  38   8.402  -5.691 -14.329
  293    HB2  ALA  38           HB2      ALA  38   8.725  -3.959 -14.430
  294    HB3  ALA  38           HB3      ALA  38   7.166  -4.597 -14.954
  295    H    SER  39           HN       SER  39   7.622  -6.366 -11.086
  296    HA   SER  39           HA       SER  39   4.911  -7.366 -11.444
  297    HB2  SER  39           HB2      SER  39   7.361  -9.089 -11.886
  298    HB3  SER  39           HB1      SER  39   5.698  -9.673 -11.841
  299    HG   SER  39           HG       SER  39   5.816  -7.674 -13.586
  300    H    THR  40           HN       THR  40   6.483  -6.049  -9.353
  301    HA   THR  40           HA       THR  40   7.139  -6.174  -7.183
  302    HB   THR  40           HB       THR  40   5.612  -7.461  -5.679
  303    HG1  THR  40           HG1      THR  40   5.098  -8.834  -7.893
  304   HG21  THR  40          HG21      THR  40   5.044  -5.200  -6.246
  305   HG22  THR  40          HG22      THR  40   3.567  -6.168  -6.312
  306   HG23  THR  40          HG23      THR  40   4.390  -5.709  -7.806
  307    H    GLU  41           HN       GLU  41   8.679  -7.685  -8.850
  308    HA   GLU  41           HA       GLU  41   8.913 -10.400  -8.249
  309    HB2  GLU  41           HB2      GLU  41  11.190 -10.145  -9.356
  310    HB3  GLU  41           HB1      GLU  41   9.782  -9.686 -10.299
  311    HG2  GLU  41           HG2      GLU  41  11.146  -7.553  -8.766
  312    HG3  GLU  41           HG1      GLU  41  11.961  -8.195 -10.192
  313    H    SER  42           HN       SER  42  10.564  -7.628  -6.795
  314    HA   SER  42           HA       SER  42  11.965  -9.541  -5.061
  315    HB2  SER  42           HB2      SER  42  13.499  -8.307  -6.542
  316    HB3  SER  42           HB1      SER  42  12.891  -6.782  -5.898
  317    HG   SER  42           HG       SER  42  13.625  -7.571  -3.803
  318    H    LEU  43           HN       LEU  43   9.337  -8.504  -4.590
  319    HA   LEU  43           HA       LEU  43   9.833  -6.838  -2.230
  320    HB2  LEU  43           HB2      LEU  43   7.378  -7.333  -3.869
  321    HB3  LEU  43           HB1      LEU  43   7.361  -6.453  -2.350
  322    HG   LEU  43           HG       LEU  43   9.022  -5.645  -4.726
  323   HD11  LEU  43          HD11      LEU  43   7.333  -3.928  -5.079
  324   HD12  LEU  43          HD12      LEU  43   6.343  -4.655  -3.809
  325   HD13  LEU  43          HD13      LEU  43   6.685  -5.555  -5.286
  326   HD21  LEU  43          HD21      LEU  43   9.115  -3.508  -3.506
  327   HD22  LEU  43          HD22      LEU  43   9.863  -4.835  -2.618
  328   HD23  LEU  43          HD23      LEU  43   8.257  -4.264  -2.165
  329    H    ASP  44           HN       ASP  44   8.410  -7.182  -0.410
  330    HA   ASP  44           HA       ASP  44   7.380  -9.897  -0.074
  331    HB2  ASP  44           HB2      ASP  44   9.805  -9.419   0.976
  332    HB3  ASP  44           HB1      ASP  44   8.827  -8.673   2.230
  333    H    THR  45           HN       THR  45   5.697  -9.983   1.485
  334    HA   THR  45           HA       THR  45   4.634  -7.335   2.167
  335    HB   THR  45           HB       THR  45   2.496  -8.631   2.616
  336    HG1  THR  45           HG1      THR  45   3.695 -10.630   0.980
  337   HG21  THR  45          HG21      THR  45   2.728  -7.272   0.654
  338   HG22  THR  45          HG22      THR  45   1.928  -8.781   0.215
  339   HG23  THR  45          HG23      THR  45   3.634  -8.540  -0.169
  340    H    HIS  46           HN       HIS  46   6.265  -9.940   3.465
  341    HA   HIS  46           HA       HIS  46   5.127  -9.571   6.150
  342    HB2  HIS  46           HB2      HIS  46   7.144 -11.627   5.221
  343    HB3  HIS  46           HB1      HIS  46   6.324 -11.594   6.771
  344    HD1  HIS  46           HD1      HIS  46   4.527 -13.276   6.895
  345    HD2  HIS  46           HD2      HIS  46   5.012 -11.793   3.047
  346    HE1  HIS  46           HE1      HIS  46   2.879 -14.535   5.475
  347    HE2  HIS  46           HE2      HIS  46   3.370 -13.793   3.117
  348    H    GLU  47           HN       GLU  47   7.466  -8.306   4.238
  349    HA   GLU  47           HA       GLU  47   9.286  -7.828   6.489
  350    HB2  GLU  47           HB2      GLU  47  11.067  -8.330   5.223
  351    HB3  GLU  47           HB1      GLU  47   9.918  -9.113   4.155
  352    HG2  GLU  47           HG2      GLU  47   9.762  -6.961   2.885
  353    HG3  GLU  47           HG1      GLU  47  11.084  -6.357   3.888
  354    H    SER  48           HN       SER  48  10.218  -5.722   6.572
  355    HA   SER  48           HA       SER  48   8.105  -3.827   6.032
  356    HB2  SER  48           HB2      SER  48  10.691  -3.196   7.435
  357    HB3  SER  48           HB1      SER  48   9.091  -2.500   7.683
  358    HG   SER  48           HG       SER  48  10.153  -4.911   8.615
  359    H    PHE  49           HN       PHE  49   8.317  -1.917   4.924
  360    HA   PHE  49           HA       PHE  49   9.653  -1.881   2.510
  361    HB2  PHE  49           HB2      PHE  49   8.727   0.486   4.126
  362    HB3  PHE  49           HB1      PHE  49   9.178   0.542   2.427
  363    HD1  PHE  49           HD1      PHE  49   7.744  -0.276   0.742
  364    HD2  PHE  49           HD2      PHE  49   6.695  -0.660   4.839
  365    HE1  PHE  49           HE1      PHE  49   5.461  -0.890   0.098
  366    HE2  PHE  49           HE2      PHE  49   4.401  -1.275   4.201
  367    HZ   PHE  49           HZ       PHE  49   3.745  -1.279   1.883
  368    H    LYS  50           HN       LYS  50  10.743  -0.715   5.587
  369    HA   LYS  50           HA       LYS  50  13.086   0.542   5.104
  370    HB2  LYS  50           HB2      LYS  50  12.172  -0.297   7.315
  371    HB3  LYS  50           HB1      LYS  50  12.927  -1.835   6.937
  372    HG2  LYS  50           HG2      LYS  50  14.646   0.493   6.676
  373    HG3  LYS  50           HG1      LYS  50  14.100   0.125   8.311
  374    HD2  LYS  50           HD2      LYS  50  14.966  -2.147   8.070
  375    HD3  LYS  50           HD1      LYS  50  15.507  -1.756   6.428
  376    HE2  LYS  50           HE2      LYS  50  16.286  -0.123   8.778
  377    HE3  LYS  50           HE1      LYS  50  17.219  -1.556   8.332
  378    HZ1  LYS  50           HZ1      LYS  50  18.141   0.493   7.394
  379    HZ2  LYS  50           HZ2      LYS  50  16.692   0.787   6.576
  380    HZ3  LYS  50           HZ3      LYS  50  17.633  -0.561   6.174
  381    H    ASP  51           HN       ASP  51  12.658  -2.939   5.126
  382    HA   ASP  51           HA       ASP  51  15.268  -3.527   4.218
  383    HB2  ASP  51           HB2      ASP  51  13.632  -5.016   5.519
  384    HB3  ASP  51           HB1      ASP  51  12.900  -5.361   3.960
  385    H    LEU  52           HN       LEU  52  12.304  -2.771   2.651
  386    HA   LEU  52           HA       LEU  52  12.900  -3.836   0.076
  387    HB2  LEU  52           HB2      LEU  52  10.874  -1.924   1.166
  388    HB3  LEU  52           HB1      LEU  52  11.030  -2.139  -0.551
  389    HG   LEU  52           HG       LEU  52  10.472  -4.527  -0.316
  390   HD11  LEU  52          HD11      LEU  52  11.311  -4.970   1.880
  391   HD12  LEU  52          HD12      LEU  52   9.577  -5.304   1.847
  392   HD13  LEU  52          HD13      LEU  52  10.176  -3.819   2.583
  393   HD21  LEU  52          HD21      LEU  52   8.135  -4.261   0.407
  394   HD22  LEU  52          HD22      LEU  52   8.651  -3.014  -0.735
  395   HD23  LEU  52          HD23      LEU  52   8.527  -2.641   0.984
  396    H    GLY  53           HN       GLY  53  13.794  -1.064   1.831
  397    HA2  GLY  53           HA2      GLY  53  15.769   0.065   1.096
  398    HA3  GLY  53           HA1      GLY  53  15.198  -0.082  -0.553
  399    H    PHE  54           HN       PHE  54  12.652   0.772   1.525
  400    HA   PHE  54           HA       PHE  54  12.547   3.349   0.330
  401    HB2  PHE  54           HB2      PHE  54  10.799   2.032   2.413
  402    HB3  PHE  54           HB1      PHE  54  10.507   3.640   1.761
  403    HD1  PHE  54           HD1      PHE  54   9.701   3.966  -0.437
  404    HD2  PHE  54           HD2      PHE  54  10.620   0.066   0.970
  405    HE1  PHE  54           HE1      PHE  54   8.570   3.013  -2.384
  406    HE2  PHE  54           HE2      PHE  54   9.491  -0.913  -0.972
  407    HZ   PHE  54           HZ       PHE  54   8.477   0.557  -2.683
  408    H    ASP  55           HN       ASP  55  12.260   5.335   1.478
  409    HA   ASP  55           HA       ASP  55  13.524   5.741   4.026
  410    HB2  ASP  55           HB2      ASP  55  15.415   5.411   2.258
  411    HB3  ASP  55           HB1      ASP  55  14.904   6.979   1.638
  412    H    SER  56           HN       SER  56  14.097   8.483   3.697
  413    HA   SER  56           HA       SER  56  11.432   9.559   3.436
  414    HB2  SER  56           HB2      SER  56  14.062  10.969   3.964
  415    HB3  SER  56           HB1      SER  56  12.456  11.669   4.162
  416    HG   SER  56           HG       SER  56  13.859  10.223   5.906
  417    H    LEU  57           HN       LEU  57  12.277   8.457   1.096
  418    HA   LEU  57           HA       LEU  57  12.222  10.678  -0.781
  419    HB2  LEU  57           HB2      LEU  57  13.993   8.271  -1.044
  420    HB3  LEU  57           HB1      LEU  57  13.906   9.617  -2.162
  421    HG   LEU  57           HG       LEU  57  14.854   9.840   0.686
  422   HD11  LEU  57          HD11      LEU  57  17.117   9.920  -0.262
  423   HD12  LEU  57          HD12      LEU  57  16.455   9.548  -1.853
  424   HD13  LEU  57          HD13      LEU  57  16.332   8.368  -0.548
  425   HD21  LEU  57          HD21      LEU  57  15.105  11.715  -1.664
  426   HD22  LEU  57          HD22      LEU  57  15.760  11.982  -0.050
  427   HD23  LEU  57          HD23      LEU  57  14.015  11.913  -0.293
  428    H    THR  58           HN       THR  58  12.613   7.171  -0.876
  429    HA   THR  58           HA       THR  58  10.847   6.804  -3.055
  430    HB   THR  58           HB       THR  58  11.103   4.325  -2.244
  431    HG1  THR  58           HG1      THR  58  13.451   4.745  -1.094
  432   HG21  THR  58          HG21      THR  58  12.209   5.237  -4.209
  433   HG22  THR  58          HG22      THR  58  13.321   4.212  -3.300
  434   HG23  THR  58          HG23      THR  58  13.449   5.967  -3.193
  435    H    ALA  59           HN       ALA  59  10.553   6.307   0.427
  436    HA   ALA  59           HA       ALA  59   8.052   5.122   0.515
  437    HB1  ALA  59           HB1      ALA  59   9.131   7.186   2.448
  438    HB2  ALA  59           HB2      ALA  59   9.547   5.475   2.478
  439    HB3  ALA  59           HB3      ALA  59   7.884   5.982   2.779
  440    H    LEU  60           HN       LEU  60   9.038   8.402   0.009
  441    HA   LEU  60           HA       LEU  60   6.533   9.629   0.422
  442    HB2  LEU  60           HB2      LEU  60   9.040  10.492  -0.995
  443    HB3  LEU  60           HB1      LEU  60   7.633  11.531  -0.860
  444    HG   LEU  60           HG       LEU  60   9.338  12.074   0.837
  445   HD11  LEU  60          HD11      LEU  60   6.856  10.863   2.017
  446   HD12  LEU  60          HD12      LEU  60   6.980  12.480   1.322
  447   HD13  LEU  60          HD13      LEU  60   7.893  12.067   2.774
  448   HD21  LEU  60          HD21      LEU  60   9.743  10.545   2.695
  449   HD22  LEU  60          HD22      LEU  60  10.300   9.865   1.166
  450   HD23  LEU  60          HD23      LEU  60   8.787   9.306   1.882
  451    H    GLU  61           HN       GLU  61   8.252   8.631  -2.546
  452    HA   GLU  61           HA       GLU  61   6.059   9.387  -4.222
  453    HB2  GLU  61           HB2      GLU  61   7.256   7.856  -5.912
  454    HB3  GLU  61           HB1      GLU  61   8.093   9.313  -5.376
  455    HG2  GLU  61           HG2      GLU  61   9.415   8.005  -3.833
  456    HG3  GLU  61           HG1      GLU  61   8.539   6.549  -4.290
  457    H    LEU  62           HN       LEU  62   6.983   6.435  -2.560
  458    HA   LEU  62           HA       LEU  62   5.024   4.745  -3.726
  459    HB2  LEU  62           HB2      LEU  62   6.778   3.795  -2.379
  460    HB3  LEU  62           HB1      LEU  62   6.265   4.725  -0.989
  461    HG   LEU  62           HG       LEU  62   4.160   3.491  -0.911
  462   HD11  LEU  62          HD11      LEU  62   3.885   3.012  -3.246
  463   HD12  LEU  62          HD12      LEU  62   3.874   1.508  -2.321
  464   HD13  LEU  62          HD13      LEU  62   5.309   1.973  -3.232
  465   HD21  LEU  62          HD21      LEU  62   6.503   1.630  -1.066
  466   HD22  LEU  62          HD22      LEU  62   5.043   1.450  -0.089
  467   HD23  LEU  62          HD23      LEU  62   6.199   2.735   0.271
  468    H    ARG  63           HN       ARG  63   5.047   6.742  -0.830
  469    HA   ARG  63           HA       ARG  63   2.471   6.270   0.110
  470    HB2  ARG  63           HB2      ARG  63   3.928   7.498   1.496
  471    HB3  ARG  63           HB1      ARG  63   4.394   8.586   0.198
  472    HG2  ARG  63           HG2      ARG  63   1.853   9.274   0.308
  473    HG3  ARG  63           HG1      ARG  63   2.008   8.661   1.959
  474    HD2  ARG  63           HD2      ARG  63   2.453  11.070   1.825
  475    HD3  ARG  63           HD1      ARG  63   3.862  10.165   2.371
  476    HE   ARG  63           HE       ARG  63   4.484  10.333  -0.152
  477   HH11  ARG  63          HH11      ARG  63   2.955  12.790   1.809
  478   HH12  ARG  63          HH12      ARG  63   3.587  14.110   0.878
  479   HH21  ARG  63          HH21      ARG  63   5.323  12.081  -1.394
  480   HH22  ARG  63          HH22      ARG  63   4.932  13.708  -0.937
  481    H    ASP  64           HN       ASP  64   3.802   8.596  -2.153
  482    HA   ASP  64           HA       ASP  64   1.515   9.921  -2.949
  483    HB2  ASP  64           HB2      ASP  64   3.927  10.455  -3.484
  484    HB3  ASP  64           HB1      ASP  64   3.820   9.228  -4.738
  485    H    HIS  65           HN       HIS  65   2.972   6.936  -4.131
  486    HA   HIS  65           HA       HIS  65   1.244   6.437  -6.272
  487    HB2  HIS  65           HB2      HIS  65   2.800   4.578  -4.508
  488    HB3  HIS  65           HB1      HIS  65   1.914   4.045  -5.920
  489    HD1  HIS  65           HD1      HIS  65   2.917   6.738  -7.568
  490    HD2  HIS  65           HD2      HIS  65   5.165   3.837  -5.659
  491    HE1  HIS  65           HE1      HIS  65   5.214   6.832  -8.619
  492    HE2  HIS  65           HE2      HIS  65   6.489   4.959  -7.569
  493    H    LEU  66           HN       LEU  66   1.020   5.493  -2.838
  494    HA   LEU  66           HA       LEU  66  -1.209   3.787  -3.191
  495    HB2  LEU  66           HB2      LEU  66  -0.005   5.205  -0.864
  496    HB3  LEU  66           HB1      LEU  66  -1.529   4.371  -0.676
  497    HG   LEU  66           HG       LEU  66  -0.580   2.275  -0.865
  498   HD11  LEU  66          HD11      LEU  66   1.566   1.779  -1.892
  499   HD12  LEU  66          HD12      LEU  66   1.813   3.492  -2.230
  500   HD13  LEU  66          HD13      LEU  66   0.508   2.615  -3.025
  501   HD21  LEU  66          HD21      LEU  66   1.562   4.053   0.260
  502   HD22  LEU  66          HD22      LEU  66   1.527   2.297   0.436
  503   HD23  LEU  66          HD23      LEU  66   0.242   3.280   1.137
  504    H    GLN  67           HN       GLN  67  -0.936   7.199  -2.437
  505    HA   GLN  67           HA       GLN  67  -3.727   7.610  -1.957
  506    HB2  GLN  67           HB2      GLN  67  -1.832   9.746  -2.871
  507    HB3  GLN  67           HB1      GLN  67  -3.219   9.899  -1.802
  508    HG2  GLN  67           HG2      GLN  67  -2.104   9.006  -0.003
  509    HG3  GLN  67           HG1      GLN  67  -0.944   8.179  -1.041
  510   HE21  GLN  67          HE21      GLN  67  -0.321  10.417  -2.677
  511   HE22  GLN  67          HE22      GLN  67   0.626  11.498  -1.731
  512    H    THR  68           HN       THR  68  -1.605   7.838  -4.748
  513    HA   THR  68           HA       THR  68  -3.500   8.841  -6.556
  514    HB   THR  68           HB       THR  68  -0.861   7.508  -6.601
  515    HG1  THR  68           HG1      THR  68  -1.747   9.944  -6.836
  516   HG21  THR  68          HG21      THR  68  -2.559   7.732  -9.091
  517   HG22  THR  68          HG22      THR  68  -1.994   6.243  -8.333
  518   HG23  THR  68          HG23      THR  68  -0.836   7.355  -9.060
  519    H    ALA  69           HN       ALA  69  -2.329   5.660  -5.787
  520    HA   ALA  69           HA       ALA  69  -3.911   4.095  -7.398
  521    HB1  ALA  69           HB1      ALA  69  -2.003   3.261  -6.197
  522    HB2  ALA  69           HB2      ALA  69  -3.431   2.304  -5.790
  523    HB3  ALA  69           HB3      ALA  69  -2.828   3.523  -4.662
  524    H    THR  70           HN       THR  70  -4.560   5.115  -4.045
  525    HA   THR  70           HA       THR  70  -7.132   3.729  -4.153
  526    HB   THR  70           HB       THR  70  -7.245   4.107  -1.752
  527    HG1  THR  70           HG1      THR  70  -4.716   5.382  -1.827
  528   HG21  THR  70          HG21      THR  70  -4.441   3.322  -2.535
  529   HG22  THR  70          HG22      THR  70  -5.844   2.248  -2.601
  530   HG23  THR  70          HG23      THR  70  -5.283   2.877  -1.051
  531    H    GLY  71           HN       GLY  71  -5.820   6.953  -3.874
  532    HA2  GLY  71           HA2      GLY  71  -6.959   8.942  -4.422
  533    HA3  GLY  71           HA1      GLY  71  -8.489   8.085  -4.259
  534    H    LEU  72           HN       LEU  72  -6.613   7.215  -1.732
  535    HA   LEU  72           HA       LEU  72  -8.261   8.840   0.051
  536    HB2  LEU  72           HB2      LEU  72  -6.777   6.247   0.308
  537    HB3  LEU  72           HB1      LEU  72  -7.301   7.111   1.737
  538    HG   LEU  72           HG       LEU  72  -8.838   5.286   1.083
  539   HD11  LEU  72          HD11      LEU  72 -10.039   8.037   0.877
  540   HD12  LEU  72          HD12      LEU  72  -9.688   7.154   2.365
  541   HD13  LEU  72          HD13      LEU  72 -10.908   6.546   1.249
  542   HD21  LEU  72          HD21      LEU  72  -9.415   6.965  -1.347
  543   HD22  LEU  72          HD22      LEU  72 -10.275   5.505  -0.857
  544   HD23  LEU  72          HD23      LEU  72  -8.583   5.412  -1.341
  545    H    ASN  73           HN       ASN  73  -6.750   8.681   2.371
  546    HA   ASN  73           HA       ASN  73  -4.700  10.680   1.684
  547    HB2  ASN  73           HB2      ASN  73  -6.701  11.644   2.732
  548    HB3  ASN  73           HB1      ASN  73  -6.504  10.564   4.105
  549   HD21  ASN  73          HD21      ASN  73  -3.874  12.214   2.445
  550   HD22  ASN  73          HD22      ASN  73  -3.435  13.223   3.775
  551    H    LEU  74           HN       LEU  74  -2.877   9.424   1.790
  552    HA   LEU  74           HA       LEU  74  -2.382   8.053   4.315
  553    HB2  LEU  74           HB2      LEU  74  -0.947   7.873   1.672
  554    HB3  LEU  74           HB1      LEU  74  -0.512   6.978   3.120
  555    HG   LEU  74           HG       LEU  74  -3.024   6.170   2.963
  556   HD11  LEU  74          HD11      LEU  74  -3.565   7.598   1.022
  557   HD12  LEU  74          HD12      LEU  74  -3.804   5.883   0.693
  558   HD13  LEU  74          HD13      LEU  74  -2.375   6.714   0.066
  559   HD21  LEU  74          HD21      LEU  74  -0.674   5.163   1.405
  560   HD22  LEU  74          HD22      LEU  74  -2.196   4.287   1.520
  561   HD23  LEU  74          HD23      LEU  74  -1.266   4.625   2.979
  562    H    SER  75           HN       SER  75   0.567   8.227   4.197
  563    HA   SER  75           HA       SER  75   0.862  11.068   4.758
  564    HB2  SER  75           HB2      SER  75  -0.242  10.002   6.763
  565    HB3  SER  75           HB1      SER  75   1.241   9.076   6.994
  566    HG   SER  75           HG       SER  75   0.695  11.654   7.634
  567    H    SER  76           HN       SER  76   3.112  11.437   5.886
  568    HA   SER  76           HA       SER  76   4.978  10.822   3.907
  569    HB2  SER  76           HB2      SER  76   5.525  11.788   6.717
  570    HB3  SER  76           HB1      SER  76   6.612  11.933   5.335
  571    HG   SER  76           HG       SER  76   4.362  13.398   5.993
  572    H    THR  77           HN       THR  77   4.755   9.475   7.211
  573    HA   THR  77           HA       THR  77   6.882   7.578   6.490
  574    HB   THR  77           HB       THR  77   7.017   7.126   8.954
  575    HG1  THR  77           HG1      THR  77   5.166   7.825   9.861
  576   HG21  THR  77          HG21      THR  77   8.580   8.638   7.862
  577   HG22  THR  77          HG22      THR  77   8.194   9.220   9.482
  578   HG23  THR  77          HG23      THR  77   7.453   9.977   8.071
  579    H    LEU  78           HN       LEU  78   4.241   7.465   5.600
  580    HA   LEU  78           HA       LEU  78   2.364   5.907   6.771
  581    HB2  LEU  78           HB2      LEU  78   2.279   7.045   4.591
  582    HB3  LEU  78           HB1      LEU  78   3.354   5.844   3.940
  583    HG   LEU  78           HG       LEU  78   0.777   5.797   3.489
  584   HD11  LEU  78          HD11      LEU  78   2.549   3.436   3.959
  585   HD12  LEU  78          HD12      LEU  78   2.210   4.279   2.437
  586   HD13  LEU  78          HD13      LEU  78   0.949   3.322   3.225
  587   HD21  LEU  78          HD21      LEU  78  -0.253   4.076   5.013
  588   HD22  LEU  78          HD22      LEU  78  -0.072   5.706   5.659
  589   HD23  LEU  78          HD23      LEU  78   1.058   4.437   6.138
  590    H    ILE  79           HN       ILE  79   4.932   4.629   4.684
  591    HA   ILE  79           HA       ILE  79   4.372   1.911   5.418
  592    HB   ILE  79           HB       ILE  79   6.189   1.340   3.933
  593   HG12  ILE  79          HG12      ILE  79   6.774   4.286   4.013
  594   HG13  ILE  79          HG11      ILE  79   7.860   2.955   4.402
  595   HG21  ILE  79          HG21      ILE  79   4.072   1.872   2.900
  596   HG22  ILE  79          HG22      ILE  79   5.411   2.425   1.891
  597   HG23  ILE  79          HG23      ILE  79   4.500   3.587   2.861
  598   HD11  ILE  79          HD11      ILE  79   8.520   3.760   2.305
  599   HD12  ILE  79          HD12      ILE  79   6.854   3.836   1.731
  600   HD13  ILE  79          HD13      ILE  79   7.633   2.268   1.983
  601    H    PHE  80           HN       PHE  80   5.812   4.118   7.247
  602    HA   PHE  80           HA       PHE  80   7.686   2.146   8.378
  603    HB2  PHE  80           HB2      PHE  80   7.814   5.165   8.486
  604    HB3  PHE  80           HB1      PHE  80   8.907   4.086   9.345
  605    HD1  PHE  80           HD1      PHE  80   9.158   6.249   6.931
  606    HD2  PHE  80           HD2      PHE  80   9.391   2.016   7.304
  607    HE1  PHE  80           HE1      PHE  80  10.576   6.151   4.924
  608    HE2  PHE  80           HE2      PHE  80  10.807   1.904   5.297
  609    HZ   PHE  80           HZ       PHE  80  11.407   3.981   4.106
  610    H    ASP  81           HN       ASP  81   4.941   4.009   8.687
  611    HA   ASP  81           HA       ASP  81   4.629   3.665  11.535
  612    HB2  ASP  81           HB2      ASP  81   3.241   5.039   9.330
  613    HB3  ASP  81           HB1      ASP  81   2.168   4.333  10.528
  614    H    HIS  82           HN       HIS  82   3.582   2.373   8.488
  615    HA   HIS  82           HA       HIS  82   2.598  -0.034   9.836
  616    HB2  HIS  82           HB2      HIS  82   1.798   0.953   7.087
  617    HB3  HIS  82           HB1      HIS  82   1.066  -0.349   8.010
  618    HD1  HIS  82           HD1      HIS  82  -0.465   0.321  10.024
  619    HD2  HIS  82           HD2      HIS  82   0.972   3.515   7.768
  620    HE1  HIS  82           HE1      HIS  82  -1.753   2.333  10.805
  621    HE2  HIS  82           HE2      HIS  82  -0.714   4.279   9.587
  622    HA   PRO  83           HA       PRO  83   6.625  -0.919   8.457
  623    HB2  PRO  83           HB2      PRO  83   6.668  -3.588   9.113
  624    HB3  PRO  83           HB1      PRO  83   6.882  -2.271  10.271
  625    HG2  PRO  83           HG2      PRO  83   4.410  -3.840   9.622
  626    HG3  PRO  83           HG1      PRO  83   5.035  -3.335  11.206
  627    HD2  PRO  83           HD2      PRO  83   3.034  -2.009  10.015
  628    HD3  PRO  83           HD1      PRO  83   4.273  -1.157  10.943
  629    H    THR  84           HN       THR  84   4.072  -3.145   7.371
  630    HA   THR  84           HA       THR  84   5.779  -3.780   5.077
  631    HB   THR  84           HB       THR  84   4.715  -5.987   5.038
  632    HG1  THR  84           HG1      THR  84   3.645  -6.269   7.369
  633   HG21  THR  84          HG21      THR  84   5.862  -5.356   7.761
  634   HG22  THR  84          HG22      THR  84   6.819  -5.642   6.308
  635   HG23  THR  84          HG23      THR  84   5.820  -6.936   6.976
  636    HA   PRO  85           HA       PRO  85   2.480  -2.628   2.329
  637    HB2  PRO  85           HB2      PRO  85   2.824  -5.267   1.032
  638    HB3  PRO  85           HB1      PRO  85   2.944  -3.657   0.325
  639    HG2  PRO  85           HG2      PRO  85   5.111  -5.178   0.768
  640    HG3  PRO  85           HG1      PRO  85   5.150  -3.412   0.916
  641    HD2  PRO  85           HD2      PRO  85   5.100  -5.486   3.044
  642    HD3  PRO  85           HD1      PRO  85   5.886  -3.901   3.032
  643    H    HIS  86           HN       HIS  86   2.640  -5.477   4.119
  644    HA   HIS  86           HA       HIS  86  -0.067  -6.362   3.766
  645    HB2  HIS  86           HB2      HIS  86   1.255  -8.083   4.512
  646    HB3  HIS  86           HB1      HIS  86   2.273  -7.035   5.460
  647    HD1  HIS  86           HD1      HIS  86  -0.234  -9.586   5.811
  648    HD2  HIS  86           HD2      HIS  86   0.925  -6.239   7.996
  649    HE1  HIS  86           HE1      HIS  86  -1.088  -9.973   8.144
  650    HE2  HIS  86           HE2      HIS  86  -0.462  -7.897   9.424
  651    H    ALA  87           HN       ALA  87   1.742  -4.510   6.140
  652    HA   ALA  87           HA       ALA  87  -0.496  -4.006   7.853
  653    HB1  ALA  87           HB1      ALA  87   1.028  -2.559   9.076
  654    HB2  ALA  87           HB2      ALA  87   2.181  -2.622   7.743
  655    HB3  ALA  87           HB3      ALA  87   1.833  -4.078   8.680
  656    H    VAL  88           HN       VAL  88   0.822  -2.638   5.074
  657    HA   VAL  88           HA       VAL  88  -0.344  -0.015   5.471
  658    HB   VAL  88           HB       VAL  88   1.170  -1.269   3.203
  659   HG11  VAL  88          HG11      VAL  88   1.235   0.988   2.204
  660   HG12  VAL  88          HG12      VAL  88   0.067   1.514   3.418
  661   HG13  VAL  88          HG13      VAL  88  -0.377   0.274   2.245
  662   HG21  VAL  88          HG21      VAL  88   2.919   0.347   3.819
  663   HG22  VAL  88          HG22      VAL  88   2.543  -0.779   5.124
  664   HG23  VAL  88          HG23      VAL  88   1.926   0.876   5.177
  665    H    ALA  89           HN       ALA  89  -0.802  -2.831   3.389
  666    HA   ALA  89           HA       ALA  89  -2.923  -1.774   1.899
  667    HB1  ALA  89           HB1      ALA  89  -1.753  -3.788   1.227
  668    HB2  ALA  89           HB2      ALA  89  -3.487  -4.079   1.345
  669    HB3  ALA  89           HB3      ALA  89  -2.403  -4.654   2.619
  670    H    GLU  90           HN       GLU  90  -2.900  -3.534   5.022
  671    HA   GLU  90           HA       GLU  90  -5.760  -3.564   5.193
  672    HB2  GLU  90           HB2      GLU  90  -5.301  -4.064   7.626
  673    HB3  GLU  90           HB1      GLU  90  -4.577  -5.182   6.475
  674    HG2  GLU  90           HG2      GLU  90  -2.455  -3.970   6.678
  675    HG3  GLU  90           HG1      GLU  90  -3.179  -2.935   7.902
  676    H    HIS  91           HN       HIS  91  -3.235  -1.362   5.996
  677    HA   HIS  91           HA       HIS  91  -4.721   0.456   7.528
  678    HB2  HIS  91           HB2      HIS  91  -2.375   0.657   7.649
  679    HB3  HIS  91           HB1      HIS  91  -2.204   0.706   5.893
  680    HD1  HIS  91           HD1      HIS  91  -3.543   2.845   8.740
  681    HD2  HIS  91           HD2      HIS  91  -2.185   3.174   4.829
  682    HE1  HIS  91           HE1      HIS  91  -3.414   5.314   8.281
  683    HE2  HIS  91           HE2      HIS  91  -2.732   5.496   5.868
  684    H    LEU  92           HN       LEU  92  -4.534  -0.182   4.144
  685    HA   LEU  92           HA       LEU  92  -5.666   2.300   3.322
  686    HB2  LEU  92           HB2      LEU  92  -4.901  -0.251   2.014
  687    HB3  LEU  92           HB1      LEU  92  -6.122   0.729   1.208
  688    HG   LEU  92           HG       LEU  92  -4.651   2.489   0.822
  689   HD11  LEU  92          HD11      LEU  92  -3.018   1.355   3.069
  690   HD12  LEU  92          HD12      LEU  92  -3.727   2.969   2.923
  691   HD13  LEU  92          HD13      LEU  92  -2.345   2.512   1.925
  692   HD21  LEU  92          HD21      LEU  92  -4.064   0.549  -0.522
  693   HD22  LEU  92          HD22      LEU  92  -2.930   0.027   0.723
  694   HD23  LEU  92          HD23      LEU  92  -2.645   1.529  -0.156
  695    H    LEU  93           HN       LEU  93  -6.880  -0.504   4.708
  696    HA   LEU  93           HA       LEU  93  -9.567  -0.359   3.700
  697    HB2  LEU  93           HB2      LEU  93  -8.336  -1.752   6.046
  698    HB3  LEU  93           HB1      LEU  93 -10.065  -1.755   5.779
  699    HG   LEU  93           HG       LEU  93  -9.894  -3.123   3.889
  700   HD11  LEU  93          HD11      LEU  93  -6.941  -2.499   3.866
  701   HD12  LEU  93          HD12      LEU  93  -8.147  -1.973   2.686
  702   HD13  LEU  93          HD13      LEU  93  -7.736  -3.685   2.820
  703   HD21  LEU  93          HD21      LEU  93  -8.698  -5.032   4.676
  704   HD22  LEU  93          HD22      LEU  93  -9.386  -4.196   6.069
  705   HD23  LEU  93          HD23      LEU  93  -7.667  -4.024   5.696
  706    H    GLU  94           HN       GLU  94  -7.731   0.871   6.321
  707    HA   GLU  94           HA       GLU  94  -9.717   1.848   8.021
  708    HB2  GLU  94           HB2      GLU  94  -6.903   2.639   7.382
  709    HB3  GLU  94           HB1      GLU  94  -7.841   3.562   8.561
  710    HG2  GLU  94           HG2      GLU  94  -7.153   0.632   8.702
  711    HG3  GLU  94           HG1      GLU  94  -6.433   1.924   9.661
  712    H    GLN  95           HN       GLN  95  -8.474   2.988   5.004
  713    HA   GLN  95           HA       GLN  95  -9.508   5.659   5.229
  714    HB2  GLN  95           HB2      GLN  95  -8.579   4.308   2.716
  715    HB3  GLN  95           HB1      GLN  95  -8.415   5.994   3.181
  716    HG2  GLN  95           HG2      GLN  95  -6.986   3.753   4.568
  717    HG3  GLN  95           HG1      GLN  95  -6.308   4.646   3.218
  718   HE21  GLN  95          HE21      GLN  95  -5.484   4.362   5.995
  719   HE22  GLN  95          HE22      GLN  95  -5.339   5.968   6.614
  720    H    ILE  96           HN       ILE  96 -10.593   2.595   4.182
  721    HA   ILE  96           HA       ILE  96 -12.209   3.342   1.990
  722    HB   ILE  96           HB       ILE  96 -12.168   0.849   3.669
  723   HG12  ILE  96          HG12      ILE  96 -10.032   1.569   2.661
  724   HG13  ILE  96          HG11      ILE  96 -10.596   0.026   2.061
  725   HG21  ILE  96          HG21      ILE  96 -13.116   1.089   0.840
  726   HG22  ILE  96          HG22      ILE  96 -14.197   1.105   2.232
  727   HG23  ILE  96          HG23      ILE  96 -13.208  -0.317   1.900
  728   HD11  ILE  96          HD11      ILE  96 -11.257   0.988  -0.007
  729   HD12  ILE  96          HD12      ILE  96  -9.632   1.587   0.350
  730   HD13  ILE  96          HD13      ILE  96 -11.039   2.623   0.618
  731    HA   PRO  97           HA       PRO  97 -15.791   4.834   3.951
  732    HB2  PRO  97           HB2      PRO  97 -17.483   4.766   1.899
  733    HB3  PRO  97           HB1      PRO  97 -16.039   5.788   1.862
  734    HG2  PRO  97           HG2      PRO  97 -16.423   3.054   0.696
  735    HG3  PRO  97           HG1      PRO  97 -15.787   4.503  -0.091
  736    HD2  PRO  97           HD2      PRO  97 -14.177   2.614   0.929
  737    HD3  PRO  97           HD1      PRO  97 -13.752   4.323   0.956
  738    H    GLY  98           HN       GLY  98 -15.974   2.844   5.396
  739    HA2  GLY  98           HA2      GLY  98 -17.692   1.730   6.505
  740    HA3  GLY  98           HA1      GLY  98 -18.712   1.955   5.096
  741    H    ILE  99           HN       ILE  99 -17.449   0.717   3.120
  742    HA   ILE  99           HA       ILE  99 -17.985  -2.000   3.499
  743    HB   ILE  99           HB       ILE  99 -16.386  -2.123   1.355
  744   HG12  ILE  99          HG12      ILE  99 -17.408   0.650   1.008
  745   HG13  ILE  99          HG11      ILE  99 -15.959   0.434   1.976
  746   HG21  ILE  99          HG21      ILE  99 -18.357  -1.662  -0.012
  747   HG22  ILE  99          HG22      ILE  99 -19.149  -0.920   1.378
  748   HG23  ILE  99          HG23      ILE  99 -18.763  -2.641   1.397
  749   HD11  ILE  99          HD11      ILE  99 -14.944  -0.774   0.064
  750   HD12  ILE  99          HD12      ILE  99 -15.299   0.931  -0.233
  751   HD13  ILE  99          HD13      ILE  99 -16.358  -0.323  -0.900
  752    H    GLY 100           HN       GLY 100 -15.018  -0.201   3.918
  753    HA2  GLY 100           HA2      GLY 100 -13.567  -2.730   4.312
  754    HA3  GLY 100           HA1      GLY 100 -12.827  -1.237   3.746
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -5.734  13.872  -4.104
    2    H2   GLY   1           HT2      GLY   1  -5.900  12.313  -4.730
    3    H3   GLY   1           HT3      GLY   1  -4.811  12.606  -3.468
    4    HA2  GLY   1           HA1      GLY   1  -6.786  11.536  -2.620
    5    HA3  GLY   1           HA2      GLY   1  -6.629  13.170  -1.987
    6    H    SER   2           HN       SER   2  -8.963  12.892  -1.586
    7    HA   SER   2           HA       SER   2 -11.152  13.251  -2.037
    8    HB2  SER   2           HB2      SER   2 -10.033  14.822  -4.371
    9    HB3  SER   2           HB1      SER   2 -11.669  14.962  -3.726
   10    HG   SER   2           HG       SER   2 -10.172  15.276  -1.652
   11    H    THR   3           HN       THR   3 -10.272  10.828  -2.854
   12    HA   THR   3           HA       THR   3 -12.114  10.208  -5.001
   13    HB   THR   3           HB       THR   3  -9.183   9.458  -5.200
   14    HG1  THR   3           HG1      THR   3 -10.554  11.614  -6.092
   15   HG21  THR   3          HG21      THR   3 -11.443   8.908  -7.124
   16   HG22  THR   3          HG22      THR   3 -10.717   7.716  -6.046
   17   HG23  THR   3          HG23      THR   3  -9.753   8.446  -7.328
   18    H    ALA   4           HN       ALA   4 -12.913   8.107  -4.793
   19    HA   ALA   4           HA       ALA   4 -11.541   6.264  -3.000
   20    HB1  ALA   4           HB1      ALA   4 -14.399   7.111  -2.486
   21    HB2  ALA   4           HB2      ALA   4 -13.005   7.583  -1.512
   22    HB3  ALA   4           HB3      ALA   4 -13.491   5.889  -1.593
   23    H    THR   5           HN       THR   5 -14.494   6.820  -4.912
   24    HA   THR   5           HA       THR   5 -15.328   4.236  -5.344
   25    HB   THR   5           HB       THR   5 -15.361   6.385  -7.461
   26    HG1  THR   5           HG1      THR   5 -17.524   6.731  -6.288
   27   HG21  THR   5          HG21      THR   5 -17.314   4.172  -6.803
   28   HG22  THR   5          HG22      THR   5 -16.190   4.174  -8.161
   29   HG23  THR   5          HG23      THR   5 -17.493   5.362  -8.092
   30    H    LEU   6           HN       LEU   6 -12.580   5.811  -6.689
   31    HA   LEU   6           HA       LEU   6 -11.956   4.149  -8.819
   32    HB2  LEU   6           HB2      LEU   6 -10.662   6.108  -8.451
   33    HB3  LEU   6           HB1      LEU   6 -10.247   5.611  -6.824
   34    HG   LEU   6           HG       LEU   6  -8.809   3.846  -7.698
   35   HD11  LEU   6          HD11      LEU   6  -8.332   3.718 -10.098
   36   HD12  LEU   6          HD12      LEU   6  -9.565   4.939 -10.413
   37   HD13  LEU   6          HD13      LEU   6 -10.027   3.366  -9.762
   38   HD21  LEU   6          HD21      LEU   6  -8.261   6.534  -8.962
   39   HD22  LEU   6          HD22      LEU   6  -7.071   5.286  -8.595
   40   HD23  LEU   6          HD23      LEU   6  -7.925   6.103  -7.286
   41    H    LEU   7           HN       LEU   7 -10.548   3.842  -5.554
   42    HA   LEU   7           HA       LEU   7  -9.886   1.092  -6.109
   43    HB2  LEU   7           HB2      LEU   7  -8.914   3.089  -4.393
   44    HB3  LEU   7           HB1      LEU   7  -9.577   1.841  -3.350
   45    HG   LEU   7           HG       LEU   7  -7.153   1.535  -3.855
   46   HD11  LEU   7          HD11      LEU   7  -8.653  -0.274  -3.132
   47   HD12  LEU   7          HD12      LEU   7  -7.364  -0.858  -4.187
   48   HD13  LEU   7          HD13      LEU   7  -9.003  -0.646  -4.820
   49   HD21  LEU   7          HD21      LEU   7  -6.428   0.857  -5.998
   50   HD22  LEU   7          HD22      LEU   7  -7.436   2.283  -6.277
   51   HD23  LEU   7          HD23      LEU   7  -8.079   0.669  -6.582
   52    H    THR   8           HN       THR   8 -12.248   2.863  -4.339
   53    HA   THR   8           HA       THR   8 -13.205   0.893  -2.601
   54    HB   THR   8           HB       THR   8 -14.473   3.297  -3.852
   55    HG1  THR   8           HG1      THR   8 -12.899   3.661  -2.264
   56   HG21  THR   8          HG21      THR   8 -16.325   3.067  -2.216
   57   HG22  THR   8          HG22      THR   8 -15.733   1.455  -1.825
   58   HG23  THR   8          HG23      THR   8 -16.326   1.804  -3.445
   59    H    SER   9           HN       SER   9 -13.816   1.437  -6.003
   60    HA   SER   9           HA       SER   9 -16.024  -0.305  -6.281
   61    HB2  SER   9           HB2      SER   9 -13.934   0.742  -8.175
   62    HB3  SER   9           HB1      SER   9 -15.160  -0.413  -8.718
   63    HG   SER   9           HG       SER   9 -15.355   2.264  -8.143
   64    H    LYS  10           HN       LYS  10 -12.601  -0.816  -5.970
   65    HA   LYS  10           HA       LYS  10 -12.622  -3.582  -6.688
   66    HB2  LYS  10           HB2      LYS  10 -10.597  -1.898  -6.438
   67    HB3  LYS  10           HB1      LYS  10 -10.650  -2.395  -4.754
   68    HG2  LYS  10           HG2      LYS  10  -9.580  -3.787  -7.083
   69    HG3  LYS  10           HG1      LYS  10  -9.217  -3.986  -5.375
   70    HD2  LYS  10           HD2      LYS  10 -10.141  -6.017  -5.796
   71    HD3  LYS  10           HD1      LYS  10 -11.602  -5.121  -5.386
   72    HE2  LYS  10           HE2      LYS  10 -12.192  -6.248  -7.316
   73    HE3  LYS  10           HE1      LYS  10 -11.751  -4.651  -7.911
   74    HZ1  LYS  10           HZ1      LYS  10 -10.005  -7.050  -7.954
   75    HZ2  LYS  10           HZ2      LYS  10  -9.570  -5.512  -8.504
   76    HZ3  LYS  10           HZ3      LYS  10 -10.795  -6.375  -9.287
   77    H    LEU  11           HN       LEU  11 -12.340  -1.922  -3.555
   78    HA   LEU  11           HA       LEU  11 -12.409  -4.252  -2.003
   79    HB2  LEU  11           HB2      LEU  11 -13.275  -1.495  -1.161
   80    HB3  LEU  11           HB1      LEU  11 -12.915  -2.821  -0.085
   81    HG   LEU  11           HG       LEU  11 -10.958  -1.653   0.044
   82   HD11  LEU  11          HD11      LEU  11 -10.499  -3.332  -2.409
   83   HD12  LEU  11          HD12      LEU  11 -10.511  -3.931  -0.748
   84   HD13  LEU  11          HD13      LEU  11  -9.269  -2.784  -1.264
   85   HD21  LEU  11          HD21      LEU  11 -10.964  -1.037  -2.898
   86   HD22  LEU  11          HD22      LEU  11 -10.010  -0.280  -1.616
   87   HD23  LEU  11          HD23      LEU  11 -11.750   0.003  -1.706
   88    H    ALA  12           HN       ALA  12 -14.966  -2.418  -3.400
   89    HA   ALA  12           HA       ALA  12 -17.155  -3.247  -1.896
   90    HB1  ALA  12           HB1      ALA  12 -17.303  -1.537  -3.614
   91    HB2  ALA  12           HB2      ALA  12 -18.457  -2.828  -3.955
   92    HB3  ALA  12           HB3      ALA  12 -16.945  -2.731  -4.863
   93    H    GLY  13           HN       GLY  13 -15.220  -4.951  -4.212
   94    HA2  GLY  13           HA2      GLY  13 -17.125  -7.129  -4.494
   95    HA3  GLY  13           HA1      GLY  13 -15.557  -6.988  -5.284
   96    H    LEU  14           HN       LEU  14 -14.707  -6.289  -2.290
   97    HA   LEU  14           HA       LEU  14 -14.007  -9.079  -1.739
   98    HB2  LEU  14           HB2      LEU  14 -12.702  -6.507  -0.981
   99    HB3  LEU  14           HB1      LEU  14 -12.222  -8.026  -0.317
  100    HG   LEU  14           HG       LEU  14 -10.696  -7.961  -1.936
  101   HD11  LEU  14          HD11      LEU  14 -11.347  -9.107  -3.957
  102   HD12  LEU  14          HD12      LEU  14 -13.044  -8.744  -3.637
  103   HD13  LEU  14          HD13      LEU  14 -12.155  -9.819  -2.555
  104   HD21  LEU  14          HD21      LEU  14 -10.970  -6.639  -4.000
  105   HD22  LEU  14          HD22      LEU  14 -11.149  -5.710  -2.510
  106   HD23  LEU  14          HD23      LEU  14 -12.575  -6.178  -3.436
  107    H    THR  15           HN       THR  15 -13.542  -9.551   0.480
  108    HA   THR  15           HA       THR  15 -15.265  -8.224   2.437
  109    HB   THR  15           HB       THR  15 -14.824 -10.154   3.840
  110    HG1  THR  15           HG1      THR  15 -13.398 -11.788   2.359
  111   HG21  THR  15          HG21      THR  15 -15.629 -11.986   2.398
  112   HG22  THR  15          HG22      THR  15 -15.250 -11.010   0.974
  113   HG23  THR  15          HG23      THR  15 -16.505 -10.484   2.099
  114    H    ALA  16           HN       ALA  16 -14.038  -7.836   4.610
  115    HA   ALA  16           HA       ALA  16 -12.057  -5.971   4.251
  116    HB1  ALA  16           HB1      ALA  16 -11.517  -6.221   6.615
  117    HB2  ALA  16           HB2      ALA  16 -12.340  -7.781   6.655
  118    HB3  ALA  16           HB3      ALA  16 -13.261  -6.306   6.368
  119    H    THR  17           HN       THR  17 -11.618  -9.446   4.760
  120    HA   THR  17           HA       THR  17  -8.809  -9.421   4.932
  121    HB   THR  17           HB       THR  17 -10.674 -11.640   4.082
  122    HG1  THR  17           HG1      THR  17 -10.394 -10.485   6.405
  123   HG21  THR  17          HG21      THR  17  -7.789 -11.756   4.955
  124   HG22  THR  17          HG22      THR  17  -8.394 -12.067   3.329
  125   HG23  THR  17          HG23      THR  17  -8.829 -13.147   4.653
  126    H    GLU  18           HN       GLU  18 -10.967  -9.946   2.125
  127    HA   GLU  18           HA       GLU  18  -8.822 -10.367   0.335
  128    HB2  GLU  18           HB2      GLU  18 -11.700  -9.659  -0.140
  129    HB3  GLU  18           HB1      GLU  18 -10.570 -10.173  -1.371
  130    HG2  GLU  18           HG2      GLU  18 -10.351 -12.324  -0.268
  131    HG3  GLU  18           HG1      GLU  18 -11.466 -11.785   0.986
  132    H    GLN  19           HN       GLN  19 -10.631  -7.602   1.449
  133    HA   GLN  19           HA       GLN  19  -9.683  -5.703  -0.391
  134    HB2  GLN  19           HB2      GLN  19 -10.424  -5.399   2.520
  135    HB3  GLN  19           HB1      GLN  19 -10.249  -4.072   1.389
  136    HG2  GLN  19           HG2      GLN  19 -12.061  -4.917   0.069
  137    HG3  GLN  19           HG1      GLN  19 -12.200  -6.325   1.100
  138   HE21  GLN  19          HE21      GLN  19 -14.244  -4.504   0.457
  139   HE22  GLN  19          HE22      GLN  19 -14.759  -3.763   1.931
  140    H    ARG  20           HN       ARG  20  -8.374  -6.961   2.632
  141    HA   ARG  20           HA       ARG  20  -5.962  -5.509   2.708
  142    HB2  ARG  20           HB2      ARG  20  -5.984  -8.458   3.292
  143    HB3  ARG  20           HB1      ARG  20  -5.083  -7.184   4.097
  144    HG2  ARG  20           HG2      ARG  20  -7.130  -6.381   5.112
  145    HG3  ARG  20           HG1      ARG  20  -8.051  -7.646   4.288
  146    HD2  ARG  20           HD2      ARG  20  -7.630  -8.330   6.554
  147    HD3  ARG  20           HD1      ARG  20  -6.661  -9.321   5.473
  148    HE   ARG  20           HE       ARG  20  -5.005  -7.268   6.226
  149   HH11  ARG  20          HH11      ARG  20  -6.809  -9.776   7.867
  150   HH12  ARG  20          HH12      ARG  20  -5.719  -9.854   9.215
  151   HH21  ARG  20          HH21      ARG  20  -3.569  -7.357   8.017
  152   HH22  ARG  20          HH22      ARG  20  -3.888  -8.493   9.297
  153    H    ALA  21           HN       ALA  21  -6.817  -8.516   1.122
  154    HA   ALA  21           HA       ALA  21  -4.288  -9.199   0.143
  155    HB1  ALA  21           HB1      ALA  21  -6.171 -10.761   0.337
  156    HB2  ALA  21           HB2      ALA  21  -5.433 -10.795  -1.265
  157    HB3  ALA  21           HB3      ALA  21  -6.962  -9.951  -1.014
  158    H    VAL  22           HN       VAL  22  -6.867  -7.338  -1.382
  159    HA   VAL  22           HA       VAL  22  -5.693  -7.399  -3.957
  160    HB   VAL  22           HB       VAL  22  -7.282  -5.513  -4.493
  161   HG11  VAL  22          HG11      VAL  22  -9.180  -6.930  -4.544
  162   HG12  VAL  22          HG12      VAL  22  -8.606  -7.866  -3.160
  163   HG13  VAL  22          HG13      VAL  22  -7.769  -7.976  -4.713
  164   HG21  VAL  22          HG21      VAL  22  -7.456  -4.489  -2.311
  165   HG22  VAL  22          HG22      VAL  22  -8.109  -5.978  -1.626
  166   HG23  VAL  22          HG23      VAL  22  -9.045  -5.065  -2.813
  167    H    THR  23           HN       THR  23  -5.637  -4.806  -1.457
  168    HA   THR  23           HA       THR  23  -3.693  -3.496  -3.173
  169    HB   THR  23           HB       THR  23  -5.181  -1.980  -2.297
  170    HG1  THR  23           HG1      THR  23  -2.656  -1.815  -1.071
  171   HG21  THR  23          HG21      THR  23  -5.897  -3.239  -0.291
  172   HG22  THR  23          HG22      THR  23  -5.568  -1.534   0.037
  173   HG23  THR  23          HG23      THR  23  -4.383  -2.762   0.476
  174    H    ARG  24           HN       ARG  24  -3.614  -5.715  -0.593
  175    HA   ARG  24           HA       ARG  24  -0.937  -5.273   0.180
  176    HB2  ARG  24           HB2      ARG  24  -2.058  -7.043   1.295
  177    HB3  ARG  24           HB1      ARG  24  -2.578  -7.774  -0.216
  178    HG2  ARG  24           HG2      ARG  24   0.136  -7.849  -0.456
  179    HG3  ARG  24           HG1      ARG  24  -0.092  -8.104   1.275
  180    HD2  ARG  24           HD2      ARG  24  -0.039 -10.165  -0.171
  181    HD3  ARG  24           HD1      ARG  24  -1.422 -10.013   0.918
  182    HE   ARG  24           HE       ARG  24  -2.306  -8.942  -1.422
  183   HH11  ARG  24          HH11      ARG  24  -0.822 -11.996  -0.583
  184   HH12  ARG  24          HH12      ARG  24  -1.621 -12.874  -1.849
  185   HH21  ARG  24          HH21      ARG  24  -3.365 -10.105  -3.091
  186   HH22  ARG  24          HH22      ARG  24  -3.060 -11.806  -3.266
  187    H    LYS  25           HN       LYS  25  -2.473  -6.101  -2.706
  188    HA   LYS  25           HA       LYS  25  -0.045  -6.928  -4.028
  189    HB2  LYS  25           HB2      LYS  25  -1.750  -8.309  -4.705
  190    HB3  LYS  25           HB1      LYS  25  -2.978  -7.080  -4.503
  191    HG2  LYS  25           HG2      LYS  25  -2.776  -7.697  -6.815
  192    HG3  LYS  25           HG1      LYS  25  -2.278  -6.028  -6.564
  193    HD2  LYS  25           HD2      LYS  25   0.058  -6.671  -6.686
  194    HD3  LYS  25           HD1      LYS  25  -0.389  -8.375  -6.792
  195    HE2  LYS  25           HE2      LYS  25   0.184  -7.526  -8.987
  196    HE3  LYS  25           HE1      LYS  25  -1.530  -7.928  -8.921
  197    HZ1  LYS  25           HZ1      LYS  25  -2.035  -5.588  -8.623
  198    HZ2  LYS  25           HZ2      LYS  25  -1.142  -5.819 -10.041
  199    HZ3  LYS  25           HZ3      LYS  25  -0.392  -5.199  -8.662
  200    H    LEU  26           HN       LEU  26  -2.423  -4.249  -3.858
  201    HA   LEU  26           HA       LEU  26  -1.293  -2.766  -5.985
  202    HB2  LEU  26           HB2      LEU  26  -3.561  -2.392  -5.322
  203    HB3  LEU  26           HB1      LEU  26  -3.068  -1.982  -3.697
  204    HG   LEU  26           HG       LEU  26  -3.799  -0.099  -5.261
  205   HD11  LEU  26          HD11      LEU  26  -2.449   1.437  -4.099
  206   HD12  LEU  26          HD12      LEU  26  -1.179   0.232  -3.873
  207   HD13  LEU  26          HD13      LEU  26  -2.720   0.052  -3.030
  208   HD21  LEU  26          HD21      LEU  26  -2.442  -0.750  -7.184
  209   HD22  LEU  26          HD22      LEU  26  -0.987  -0.423  -6.243
  210   HD23  LEU  26          HD23      LEU  26  -2.096   0.895  -6.640
  211    H    VAL  27           HN       VAL  27  -0.948  -2.339  -2.418
  212    HA   VAL  27           HA       VAL  27   0.887  -0.242  -2.558
  213    HB   VAL  27           HB       VAL  27  -0.062  -0.789  -0.398
  214   HG11  VAL  27          HG11      VAL  27   0.760  -2.806   0.842
  215   HG12  VAL  27          HG12      VAL  27   1.399  -3.397  -0.697
  216   HG13  VAL  27          HG13      VAL  27  -0.331  -3.140  -0.504
  217   HG21  VAL  27          HG21      VAL  27   1.941  -0.755   0.989
  218   HG22  VAL  27          HG22      VAL  27   2.151   0.285  -0.420
  219   HG23  VAL  27          HG23      VAL  27   2.915  -1.309  -0.376
  220    H    LEU  28           HN       LEU  28   1.262  -3.648  -2.724
  221    HA   LEU  28           HA       LEU  28   4.037  -3.908  -2.778
  222    HB2  LEU  28           HB2      LEU  28   1.909  -5.569  -2.813
  223    HB3  LEU  28           HB1      LEU  28   2.379  -5.657  -4.494
  224    HG   LEU  28           HG       LEU  28   4.487  -6.611  -3.941
  225   HD11  LEU  28          HD11      LEU  28   3.760  -5.950  -1.103
  226   HD12  LEU  28          HD12      LEU  28   5.091  -5.283  -2.053
  227   HD13  LEU  28          HD13      LEU  28   5.115  -6.980  -1.572
  228   HD21  LEU  28          HD21      LEU  28   2.722  -8.218  -3.939
  229   HD22  LEU  28          HD22      LEU  28   2.216  -7.743  -2.315
  230   HD23  LEU  28          HD23      LEU  28   3.755  -8.582  -2.553
  231    H    ASP  29           HN       ASP  29   1.674  -3.476  -5.312
  232    HA   ASP  29           HA       ASP  29   3.399  -3.657  -7.540
  233    HB2  ASP  29           HB2      ASP  29   0.915  -3.865  -7.626
  234    HB3  ASP  29           HB1      ASP  29   0.803  -2.151  -7.277
  235    H    GLN  30           HN       GLN  30   2.067  -0.956  -5.720
  236    HA   GLN  30           HA       GLN  30   3.246   1.127  -7.130
  237    HB2  GLN  30           HB2      GLN  30   2.636   0.969  -4.202
  238    HB3  GLN  30           HB1      GLN  30   2.810   2.437  -5.146
  239    HG2  GLN  30           HG2      GLN  30   0.624   0.378  -5.387
  240    HG3  GLN  30           HG1      GLN  30   0.496   2.025  -4.783
  241   HE21  GLN  30          HE21      GLN  30   0.814   0.020  -7.583
  242   HE22  GLN  30          HE22      GLN  30   0.431   1.240  -8.751
  243    H    ALA  31           HN       ALA  31   4.312  -0.610  -4.269
  244    HA   ALA  31           HA       ALA  31   6.704   0.801  -3.797
  245    HB1  ALA  31           HB1      ALA  31   7.314  -1.104  -2.424
  246    HB2  ALA  31           HB2      ALA  31   6.084  -2.098  -3.216
  247    HB3  ALA  31           HB3      ALA  31   5.602  -0.737  -2.196
  248    H    ALA  32           HN       ALA  32   5.804  -1.726  -5.924
  249    HA   ALA  32           HA       ALA  32   8.388  -2.586  -6.695
  250    HB1  ALA  32           HB1      ALA  32   5.562  -2.894  -7.667
  251    HB2  ALA  32           HB2      ALA  32   6.739  -4.131  -7.165
  252    HB3  ALA  32           HB3      ALA  32   6.893  -3.356  -8.742
  253    H    SER  33           HN       SER  33   6.006  -0.317  -7.983
  254    HA   SER  33           HA       SER  33   7.414   0.435 -10.297
  255    HB2  SER  33           HB2      SER  33   5.080   0.960 -10.074
  256    HB3  SER  33           HB1      SER  33   5.369   1.862  -8.588
  257    HG   SER  33           HG       SER  33   6.737   2.699 -10.876
  258    H    VAL  34           HN       VAL  34   7.485   1.558  -6.981
  259    HA   VAL  34           HA       VAL  34   9.124   3.808  -7.285
  260    HB   VAL  34           HB       VAL  34   9.153   1.946  -4.927
  261   HG11  VAL  34          HG11      VAL  34  10.799   3.656  -4.766
  262   HG12  VAL  34          HG12      VAL  34   9.469   4.104  -3.696
  263   HG13  VAL  34          HG13      VAL  34   9.646   4.892  -5.263
  264   HG21  VAL  34          HG21      VAL  34   7.293   3.182  -4.024
  265   HG22  VAL  34          HG22      VAL  34   6.869   2.377  -5.529
  266   HG23  VAL  34          HG23      VAL  34   7.172   4.115  -5.513
  267    H    LEU  35           HN       LEU  35   9.833   0.584  -6.131
  268    HA   LEU  35           HA       LEU  35  12.543   0.988  -5.765
  269    HB2  LEU  35           HB2      LEU  35  10.579  -1.117  -5.626
  270    HB3  LEU  35           HB1      LEU  35  12.181  -1.721  -6.016
  271    HG   LEU  35           HG       LEU  35  12.979  -1.282  -3.917
  272   HD11  LEU  35          HD11      LEU  35  12.098   0.496  -2.425
  273   HD12  LEU  35          HD12      LEU  35  11.008   0.999  -3.724
  274   HD13  LEU  35          HD13      LEU  35  12.755   1.125  -3.936
  275   HD21  LEU  35          HD21      LEU  35  10.017  -1.572  -3.752
  276   HD22  LEU  35          HD22      LEU  35  11.005  -1.481  -2.288
  277   HD23  LEU  35          HD23      LEU  35  11.275  -2.775  -3.454
  278    H    GLY  36           HN       GLY  36  10.803  -0.225  -8.585
  279    HA2  GLY  36           HA2      GLY  36  12.179   0.271 -10.675
  280    HA3  GLY  36           HA1      GLY  36  13.412  -0.671  -9.854
  281    H    TYR  37           HN       TYR  37  10.228  -1.694  -9.387
  282    HA   TYR  37           HA       TYR  37  10.935  -4.173 -10.769
  283    HB2  TYR  37           HB2      TYR  37   8.749  -3.675  -8.756
  284    HB3  TYR  37           HB1      TYR  37   9.377  -5.232  -9.266
  285    HD1  TYR  37           HD1      TYR  37   9.151  -4.342  -6.403
  286    HD2  TYR  37           HD2      TYR  37  12.304  -4.009  -9.219
  287    HE1  TYR  37           HE1      TYR  37  10.761  -4.304  -4.563
  288    HE2  TYR  37           HE2      TYR  37  13.929  -3.944  -7.404
  289    HH   TYR  37           HH       TYR  37  13.116  -4.755  -4.176
  290    H    ALA  38           HN       ALA  38   9.039  -5.421 -11.640
  291    HA   ALA  38           HA       ALA  38   7.071  -3.631 -12.896
  292    HB1  ALA  38           HB1      ALA  38   7.391  -4.727 -15.040
  293    HB2  ALA  38           HB2      ALA  38   8.631  -5.768 -14.341
  294    HB3  ALA  38           HB3      ALA  38   8.911  -4.032 -14.477
  295    H    SER  39           HN       SER  39   7.662  -6.390 -11.123
  296    HA   SER  39           HA       SER  39   4.925  -7.286 -11.466
  297    HB2  SER  39           HB2      SER  39   7.290  -9.104 -11.981
  298    HB3  SER  39           HB1      SER  39   5.620  -9.648 -11.827
  299    HG   SER  39           HG       SER  39   5.930  -7.609 -13.629
  300    H    THR  40           HN       THR  40   6.547  -6.034  -9.386
  301    HA   THR  40           HA       THR  40   7.204  -6.198  -7.210
  302    HB   THR  40           HB       THR  40   5.637  -7.427  -5.715
  303    HG1  THR  40           HG1      THR  40   5.072  -8.764  -7.982
  304   HG21  THR  40          HG21      THR  40   4.461  -5.676  -7.868
  305   HG22  THR  40          HG22      THR  40   5.076  -5.175  -6.287
  306   HG23  THR  40          HG23      THR  40   3.596  -6.132  -6.399
  307    H    GLU  41           HN       GLU  41   8.725  -7.734  -8.870
  308    HA   GLU  41           HA       GLU  41   8.825 -10.471  -8.358
  309    HB2  GLU  41           HB2      GLU  41  11.171 -10.269  -9.337
  310    HB3  GLU  41           HB1      GLU  41   9.827  -9.724 -10.329
  311    HG2  GLU  41           HG2      GLU  41  11.137  -7.680  -8.656
  312    HG3  GLU  41           HG1      GLU  41  12.067  -8.322 -10.010
  313    H    SER  42           HN       SER  42  10.655  -7.852  -6.781
  314    HA   SER  42           HA       SER  42  11.793  -9.911  -5.022
  315    HB2  SER  42           HB2      SER  42  13.646  -8.116  -4.711
  316    HB3  SER  42           HB1      SER  42  13.622  -9.060  -6.204
  317    HG   SER  42           HG       SER  42  13.819  -6.942  -6.801
  318    H    LEU  43           HN       LEU  43   9.292  -8.580  -4.580
  319    HA   LEU  43           HA       LEU  43   9.898  -6.919  -2.250
  320    HB2  LEU  43           HB2      LEU  43   7.396  -7.403  -3.830
  321    HB3  LEU  43           HB1      LEU  43   7.407  -6.511  -2.318
  322    HG   LEU  43           HG       LEU  43   9.062  -5.732  -4.710
  323   HD11  LEU  43          HD11      LEU  43   7.390  -4.000  -5.085
  324   HD12  LEU  43          HD12      LEU  43   6.386  -4.702  -3.813
  325   HD13  LEU  43          HD13      LEU  43   6.719  -5.620  -5.281
  326   HD21  LEU  43          HD21      LEU  43   8.310  -4.344  -2.151
  327   HD22  LEU  43          HD22      LEU  43   9.147  -3.581  -3.500
  328   HD23  LEU  43          HD23      LEU  43   9.915  -4.905  -2.621
  329    H    ASP  44           HN       ASP  44   8.330  -7.183  -0.417
  330    HA   ASP  44           HA       ASP  44   7.347  -9.895  -0.006
  331    HB2  ASP  44           HB2      ASP  44   9.792  -9.421   0.998
  332    HB3  ASP  44           HB1      ASP  44   8.839  -8.666   2.267
  333    H    THR  45           HN       THR  45   5.576  -9.928   1.378
  334    HA   THR  45           HA       THR  45   4.584  -7.295   2.172
  335    HB   THR  45           HB       THR  45   2.438  -8.552   2.614
  336    HG1  THR  45           HG1      THR  45   3.484 -10.602   0.977
  337   HG21  THR  45          HG21      THR  45   1.882  -8.751   0.211
  338   HG22  THR  45          HG22      THR  45   3.593  -8.537  -0.164
  339   HG23  THR  45          HG23      THR  45   2.691  -7.243   0.627
  340    H    HIS  46           HN       HIS  46   6.215  -9.919   3.422
  341    HA   HIS  46           HA       HIS  46   5.118  -9.537   6.121
  342    HB2  HIS  46           HB2      HIS  46   6.908 -11.695   4.988
  343    HB3  HIS  46           HB1      HIS  46   6.445 -11.586   6.678
  344    HD1  HIS  46           HD1      HIS  46   4.626 -13.150   7.215
  345    HD2  HIS  46           HD2      HIS  46   4.323 -11.686   3.338
  346    HE1  HIS  46           HE1      HIS  46   2.602 -14.270   6.226
  347    HE2  HIS  46           HE2      HIS  46   2.570 -13.525   3.822
  348    H    GLU  47           HN       GLU  47   7.453  -8.296   4.209
  349    HA   GLU  47           HA       GLU  47   9.263  -7.840   6.473
  350    HB2  GLU  47           HB2      GLU  47  11.060  -8.312   5.220
  351    HB3  GLU  47           HB1      GLU  47   9.925  -9.106   4.143
  352    HG2  GLU  47           HG2      GLU  47   9.749  -6.953   2.878
  353    HG3  GLU  47           HG1      GLU  47  11.060  -6.338   3.889
  354    H    SER  48           HN       SER  48  10.193  -5.735   6.570
  355    HA   SER  48           HA       SER  48   8.092  -3.829   6.041
  356    HB2  SER  48           HB2      SER  48  10.679  -3.202   7.435
  357    HB3  SER  48           HB1      SER  48   9.065  -2.555   7.730
  358    HG   SER  48           HG       SER  48   9.168  -3.982   9.314
  359    H    PHE  49           HN       PHE  49   8.324  -1.894   4.961
  360    HA   PHE  49           HA       PHE  49   9.649  -1.870   2.535
  361    HB2  PHE  49           HB2      PHE  49   8.722   0.492   4.152
  362    HB3  PHE  49           HB1      PHE  49   9.173   0.556   2.456
  363    HD1  PHE  49           HD1      PHE  49   7.744  -0.284   0.763
  364    HD2  PHE  49           HD2      PHE  49   6.679  -0.622   4.861
  365    HE1  PHE  49           HE1      PHE  49   5.459  -0.887   0.116
  366    HE2  PHE  49           HE2      PHE  49   4.384  -1.227   4.219
  367    HZ   PHE  49           HZ       PHE  49   3.737  -1.254   1.895
  368    H    LYS  50           HN       LYS  50  10.729  -0.728   5.619
  369    HA   LYS  50           HA       LYS  50  13.069   0.522   5.161
  370    HB2  LYS  50           HB2      LYS  50  12.110  -0.251   7.341
  371    HB3  LYS  50           HB1      LYS  50  12.720  -1.852   6.981
  372    HG2  LYS  50           HG2      LYS  50  14.169  -0.681   8.519
  373    HG3  LYS  50           HG1      LYS  50  14.991  -1.040   7.005
  374    HD2  LYS  50           HD2      LYS  50  15.545   1.200   7.756
  375    HD3  LYS  50           HD1      LYS  50  14.606   1.272   6.267
  376    HE2  LYS  50           HE2      LYS  50  12.624   1.868   7.474
  377    HE3  LYS  50           HE1      LYS  50  13.425   1.592   9.020
  378    HZ1  LYS  50           HZ1      LYS  50  14.149   3.693   7.053
  379    HZ2  LYS  50           HZ2      LYS  50  14.913   3.428   8.537
  380    HZ3  LYS  50           HZ3      LYS  50  13.303   3.944   8.495
  381    H    ASP  51           HN       ASP  51  12.647  -2.968   5.178
  382    HA   ASP  51           HA       ASP  51  15.253  -3.559   4.201
  383    HB2  ASP  51           HB2      ASP  51  13.723  -5.090   5.547
  384    HB3  ASP  51           HB1      ASP  51  12.865  -5.386   4.042
  385    H    LEU  52           HN       LEU  52  12.221  -2.834   2.689
  386    HA   LEU  52           HA       LEU  52  12.840  -3.833   0.095
  387    HB2  LEU  52           HB2      LEU  52  10.806  -1.921   1.178
  388    HB3  LEU  52           HB1      LEU  52  10.984  -2.134  -0.537
  389    HG   LEU  52           HG       LEU  52  10.411  -4.516  -0.319
  390   HD11  LEU  52          HD11      LEU  52  10.091  -3.829   2.583
  391   HD12  LEU  52          HD12      LEU  52  11.232  -4.977   1.881
  392   HD13  LEU  52          HD13      LEU  52   9.499  -5.307   1.829
  393   HD21  LEU  52          HD21      LEU  52   8.465  -2.632   0.981
  394   HD22  LEU  52          HD22      LEU  52   8.074  -4.249   0.395
  395   HD23  LEU  52          HD23      LEU  52   8.598  -3.000  -0.741
  396    H    GLY  53           HN       GLY  53  13.724  -1.093   1.901
  397    HA2  GLY  53           HA2      GLY  53  15.707   0.041   1.219
  398    HA3  GLY  53           HA1      GLY  53  15.183  -0.102  -0.446
  399    H    PHE  54           HN       PHE  54  12.592   0.768   1.571
  400    HA   PHE  54           HA       PHE  54  12.490   3.324   0.320
  401    HB2  PHE  54           HB2      PHE  54  10.739   2.014   2.401
  402    HB3  PHE  54           HB1      PHE  54  10.437   3.623   1.748
  403    HD1  PHE  54           HD1      PHE  54   9.637   3.935  -0.478
  404    HD2  PHE  54           HD2      PHE  54  10.589   0.065   0.983
  405    HE1  PHE  54           HE1      PHE  54   8.445   2.940  -2.373
  406    HE2  PHE  54           HE2      PHE  54   9.413  -0.953  -0.900
  407    HZ   PHE  54           HZ       PHE  54   8.468   0.537  -2.717
  408    H    ASP  55           HN       ASP  55  12.166   5.349   1.431
  409    HA   ASP  55           HA       ASP  55  13.263   5.818   4.018
  410    HB2  ASP  55           HB2      ASP  55  15.271   5.306   2.368
  411    HB3  ASP  55           HB1      ASP  55  14.973   6.959   1.836
  412    H    SER  56           HN       SER  56  14.165   8.490   3.526
  413    HA   SER  56           HA       SER  56  11.631   9.813   3.259
  414    HB2  SER  56           HB2      SER  56  14.392  11.039   3.466
  415    HB3  SER  56           HB1      SER  56  12.855  11.834   3.813
  416    HG   SER  56           HG       SER  56  12.676   9.899   5.366
  417    H    LEU  57           HN       LEU  57  12.420   8.474   0.912
  418    HA   LEU  57           HA       LEU  57  12.340  10.617  -1.045
  419    HB2  LEU  57           HB2      LEU  57  14.106   8.197  -1.230
  420    HB3  LEU  57           HB1      LEU  57  13.986   9.474  -2.424
  421    HG   LEU  57           HG       LEU  57  14.979   9.889   0.386
  422   HD11  LEU  57          HD11      LEU  57  16.447   8.334  -0.767
  423   HD12  LEU  57          HD12      LEU  57  17.233   9.902  -0.580
  424   HD13  LEU  57          HD13      LEU  57  16.562   9.432  -2.142
  425   HD21  LEU  57          HD21      LEU  57  14.141  11.891  -0.685
  426   HD22  LEU  57          HD22      LEU  57  15.139  11.584  -2.106
  427   HD23  LEU  57          HD23      LEU  57  15.898  11.967  -0.560
  428    H    THR  58           HN       THR  58  12.654   7.101  -0.985
  429    HA   THR  58           HA       THR  58  10.854   6.722  -3.134
  430    HB   THR  58           HB       THR  58  11.075   4.259  -2.304
  431    HG1  THR  58           HG1      THR  58  13.419   4.649  -1.131
  432   HG21  THR  58          HG21      THR  58  12.230   5.200  -4.260
  433   HG22  THR  58          HG22      THR  58  13.261   4.077  -3.373
  434   HG23  THR  58          HG23      THR  58  13.501   5.816  -3.204
  435    H    ALA  59           HN       ALA  59  10.568   6.286   0.372
  436    HA   ALA  59           HA       ALA  59   8.034   5.172   0.459
  437    HB1  ALA  59           HB1      ALA  59   7.882   6.016   2.718
  438    HB2  ALA  59           HB2      ALA  59   9.130   7.223   2.394
  439    HB3  ALA  59           HB3      ALA  59   9.547   5.511   2.421
  440    H    LEU  60           HN       LEU  60   9.099   8.454  -0.020
  441    HA   LEU  60           HA       LEU  60   6.633   9.750   0.338
  442    HB2  LEU  60           HB2      LEU  60   9.114  10.491  -1.196
  443    HB3  LEU  60           HB1      LEU  60   7.735  11.565  -1.062
  444    HG   LEU  60           HG       LEU  60   9.537  12.135   0.532
  445   HD11  LEU  60          HD11      LEU  60   7.225  12.687   1.067
  446   HD12  LEU  60          HD12      LEU  60   8.165  12.310   2.512
  447   HD13  LEU  60          HD13      LEU  60   7.042  11.120   1.857
  448   HD21  LEU  60          HD21      LEU  60  10.413   9.906   0.970
  449   HD22  LEU  60          HD22      LEU  60   8.899   9.463   1.765
  450   HD23  LEU  60          HD23      LEU  60   9.936  10.704   2.471
  451    H    GLU  61           HN       GLU  61   8.265   8.595  -2.608
  452    HA   GLU  61           HA       GLU  61   6.054   9.368  -4.261
  453    HB2  GLU  61           HB2      GLU  61   7.268   7.817  -5.953
  454    HB3  GLU  61           HB1      GLU  61   8.022   9.339  -5.479
  455    HG2  GLU  61           HG2      GLU  61   9.346   8.050  -3.798
  456    HG3  GLU  61           HG1      GLU  61   8.684   6.581  -4.509
  457    H    LEU  62           HN       LEU  62   6.954   6.468  -2.534
  458    HA   LEU  62           HA       LEU  62   5.010   4.753  -3.720
  459    HB2  LEU  62           HB2      LEU  62   6.772   3.804  -2.392
  460    HB3  LEU  62           HB1      LEU  62   6.277   4.734  -0.995
  461    HG   LEU  62           HG       LEU  62   4.161   3.499  -0.909
  462   HD11  LEU  62          HD11      LEU  62   3.885   2.992  -3.236
  463   HD12  LEU  62          HD12      LEU  62   3.895   1.495  -2.299
  464   HD13  LEU  62          HD13      LEU  62   5.321   1.971  -3.218
  465   HD21  LEU  62          HD21      LEU  62   6.189   2.766   0.294
  466   HD22  LEU  62          HD22      LEU  62   6.524   1.656  -1.036
  467   HD23  LEU  62          HD23      LEU  62   5.057   1.464  -0.071
  468    H    ARG  63           HN       ARG  63   5.030   6.780  -0.833
  469    HA   ARG  63           HA       ARG  63   2.434   6.272   0.074
  470    HB2  ARG  63           HB2      ARG  63   3.905   7.478   1.491
  471    HB3  ARG  63           HB1      ARG  63   4.310   8.631   0.229
  472    HG2  ARG  63           HG2      ARG  63   1.681   9.114   0.433
  473    HG3  ARG  63           HG1      ARG  63   2.024   8.588   2.085
  474    HD2  ARG  63           HD2      ARG  63   2.265  11.012   1.848
  475    HD3  ARG  63           HD1      ARG  63   3.797  10.246   2.259
  476    HE   ARG  63           HE       ARG  63   4.507  10.563  -0.015
  477   HH11  ARG  63          HH11      ARG  63   1.559  12.237   0.883
  478   HH12  ARG  63          HH12      ARG  63   1.665  13.381  -0.420
  479   HH21  ARG  63          HH21      ARG  63   4.642  12.071  -1.733
  480   HH22  ARG  63          HH22      ARG  63   3.412  13.285  -1.905
  481    H    ASP  64           HN       ASP  64   3.811   8.619  -2.137
  482    HA   ASP  64           HA       ASP  64   1.572   9.960  -3.029
  483    HB2  ASP  64           HB2      ASP  64   3.955  10.465  -3.562
  484    HB3  ASP  64           HB1      ASP  64   3.943   9.102  -4.666
  485    H    HIS  65           HN       HIS  65   2.973   6.905  -4.117
  486    HA   HIS  65           HA       HIS  65   1.228   6.401  -6.248
  487    HB2  HIS  65           HB2      HIS  65   2.789   4.555  -4.486
  488    HB3  HIS  65           HB1      HIS  65   1.869   3.999  -5.860
  489    HD1  HIS  65           HD1      HIS  65   2.848   6.541  -7.680
  490    HD2  HIS  65           HD2      HIS  65   5.151   3.815  -5.589
  491    HE1  HIS  65           HE1      HIS  65   5.145   6.621  -8.728
  492    HE2  HIS  65           HE2      HIS  65   6.533   5.044  -7.384
  493    H    LEU  66           HN       LEU  66   1.014   5.498  -2.793
  494    HA   LEU  66           HA       LEU  66  -1.195   3.765  -3.132
  495    HB2  LEU  66           HB2      LEU  66   0.016   5.190  -0.815
  496    HB3  LEU  66           HB1      LEU  66  -1.503   4.354  -0.612
  497    HG   LEU  66           HG       LEU  66  -0.549   2.266  -0.775
  498   HD11  LEU  66          HD11      LEU  66   1.580   1.764  -1.855
  499   HD12  LEU  66          HD12      LEU  66   1.779   3.470  -2.258
  500   HD13  LEU  66          HD13      LEU  66   0.460   2.542  -2.971
  501   HD21  LEU  66          HD21      LEU  66   1.652   4.039   0.242
  502   HD22  LEU  66          HD22      LEU  66   1.580   2.292   0.470
  503   HD23  LEU  66          HD23      LEU  66   0.341   3.327   1.182
  504    H    GLN  67           HN       GLN  67  -0.960   7.174  -2.334
  505    HA   GLN  67           HA       GLN  67  -3.752   7.547  -1.837
  506    HB2  GLN  67           HB2      GLN  67  -1.863   9.703  -2.728
  507    HB3  GLN  67           HB1      GLN  67  -3.257   9.843  -1.664
  508    HG2  GLN  67           HG2      GLN  67  -2.150   8.901   0.125
  509    HG3  GLN  67           HG1      GLN  67  -0.966   8.123  -0.932
  510   HE21  GLN  67          HE21      GLN  67  -0.328  10.355  -2.492
  511   HE22  GLN  67          HE22      GLN  67   0.578  11.445  -1.515
  512    H    THR  68           HN       THR  68  -1.635   7.833  -4.603
  513    HA   THR  68           HA       THR  68  -3.499   8.900  -6.395
  514    HB   THR  68           HB       THR  68  -0.885   7.491  -6.479
  515    HG1  THR  68           HG1      THR  68  -0.497   9.564  -6.270
  516   HG21  THR  68          HG21      THR  68  -0.790   7.679  -8.921
  517   HG22  THR  68          HG22      THR  68  -2.485   8.170  -8.945
  518   HG23  THR  68          HG23      THR  68  -2.038   6.555  -8.392
  519    H    ALA  69           HN       ALA  69  -2.335   5.691  -5.725
  520    HA   ALA  69           HA       ALA  69  -3.917   4.167  -7.380
  521    HB1  ALA  69           HB1      ALA  69  -2.011   3.307  -6.188
  522    HB2  ALA  69           HB2      ALA  69  -3.442   2.339  -5.822
  523    HB3  ALA  69           HB3      ALA  69  -2.851   3.522  -4.654
  524    H    THR  70           HN       THR  70  -4.558   5.073  -3.990
  525    HA   THR  70           HA       THR  70  -7.115   3.668  -4.105
  526    HB   THR  70           HB       THR  70  -7.228   4.054  -1.692
  527    HG1  THR  70           HG1      THR  70  -4.695   5.324  -1.794
  528   HG21  THR  70          HG21      THR  70  -5.250   2.830  -1.012
  529   HG22  THR  70          HG22      THR  70  -4.441   3.256  -2.519
  530   HG23  THR  70          HG23      THR  70  -5.848   2.186  -2.541
  531    H    GLY  71           HN       GLY  71  -5.859   6.912  -3.781
  532    HA2  GLY  71           HA2      GLY  71  -7.075   8.858  -4.386
  533    HA3  GLY  71           HA1      GLY  71  -8.571   7.971  -4.137
  534    H    LEU  72           HN       LEU  72  -6.598   7.201  -1.662
  535    HA   LEU  72           HA       LEU  72  -8.221   8.844   0.122
  536    HB2  LEU  72           HB2      LEU  72  -6.670   6.289   0.427
  537    HB3  LEU  72           HB1      LEU  72  -7.217   7.182   1.830
  538    HG   LEU  72           HG       LEU  72  -8.696   5.285   1.212
  539   HD11  LEU  72          HD11      LEU  72  -9.532   7.251   2.454
  540   HD12  LEU  72          HD12      LEU  72 -10.769   6.424   1.508
  541   HD13  LEU  72          HD13      LEU  72 -10.075   7.942   0.923
  542   HD21  LEU  72          HD21      LEU  72 -10.165   5.440  -0.707
  543   HD22  LEU  72          HD22      LEU  72  -8.479   5.390  -1.213
  544   HD23  LEU  72          HD23      LEU  72  -9.356   6.918  -1.227
  545    H    ASN  73           HN       ASN  73  -6.666   8.880   2.401
  546    HA   ASN  73           HA       ASN  73  -4.570  10.742   1.501
  547    HB2  ASN  73           HB2      ASN  73  -6.605  11.870   2.379
  548    HB3  ASN  73           HB1      ASN  73  -6.354  11.056   3.918
  549   HD21  ASN  73          HD21      ASN  73  -6.148  13.014   4.990
  550   HD22  ASN  73          HD22      ASN  73  -4.724  13.985   4.857
  551    H    LEU  74           HN       LEU  74  -2.833   9.420   1.802
  552    HA   LEU  74           HA       LEU  74  -2.470   8.159   4.393
  553    HB2  LEU  74           HB2      LEU  74  -0.938   7.890   1.812
  554    HB3  LEU  74           HB1      LEU  74  -0.555   7.030   3.295
  555    HG   LEU  74           HG       LEU  74  -3.057   6.221   3.094
  556   HD11  LEU  74          HD11      LEU  74  -3.798   5.897   0.813
  557   HD12  LEU  74          HD12      LEU  74  -2.361   6.723   0.201
  558   HD13  LEU  74          HD13      LEU  74  -3.569   7.620   1.121
  559   HD21  LEU  74          HD21      LEU  74  -2.228   4.303   1.735
  560   HD22  LEU  74          HD22      LEU  74  -1.258   4.701   3.150
  561   HD23  LEU  74          HD23      LEU  74  -0.711   5.180   1.541
  562    H    SER  75           HN       SER  75   0.521   8.221   4.297
  563    HA   SER  75           HA       SER  75   0.822  11.032   5.072
  564    HB2  SER  75           HB2      SER  75  -0.088   9.805   7.033
  565    HB3  SER  75           HB1      SER  75   1.334   8.765   7.005
  566    HG   SER  75           HG       SER  75   1.079  11.075   8.214
  567    H    SER  76           HN       SER  76   3.097  11.472   5.934
  568    HA   SER  76           HA       SER  76   4.904  10.866   3.876
  569    HB2  SER  76           HB2      SER  76   6.581  11.930   5.517
  570    HB3  SER  76           HB1      SER  76   5.220  12.915   4.980
  571    HG   SER  76           HG       SER  76   4.809  13.140   7.021
  572    H    THR  77           HN       THR  77   4.658   9.587   7.171
  573    HA   THR  77           HA       THR  77   6.857   7.723   6.583
  574    HB   THR  77           HB       THR  77   6.737   7.309   9.113
  575    HG1  THR  77           HG1      THR  77   5.889   9.640   9.894
  576   HG21  THR  77          HG21      THR  77   8.548   8.541   8.084
  577   HG22  THR  77          HG22      THR  77   8.078   9.335   9.588
  578   HG23  THR  77          HG23      THR  77   7.565  10.002   8.038
  579    H    LEU  78           HN       LEU  78   4.271   7.519   5.562
  580    HA   LEU  78           HA       LEU  78   2.378   5.994   6.795
  581    HB2  LEU  78           HB2      LEU  78   2.235   7.093   4.604
  582    HB3  LEU  78           HB1      LEU  78   3.318   5.901   3.943
  583    HG   LEU  78           HG       LEU  78   0.709   5.800   3.599
  584   HD11  LEU  78          HD11      LEU  78   0.947   3.337   3.298
  585   HD12  LEU  78          HD12      LEU  78   2.573   3.487   3.968
  586   HD13  LEU  78          HD13      LEU  78   2.147   4.335   2.469
  587   HD21  LEU  78          HD21      LEU  78   1.178   4.637   6.294
  588   HD22  LEU  78          HD22      LEU  78  -0.032   3.908   5.233
  589   HD23  LEU  78          HD23      LEU  78  -0.171   5.605   5.688
  590    H    ILE  79           HN       ILE  79   4.903   4.674   4.665
  591    HA   ILE  79           HA       ILE  79   4.356   1.966   5.456
  592    HB   ILE  79           HB       ILE  79   6.174   1.381   3.974
  593   HG12  ILE  79          HG12      ILE  79   6.761   4.328   4.027
  594   HG13  ILE  79          HG11      ILE  79   7.846   3.000   4.426
  595   HG21  ILE  79          HG21      ILE  79   4.488   3.617   2.873
  596   HG22  ILE  79          HG22      ILE  79   4.058   1.902   2.932
  597   HG23  ILE  79          HG23      ILE  79   5.398   2.445   1.918
  598   HD11  ILE  79          HD11      ILE  79   6.836   3.847   1.742
  599   HD12  ILE  79          HD12      ILE  79   7.637   2.294   2.018
  600   HD13  ILE  79          HD13      ILE  79   8.503   3.801   2.320
  601    H    PHE  80           HN       PHE  80   5.768   4.226   7.220
  602    HA   PHE  80           HA       PHE  80   7.619   2.297   8.438
  603    HB2  PHE  80           HB2      PHE  80   7.755   5.320   8.471
  604    HB3  PHE  80           HB1      PHE  80   8.852   4.248   9.338
  605    HD1  PHE  80           HD1      PHE  80   9.044   6.352   6.831
  606    HD2  PHE  80           HD2      PHE  80   9.349   2.148   7.383
  607    HE1  PHE  80           HE1      PHE  80  10.432   6.187   4.808
  608    HE2  PHE  80           HE2      PHE  80  10.736   1.960   5.363
  609    HZ   PHE  80           HZ       PHE  80  11.287   3.994   4.073
  610    H    ASP  81           HN       ASP  81   4.798   4.038   8.633
  611    HA   ASP  81           HA       ASP  81   4.457   3.806  11.491
  612    HB2  ASP  81           HB2      ASP  81   3.283   5.441   9.698
  613    HB3  ASP  81           HB1      ASP  81   2.164   4.096   9.651
  614    H    HIS  82           HN       HIS  82   3.572   2.332   8.505
  615    HA   HIS  82           HA       HIS  82   2.609  -0.079   9.860
  616    HB2  HIS  82           HB2      HIS  82   1.831   0.866   7.094
  617    HB3  HIS  82           HB1      HIS  82   1.072  -0.399   8.046
  618    HD1  HIS  82           HD1      HIS  82  -0.459   0.374  10.033
  619    HD2  HIS  82           HD2      HIS  82   1.028   3.448   7.665
  620    HE1  HIS  82           HE1      HIS  82  -1.735   2.430  10.713
  621    HE2  HIS  82           HE2      HIS  82  -0.636   4.308   9.449
  622    HA   PRO  83           HA       PRO  83   6.632  -0.947   8.457
  623    HB2  PRO  83           HB2      PRO  83   6.695  -3.623   9.086
  624    HB3  PRO  83           HB1      PRO  83   6.896  -2.318  10.262
  625    HG2  PRO  83           HG2      PRO  83   4.431  -3.898   9.584
  626    HG3  PRO  83           HG1      PRO  83   5.053  -3.416  11.178
  627    HD2  PRO  83           HD2      PRO  83   3.046  -2.074  10.006
  628    HD3  PRO  83           HD1      PRO  83   4.285  -1.234  10.949
  629    H    THR  84           HN       THR  84   4.074  -3.155   7.364
  630    HA   THR  84           HA       THR  84   5.774  -3.796   5.069
  631    HB   THR  84           HB       THR  84   4.733  -5.999   5.041
  632    HG1  THR  84           HG1      THR  84   3.540  -6.442   7.165
  633   HG21  THR  84          HG21      THR  84   5.858  -5.282   7.754
  634   HG22  THR  84          HG22      THR  84   6.798  -5.716   6.328
  635   HG23  THR  84          HG23      THR  84   5.745  -6.911   7.085
  636    HA   PRO  85           HA       PRO  85   2.476  -2.618   2.335
  637    HB2  PRO  85           HB2      PRO  85   2.827  -5.232   0.996
  638    HB3  PRO  85           HB1      PRO  85   2.960  -3.611   0.322
  639    HG2  PRO  85           HG2      PRO  85   5.113  -5.161   0.760
  640    HG3  PRO  85           HG1      PRO  85   5.164  -3.396   0.914
  641    HD2  PRO  85           HD2      PRO  85   5.102  -5.475   3.033
  642    HD3  PRO  85           HD1      PRO  85   5.884  -3.889   3.032
  643    H    HIS  86           HN       HIS  86   2.627  -5.485   4.108
  644    HA   HIS  86           HA       HIS  86  -0.090  -6.359   3.731
  645    HB2  HIS  86           HB2      HIS  86   1.228  -8.084   4.503
  646    HB3  HIS  86           HB1      HIS  86   2.210  -7.039   5.495
  647    HD1  HIS  86           HD1      HIS  86  -0.514  -9.454   5.678
  648    HD2  HIS  86           HD2      HIS  86   0.900  -6.306   8.005
  649    HE1  HIS  86           HE1      HIS  86  -1.505  -9.809   7.961
  650    HE2  HIS  86           HE2      HIS  86  -0.791  -7.790   9.291
  651    H    ALA  87           HN       ALA  87   1.721  -4.522   6.128
  652    HA   ALA  87           HA       ALA  87  -0.509  -4.026   7.850
  653    HB1  ALA  87           HB1      ALA  87   1.835  -4.096   8.652
  654    HB2  ALA  87           HB2      ALA  87   1.015  -2.594   9.079
  655    HB3  ALA  87           HB3      ALA  87   2.158  -2.622   7.734
  656    H    VAL  88           HN       VAL  88   0.797  -2.652   5.074
  657    HA   VAL  88           HA       VAL  88  -0.363  -0.025   5.488
  658    HB   VAL  88           HB       VAL  88   1.149  -1.264   3.210
  659   HG11  VAL  88          HG11      VAL  88  -0.399   0.290   2.272
  660   HG12  VAL  88          HG12      VAL  88   1.217   0.999   2.230
  661   HG13  VAL  88          HG13      VAL  88   0.055   1.517   3.452
  662   HG21  VAL  88          HG21      VAL  88   1.909   0.865   5.197
  663   HG22  VAL  88          HG22      VAL  88   2.902   0.341   3.837
  664   HG23  VAL  88          HG23      VAL  88   2.522  -0.792   5.137
  665    H    ALA  89           HN       ALA  89  -0.808  -2.817   3.371
  666    HA   ALA  89           HA       ALA  89  -2.938  -1.770   1.902
  667    HB1  ALA  89           HB1      ALA  89  -1.790  -3.780   1.216
  668    HB2  ALA  89           HB2      ALA  89  -3.518  -4.087   1.377
  669    HB3  ALA  89           HB3      ALA  89  -2.398  -4.642   2.629
  670    H    GLU  90           HN       GLU  90  -2.924  -3.536   5.033
  671    HA   GLU  90           HA       GLU  90  -5.788  -3.554   5.169
  672    HB2  GLU  90           HB2      GLU  90  -5.408  -4.102   7.581
  673    HB3  GLU  90           HB1      GLU  90  -4.601  -5.186   6.455
  674    HG2  GLU  90           HG2      GLU  90  -2.509  -4.115   6.825
  675    HG3  GLU  90           HG1      GLU  90  -3.264  -2.867   7.811
  676    H    HIS  91           HN       HIS  91  -3.250  -1.380   6.062
  677    HA   HIS  91           HA       HIS  91  -4.747   0.439   7.565
  678    HB2  HIS  91           HB2      HIS  91  -2.403   0.655   7.692
  679    HB3  HIS  91           HB1      HIS  91  -2.226   0.693   5.935
  680    HD1  HIS  91           HD1      HIS  91  -3.610   2.859   8.755
  681    HD2  HIS  91           HD2      HIS  91  -2.158   3.152   4.871
  682    HE1  HIS  91           HE1      HIS  91  -3.480   5.325   8.270
  683    HE2  HIS  91           HE2      HIS  91  -2.657   5.495   5.900
  684    H    LEU  92           HN       LEU  92  -4.531  -0.196   4.176
  685    HA   LEU  92           HA       LEU  92  -5.707   2.265   3.357
  686    HB2  LEU  92           HB2      LEU  92  -4.897  -0.268   2.039
  687    HB3  LEU  92           HB1      LEU  92  -6.135   0.692   1.239
  688    HG   LEU  92           HG       LEU  92  -4.692   2.486   0.868
  689   HD11  LEU  92          HD11      LEU  92  -2.365   2.494   1.946
  690   HD12  LEU  92          HD12      LEU  92  -3.045   1.347   3.098
  691   HD13  LEU  92          HD13      LEU  92  -3.741   2.964   2.942
  692   HD21  LEU  92          HD21      LEU  92  -2.963   0.033   0.716
  693   HD22  LEU  92          HD22      LEU  92  -2.685   1.550  -0.140
  694   HD23  LEU  92          HD23      LEU  92  -4.107   0.576  -0.511
  695    H    LEU  93           HN       LEU  93  -6.884  -0.590   4.718
  696    HA   LEU  93           HA       LEU  93  -9.567  -0.458   3.697
  697    HB2  LEU  93           HB2      LEU  93  -8.375  -1.857   6.064
  698    HB3  LEU  93           HB1      LEU  93 -10.093  -1.887   5.730
  699    HG   LEU  93           HG       LEU  93  -9.834  -3.265   3.869
  700   HD11  LEU  93          HD11      LEU  93  -8.119  -2.058   2.685
  701   HD12  LEU  93          HD12      LEU  93  -7.641  -3.751   2.831
  702   HD13  LEU  93          HD13      LEU  93  -6.910  -2.530   3.881
  703   HD21  LEU  93          HD21      LEU  93  -9.353  -4.369   6.010
  704   HD22  LEU  93          HD22      LEU  93  -7.632  -4.064   5.757
  705   HD23  LEU  93          HD23      LEU  93  -8.515  -5.124   4.655
  706    H    GLU  94           HN       GLU  94  -7.754   0.785   6.329
  707    HA   GLU  94           HA       GLU  94  -9.773   1.758   8.008
  708    HB2  GLU  94           HB2      GLU  94  -6.932   2.480   7.425
  709    HB3  GLU  94           HB1      GLU  94  -7.874   3.474   8.540
  710    HG2  GLU  94           HG2      GLU  94  -7.345   0.523   8.816
  711    HG3  GLU  94           HG1      GLU  94  -6.535   1.806   9.716
  712    H    GLN  95           HN       GLN  95  -8.472   2.876   5.018
  713    HA   GLN  95           HA       GLN  95  -9.508   5.546   5.198
  714    HB2  GLN  95           HB2      GLN  95  -8.575   4.147   2.713
  715    HB3  GLN  95           HB1      GLN  95  -8.406   5.844   3.152
  716    HG2  GLN  95           HG2      GLN  95  -6.987   3.601   4.554
  717    HG3  GLN  95           HG1      GLN  95  -6.298   4.521   3.227
  718   HE21  GLN  95          HE21      GLN  95  -5.570   4.200   6.057
  719   HE22  GLN  95          HE22      GLN  95  -5.446   5.808   6.678
  720    H    ILE  96           HN       ILE  96 -10.595   2.469   4.212
  721    HA   ILE  96           HA       ILE  96 -12.226   3.211   2.025
  722    HB   ILE  96           HB       ILE  96 -12.135   0.718   3.698
  723   HG12  ILE  96          HG12      ILE  96 -10.022   1.451   2.674
  724   HG13  ILE  96          HG11      ILE  96 -10.581  -0.085   2.055
  725   HG21  ILE  96          HG21      ILE  96 -14.190   0.946   2.294
  726   HG22  ILE  96          HG22      ILE  96 -13.186  -0.462   1.952
  727   HG23  ILE  96          HG23      ILE  96 -13.128   0.940   0.885
  728   HD11  ILE  96          HD11      ILE  96 -11.269   0.910   0.007
  729   HD12  ILE  96          HD12      ILE  96  -9.641   1.501   0.360
  730   HD13  ILE  96          HD13      ILE  96 -11.042   2.534   0.658
  731    HA   PRO  97           HA       PRO  97 -15.810   4.662   4.028
  732    HB2  PRO  97           HB2      PRO  97 -17.507   4.602   1.976
  733    HB3  PRO  97           HB1      PRO  97 -16.070   5.636   1.947
  734    HG2  PRO  97           HG2      PRO  97 -16.434   2.909   0.756
  735    HG3  PRO  97           HG1      PRO  97 -15.813   4.371  -0.018
  736    HD2  PRO  97           HD2      PRO  97 -14.187   2.483   0.980
  737    HD3  PRO  97           HD1      PRO  97 -13.773   4.195   1.022
  738    H    GLY  98           HN       GLY  98 -16.025   2.710   5.477
  739    HA2  GLY  98           HA2      GLY  98 -17.726   1.563   6.566
  740    HA3  GLY  98           HA1      GLY  98 -18.746   1.802   5.159
  741    H    ILE  99           HN       ILE  99 -17.590   0.550   3.166
  742    HA   ILE  99           HA       ILE  99 -18.067  -2.167   3.515
  743    HB   ILE  99           HB       ILE  99 -16.412  -2.274   1.415
  744   HG12  ILE  99          HG12      ILE  99 -17.409   0.500   1.043
  745   HG13  ILE  99          HG11      ILE  99 -16.006   0.285   2.081
  746   HG21  ILE  99          HG21      ILE  99 -18.333  -1.797  -0.011
  747   HG22  ILE  99          HG22      ILE  99 -19.168  -1.060   1.356
  748   HG23  ILE  99          HG23      ILE  99 -18.790  -2.783   1.378
  749   HD11  ILE  99          HD11      ILE  99 -16.261  -0.525  -0.799
  750   HD12  ILE  99          HD12      ILE  99 -14.878  -0.890   0.242
  751   HD13  ILE  99          HD13      ILE  99 -15.284   0.789  -0.127
  752    H    GLY 100           HN       GLY 100 -15.129  -0.346   4.003
  753    HA2  GLY 100           HA2      GLY 100 -13.609  -2.821   4.392
  754    HA3  GLY 100           HA1      GLY 100 -12.925  -1.226   4.095
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -5.858  14.068  -1.807
    2    H2   GLY   1           HT2      GLY   1  -6.305  15.574  -2.430
    3    H3   GLY   1           HT3      GLY   1  -4.841  14.869  -2.892
    4    HA2  GLY   1           HA1      GLY   1  -6.485  14.651  -4.644
    5    HA3  GLY   1           HA2      GLY   1  -5.985  13.088  -4.015
    6    H    SER   2           HN       SER   2  -8.522  14.150  -5.310
    7    HA   SER   2           HA       SER   2 -10.372  13.174  -3.242
    8    HB2  SER   2           HB2      SER   2 -10.934  15.230  -5.396
    9    HB3  SER   2           HB1      SER   2 -12.100  14.631  -4.217
   10    HG   SER   2           HG       SER   2 -11.069  15.685  -2.623
   11    H    THR   3           HN       THR   3 -10.611  11.097  -3.827
   12    HA   THR   3           HA       THR   3 -11.866  10.528  -6.373
   13    HB   THR   3           HB       THR   3  -9.214   9.273  -5.632
   14    HG1  THR   3           HG1      THR   3  -9.932  11.375  -7.228
   15   HG21  THR   3          HG21      THR   3 -11.069   8.686  -7.939
   16   HG22  THR   3          HG22      THR   3 -10.671   7.601  -6.601
   17   HG23  THR   3          HG23      THR   3  -9.429   8.058  -7.771
   18    H    ALA   4           HN       ALA   4 -10.075   8.256  -4.381
   19    HA   ALA   4           HA       ALA   4 -10.629   6.488  -3.122
   20    HB1  ALA   4           HB1      ALA   4 -13.222   7.929  -2.587
   21    HB2  ALA   4           HB2      ALA   4 -11.720   8.168  -1.695
   22    HB3  ALA   4           HB3      ALA   4 -12.539   6.606  -1.642
   23    H    THR   5           HN       THR   5 -13.659   7.386  -4.808
   24    HA   THR   5           HA       THR   5 -14.842   4.940  -5.072
   25    HB   THR   5           HB       THR   5 -14.790   6.932  -7.330
   26    HG1  THR   5           HG1      THR   5 -16.600   7.871  -6.086
   27   HG21  THR   5          HG21      THR   5 -16.950   5.098  -6.278
   28   HG22  THR   5          HG22      THR   5 -16.016   4.850  -7.753
   29   HG23  THR   5          HG23      THR   5 -17.118   6.221  -7.628
   30    H    LEU   6           HN       LEU   6 -12.044   6.020  -6.778
   31    HA   LEU   6           HA       LEU   6 -11.867   4.199  -8.854
   32    HB2  LEU   6           HB2      LEU   6 -10.271   5.934  -8.713
   33    HB3  LEU   6           HB1      LEU   6  -9.846   5.508  -7.068
   34    HG   LEU   6           HG       LEU   6  -8.724   3.475  -7.882
   35   HD11  LEU   6          HD11      LEU   6  -9.377   4.560 -10.621
   36   HD12  LEU   6          HD12      LEU   6 -10.040   3.094  -9.897
   37   HD13  LEU   6          HD13      LEU   6  -8.320   3.191 -10.276
   38   HD21  LEU   6          HD21      LEU   6  -6.817   4.603  -8.877
   39   HD22  LEU   6          HD22      LEU   6  -7.497   5.572  -7.568
   40   HD23  LEU   6          HD23      LEU   6  -7.818   6.007  -9.248
   41    H    LEU   7           HN       LEU   7 -10.281   3.871  -5.691
   42    HA   LEU   7           HA       LEU   7  -9.934   1.039  -6.111
   43    HB2  LEU   7           HB2      LEU   7  -8.628   3.024  -4.641
   44    HB3  LEU   7           HB1      LEU   7  -9.342   1.960  -3.443
   45    HG   LEU   7           HG       LEU   7  -7.008   1.345  -4.053
   46   HD11  LEU   7          HD11      LEU   7  -7.474  -1.021  -4.145
   47   HD12  LEU   7          HD12      LEU   7  -9.107  -0.704  -4.745
   48   HD13  LEU   7          HD13      LEU   7  -8.660  -0.224  -3.108
   49   HD21  LEU   7          HD21      LEU   7  -6.510   0.389  -6.168
   50   HD22  LEU   7          HD22      LEU   7  -7.318   1.926  -6.498
   51   HD23  LEU   7          HD23      LEU   7  -8.204   0.409  -6.653
   52    H    THR   8           HN       THR   8 -11.942   3.164  -4.260
   53    HA   THR   8           HA       THR   8 -12.943   1.410  -2.339
   54    HB   THR   8           HB       THR   8 -14.127   3.817  -3.673
   55    HG1  THR   8           HG1      THR   8 -12.304   4.059  -2.255
   56   HG21  THR   8          HG21      THR   8 -15.823   3.886  -1.902
   57   HG22  THR   8          HG22      THR   8 -15.246   2.336  -1.293
   58   HG23  THR   8          HG23      THR   8 -15.992   2.432  -2.886
   59    H    SER   9           HN       SER   9 -13.853   1.875  -5.697
   60    HA   SER   9           HA       SER   9 -16.172   0.251  -5.662
   61    HB2  SER   9           HB2      SER   9 -14.308   1.177  -7.839
   62    HB3  SER   9           HB1      SER   9 -15.691   0.130  -8.184
   63    HG   SER   9           HG       SER   9 -15.587   2.806  -7.441
   64    H    LYS  10           HN       LYS  10 -12.787  -0.434  -5.711
   65    HA   LYS  10           HA       LYS  10 -12.979  -3.177  -6.514
   66    HB2  LYS  10           HB2      LYS  10 -10.865  -1.618  -6.379
   67    HB3  LYS  10           HB1      LYS  10 -10.835  -2.100  -4.688
   68    HG2  LYS  10           HG2      LYS  10  -9.901  -3.517  -7.032
   69    HG3  LYS  10           HG1      LYS  10  -9.563  -3.804  -5.332
   70    HD2  LYS  10           HD2      LYS  10 -10.652  -5.724  -5.670
   71    HD3  LYS  10           HD1      LYS  10 -12.104  -4.741  -5.541
   72    HE2  LYS  10           HE2      LYS  10 -10.766  -5.851  -7.975
   73    HE3  LYS  10           HE1      LYS  10 -12.443  -5.978  -7.452
   74    HZ1  LYS  10           HZ1      LYS  10 -12.106  -4.493  -9.375
   75    HZ2  LYS  10           HZ2      LYS  10 -11.186  -3.462  -8.403
   76    HZ3  LYS  10           HZ3      LYS  10 -12.821  -3.715  -8.059
   77    H    LEU  11           HN       LEU  11 -12.460  -1.602  -3.378
   78    HA   LEU  11           HA       LEU  11 -12.511  -3.938  -1.851
   79    HB2  LEU  11           HB2      LEU  11 -13.278  -1.160  -0.980
   80    HB3  LEU  11           HB1      LEU  11 -12.947  -2.496   0.096
   81    HG   LEU  11           HG       LEU  11 -10.933  -1.430   0.182
   82   HD11  LEU  11          HD11      LEU  11  -9.330  -2.614  -1.157
   83   HD12  LEU  11          HD12      LEU  11 -10.579  -3.046  -2.330
   84   HD13  LEU  11          HD13      LEU  11 -10.630  -3.721  -0.697
   85   HD21  LEU  11          HD21      LEU  11 -11.005  -0.761  -2.748
   86   HD22  LEU  11          HD22      LEU  11  -9.971  -0.075  -1.488
   87   HD23  LEU  11          HD23      LEU  11 -11.696   0.292  -1.509
   88    H    ALA  12           HN       ALA  12 -15.078  -1.951  -3.037
   89    HA   ALA  12           HA       ALA  12 -17.274  -2.739  -1.605
   90    HB1  ALA  12           HB1      ALA  12 -17.043  -2.424  -4.600
   91    HB2  ALA  12           HB2      ALA  12 -17.328  -1.124  -3.438
   92    HB3  ALA  12           HB3      ALA  12 -18.547  -2.376  -3.676
   93    H    GLY  13           HN       GLY  13 -15.511  -4.528  -4.051
   94    HA2  GLY  13           HA2      GLY  13 -17.464  -6.657  -4.183
   95    HA3  GLY  13           HA1      GLY  13 -15.947  -6.552  -5.064
   96    H    LEU  14           HN       LEU  14 -14.894  -5.934  -2.114
   97    HA   LEU  14           HA       LEU  14 -14.287  -8.760  -1.635
   98    HB2  LEU  14           HB2      LEU  14 -12.820  -6.267  -0.907
   99    HB3  LEU  14           HB1      LEU  14 -12.369  -7.826  -0.320
  100    HG   LEU  14           HG       LEU  14 -10.942  -7.759  -2.026
  101   HD11  LEU  14          HD11      LEU  14 -11.775  -8.811  -4.046
  102   HD12  LEU  14          HD12      LEU  14 -13.432  -8.445  -3.561
  103   HD13  LEU  14          HD13      LEU  14 -12.458  -9.564  -2.600
  104   HD21  LEU  14          HD21      LEU  14 -11.257  -6.368  -4.011
  105   HD22  LEU  14          HD22      LEU  14 -11.404  -5.467  -2.502
  106   HD23  LEU  14          HD23      LEU  14 -12.850  -5.908  -3.411
  107    H    THR  15           HN       THR  15 -13.697  -9.253   0.581
  108    HA   THR  15           HA       THR  15 -15.300  -7.876   2.607
  109    HB   THR  15           HB       THR  15 -14.921  -9.823   3.990
  110    HG1  THR  15           HG1      THR  15 -13.577 -11.576   2.953
  111   HG21  THR  15          HG21      THR  15 -15.407 -10.709   1.144
  112   HG22  THR  15          HG22      THR  15 -16.635 -10.086   2.249
  113   HG23  THR  15          HG23      THR  15 -15.836 -11.623   2.594
  114    H    ALA  16           HN       ALA  16 -13.973  -7.597   4.765
  115    HA   ALA  16           HA       ALA  16 -11.911  -5.819   4.326
  116    HB1  ALA  16           HB1      ALA  16 -11.337  -6.064   6.680
  117    HB2  ALA  16           HB2      ALA  16 -12.246  -7.571   6.761
  118    HB3  ALA  16           HB3      ALA  16 -13.086  -6.051   6.466
  119    H    THR  17           HN       THR  17 -11.748  -9.295   4.534
  120    HA   THR  17           HA       THR  17  -8.906  -9.416   4.754
  121    HB   THR  17           HB       THR  17 -10.921 -11.561   4.055
  122    HG1  THR  17           HG1      THR  17 -11.347 -11.202   6.119
  123   HG21  THR  17          HG21      THR  17  -8.691 -12.129   3.285
  124   HG22  THR  17          HG22      THR  17  -9.152 -13.135   4.659
  125   HG23  THR  17          HG23      THR  17  -8.037 -11.787   4.886
  126    H    GLU  18           HN       GLU  18 -11.200  -9.723   2.015
  127    HA   GLU  18           HA       GLU  18  -9.048 -10.211   0.212
  128    HB2  GLU  18           HB2      GLU  18 -11.937  -9.522  -0.211
  129    HB3  GLU  18           HB1      GLU  18 -10.812  -9.932  -1.485
  130    HG2  GLU  18           HG2      GLU  18 -10.473 -12.122  -0.392
  131    HG3  GLU  18           HG1      GLU  18 -11.728 -11.689   0.760
  132    H    GLN  19           HN       GLN  19 -10.777  -7.457   1.431
  133    HA   GLN  19           HA       GLN  19  -9.931  -5.536  -0.438
  134    HB2  GLN  19           HB2      GLN  19 -10.594  -5.290   2.494
  135    HB3  GLN  19           HB1      GLN  19 -10.414  -3.929   1.398
  136    HG2  GLN  19           HG2      GLN  19 -12.275  -4.658   0.112
  137    HG3  GLN  19           HG1      GLN  19 -12.402  -6.132   1.038
  138   HE21  GLN  19          HE21      GLN  19 -14.416  -4.186   0.578
  139   HE22  GLN  19          HE22      GLN  19 -14.889  -3.588   2.129
  140    H    ARG  20           HN       ARG  20  -8.590  -6.628   2.638
  141    HA   ARG  20           HA       ARG  20  -6.268  -5.056   2.549
  142    HB2  ARG  20           HB2      ARG  20  -5.443  -6.420   4.280
  143    HB3  ARG  20           HB1      ARG  20  -7.181  -6.314   4.499
  144    HG2  ARG  20           HG2      ARG  20  -7.436  -8.413   3.332
  145    HG3  ARG  20           HG1      ARG  20  -5.678  -8.549   3.293
  146    HD2  ARG  20           HD2      ARG  20  -7.446  -8.493   5.720
  147    HD3  ARG  20           HD1      ARG  20  -6.483  -9.847   5.150
  148    HE   ARG  20           HE       ARG  20  -4.893  -7.546   5.767
  149   HH11  ARG  20          HH11      ARG  20  -6.463 -10.370   7.108
  150   HH12  ARG  20          HH12      ARG  20  -5.492 -10.388   8.544
  151   HH21  ARG  20          HH21      ARG  20  -3.620  -7.551   7.709
  152   HH22  ARG  20          HH22      ARG  20  -3.902  -8.803   8.884
  153    H    ALA  21           HN       ALA  21  -7.142  -8.063   1.132
  154    HA   ALA  21           HA       ALA  21  -4.563  -8.879   0.298
  155    HB1  ALA  21           HB1      ALA  21  -7.196  -9.684  -0.900
  156    HB2  ALA  21           HB2      ALA  21  -6.499 -10.395   0.554
  157    HB3  ALA  21           HB3      ALA  21  -5.670 -10.562  -0.993
  158    H    VAL  22           HN       VAL  22  -7.117  -7.083  -1.366
  159    HA   VAL  22           HA       VAL  22  -5.895  -7.272  -3.909
  160    HB   VAL  22           HB       VAL  22  -7.394  -5.342  -4.562
  161   HG11  VAL  22          HG11      VAL  22  -8.837  -7.616  -3.210
  162   HG12  VAL  22          HG12      VAL  22  -7.992  -7.767  -4.752
  163   HG13  VAL  22          HG13      VAL  22  -9.371  -6.673  -4.610
  164   HG21  VAL  22          HG21      VAL  22  -9.184  -4.748  -2.976
  165   HG22  VAL  22          HG22      VAL  22  -7.592  -4.242  -2.416
  166   HG23  VAL  22          HG23      VAL  22  -8.357  -5.672  -1.720
  167    H    THR  23           HN       THR  23  -5.681  -4.718  -1.411
  168    HA   THR  23           HA       THR  23  -3.710  -3.483  -3.150
  169    HB   THR  23           HB       THR  23  -5.085  -1.879  -2.272
  170    HG1  THR  23           HG1      THR  23  -2.583  -1.885  -0.978
  171   HG21  THR  23          HG21      THR  23  -4.402  -2.749   0.506
  172   HG22  THR  23          HG22      THR  23  -5.915  -3.141  -0.308
  173   HG23  THR  23          HG23      THR  23  -5.514  -1.460   0.056
  174    H    ARG  24           HN       ARG  24  -3.669  -5.742  -0.606
  175    HA   ARG  24           HA       ARG  24  -0.959  -5.314   0.152
  176    HB2  ARG  24           HB2      ARG  24  -2.319  -6.985   1.311
  177    HB3  ARG  24           HB1      ARG  24  -2.527  -7.886  -0.179
  178    HG2  ARG  24           HG2      ARG  24   0.123  -7.921  -0.076
  179    HG3  ARG  24           HG1      ARG  24  -0.205  -7.746   1.650
  180    HD2  ARG  24           HD2      ARG  24  -1.645  -9.711   1.579
  181    HD3  ARG  24           HD1      ARG  24  -1.352  -9.865  -0.151
  182    HE   ARG  24           HE       ARG  24   1.130  -9.931   1.021
  183   HH11  ARG  24          HH11      ARG  24  -1.808 -11.799   1.296
  184   HH12  ARG  24          HH12      ARG  24  -0.986 -13.283   1.652
  185   HH21  ARG  24          HH21      ARG  24   2.231 -11.882   1.472
  186   HH22  ARG  24          HH22      ARG  24   1.314 -13.333   1.748
  187    H    LYS  25           HN       LYS  25  -2.551  -6.066  -2.659
  188    HA   LYS  25           HA       LYS  25  -0.247  -7.068  -4.080
  189    HB2  LYS  25           HB2      LYS  25  -2.085  -8.305  -4.693
  190    HB3  LYS  25           HB1      LYS  25  -3.202  -6.990  -4.407
  191    HG2  LYS  25           HG2      LYS  25  -3.222  -7.507  -6.719
  192    HG3  LYS  25           HG1      LYS  25  -2.438  -5.946  -6.494
  193    HD2  LYS  25           HD2      LYS  25  -0.243  -7.048  -6.679
  194    HD3  LYS  25           HD1      LYS  25  -1.056  -8.593  -6.937
  195    HE2  LYS  25           HE2      LYS  25  -0.433  -7.777  -9.076
  196    HE3  LYS  25           HE1      LYS  25  -2.175  -7.556  -8.929
  197    HZ1  LYS  25           HZ1      LYS  25  -1.784  -5.232  -8.361
  198    HZ2  LYS  25           HZ2      LYS  25  -1.133  -5.605  -9.875
  199    HZ3  LYS  25           HZ3      LYS  25  -0.117  -5.455  -8.533
  200    H    LEU  26           HN       LEU  26  -2.439  -4.254  -3.815
  201    HA   LEU  26           HA       LEU  26  -1.264  -2.828  -5.974
  202    HB2  LEU  26           HB2      LEU  26  -3.534  -2.414  -5.376
  203    HB3  LEU  26           HB1      LEU  26  -3.082  -1.999  -3.741
  204    HG   LEU  26           HG       LEU  26  -3.747  -0.119  -5.331
  205   HD11  LEU  26          HD11      LEU  26  -1.148   0.199  -3.898
  206   HD12  LEU  26          HD12      LEU  26  -2.698   0.024  -3.077
  207   HD13  LEU  26          HD13      LEU  26  -2.414   1.406  -4.144
  208   HD21  LEU  26          HD21      LEU  26  -2.376  -0.792  -7.224
  209   HD22  LEU  26          HD22      LEU  26  -0.926  -0.517  -6.259
  210   HD23  LEU  26          HD23      LEU  26  -1.982   0.838  -6.672
  211    H    VAL  27           HN       VAL  27  -0.953  -2.352  -2.406
  212    HA   VAL  27           HA       VAL  27   0.864  -0.240  -2.578
  213    HB   VAL  27           HB       VAL  27  -0.079  -0.727  -0.411
  214   HG11  VAL  27          HG11      VAL  27   1.328  -3.368  -0.669
  215   HG12  VAL  27          HG12      VAL  27  -0.396  -3.069  -0.461
  216   HG13  VAL  27          HG13      VAL  27   0.722  -2.740   0.865
  217   HG21  VAL  27          HG21      VAL  27   1.929  -0.735   0.992
  218   HG22  VAL  27          HG22      VAL  27   2.139   0.314  -0.412
  219   HG23  VAL  27          HG23      VAL  27   2.891  -1.286  -0.382
  220    H    LEU  28           HN       LEU  28   1.253  -3.636  -2.698
  221    HA   LEU  28           HA       LEU  28   4.021  -3.920  -2.726
  222    HB2  LEU  28           HB2      LEU  28   1.906  -5.564  -2.751
  223    HB3  LEU  28           HB1      LEU  28   2.316  -5.625  -4.449
  224    HG   LEU  28           HG       LEU  28   4.438  -6.597  -3.990
  225   HD11  LEU  28          HD11      LEU  28   5.150  -5.338  -2.119
  226   HD12  LEU  28          HD12      LEU  28   5.105  -7.028  -1.617
  227   HD13  LEU  28          HD13      LEU  28   3.811  -5.924  -1.135
  228   HD21  LEU  28          HD21      LEU  28   2.683  -8.200  -3.973
  229   HD22  LEU  28          HD22      LEU  28   2.194  -7.744  -2.339
  230   HD23  LEU  28          HD23      LEU  28   3.728  -8.587  -2.603
  231    H    ASP  29           HN       ASP  29   1.694  -3.480  -5.304
  232    HA   ASP  29           HA       ASP  29   3.514  -3.698  -7.463
  233    HB2  ASP  29           HB2      ASP  29   0.981  -3.957  -7.532
  234    HB3  ASP  29           HB1      ASP  29   0.897  -2.205  -7.482
  235    H    GLN  30           HN       GLN  30   2.105  -0.991  -5.703
  236    HA   GLN  30           HA       GLN  30   3.280   1.094  -7.131
  237    HB2  GLN  30           HB2      GLN  30   2.644   0.950  -4.206
  238    HB3  GLN  30           HB1      GLN  30   2.834   2.415  -5.155
  239    HG2  GLN  30           HG2      GLN  30   0.652   0.360  -5.415
  240    HG3  GLN  30           HG1      GLN  30   0.519   2.012  -4.827
  241   HE21  GLN  30          HE21      GLN  30   0.895  -0.018  -7.599
  242   HE22  GLN  30          HE22      GLN  30   0.535   1.184  -8.793
  243    H    ALA  31           HN       ALA  31   4.343  -0.618  -4.252
  244    HA   ALA  31           HA       ALA  31   6.729   0.809  -3.782
  245    HB1  ALA  31           HB1      ALA  31   7.342  -1.074  -2.391
  246    HB2  ALA  31           HB2      ALA  31   6.129  -2.088  -3.185
  247    HB3  ALA  31           HB3      ALA  31   5.621  -0.727  -2.179
  248    H    ALA  32           HN       ALA  32   5.838  -1.747  -5.873
  249    HA   ALA  32           HA       ALA  32   8.424  -2.588  -6.652
  250    HB1  ALA  32           HB1      ALA  32   5.606  -2.932  -7.602
  251    HB2  ALA  32           HB2      ALA  32   6.810  -4.152  -7.134
  252    HB3  ALA  32           HB3      ALA  32   6.924  -3.355  -8.703
  253    H    SER  33           HN       SER  33   6.028  -0.347  -7.946
  254    HA   SER  33           HA       SER  33   7.400   0.403 -10.272
  255    HB2  SER  33           HB2      SER  33   5.060   0.906  -9.973
  256    HB3  SER  33           HB1      SER  33   5.401   1.855  -8.527
  257    HG   SER  33           HG       SER  33   6.258   2.467 -11.174
  258    H    VAL  34           HN       VAL  34   7.521   1.560  -6.964
  259    HA   VAL  34           HA       VAL  34   9.166   3.804  -7.314
  260    HB   VAL  34           HB       VAL  34   9.190   1.966  -4.930
  261   HG11  VAL  34          HG11      VAL  34   9.561   4.107  -3.704
  262   HG12  VAL  34          HG12      VAL  34   9.704   4.915  -5.264
  263   HG13  VAL  34          HG13      VAL  34  10.864   3.669  -4.808
  264   HG21  VAL  34          HG21      VAL  34   6.913   2.412  -5.507
  265   HG22  VAL  34          HG22      VAL  34   7.231   4.148  -5.548
  266   HG23  VAL  34          HG23      VAL  34   7.358   3.258  -4.032
  267    H    LEU  35           HN       LEU  35   9.858   0.578  -6.133
  268    HA   LEU  35           HA       LEU  35  12.579   0.957  -5.789
  269    HB2  LEU  35           HB2      LEU  35  10.601  -1.132  -5.620
  270    HB3  LEU  35           HB1      LEU  35  12.199  -1.746  -6.012
  271    HG   LEU  35           HG       LEU  35  13.006  -1.295  -3.920
  272   HD11  LEU  35          HD11      LEU  35  11.045   0.997  -3.738
  273   HD12  LEU  35          HD12      LEU  35  12.794   1.114  -3.952
  274   HD13  LEU  35          HD13      LEU  35  12.133   0.501  -2.438
  275   HD21  LEU  35          HD21      LEU  35  11.267  -2.782  -3.493
  276   HD22  LEU  35          HD22      LEU  35  10.038  -1.537  -3.719
  277   HD23  LEU  35          HD23      LEU  35  11.069  -1.516  -2.278
  278    H    GLY  36           HN       GLY  36  10.806  -0.164  -8.605
  279    HA2  GLY  36           HA2      GLY  36  12.160   0.286 -10.696
  280    HA3  GLY  36           HA1      GLY  36  13.398  -0.664  -9.892
  281    H    TYR  37           HN       TYR  37  10.189  -1.640  -9.421
  282    HA   TYR  37           HA       TYR  37  10.847  -4.125 -10.828
  283    HB2  TYR  37           HB2      TYR  37   8.734  -3.643  -8.738
  284    HB3  TYR  37           HB1      TYR  37   9.334  -5.193  -9.297
  285    HD1  TYR  37           HD1      TYR  37   9.197  -4.352  -6.410
  286    HD2  TYR  37           HD2      TYR  37  12.269  -4.009  -9.312
  287    HE1  TYR  37           HE1      TYR  37  10.860  -4.350  -4.618
  288    HE2  TYR  37           HE2      TYR  37  13.950  -3.980  -7.543
  289    HH   TYR  37           HH       TYR  37  14.131  -3.488  -5.157
  290    H    ALA  38           HN       ALA  38   8.975  -5.346 -11.719
  291    HA   ALA  38           HA       ALA  38   6.910  -3.569 -12.832
  292    HB1  ALA  38           HB1      ALA  38   8.728  -3.855 -14.480
  293    HB2  ALA  38           HB2      ALA  38   7.191  -4.521 -15.034
  294    HB3  ALA  38           HB3      ALA  38   8.456  -5.598 -14.437
  295    H    SER  39           HN       SER  39   7.589  -6.308 -11.132
  296    HA   SER  39           HA       SER  39   4.884  -7.295 -11.480
  297    HB2  SER  39           HB2      SER  39   7.316  -9.013 -12.031
  298    HB3  SER  39           HB1      SER  39   5.680  -9.643 -11.829
  299    HG   SER  39           HG       SER  39   5.694  -7.634 -13.630
  300    H    THR  40           HN       THR  40   6.442  -5.993  -9.393
  301    HA   THR  40           HA       THR  40   7.227  -6.171  -7.255
  302    HB   THR  40           HB       THR  40   5.745  -7.441  -5.710
  303    HG1  THR  40           HG1      THR  40   4.991  -8.630  -8.075
  304   HG21  THR  40          HG21      THR  40   3.667  -6.166  -6.267
  305   HG22  THR  40          HG22      THR  40   4.429  -5.703  -7.792
  306   HG23  THR  40          HG23      THR  40   5.136  -5.187  -6.258
  307    H    GLU  41           HN       GLU  41   8.673  -7.699  -9.019
  308    HA   GLU  41           HA       GLU  41   8.842 -10.426  -8.539
  309    HB2  GLU  41           HB2      GLU  41  11.132 -10.221  -9.592
  310    HB3  GLU  41           HB1      GLU  41   9.787  -9.583 -10.527
  311    HG2  GLU  41           HG2      GLU  41  11.227  -7.680  -8.779
  312    HG3  GLU  41           HG1      GLU  41  12.077  -8.272 -10.204
  313    H    SER  42           HN       SER  42  10.595  -7.798  -6.931
  314    HA   SER  42           HA       SER  42  11.792  -9.842  -5.193
  315    HB2  SER  42           HB2      SER  42  13.036  -7.197  -5.967
  316    HB3  SER  42           HB1      SER  42  13.787  -8.473  -5.009
  317    HG   SER  42           HG       SER  42  13.993  -8.216  -7.553
  318    H    LEU  43           HN       LEU  43   9.307  -8.649  -4.659
  319    HA   LEU  43           HA       LEU  43   9.947  -6.975  -2.344
  320    HB2  LEU  43           HB2      LEU  43   7.414  -7.405  -3.890
  321    HB3  LEU  43           HB1      LEU  43   7.466  -6.539  -2.365
  322    HG   LEU  43           HG       LEU  43   9.100  -5.739  -4.761
  323   HD11  LEU  43          HD11      LEU  43   7.425  -4.001  -5.103
  324   HD12  LEU  43          HD12      LEU  43   6.426  -4.729  -3.843
  325   HD13  LEU  43          HD13      LEU  43   6.763  -5.620  -5.327
  326   HD21  LEU  43          HD21      LEU  43   9.927  -4.958  -2.625
  327   HD22  LEU  43          HD22      LEU  43   8.326  -4.341  -2.214
  328   HD23  LEU  43          HD23      LEU  43   9.236  -3.619  -3.540
  329    H    ASP  44           HN       ASP  44   8.450  -7.242  -0.498
  330    HA   ASP  44           HA       ASP  44   7.460  -9.956  -0.067
  331    HB2  ASP  44           HB2      ASP  44   9.894  -9.415   0.930
  332    HB3  ASP  44           HB1      ASP  44   8.924  -8.651   2.180
  333    H    THR  45           HN       THR  45   5.640  -9.964   1.252
  334    HA   THR  45           HA       THR  45   4.650  -7.317   2.002
  335    HB   THR  45           HB       THR  45   2.506  -8.687   2.472
  336    HG1  THR  45           HG1      THR  45   3.734 -10.454   0.606
  337   HG21  THR  45          HG21      THR  45   1.923  -8.630   0.042
  338   HG22  THR  45          HG22      THR  45   3.600  -8.188  -0.282
  339   HG23  THR  45          HG23      THR  45   2.578  -7.130   0.691
  340    H    HIS  46           HN       HIS  46   6.256  -9.895   3.329
  341    HA   HIS  46           HA       HIS  46   5.113  -9.440   6.000
  342    HB2  HIS  46           HB2      HIS  46   6.792 -11.714   4.925
  343    HB3  HIS  46           HB1      HIS  46   6.363 -11.535   6.617
  344    HD1  HIS  46           HD1      HIS  46   4.486 -13.009   7.227
  345    HD2  HIS  46           HD2      HIS  46   4.176 -11.652   3.313
  346    HE1  HIS  46           HE1      HIS  46   2.399 -14.061   6.315
  347    HE2  HIS  46           HE2      HIS  46   2.195 -13.192   3.963
  348    H    GLU  47           HN       GLU  47   7.495  -8.309   4.089
  349    HA   GLU  47           HA       GLU  47   9.294  -7.852   6.364
  350    HB2  GLU  47           HB2      GLU  47  11.102  -8.288   5.104
  351    HB3  GLU  47           HB1      GLU  47   9.982  -9.076   4.007
  352    HG2  GLU  47           HG2      GLU  47   9.776  -6.889   2.798
  353    HG3  GLU  47           HG1      GLU  47  11.091  -6.288   3.813
  354    H    SER  48           HN       SER  48  10.188  -5.713   6.497
  355    HA   SER  48           HA       SER  48   8.041  -3.857   5.910
  356    HB2  SER  48           HB2      SER  48  10.528  -3.279   7.513
  357    HB3  SER  48           HB1      SER  48   8.944  -2.518   7.624
  358    HG   SER  48           HG       SER  48   8.764  -5.185   8.021
  359    H    PHE  49           HN       PHE  49   8.298  -1.887   4.925
  360    HA   PHE  49           HA       PHE  49   9.679  -1.813   2.538
  361    HB2  PHE  49           HB2      PHE  49   8.684   0.525   4.151
  362    HB3  PHE  49           HB1      PHE  49   9.149   0.592   2.457
  363    HD1  PHE  49           HD1      PHE  49   7.741  -0.281   0.757
  364    HD2  PHE  49           HD2      PHE  49   6.654  -0.623   4.847
  365    HE1  PHE  49           HE1      PHE  49   5.477  -0.928   0.095
  366    HE2  PHE  49           HE2      PHE  49   4.375  -1.273   4.190
  367    HZ   PHE  49           HZ       PHE  49   3.742  -1.307   1.870
  368    H    LYS  50           HN       LYS  50  10.690  -0.678   5.654
  369    HA   LYS  50           HA       LYS  50  12.989   0.677   5.167
  370    HB2  LYS  50           HB2      LYS  50  12.022  -0.123   7.379
  371    HB3  LYS  50           HB1      LYS  50  12.886  -1.611   7.083
  372    HG2  LYS  50           HG2      LYS  50  14.962  -0.611   7.203
  373    HG3  LYS  50           HG1      LYS  50  14.265   0.981   7.057
  374    HD2  LYS  50           HD2      LYS  50  15.002   0.520   9.344
  375    HD3  LYS  50           HD1      LYS  50  13.266   0.812   9.233
  376    HE2  LYS  50           HE2      LYS  50  12.837  -1.557   9.281
  377    HE3  LYS  50           HE1      LYS  50  14.563  -1.904   9.303
  378    HZ1  LYS  50           HZ1      LYS  50  13.071  -0.459  11.428
  379    HZ2  LYS  50           HZ2      LYS  50  14.726  -0.803  11.442
  380    HZ3  LYS  50           HZ3      LYS  50  13.602  -2.065  11.513
  381    H    ASP  51           HN       ASP  51  12.647  -2.819   5.240
  382    HA   ASP  51           HA       ASP  51  15.259  -3.408   4.326
  383    HB2  ASP  51           HB2      ASP  51  13.791  -4.991   5.578
  384    HB3  ASP  51           HB1      ASP  51  12.805  -5.149   4.132
  385    H    LEU  52           HN       LEU  52  12.225  -2.809   2.710
  386    HA   LEU  52           HA       LEU  52  12.897  -3.785   0.146
  387    HB2  LEU  52           HB2      LEU  52  10.849  -1.866   1.182
  388    HB3  LEU  52           HB1      LEU  52  11.045  -2.093  -0.527
  389    HG   LEU  52           HG       LEU  52  10.497  -4.488  -0.273
  390   HD11  LEU  52          HD11      LEU  52  11.224  -4.907   1.955
  391   HD12  LEU  52          HD12      LEU  52   9.484  -5.197   1.872
  392   HD13  LEU  52          HD13      LEU  52  10.097  -3.714   2.595
  393   HD21  LEU  52          HD21      LEU  52   8.131  -4.205   0.333
  394   HD22  LEU  52          HD22      LEU  52   8.703  -2.985  -0.813
  395   HD23  LEU  52          HD23      LEU  52   8.497  -2.572   0.892
  396    H    GLY  53           HN       GLY  53  13.768  -1.022   1.903
  397    HA2  GLY  53           HA2      GLY  53  15.735   0.114   1.215
  398    HA3  GLY  53           HA1      GLY  53  15.227  -0.062  -0.452
  399    H    PHE  54           HN       PHE  54  12.638   0.826   1.581
  400    HA   PHE  54           HA       PHE  54  12.536   3.367   0.313
  401    HB2  PHE  54           HB2      PHE  54  10.773   2.077   2.394
  402    HB3  PHE  54           HB1      PHE  54  10.486   3.685   1.735
  403    HD1  PHE  54           HD1      PHE  54   9.715   4.000  -0.495
  404    HD2  PHE  54           HD2      PHE  54  10.614   0.125   0.979
  405    HE1  PHE  54           HE1      PHE  54   8.523   3.016  -2.396
  406    HE2  PHE  54           HE2      PHE  54   9.443  -0.882  -0.909
  407    HZ   PHE  54           HZ       PHE  54   8.550   0.601  -2.741
  408    H    ASP  55           HN       ASP  55  12.160   5.371   1.428
  409    HA   ASP  55           HA       ASP  55  13.460   5.875   3.932
  410    HB2  ASP  55           HB2      ASP  55  15.154   7.434   2.775
  411    HB3  ASP  55           HB1      ASP  55  15.515   5.709   2.785
  412    H    SER  56           HN       SER  56  14.076   8.549   3.589
  413    HA   SER  56           HA       SER  56  11.472   9.730   3.348
  414    HB2  SER  56           HB2      SER  56  12.783  11.866   3.855
  415    HB3  SER  56           HB1      SER  56  12.820  10.606   5.086
  416    HG   SER  56           HG       SER  56  14.866  11.739   3.836
  417    H    LEU  57           HN       LEU  57  12.384   8.568   0.983
  418    HA   LEU  57           HA       LEU  57  12.202  10.788  -0.886
  419    HB2  LEU  57           HB2      LEU  57  14.077   8.462  -1.163
  420    HB3  LEU  57           HB1      LEU  57  13.902   9.781  -2.302
  421    HG   LEU  57           HG       LEU  57  14.870  10.115   0.531
  422   HD11  LEU  57          HD11      LEU  57  16.416   8.686  -0.659
  423   HD12  LEU  57          HD12      LEU  57  17.125  10.287  -0.438
  424   HD13  LEU  57          HD13      LEU  57  16.469   9.819  -2.007
  425   HD21  LEU  57          HD21      LEU  57  14.982  11.930  -1.876
  426   HD22  LEU  57          HD22      LEU  57  15.699  12.269  -0.300
  427   HD23  LEU  57          HD23      LEU  57  13.948  12.126  -0.460
  428    H    THR  58           HN       THR  58  12.655   7.272  -0.898
  429    HA   THR  58           HA       THR  58  10.890   6.852  -3.091
  430    HB   THR  58           HB       THR  58  11.125   4.394  -2.329
  431    HG1  THR  58           HG1      THR  58  13.242   5.535  -0.787
  432   HG21  THR  58          HG21      THR  58  13.543   6.021  -3.103
  433   HG22  THR  58          HG22      THR  58  12.345   5.333  -4.200
  434   HG23  THR  58          HG23      THR  58  13.393   4.270  -3.262
  435    H    ALA  59           HN       ALA  59  10.578   6.349   0.401
  436    HA   ALA  59           HA       ALA  59   8.067   5.168   0.441
  437    HB1  ALA  59           HB1      ALA  59   9.132   7.186   2.426
  438    HB2  ALA  59           HB2      ALA  59   9.538   5.471   2.425
  439    HB3  ALA  59           HB3      ALA  59   7.874   5.984   2.716
  440    H    LEU  60           HN       LEU  60   9.078   8.445  -0.006
  441    HA   LEU  60           HA       LEU  60   6.601   9.711   0.385
  442    HB2  LEU  60           HB2      LEU  60   9.099  10.505  -1.087
  443    HB3  LEU  60           HB1      LEU  60   7.706  11.562  -0.973
  444    HG   LEU  60           HG       LEU  60   9.452  12.124   0.682
  445   HD11  LEU  60          HD11      LEU  60   6.940  11.045   1.919
  446   HD12  LEU  60          HD12      LEU  60   7.108  12.621   1.144
  447   HD13  LEU  60          HD13      LEU  60   8.014  12.255   2.613
  448   HD21  LEU  60          HD21      LEU  60   8.827   9.409   1.829
  449   HD22  LEU  60          HD22      LEU  60   9.793  10.655   2.618
  450   HD23  LEU  60          HD23      LEU  60  10.363   9.914   1.121
  451    H    GLU  61           HN       GLU  61   8.252   8.618  -2.583
  452    HA   GLU  61           HA       GLU  61   6.009   9.384  -4.200
  453    HB2  GLU  61           HB2      GLU  61   7.188   7.884  -5.937
  454    HB3  GLU  61           HB1      GLU  61   7.962   9.389  -5.447
  455    HG2  GLU  61           HG2      GLU  61   9.397   8.130  -3.918
  456    HG3  GLU  61           HG1      GLU  61   8.627   6.636  -4.443
  457    H    LEU  62           HN       LEU  62   7.000   6.464  -2.549
  458    HA   LEU  62           HA       LEU  62   5.065   4.741  -3.723
  459    HB2  LEU  62           HB2      LEU  62   6.831   3.801  -2.395
  460    HB3  LEU  62           HB1      LEU  62   6.319   4.717  -0.993
  461    HG   LEU  62           HG       LEU  62   4.218   3.465  -0.920
  462   HD11  LEU  62          HD11      LEU  62   3.924   2.987  -3.241
  463   HD12  LEU  62          HD12      LEU  62   3.969   1.471  -2.335
  464   HD13  LEU  62          HD13      LEU  62   5.376   1.991  -3.260
  465   HD21  LEU  62          HD21      LEU  62   5.121   1.422  -0.112
  466   HD22  LEU  62          HD22      LEU  62   6.261   2.719   0.264
  467   HD23  LEU  62          HD23      LEU  62   6.580   1.626  -1.082
  468    H    ARG  63           HN       ARG  63   5.054   6.719  -0.805
  469    HA   ARG  63           HA       ARG  63   2.473   6.152   0.103
  470    HB2  ARG  63           HB2      ARG  63   3.896   7.350   1.551
  471    HB3  ARG  63           HB1      ARG  63   4.343   8.503   0.305
  472    HG2  ARG  63           HG2      ARG  63   1.698   8.997   0.482
  473    HG3  ARG  63           HG1      ARG  63   2.058   8.512   2.144
  474    HD2  ARG  63           HD2      ARG  63   2.310  10.941   1.791
  475    HD3  ARG  63           HD1      ARG  63   3.813  10.165   2.286
  476    HE   ARG  63           HE       ARG  63   4.473  10.242  -0.098
  477   HH11  ARG  63          HH11      ARG  63   2.048  12.456   1.101
  478   HH12  ARG  63          HH12      ARG  63   2.279  13.603  -0.178
  479   HH21  ARG  63          HH21      ARG  63   4.785  11.755  -1.787
  480   HH22  ARG  63          HH22      ARG  63   3.832  13.205  -1.821
  481    H    ASP  64           HN       ASP  64   3.801   8.546  -2.082
  482    HA   ASP  64           HA       ASP  64   1.524   9.873  -2.909
  483    HB2  ASP  64           HB2      ASP  64   3.879  10.470  -3.437
  484    HB3  ASP  64           HB1      ASP  64   3.914   9.135  -4.574
  485    H    HIS  65           HN       HIS  65   3.006   6.903  -4.117
  486    HA   HIS  65           HA       HIS  65   1.265   6.406  -6.248
  487    HB2  HIS  65           HB2      HIS  65   2.851   4.558  -4.506
  488    HB3  HIS  65           HB1      HIS  65   1.947   4.009  -5.895
  489    HD1  HIS  65           HD1      HIS  65   2.923   6.677  -7.594
  490    HD2  HIS  65           HD2      HIS  65   5.201   3.817  -5.664
  491    HE1  HIS  65           HE1      HIS  65   5.205   6.767  -8.670
  492    HE2  HIS  65           HE2      HIS  65   6.590   5.128  -7.399
  493    H    LEU  66           HN       LEU  66   1.068   5.484  -2.808
  494    HA   LEU  66           HA       LEU  66  -1.142   3.746  -3.139
  495    HB2  LEU  66           HB2      LEU  66   0.082   5.175  -0.829
  496    HB3  LEU  66           HB1      LEU  66  -1.438   4.339  -0.619
  497    HG   LEU  66           HG       LEU  66  -0.484   2.256  -0.755
  498   HD11  LEU  66          HD11      LEU  66   0.473   2.493  -2.981
  499   HD12  LEU  66          HD12      LEU  66   1.618   1.729  -1.881
  500   HD13  LEU  66          HD13      LEU  66   1.812   3.427  -2.315
  501   HD21  LEU  66          HD21      LEU  66   1.763   4.025   0.168
  502   HD22  LEU  66          HD22      LEU  66   1.659   2.286   0.450
  503   HD23  LEU  66          HD23      LEU  66   0.459   3.367   1.157
  504    H    GLN  67           HN       GLN  67  -0.892   7.164  -2.381
  505    HA   GLN  67           HA       GLN  67  -3.674   7.548  -1.845
  506    HB2  GLN  67           HB2      GLN  67  -1.829   9.696  -2.824
  507    HB3  GLN  67           HB1      GLN  67  -3.182   9.841  -1.713
  508    HG2  GLN  67           HG2      GLN  67  -1.998   8.951   0.048
  509    HG3  GLN  67           HG1      GLN  67  -0.852   8.154  -1.031
  510   HE21  GLN  67          HE21      GLN  67  -0.331  10.411  -2.669
  511   HE22  GLN  67          HE22      GLN  67   0.622  11.507  -1.745
  512    H    THR  68           HN       THR  68  -1.623   7.784  -4.672
  513    HA   THR  68           HA       THR  68  -3.582   8.787  -6.424
  514    HB   THR  68           HB       THR  68  -0.889   7.574  -6.551
  515    HG1  THR  68           HG1      THR  68  -1.411   9.888  -6.393
  516   HG21  THR  68          HG21      THR  68  -2.605   7.857  -9.017
  517   HG22  THR  68          HG22      THR  68  -2.016   6.347  -8.319
  518   HG23  THR  68          HG23      THR  68  -0.875   7.507  -8.996
  519    H    ALA  69           HN       ALA  69  -2.299   5.625  -5.730
  520    HA   ALA  69           HA       ALA  69  -3.857   4.047  -7.367
  521    HB1  ALA  69           HB1      ALA  69  -1.896   3.262  -6.206
  522    HB2  ALA  69           HB2      ALA  69  -3.284   2.233  -5.839
  523    HB3  ALA  69           HB3      ALA  69  -2.728   3.426  -4.662
  524    H    THR  70           HN       THR  70  -4.471   4.986  -3.986
  525    HA   THR  70           HA       THR  70  -6.987   3.518  -4.052
  526    HB   THR  70           HB       THR  70  -7.125   3.978  -1.662
  527    HG1  THR  70           HG1      THR  70  -4.631   5.315  -1.781
  528   HG21  THR  70          HG21      THR  70  -5.681   2.132  -2.468
  529   HG22  THR  70          HG22      THR  70  -5.137   2.814  -0.936
  530   HG23  THR  70          HG23      THR  70  -4.306   3.240  -2.433
  531    H    GLY  71           HN       GLY  71  -5.794   6.774  -3.929
  532    HA2  GLY  71           HA2      GLY  71  -6.953   8.715  -4.540
  533    HA3  GLY  71           HA1      GLY  71  -8.464   7.816  -4.450
  534    H    LEU  72           HN       LEU  72  -6.544   7.193  -1.812
  535    HA   LEU  72           HA       LEU  72  -8.255   8.843  -0.104
  536    HB2  LEU  72           HB2      LEU  72  -6.629   6.349   0.325
  537    HB3  LEU  72           HB1      LEU  72  -7.207   7.290   1.681
  538    HG   LEU  72           HG       LEU  72  -8.621   5.321   1.170
  539   HD11  LEU  72          HD11      LEU  72 -10.033   7.946   0.762
  540   HD12  LEU  72          HD12      LEU  72  -9.558   7.260   2.317
  541   HD13  LEU  72          HD13      LEU  72 -10.756   6.435   1.321
  542   HD21  LEU  72          HD21      LEU  72 -10.075   5.302  -0.759
  543   HD22  LEU  72          HD22      LEU  72  -8.387   5.308  -1.263
  544   HD23  LEU  72          HD23      LEU  72  -9.338   6.788  -1.355
  545    H    ASN  73           HN       ASN  73  -6.666   8.929   2.171
  546    HA   ASN  73           HA       ASN  73  -4.527  10.732   1.261
  547    HB2  ASN  73           HB2      ASN  73  -6.550  11.937   2.056
  548    HB3  ASN  73           HB1      ASN  73  -6.364  11.163   3.623
  549   HD21  ASN  73          HD21      ASN  73  -5.014  13.486   1.399
  550   HD22  ASN  73          HD22      ASN  73  -4.004  14.292   2.549
  551    H    LEU  74           HN       LEU  74  -2.827   9.405   1.646
  552    HA   LEU  74           HA       LEU  74  -2.550   8.183   4.267
  553    HB2  LEU  74           HB2      LEU  74  -0.935   7.866   1.738
  554    HB3  LEU  74           HB1      LEU  74  -0.596   7.031   3.251
  555    HG   LEU  74           HG       LEU  74  -3.072   6.196   2.994
  556   HD11  LEU  74          HD11      LEU  74  -3.789   5.875   0.708
  557   HD12  LEU  74          HD12      LEU  74  -2.347   6.702   0.109
  558   HD13  LEU  74          HD13      LEU  74  -3.566   7.598   1.014
  559   HD21  LEU  74          HD21      LEU  74  -1.253   4.698   3.072
  560   HD22  LEU  74          HD22      LEU  74  -0.692   5.190   1.475
  561   HD23  LEU  74          HD23      LEU  74  -2.195   4.288   1.640
  562    H    SER  75           HN       SER  75   0.472   8.270   4.195
  563    HA   SER  75           HA       SER  75   0.781  11.099   4.853
  564    HB2  SER  75           HB2      SER  75  -0.289   9.994   6.827
  565    HB3  SER  75           HB1      SER  75   1.140   8.976   6.972
  566    HG   SER  75           HG       SER  75   1.141  10.880   8.323
  567    H    SER  76           HN       SER  76   3.044  11.519   5.806
  568    HA   SER  76           HA       SER  76   4.832  10.902   3.765
  569    HB2  SER  76           HB2      SER  76   5.531  11.870   6.538
  570    HB3  SER  76           HB1      SER  76   6.481  12.092   5.068
  571    HG   SER  76           HG       SER  76   5.014  13.872   5.840
  572    H    THR  77           HN       THR  77   4.705   9.576   7.056
  573    HA   THR  77           HA       THR  77   6.881   7.722   6.355
  574    HB   THR  77           HB       THR  77   6.995   7.337   8.854
  575    HG1  THR  77           HG1      THR  77   5.881   8.690  10.186
  576   HG21  THR  77          HG21      THR  77   8.221   9.418   9.283
  577   HG22  THR  77          HG22      THR  77   7.485  10.140   7.851
  578   HG23  THR  77          HG23      THR  77   8.584   8.773   7.683
  579    H    LEU  78           HN       LEU  78   4.275   7.493   5.459
  580    HA   LEU  78           HA       LEU  78   2.412   5.991   6.757
  581    HB2  LEU  78           HB2      LEU  78   2.261   7.058   4.542
  582    HB3  LEU  78           HB1      LEU  78   3.301   5.822   3.896
  583    HG   LEU  78           HG       LEU  78   0.685   5.783   3.600
  584   HD11  LEU  78          HD11      LEU  78   2.092   4.253   2.493
  585   HD12  LEU  78          HD12      LEU  78   0.850   3.318   3.338
  586   HD13  LEU  78          HD13      LEU  78   2.479   3.420   4.007
  587   HD21  LEU  78          HD21      LEU  78   1.180   4.624   6.299
  588   HD22  LEU  78          HD22      LEU  78  -0.114   3.990   5.278
  589   HD23  LEU  78          HD23      LEU  78  -0.113   5.691   5.741
  590    H    ILE  79           HN       ILE  79   4.908   4.652   4.622
  591    HA   ILE  79           HA       ILE  79   4.374   1.945   5.420
  592    HB   ILE  79           HB       ILE  79   6.149   1.363   3.908
  593   HG12  ILE  79          HG12      ILE  79   6.811   4.296   3.992
  594   HG13  ILE  79          HG11      ILE  79   7.857   2.941   4.411
  595   HG21  ILE  79          HG21      ILE  79   4.073   1.932   2.850
  596   HG22  ILE  79          HG22      ILE  79   5.413   2.539   1.875
  597   HG23  ILE  79          HG23      ILE  79   4.484   3.651   2.884
  598   HD11  ILE  79          HD11      ILE  79   8.562   3.723   2.316
  599   HD12  ILE  79          HD12      ILE  79   6.909   3.808   1.714
  600   HD13  ILE  79          HD13      ILE  79   7.666   2.237   2.001
  601    H    PHE  80           HN       PHE  80   5.805   4.223   7.158
  602    HA   PHE  80           HA       PHE  80   7.639   2.292   8.392
  603    HB2  PHE  80           HB2      PHE  80   7.782   5.313   8.396
  604    HB3  PHE  80           HB1      PHE  80   8.853   4.258   9.315
  605    HD1  PHE  80           HD1      PHE  80   9.051   6.295   6.726
  606    HD2  PHE  80           HD2      PHE  80   9.463   2.129   7.468
  607    HE1  PHE  80           HE1      PHE  80  10.490   6.085   4.743
  608    HE2  PHE  80           HE2      PHE  80  10.899   1.895   5.485
  609    HZ   PHE  80           HZ       PHE  80  11.423   3.889   4.123
  610    H    ASP  81           HN       ASP  81   4.835   4.084   8.567
  611    HA   ASP  81           HA       ASP  81   4.455   3.885  11.417
  612    HB2  ASP  81           HB2      ASP  81   3.328   5.538   9.641
  613    HB3  ASP  81           HB1      ASP  81   2.218   4.194   9.493
  614    H    HIS  82           HN       HIS  82   3.586   2.369   8.443
  615    HA   HIS  82           HA       HIS  82   2.654  -0.026   9.845
  616    HB2  HIS  82           HB2      HIS  82   1.811   0.910   7.091
  617    HB3  HIS  82           HB1      HIS  82   1.099  -0.382   8.044
  618    HD1  HIS  82           HD1      HIS  82  -0.389   0.319  10.079
  619    HD2  HIS  82           HD2      HIS  82   0.984   3.476   7.740
  620    HE1  HIS  82           HE1      HIS  82  -1.659   2.339  10.860
  621    HE2  HIS  82           HE2      HIS  82  -0.622   4.263   9.617
  622    HA   PRO  83           HA       PRO  83   6.628  -1.000   8.427
  623    HB2  PRO  83           HB2      PRO  83   6.618  -3.674   9.047
  624    HB3  PRO  83           HB1      PRO  83   6.831  -2.384  10.234
  625    HG2  PRO  83           HG2      PRO  83   4.336  -3.894   9.508
  626    HG3  PRO  83           HG1      PRO  83   4.953  -3.450  11.117
  627    HD2  PRO  83           HD2      PRO  83   3.002  -2.036   9.946
  628    HD3  PRO  83           HD1      PRO  83   4.256  -1.243  10.907
  629    H    THR  84           HN       THR  84   4.040  -3.197   7.350
  630    HA   THR  84           HA       THR  84   5.720  -3.830   5.042
  631    HB   THR  84           HB       THR  84   4.657  -6.032   5.002
  632    HG1  THR  84           HG1      THR  84   3.559  -6.401   7.263
  633   HG21  THR  84          HG21      THR  84   5.860  -5.338   7.688
  634   HG22  THR  84          HG22      THR  84   6.757  -5.770   6.232
  635   HG23  THR  84          HG23      THR  84   5.720  -6.964   7.016
  636    HA   PRO  85           HA       PRO  85   2.447  -2.621   2.304
  637    HB2  PRO  85           HB2      PRO  85   2.769  -5.253   0.986
  638    HB3  PRO  85           HB1      PRO  85   2.908  -3.638   0.293
  639    HG2  PRO  85           HG2      PRO  85   5.060  -5.183   0.728
  640    HG3  PRO  85           HG1      PRO  85   5.114  -3.419   0.893
  641    HD2  PRO  85           HD2      PRO  85   5.037  -5.511   3.001
  642    HD3  PRO  85           HD1      PRO  85   5.838  -3.935   3.006
  643    H    HIS  86           HN       HIS  86   2.567  -5.502   4.063
  644    HA   HIS  86           HA       HIS  86  -0.160  -6.323   3.699
  645    HB2  HIS  86           HB2      HIS  86   1.150  -8.071   4.445
  646    HB3  HIS  86           HB1      HIS  86   2.128  -7.047   5.467
  647    HD1  HIS  86           HD1      HIS  86  -0.626  -9.437   5.582
  648    HD2  HIS  86           HD2      HIS  86   0.803  -6.337   7.963
  649    HE1  HIS  86           HE1      HIS  86  -1.629  -9.818   7.854
  650    HE2  HIS  86           HE2      HIS  86  -0.915  -7.821   9.212
  651    H    ALA  87           HN       ALA  87   1.677  -4.552   6.123
  652    HA   ALA  87           HA       ALA  87  -0.536  -4.033   7.849
  653    HB1  ALA  87           HB1      ALA  87   2.120  -2.609   7.703
  654    HB2  ALA  87           HB2      ALA  87   1.825  -4.094   8.613
  655    HB3  ALA  87           HB3      ALA  87   0.995  -2.605   9.063
  656    H    VAL  88           HN       VAL  88   0.785  -2.642   5.082
  657    HA   VAL  88           HA       VAL  88  -0.364  -0.017   5.482
  658    HB   VAL  88           HB       VAL  88   1.121  -1.289   3.205
  659   HG11  VAL  88          HG11      VAL  88   0.045   1.504   3.423
  660   HG12  VAL  88          HG12      VAL  88  -0.422   0.268   2.255
  661   HG13  VAL  88          HG13      VAL  88   1.198   0.966   2.201
  662   HG21  VAL  88          HG21      VAL  88   2.507  -0.804   5.118
  663   HG22  VAL  88          HG22      VAL  88   1.899   0.854   5.172
  664   HG23  VAL  88          HG23      VAL  88   2.885   0.319   3.810
  665    H    ALA  89           HN       ALA  89  -0.858  -2.817   3.387
  666    HA   ALA  89           HA       ALA  89  -2.989  -1.743   1.928
  667    HB1  ALA  89           HB1      ALA  89  -2.391  -4.613   2.616
  668    HB2  ALA  89           HB2      ALA  89  -1.906  -3.731   1.165
  669    HB3  ALA  89           HB3      ALA  89  -3.606  -4.090   1.449
  670    H    GLU  90           HN       GLU  90  -2.967  -3.518   5.049
  671    HA   GLU  90           HA       GLU  90  -5.831  -3.473   5.206
  672    HB2  GLU  90           HB2      GLU  90  -5.421  -4.092   7.611
  673    HB3  GLU  90           HB1      GLU  90  -4.719  -5.183   6.422
  674    HG2  GLU  90           HG2      GLU  90  -2.553  -4.148   6.727
  675    HG3  GLU  90           HG1      GLU  90  -3.236  -3.034   7.907
  676    H    HIS  91           HN       HIS  91  -3.243  -1.357   6.048
  677    HA   HIS  91           HA       HIS  91  -4.698   0.471   7.604
  678    HB2  HIS  91           HB2      HIS  91  -2.360   0.688   7.712
  679    HB3  HIS  91           HB1      HIS  91  -2.189   0.682   5.956
  680    HD1  HIS  91           HD1      HIS  91  -3.518   2.932   8.727
  681    HD2  HIS  91           HD2      HIS  91  -2.102   3.118   4.826
  682    HE1  HIS  91           HE1      HIS  91  -3.367   5.382   8.184
  683    HE2  HIS  91           HE2      HIS  91  -2.339   5.478   5.890
  684    H    LEU  92           HN       LEU  92  -4.567  -0.167   4.214
  685    HA   LEU  92           HA       LEU  92  -5.710   2.320   3.422
  686    HB2  LEU  92           HB2      LEU  92  -4.974  -0.225   2.083
  687    HB3  LEU  92           HB1      LEU  92  -6.205   0.768   1.307
  688    HG   LEU  92           HG       LEU  92  -4.732   2.534   0.923
  689   HD11  LEU  92          HD11      LEU  92  -3.742   2.972   2.992
  690   HD12  LEU  92          HD12      LEU  92  -2.390   2.497   1.959
  691   HD13  LEU  92          HD13      LEU  92  -3.063   1.347   3.108
  692   HD21  LEU  92          HD21      LEU  92  -2.759   1.560  -0.121
  693   HD22  LEU  92          HD22      LEU  92  -4.210   0.624  -0.481
  694   HD23  LEU  92          HD23      LEU  92  -3.062   0.043   0.726
  695    H    LEU  93           HN       LEU  93  -6.908  -0.457   4.853
  696    HA   LEU  93           HA       LEU  93  -9.615  -0.321   3.866
  697    HB2  LEU  93           HB2      LEU  93  -8.360  -1.721   6.202
  698    HB3  LEU  93           HB1      LEU  93 -10.089  -1.729   5.943
  699    HG   LEU  93           HG       LEU  93  -9.932  -3.117   4.075
  700   HD11  LEU  93          HD11      LEU  93  -6.996  -2.434   3.958
  701   HD12  LEU  93          HD12      LEU  93  -8.246  -1.937   2.815
  702   HD13  LEU  93          HD13      LEU  93  -7.797  -3.639   2.942
  703   HD21  LEU  93          HD21      LEU  93  -9.388  -4.228   6.190
  704   HD22  LEU  93          HD22      LEU  93  -7.673  -3.934   5.890
  705   HD23  LEU  93          HD23      LEU  93  -8.592  -4.992   4.815
  706    H    GLU  94           HN       GLU  94  -7.713   0.935   6.404
  707    HA   GLU  94           HA       GLU  94  -9.628   1.955   8.157
  708    HB2  GLU  94           HB2      GLU  94  -6.861   2.830   7.366
  709    HB3  GLU  94           HB1      GLU  94  -7.753   3.609   8.678
  710    HG2  GLU  94           HG2      GLU  94  -7.064   0.682   8.556
  711    HG3  GLU  94           HG1      GLU  94  -6.126   1.898   9.419
  712    H    GLN  95           HN       GLN  95  -8.471   3.036   5.073
  713    HA   GLN  95           HA       GLN  95  -9.474   5.719   5.300
  714    HB2  GLN  95           HB2      GLN  95  -8.616   4.331   2.782
  715    HB3  GLN  95           HB1      GLN  95  -8.422   6.022   3.225
  716    HG2  GLN  95           HG2      GLN  95  -6.989   3.757   4.575
  717    HG3  GLN  95           HG1      GLN  95  -6.323   4.683   3.243
  718   HE21  GLN  95          HE21      GLN  95  -5.492   4.338   6.028
  719   HE22  GLN  95          HE22      GLN  95  -5.350   5.936   6.675
  720    H    ILE  96           HN       ILE  96 -10.622   2.659   4.362
  721    HA   ILE  96           HA       ILE  96 -12.338   3.422   2.240
  722    HB   ILE  96           HB       ILE  96 -12.205   0.900   3.868
  723   HG12  ILE  96          HG12      ILE  96 -10.102   1.631   2.838
  724   HG13  ILE  96          HG11      ILE  96 -10.688   0.129   2.165
  725   HG21  ILE  96          HG21      ILE  96 -14.279   1.163   2.503
  726   HG22  ILE  96          HG22      ILE  96 -13.283  -0.231   2.091
  727   HG23  ILE  96          HG23      ILE  96 -13.245   1.208   1.075
  728   HD11  ILE  96          HD11      ILE  96 -11.125   2.812   0.883
  729   HD12  ILE  96          HD12      ILE  96 -11.395   1.219   0.170
  730   HD13  ILE  96          HD13      ILE  96  -9.750   1.765   0.519
  731    HA   PRO  97           HA       PRO  97 -15.748   4.943   4.426
  732    HB2  PRO  97           HB2      PRO  97 -17.573   4.895   2.480
  733    HB3  PRO  97           HB1      PRO  97 -16.131   5.913   2.369
  734    HG2  PRO  97           HG2      PRO  97 -16.592   3.194   1.198
  735    HG3  PRO  97           HG1      PRO  97 -15.995   4.648   0.392
  736    HD2  PRO  97           HD2      PRO  97 -14.336   2.739   1.289
  737    HD3  PRO  97           HD1      PRO  97 -13.903   4.447   1.324
  738    H    GLY  98           HN       GLY  98 -15.897   2.994   5.895
  739    HA2  GLY  98           HA2      GLY  98 -17.506   1.832   7.088
  740    HA3  GLY  98           HA1      GLY  98 -18.631   2.097   5.769
  741    H    ILE  99           HN       ILE  99 -17.631   0.865   3.668
  742    HA   ILE  99           HA       ILE  99 -18.185  -1.827   3.992
  743    HB   ILE  99           HB       ILE  99 -16.587  -1.961   1.834
  744   HG12  ILE  99          HG12      ILE  99 -17.587   0.836   1.564
  745   HG13  ILE  99          HG11      ILE  99 -16.091   0.565   2.447
  746   HG21  ILE  99          HG21      ILE  99 -18.954  -2.477   1.870
  747   HG22  ILE  99          HG22      ILE  99 -18.562  -1.466   0.480
  748   HG23  ILE  99          HG23      ILE  99 -19.347  -0.757   1.891
  749   HD11  ILE  99          HD11      ILE  99 -15.605   1.105   0.169
  750   HD12  ILE  99          HD12      ILE  99 -16.655  -0.197  -0.405
  751   HD13  ILE  99          HD13      ILE  99 -15.172  -0.581   0.478
  752    H    GLY 100           HN       GLY 100 -15.064  -0.192   4.138
  753    HA2  GLY 100           HA2      GLY 100 -13.732  -2.779   4.467
  754    HA3  GLY 100           HA1      GLY 100 -12.949  -1.260   4.042
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  -3.261  12.367  -4.459
    2    H2   GLY   1           HT2      GLY   1  -3.987  13.449  -3.383
    3    H3   GLY   1           HT3      GLY   1  -4.678  13.176  -4.901
    4    HA2  GLY   1           HA1      GLY   1  -5.134  10.876  -4.305
    5    HA3  GLY   1           HA2      GLY   1  -4.439  11.182  -2.721
    6    H    SER   2           HN       SER   2  -7.067  12.042  -4.899
    7    HA   SER   2           HA       SER   2  -8.839  12.317  -2.621
    8    HB2  SER   2           HB2      SER   2  -8.416  14.581  -4.588
    9    HB3  SER   2           HB1      SER   2  -9.693  14.522  -3.374
   10    HG   SER   2           HG       SER   2  -7.507  14.052  -2.055
   11    H    THR   3           HN       THR   3  -9.646  10.386  -3.557
   12    HA   THR   3           HA       THR   3 -11.721  10.876  -5.506
   13    HB   THR   3           HB       THR   3  -9.351   9.143  -6.126
   14    HG1  THR   3           HG1      THR   3 -10.049  11.454  -6.958
   15   HG21  THR   3          HG21      THR   3 -12.103   8.841  -7.326
   16   HG22  THR   3          HG22      THR   3 -11.266   7.660  -6.311
   17   HG23  THR   3          HG23      THR   3 -10.635   8.058  -7.915
   18    H    ALA   4           HN       ALA   4  -9.922   8.179  -4.091
   19    HA   ALA   4           HA       ALA   4 -10.476   6.374  -2.897
   20    HB1  ALA   4           HB1      ALA   4 -13.073   7.782  -2.299
   21    HB2  ALA   4           HB2      ALA   4 -11.584   7.946  -1.369
   22    HB3  ALA   4           HB3      ALA   4 -12.414   6.392  -1.436
   23    H    THR   5           HN       THR   5 -13.466   7.389  -4.533
   24    HA   THR   5           HA       THR   5 -14.775   5.080  -4.965
   25    HB   THR   5           HB       THR   5 -14.363   7.075  -7.181
   26    HG1  THR   5           HG1      THR   5 -15.193   8.509  -5.874
   27   HG21  THR   5          HG21      THR   5 -16.708   6.560  -7.685
   28   HG22  THR   5          HG22      THR   5 -16.736   5.396  -6.363
   29   HG23  THR   5          HG23      THR   5 -15.702   5.115  -7.764
   30    H    LEU   6           HN       LEU   6 -11.885   6.020  -6.662
   31    HA   LEU   6           HA       LEU   6 -11.809   4.204  -8.733
   32    HB2  LEU   6           HB2      LEU   6 -10.172   5.894  -8.654
   33    HB3  LEU   6           HB1      LEU   6  -9.719   5.486  -7.012
   34    HG   LEU   6           HG       LEU   6  -8.634   3.438  -7.807
   35   HD11  LEU   6          HD11      LEU   6  -8.320   3.078 -10.211
   36   HD12  LEU   6          HD12      LEU   6  -9.392   4.436 -10.553
   37   HD13  LEU   6          HD13      LEU   6 -10.021   2.994  -9.755
   38   HD21  LEU   6          HD21      LEU   6  -7.747   5.895  -9.315
   39   HD22  LEU   6          HD22      LEU   6  -6.748   4.509  -8.879
   40   HD23  LEU   6          HD23      LEU   6  -7.399   5.562  -7.619
   41    H    LEU   7           HN       LEU   7 -10.256   3.832  -5.563
   42    HA   LEU   7           HA       LEU   7  -9.980   0.983  -6.011
   43    HB2  LEU   7           HB2      LEU   7  -8.574   2.925  -4.558
   44    HB3  LEU   7           HB1      LEU   7  -9.282   1.854  -3.362
   45    HG   LEU   7           HG       LEU   7  -7.001   1.164  -4.014
   46   HD11  LEU   7          HD11      LEU   7  -7.537  -1.165  -4.195
   47   HD12  LEU   7          HD12      LEU   7  -9.130  -0.792  -4.866
   48   HD13  LEU   7          HD13      LEU   7  -8.764  -0.386  -3.189
   49   HD21  LEU   7          HD21      LEU   7  -7.202   1.892  -6.400
   50   HD22  LEU   7          HD22      LEU   7  -8.239   0.494  -6.684
   51   HD23  LEU   7          HD23      LEU   7  -6.562   0.261  -6.193
   52    H    THR   8           HN       THR   8 -11.862   3.198  -4.144
   53    HA   THR   8           HA       THR   8 -12.884   1.516  -2.169
   54    HB   THR   8           HB       THR   8 -13.983   3.945  -3.531
   55    HG1  THR   8           HG1      THR   8 -12.185   3.593  -1.696
   56   HG21  THR   8          HG21      THR   8 -15.905   2.612  -2.751
   57   HG22  THR   8          HG22      THR   8 -15.715   4.099  -1.823
   58   HG23  THR   8          HG23      THR   8 -15.196   2.561  -1.138
   59    H    SER   9           HN       SER   9 -13.866   1.966  -5.514
   60    HA   SER   9           HA       SER   9 -16.224   0.403  -5.387
   61    HB2  SER   9           HB2      SER   9 -16.010   1.885  -7.221
   62    HB3  SER   9           HB1      SER   9 -14.419   1.265  -7.648
   63    HG   SER   9           HG       SER   9 -15.978  -0.810  -7.786
   64    H    LYS  10           HN       LYS  10 -12.857  -0.369  -5.559
   65    HA   LYS  10           HA       LYS  10 -13.120  -3.091  -6.329
   66    HB2  LYS  10           HB2      LYS  10 -10.963  -1.802  -6.402
   67    HB3  LYS  10           HB1      LYS  10 -10.966  -1.806  -4.639
   68    HG2  LYS  10           HG2      LYS  10  -9.486  -3.499  -5.352
   69    HG3  LYS  10           HG1      LYS  10 -10.924  -4.286  -4.713
   70    HD2  LYS  10           HD2      LYS  10 -10.727  -3.733  -7.634
   71    HD3  LYS  10           HD1      LYS  10  -9.844  -5.104  -6.956
   72    HE2  LYS  10           HE2      LYS  10 -12.191  -5.641  -5.872
   73    HE3  LYS  10           HE1      LYS  10 -12.780  -4.652  -7.202
   74    HZ1  LYS  10           HZ1      LYS  10 -11.648  -6.102  -8.757
   75    HZ2  LYS  10           HZ2      LYS  10 -12.737  -6.976  -7.806
   76    HZ3  LYS  10           HZ3      LYS  10 -11.081  -7.065  -7.488
   77    H    LEU  11           HN       LEU  11 -12.508  -1.530  -3.210
   78    HA   LEU  11           HA       LEU  11 -12.548  -3.878  -1.687
   79    HB2  LEU  11           HB2      LEU  11 -13.207  -1.087  -0.766
   80    HB3  LEU  11           HB1      LEU  11 -12.842  -2.439   0.280
   81    HG   LEU  11           HG       LEU  11 -10.805  -1.433   0.277
   82   HD11  LEU  11          HD11      LEU  11 -10.603  -2.937  -2.321
   83   HD12  LEU  11          HD12      LEU  11 -10.582  -3.688  -0.719
   84   HD13  LEU  11          HD13      LEU  11  -9.292  -2.576  -1.190
   85   HD21  LEU  11          HD21      LEU  11  -9.926  -0.013  -1.381
   86   HD22  LEU  11          HD22      LEU  11 -11.649   0.363  -1.303
   87   HD23  LEU  11          HD23      LEU  11 -11.022  -0.642  -2.613
   88    H    ALA  12           HN       ALA  12 -15.112  -1.864  -2.814
   89    HA   ALA  12           HA       ALA  12 -17.223  -2.672  -1.202
   90    HB1  ALA  12           HB1      ALA  12 -17.238  -2.080  -4.162
   91    HB2  ALA  12           HB2      ALA  12 -17.380  -0.890  -2.867
   92    HB3  ALA  12           HB3      ALA  12 -18.653  -2.088  -3.107
   93    H    GLY  13           HN       GLY  13 -15.566  -4.353  -3.768
   94    HA2  GLY  13           HA2      GLY  13 -17.560  -6.472  -3.884
   95    HA3  GLY  13           HA1      GLY  13 -16.111  -6.338  -4.870
   96    H    LEU  14           HN       LEU  14 -14.900  -5.790  -1.944
   97    HA   LEU  14           HA       LEU  14 -14.262  -8.620  -1.520
   98    HB2  LEU  14           HB2      LEU  14 -12.808  -6.122  -0.774
   99    HB3  LEU  14           HB1      LEU  14 -12.353  -7.677  -0.184
  100    HG   LEU  14           HG       LEU  14 -10.920  -7.620  -1.882
  101   HD11  LEU  14          HD11      LEU  14 -11.747  -8.666  -3.909
  102   HD12  LEU  14          HD12      LEU  14 -13.405  -8.300  -3.425
  103   HD13  LEU  14          HD13      LEU  14 -12.430  -9.419  -2.464
  104   HD21  LEU  14          HD21      LEU  14 -11.231  -6.230  -3.886
  105   HD22  LEU  14          HD22      LEU  14 -11.341  -5.333  -2.368
  106   HD23  LEU  14          HD23      LEU  14 -12.808  -5.744  -3.260
  107    H    THR  15           HN       THR  15 -13.694  -9.176   0.658
  108    HA   THR  15           HA       THR  15 -15.278  -7.831   2.722
  109    HB   THR  15           HB       THR  15 -14.894  -9.798   4.068
  110    HG1  THR  15           HG1      THR  15 -13.414 -11.384   3.465
  111   HG21  THR  15          HG21      THR  15 -15.389 -10.610   1.198
  112   HG22  THR  15          HG22      THR  15 -16.610 -10.080   2.360
  113   HG23  THR  15          HG23      THR  15 -15.755 -11.603   2.613
  114    H    ALA  16           HN       ALA  16 -13.946  -7.542   4.841
  115    HA   ALA  16           HA       ALA  16 -11.918  -5.746   4.465
  116    HB1  ALA  16           HB1      ALA  16 -11.231  -6.176   6.780
  117    HB2  ALA  16           HB2      ALA  16 -12.178  -7.663   6.786
  118    HB3  ALA  16           HB3      ALA  16 -12.985  -6.104   6.627
  119    H    THR  17           HN       THR  17 -11.559  -9.243   4.891
  120    HA   THR  17           HA       THR  17  -8.765  -9.329   4.904
  121    HB   THR  17           HB       THR  17 -10.775 -11.426   4.085
  122    HG1  THR  17           HG1      THR  17 -11.028 -10.955   6.233
  123   HG21  THR  17          HG21      THR  17  -7.849 -11.733   4.752
  124   HG22  THR  17          HG22      THR  17  -8.569 -11.932   3.156
  125   HG23  THR  17          HG23      THR  17  -8.984 -13.049   4.456
  126    H    GLU  18           HN       GLU  18 -11.052  -9.684   2.172
  127    HA   GLU  18           HA       GLU  18  -8.983 -10.118   0.302
  128    HB2  GLU  18           HB2      GLU  18 -11.864  -9.350  -0.049
  129    HB3  GLU  18           HB1      GLU  18 -10.787  -9.829  -1.342
  130    HG2  GLU  18           HG2      GLU  18 -10.513 -12.011  -0.277
  131    HG3  GLU  18           HG1      GLU  18 -11.633 -11.509   0.984
  132    H    GLN  19           HN       GLN  19 -10.688  -7.337   1.529
  133    HA   GLN  19           HA       GLN  19  -9.751  -5.409  -0.281
  134    HB2  GLN  19           HB2      GLN  19 -10.355  -5.170   2.663
  135    HB3  GLN  19           HB1      GLN  19 -10.196  -3.820   1.559
  136    HG2  GLN  19           HG2      GLN  19 -12.099  -4.550   0.327
  137    HG3  GLN  19           HG1      GLN  19 -12.218  -6.003   1.287
  138   HE21  GLN  19          HE21      GLN  19 -14.240  -4.108   0.868
  139   HE22  GLN  19          HE22      GLN  19 -14.651  -3.439   2.415
  140    H    ARG  20           HN       ARG  20  -8.384  -6.754   2.689
  141    HA   ARG  20           HA       ARG  20  -5.948  -5.352   2.721
  142    HB2  ARG  20           HB2      ARG  20  -5.985  -8.309   3.253
  143    HB3  ARG  20           HB1      ARG  20  -5.069  -7.053   4.072
  144    HG2  ARG  20           HG2      ARG  20  -7.075  -6.274   5.152
  145    HG3  ARG  20           HG1      ARG  20  -8.040  -7.474   4.286
  146    HD2  ARG  20           HD2      ARG  20  -7.642  -8.317   6.476
  147    HD3  ARG  20           HD1      ARG  20  -6.629  -9.228   5.364
  148    HE   ARG  20           HE       ARG  20  -5.350  -6.979   6.664
  149   HH11  ARG  20          HH11      ARG  20  -5.941 -10.421   6.633
  150   HH12  ARG  20          HH12      ARG  20  -4.674 -10.781   7.758
  151   HH21  ARG  20          HH21      ARG  20  -3.655  -7.441   8.156
  152   HH22  ARG  20          HH22      ARG  20  -3.389  -9.094   8.631
  153    H    ALA  21           HN       ALA  21  -6.913  -8.300   1.089
  154    HA   ALA  21           HA       ALA  21  -4.424  -9.028   0.049
  155    HB1  ALA  21           HB1      ALA  21  -6.318 -10.557   0.240
  156    HB2  ALA  21           HB2      ALA  21  -5.663 -10.540  -1.398
  157    HB3  ALA  21           HB3      ALA  21  -7.156  -9.674  -1.036
  158    H    VAL  22           HN       VAL  22  -7.003  -7.117  -1.416
  159    HA   VAL  22           HA       VAL  22  -5.881  -7.141  -4.000
  160    HB   VAL  22           HB       VAL  22  -7.444  -5.225  -4.469
  161   HG11  VAL  22          HG11      VAL  22  -8.027  -7.634  -4.718
  162   HG12  VAL  22          HG12      VAL  22  -9.408  -6.597  -4.370
  163   HG13  VAL  22          HG13      VAL  22  -8.708  -7.590  -3.090
  164   HG21  VAL  22          HG21      VAL  22  -8.198  -5.673  -1.578
  165   HG22  VAL  22          HG22      VAL  22  -9.117  -4.706  -2.732
  166   HG23  VAL  22          HG23      VAL  22  -7.492  -4.208  -2.264
  167    H    THR  23           HN       THR  23  -5.603  -4.665  -1.405
  168    HA   THR  23           HA       THR  23  -3.648  -3.411  -3.139
  169    HB   THR  23           HB       THR  23  -4.905  -1.774  -2.194
  170    HG1  THR  23           HG1      THR  23  -3.075  -1.181  -0.377
  171   HG21  THR  23          HG21      THR  23  -5.369  -1.459   0.147
  172   HG22  THR  23          HG22      THR  23  -4.358  -2.842   0.547
  173   HG23  THR  23          HG23      THR  23  -5.866  -3.085  -0.330
  174    H    ARG  24           HN       ARG  24  -3.618  -5.660  -0.545
  175    HA   ARG  24           HA       ARG  24  -0.874  -5.381   0.111
  176    HB2  ARG  24           HB2      ARG  24  -2.334  -6.930   1.319
  177    HB3  ARG  24           HB1      ARG  24  -2.584  -7.868  -0.141
  178    HG2  ARG  24           HG2      ARG  24   0.092  -7.981   0.029
  179    HG3  ARG  24           HG1      ARG  24  -0.326  -7.851   1.741
  180    HD2  ARG  24           HD2      ARG  24  -1.884  -9.725   1.475
  181    HD3  ARG  24           HD1      ARG  24  -1.407  -9.866  -0.213
  182    HE   ARG  24           HE       ARG  24   0.886 -10.044   1.381
  183   HH11  ARG  24          HH11      ARG  24  -2.025 -11.856   0.704
  184   HH12  ARG  24          HH12      ARG  24  -1.291 -13.396   1.004
  185   HH21  ARG  24          HH21      ARG  24   1.867 -12.064   1.763
  186   HH22  ARG  24          HH22      ARG  24   0.932 -13.517   1.596
  187    H    LYS  25           HN       LYS  25  -2.511  -6.005  -2.691
  188    HA   LYS  25           HA       LYS  25  -0.231  -7.046  -4.135
  189    HB2  LYS  25           HB2      LYS  25  -2.080  -8.216  -4.826
  190    HB3  LYS  25           HB1      LYS  25  -3.180  -6.903  -4.480
  191    HG2  LYS  25           HG2      LYS  25  -3.168  -7.322  -6.826
  192    HG3  LYS  25           HG1      LYS  25  -2.419  -5.761  -6.502
  193    HD2  LYS  25           HD2      LYS  25  -0.192  -6.886  -6.662
  194    HD3  LYS  25           HD1      LYS  25  -1.030  -8.356  -7.167
  195    HE2  LYS  25           HE2      LYS  25  -2.022  -7.058  -9.047
  196    HE3  LYS  25           HE1      LYS  25  -1.010  -5.695  -8.580
  197    HZ1  LYS  25           HZ1      LYS  25   0.079  -6.855 -10.318
  198    HZ2  LYS  25           HZ2      LYS  25  -0.108  -8.345  -9.545
  199    HZ3  LYS  25           HZ3      LYS  25   0.935  -7.184  -8.897
  200    H    LEU  26           HN       LEU  26  -2.416  -4.220  -3.840
  201    HA   LEU  26           HA       LEU  26  -1.253  -2.765  -5.979
  202    HB2  LEU  26           HB2      LEU  26  -3.527  -2.365  -5.332
  203    HB3  LEU  26           HB1      LEU  26  -3.037  -1.942  -3.711
  204    HG   LEU  26           HG       LEU  26  -3.739  -0.073  -5.304
  205   HD11  LEU  26          HD11      LEU  26  -2.382   1.461  -4.143
  206   HD12  LEU  26          HD12      LEU  26  -1.128   0.248  -3.889
  207   HD13  LEU  26          HD13      LEU  26  -2.678   0.096  -3.059
  208   HD21  LEU  26          HD21      LEU  26  -0.921  -0.455  -6.250
  209   HD22  LEU  26          HD22      LEU  26  -1.998   0.881  -6.672
  210   HD23  LEU  26          HD23      LEU  26  -2.373  -0.761  -7.201
  211    H    VAL  27           HN       VAL  27  -0.954  -2.271  -2.404
  212    HA   VAL  27           HA       VAL  27   0.876  -0.167  -2.599
  213    HB   VAL  27           HB       VAL  27  -0.077  -0.583  -0.430
  214   HG11  VAL  27          HG11      VAL  27   1.238  -3.272  -0.621
  215   HG12  VAL  27          HG12      VAL  27  -0.478  -2.910  -0.445
  216   HG13  VAL  27          HG13      VAL  27   0.633  -2.594   0.891
  217   HG21  VAL  27          HG21      VAL  27   2.866  -1.263  -0.332
  218   HG22  VAL  27          HG22      VAL  27   1.900  -0.609   0.995
  219   HG23  VAL  27          HG23      VAL  27   2.194   0.366  -0.446
  220    H    LEU  28           HN       LEU  28   1.243  -3.571  -2.670
  221    HA   LEU  28           HA       LEU  28   4.006  -3.865  -2.710
  222    HB2  LEU  28           HB2      LEU  28   1.915  -5.515  -2.705
  223    HB3  LEU  28           HB1      LEU  28   2.264  -5.557  -4.417
  224    HG   LEU  28           HG       LEU  28   4.445  -6.476  -4.017
  225   HD11  LEU  28          HD11      LEU  28   5.069  -5.272  -2.055
  226   HD12  LEU  28          HD12      LEU  28   5.150  -6.998  -1.702
  227   HD13  LEU  28          HD13      LEU  28   3.783  -6.037  -1.122
  228   HD21  LEU  28          HD21      LEU  28   2.226  -7.760  -2.441
  229   HD22  LEU  28          HD22      LEU  28   3.776  -8.549  -2.756
  230   HD23  LEU  28          HD23      LEU  28   2.720  -8.110  -4.101
  231    H    ASP  29           HN       ASP  29   1.683  -3.456  -5.304
  232    HA   ASP  29           HA       ASP  29   3.489  -3.671  -7.471
  233    HB2  ASP  29           HB2      ASP  29   0.966  -3.905  -7.552
  234    HB3  ASP  29           HB1      ASP  29   0.882  -2.158  -7.432
  235    H    GLN  30           HN       GLN  30   2.109  -0.960  -5.703
  236    HA   GLN  30           HA       GLN  30   3.292   1.123  -7.126
  237    HB2  GLN  30           HB2      GLN  30   2.668   0.988  -4.197
  238    HB3  GLN  30           HB1      GLN  30   2.835   2.447  -5.160
  239    HG2  GLN  30           HG2      GLN  30   0.668   0.370  -5.373
  240    HG3  GLN  30           HG1      GLN  30   0.525   2.032  -4.814
  241   HE21  GLN  30          HE21      GLN  30   0.903  -0.042  -7.555
  242   HE22  GLN  30          HE22      GLN  30   0.529   1.140  -8.763
  243    H    ALA  31           HN       ALA  31   4.344  -0.607  -4.256
  244    HA   ALA  31           HA       ALA  31   6.732   0.808  -3.778
  245    HB1  ALA  31           HB1      ALA  31   5.634  -0.716  -2.171
  246    HB2  ALA  31           HB2      ALA  31   7.342  -1.102  -2.408
  247    HB3  ALA  31           HB3      ALA  31   6.096  -2.086  -3.190
  248    H    ALA  32           HN       ALA  32   5.845  -1.766  -5.865
  249    HA   ALA  32           HA       ALA  32   8.427  -2.605  -6.640
  250    HB1  ALA  32           HB1      ALA  32   6.957  -3.421  -8.671
  251    HB2  ALA  32           HB2      ALA  32   5.609  -2.934  -7.625
  252    HB3  ALA  32           HB3      ALA  32   6.772  -4.156  -7.079
  253    H    SER  33           HN       SER  33   6.028  -0.371  -7.920
  254    HA   SER  33           HA       SER  33   7.376   0.385 -10.259
  255    HB2  SER  33           HB2      SER  33   5.435   1.874  -8.482
  256    HB3  SER  33           HB1      SER  33   5.888   2.397 -10.111
  257    HG   SER  33           HG       SER  33   4.965  -0.225  -9.775
  258    H    VAL  34           HN       VAL  34   7.519   1.541  -6.951
  259    HA   VAL  34           HA       VAL  34   9.180   3.776  -7.314
  260    HB   VAL  34           HB       VAL  34   9.177   1.971  -4.911
  261   HG11  VAL  34          HG11      VAL  34   9.551   4.112  -3.708
  262   HG12  VAL  34          HG12      VAL  34   9.654   4.925  -5.268
  263   HG13  VAL  34          HG13      VAL  34  10.845   3.701  -4.833
  264   HG21  VAL  34          HG21      VAL  34   6.902   2.402  -5.514
  265   HG22  VAL  34          HG22      VAL  34   7.214   4.138  -5.577
  266   HG23  VAL  34          HG23      VAL  34   7.330   3.270  -4.046
  267    H    LEU  35           HN       LEU  35   9.835   0.540  -6.130
  268    HA   LEU  35           HA       LEU  35  12.543   0.945  -5.666
  269    HB2  LEU  35           HB2      LEU  35  10.565  -1.148  -5.551
  270    HB3  LEU  35           HB1      LEU  35  12.174  -1.766  -5.890
  271    HG   LEU  35           HG       LEU  35  12.903  -1.328  -3.777
  272   HD11  LEU  35          HD11      LEU  35  11.006   1.017  -3.681
  273   HD12  LEU  35          HD12      LEU  35  12.764   1.078  -3.836
  274   HD13  LEU  35          HD13      LEU  35  12.034   0.502  -2.340
  275   HD21  LEU  35          HD21      LEU  35  10.910  -1.478  -2.194
  276   HD22  LEU  35          HD22      LEU  35  11.132  -2.769  -3.371
  277   HD23  LEU  35          HD23      LEU  35   9.927  -1.510  -3.663
  278    H    GLY  36           HN       GLY  36  10.890  -0.143  -8.552
  279    HA2  GLY  36           HA2      GLY  36  12.352   0.290 -10.576
  280    HA3  GLY  36           HA1      GLY  36  13.532  -0.687  -9.716
  281    H    TYR  37           HN       TYR  37  10.339  -1.662  -9.309
  282    HA   TYR  37           HA       TYR  37  10.996  -4.118 -10.756
  283    HB2  TYR  37           HB2      TYR  37   8.807  -3.648  -8.732
  284    HB3  TYR  37           HB1      TYR  37   9.433  -5.192  -9.280
  285    HD1  TYR  37           HD1      TYR  37   9.144  -4.338  -6.442
  286    HD2  TYR  37           HD2      TYR  37  12.409  -3.993  -9.127
  287    HE1  TYR  37           HE1      TYR  37  10.688  -4.368  -4.554
  288    HE2  TYR  37           HE2      TYR  37  13.980  -4.000  -7.250
  289    HH   TYR  37           HH       TYR  37  13.939  -3.489  -4.799
  290    H    ALA  38           HN       ALA  38   8.915  -5.304 -11.507
  291    HA   ALA  38           HA       ALA  38   7.016  -3.429 -12.719
  292    HB1  ALA  38           HB1      ALA  38   8.476  -5.522 -14.320
  293    HB2  ALA  38           HB2      ALA  38   8.856  -3.799 -14.335
  294    HB3  ALA  38           HB3      ALA  38   7.291  -4.362 -14.920
  295    H    SER  39           HN       SER  39   7.576  -6.240 -11.056
  296    HA   SER  39           HA       SER  39   4.848  -7.133 -11.472
  297    HB2  SER  39           HB2      SER  39   6.131  -8.315 -13.221
  298    HB3  SER  39           HB1      SER  39   7.217  -8.951 -11.994
  299    HG   SER  39           HG       SER  39   5.188  -9.859 -11.049
  300    H    THR  40           HN       THR  40   6.469  -5.958  -9.340
  301    HA   THR  40           HA       THR  40   7.179  -6.207  -7.192
  302    HB   THR  40           HB       THR  40   5.620  -7.409  -5.693
  303    HG1  THR  40           HG1      THR  40   4.967  -8.690  -7.995
  304   HG21  THR  40          HG21      THR  40   4.373  -5.676  -7.821
  305   HG22  THR  40          HG22      THR  40   5.090  -5.142  -6.296
  306   HG23  THR  40          HG23      THR  40   3.596  -6.083  -6.289
  307    H    GLU  41           HN       GLU  41   8.658  -7.709  -8.902
  308    HA   GLU  41           HA       GLU  41   8.726 -10.458  -8.495
  309    HB2  GLU  41           HB2      GLU  41  11.115 -10.234  -9.396
  310    HB3  GLU  41           HB1      GLU  41   9.790  -9.683 -10.408
  311    HG2  GLU  41           HG2      GLU  41  11.023  -7.651  -8.672
  312    HG3  GLU  41           HG1      GLU  41  12.010  -8.265  -9.998
  313    H    SER  42           HN       SER  42  10.658  -7.951  -6.833
  314    HA   SER  42           HA       SER  42  11.655 -10.100  -5.093
  315    HB2  SER  42           HB2      SER  42  13.622  -8.554  -4.703
  316    HB3  SER  42           HB1      SER  42  13.489  -9.210  -6.334
  317    HG   SER  42           HG       SER  42  13.239  -6.608  -5.437
  318    H    LEU  43           HN       LEU  43   9.208  -8.615  -4.707
  319    HA   LEU  43           HA       LEU  43   9.840  -7.030  -2.347
  320    HB2  LEU  43           HB2      LEU  43   7.357  -7.418  -3.971
  321    HB3  LEU  43           HB1      LEU  43   7.336  -6.605  -2.416
  322    HG   LEU  43           HG       LEU  43   9.048  -5.724  -4.729
  323   HD11  LEU  43          HD11      LEU  43   7.406  -3.963  -5.050
  324   HD12  LEU  43          HD12      LEU  43   6.383  -4.692  -3.808
  325   HD13  LEU  43          HD13      LEU  43   6.706  -5.562  -5.308
  326   HD21  LEU  43          HD21      LEU  43   8.277  -4.447  -2.116
  327   HD22  LEU  43          HD22      LEU  43   9.161  -3.643  -3.412
  328   HD23  LEU  43          HD23      LEU  43   9.878  -5.025  -2.580
  329    H    ASP  44           HN       ASP  44   8.399  -7.281  -0.489
  330    HA   ASP  44           HA       ASP  44   7.390  -9.993  -0.069
  331    HB2  ASP  44           HB2      ASP  44   9.832  -9.431   0.906
  332    HB3  ASP  44           HB1      ASP  44   8.861  -8.708   2.177
  333    H    THR  45           HN       THR  45   5.548 -10.004   1.178
  334    HA   THR  45           HA       THR  45   4.553  -7.382   1.976
  335    HB   THR  45           HB       THR  45   2.428  -8.751   2.454
  336    HG1  THR  45           HG1      THR  45   3.427 -10.579   0.568
  337   HG21  THR  45          HG21      THR  45   2.535  -7.254   0.602
  338   HG22  THR  45          HG22      THR  45   1.819  -8.768   0.047
  339   HG23  THR  45          HG23      THR  45   3.502  -8.395  -0.330
  340    H    HIS  46           HN       HIS  46   6.254  -9.895   3.290
  341    HA   HIS  46           HA       HIS  46   5.096  -9.514   5.967
  342    HB2  HIS  46           HB2      HIS  46   6.947 -11.688   4.960
  343    HB3  HIS  46           HB1      HIS  46   6.312 -11.572   6.591
  344    HD1  HIS  46           HD1      HIS  46   4.488 -13.176   6.949
  345    HD2  HIS  46           HD2      HIS  46   4.538 -11.749   3.052
  346    HE1  HIS  46           HE1      HIS  46   2.626 -14.384   5.767
  347    HE2  HIS  46           HE2      HIS  46   2.843 -13.677   3.359
  348    H    GLU  47           HN       GLU  47   7.494  -8.330   4.053
  349    HA   GLU  47           HA       GLU  47   9.282  -7.875   6.339
  350    HB2  GLU  47           HB2      GLU  47  11.107  -8.260   5.076
  351    HB3  GLU  47           HB1      GLU  47  10.001  -9.081   3.989
  352    HG2  GLU  47           HG2      GLU  47   9.751  -6.934   2.743
  353    HG3  GLU  47           HG1      GLU  47  11.005  -6.259   3.777
  354    H    SER  48           HN       SER  48  10.164  -5.748   6.510
  355    HA   SER  48           HA       SER  48   8.029  -3.868   5.996
  356    HB2  SER  48           HB2      SER  48  10.575  -3.188   7.442
  357    HB3  SER  48           HB1      SER  48   8.939  -2.591   7.718
  358    HG   SER  48           HG       SER  48   8.692  -4.118   9.120
  359    H    PHE  49           HN       PHE  49   8.247  -1.895   4.956
  360    HA   PHE  49           HA       PHE  49   9.633  -1.823   2.568
  361    HB2  PHE  49           HB2      PHE  49   8.627   0.516   4.175
  362    HB3  PHE  49           HB1      PHE  49   9.117   0.589   2.487
  363    HD1  PHE  49           HD1      PHE  49   7.726  -0.240   0.763
  364    HD2  PHE  49           HD2      PHE  49   6.588  -0.669   4.833
  365    HE1  PHE  49           HE1      PHE  49   5.473  -0.880   0.059
  366    HE2  PHE  49           HE2      PHE  49   4.319  -1.313   4.130
  367    HZ   PHE  49           HZ       PHE  49   3.714  -1.310   1.819
  368    H    LYS  50           HN       LYS  50  10.649  -0.703   5.690
  369    HA   LYS  50           HA       LYS  50  12.965   0.627   5.219
  370    HB2  LYS  50           HB2      LYS  50  11.892  -0.292   7.400
  371    HB3  LYS  50           HB1      LYS  50  12.903  -1.699   7.110
  372    HG2  LYS  50           HG2      LYS  50  14.081  -0.353   8.605
  373    HG3  LYS  50           HG1      LYS  50  14.868  -0.128   7.046
  374    HD2  LYS  50           HD2      LYS  50  14.673   2.015   8.088
  375    HD3  LYS  50           HD1      LYS  50  13.513   1.955   6.762
  376    HE2  LYS  50           HE2      LYS  50  12.547   2.971   8.774
  377    HE3  LYS  50           HE1      LYS  50  11.712   1.487   8.326
  378    HZ1  LYS  50           HZ1      LYS  50  12.138   1.655  10.719
  379    HZ2  LYS  50           HZ2      LYS  50  13.801   1.683  10.427
  380    HZ3  LYS  50           HZ3      LYS  50  12.899   0.307  10.039
  381    H    ASP  51           HN       ASP  51  12.541  -2.866   5.241
  382    HA   ASP  51           HA       ASP  51  15.175  -3.457   4.349
  383    HB2  ASP  51           HB2      ASP  51  13.618  -4.903   5.760
  384    HB3  ASP  51           HB1      ASP  51  12.807  -5.305   4.256
  385    H    LEU  52           HN       LEU  52  12.215  -2.686   2.774
  386    HA   LEU  52           HA       LEU  52  12.845  -3.801   0.218
  387    HB2  LEU  52           HB2      LEU  52  10.813  -1.860   1.234
  388    HB3  LEU  52           HB1      LEU  52  11.028  -2.067  -0.476
  389    HG   LEU  52           HG       LEU  52  10.434  -4.447  -0.276
  390   HD11  LEU  52          HD11      LEU  52   9.428  -5.201   1.856
  391   HD12  LEU  52          HD12      LEU  52  10.069  -3.744   2.614
  392   HD13  LEU  52          HD13      LEU  52  11.170  -4.940   1.928
  393   HD21  LEU  52          HD21      LEU  52   8.478  -2.527   0.947
  394   HD22  LEU  52          HD22      LEU  52   8.077  -4.152   0.389
  395   HD23  LEU  52          HD23      LEU  52   8.643  -2.935  -0.763
  396    H    GLY  53           HN       GLY  53  13.757  -1.039   1.967
  397    HA2  GLY  53           HA2      GLY  53  15.718   0.116   1.264
  398    HA3  GLY  53           HA1      GLY  53  15.210  -0.089  -0.399
  399    H    PHE  54           HN       PHE  54  12.616   0.836   1.623
  400    HA   PHE  54           HA       PHE  54  12.532   3.385   0.352
  401    HB2  PHE  54           HB2      PHE  54  10.760   2.104   2.431
  402    HB3  PHE  54           HB1      PHE  54  10.482   3.710   1.768
  403    HD1  PHE  54           HD1      PHE  54   9.719   4.023  -0.468
  404    HD2  PHE  54           HD2      PHE  54  10.567   0.142   1.029
  405    HE1  PHE  54           HE1      PHE  54   8.525   3.043  -2.366
  406    HE2  PHE  54           HE2      PHE  54   9.388  -0.862  -0.863
  407    HZ   PHE  54           HZ       PHE  54   8.493   0.602  -2.676
  408    H    ASP  55           HN       ASP  55  12.193   5.401   1.470
  409    HA   ASP  55           HA       ASP  55  13.392   5.874   4.032
  410    HB2  ASP  55           HB2      ASP  55  15.336   5.500   2.334
  411    HB3  ASP  55           HB1      ASP  55  14.857   7.062   1.678
  412    H    SER  56           HN       SER  56  14.030   8.602   3.629
  413    HA   SER  56           HA       SER  56  11.388   9.711   3.330
  414    HB2  SER  56           HB2      SER  56  14.021  11.135   3.784
  415    HB3  SER  56           HB1      SER  56  12.410  11.811   4.019
  416    HG   SER  56           HG       SER  56  13.878  10.480   5.764
  417    H    LEU  57           HN       LEU  57  12.278   8.545   0.999
  418    HA   LEU  57           HA       LEU  57  12.190  10.741  -0.904
  419    HB2  LEU  57           HB2      LEU  57  14.016   8.368  -1.095
  420    HB3  LEU  57           HB1      LEU  57  13.881   9.651  -2.278
  421    HG   LEU  57           HG       LEU  57  14.809  10.068   0.552
  422   HD11  LEU  57          HD11      LEU  57  16.454   9.685  -1.948
  423   HD12  LEU  57          HD12      LEU  57  16.344   8.567  -0.589
  424   HD13  LEU  57          HD13      LEU  57  17.079  10.154  -0.367
  425   HD21  LEU  57          HD21      LEU  57  15.696  12.174  -0.379
  426   HD22  LEU  57          HD22      LEU  57  13.941  12.055  -0.502
  427   HD23  LEU  57          HD23      LEU  57  14.945  11.782  -1.926
  428    H    THR  58           HN       THR  58  12.607   7.233  -0.946
  429    HA   THR  58           HA       THR  58  10.847   6.821  -3.121
  430    HB   THR  58           HB       THR  58  11.078   4.366  -2.298
  431    HG1  THR  58           HG1      THR  58  13.387   4.937  -1.004
  432   HG21  THR  58          HG21      THR  58  13.520   5.956  -3.089
  433   HG22  THR  58          HG22      THR  58  12.305   5.310  -4.193
  434   HG23  THR  58          HG23      THR  58  13.318   4.211  -3.258
  435    H    ALA  59           HN       ALA  59  10.521   6.359   0.374
  436    HA   ALA  59           HA       ALA  59   8.015   5.198   0.441
  437    HB1  ALA  59           HB1      ALA  59   9.499   5.543   2.412
  438    HB2  ALA  59           HB2      ALA  59   7.833   6.044   2.703
  439    HB3  ALA  59           HB3      ALA  59   9.078   7.255   2.387
  440    H    LEU  60           HN       LEU  60   9.015   8.477  -0.060
  441    HA   LEU  60           HA       LEU  60   6.530   9.735   0.323
  442    HB2  LEU  60           HB2      LEU  60   9.029  10.534  -1.146
  443    HB3  LEU  60           HB1      LEU  60   7.633  11.587  -1.027
  444    HG   LEU  60           HG       LEU  60   9.408  12.136   0.622
  445   HD11  LEU  60          HD11      LEU  60   7.097  12.716   1.088
  446   HD12  LEU  60          HD12      LEU  60   7.962  12.282   2.563
  447   HD13  LEU  60          HD13      LEU  60   6.848  11.133   1.825
  448   HD21  LEU  60          HD21      LEU  60  10.246   9.897   1.072
  449   HD22  LEU  60          HD22      LEU  60   8.701   9.462   1.807
  450   HD23  LEU  60          HD23      LEU  60   9.723  10.686   2.560
  451    H    GLU  61           HN       GLU  61   8.228   8.674  -2.645
  452    HA   GLU  61           HA       GLU  61   5.996   9.421  -4.280
  453    HB2  GLU  61           HB2      GLU  61   7.164   7.947  -6.017
  454    HB3  GLU  61           HB1      GLU  61   7.991   9.406  -5.483
  455    HG2  GLU  61           HG2      GLU  61   9.413   8.095  -4.038
  456    HG3  GLU  61           HG1      GLU  61   8.541   6.629  -4.475
  457    H    LEU  62           HN       LEU  62   6.992   6.501  -2.627
  458    HA   LEU  62           HA       LEU  62   5.053   4.770  -3.762
  459    HB2  LEU  62           HB2      LEU  62   6.819   3.866  -2.399
  460    HB3  LEU  62           HB1      LEU  62   6.283   4.802  -1.021
  461    HG   LEU  62           HG       LEU  62   4.192   3.539  -0.950
  462   HD11  LEU  62          HD11      LEU  62   5.390   2.030  -3.251
  463   HD12  LEU  62          HD12      LEU  62   3.934   3.025  -3.273
  464   HD13  LEU  62          HD13      LEU  62   3.968   1.525  -2.341
  465   HD21  LEU  62          HD21      LEU  62   5.101   1.494  -0.125
  466   HD22  LEU  62          HD22      LEU  62   6.195   2.819   0.286
  467   HD23  LEU  62          HD23      LEU  62   6.585   1.734  -1.048
  468    H    ARG  63           HN       ARG  63   5.040   6.829  -0.909
  469    HA   ARG  63           HA       ARG  63   2.464   6.328   0.024
  470    HB2  ARG  63           HB2      ARG  63   3.909   7.591   1.399
  471    HB3  ARG  63           HB1      ARG  63   4.332   8.693   0.097
  472    HG2  ARG  63           HG2      ARG  63   1.815   9.353   0.194
  473    HG3  ARG  63           HG1      ARG  63   1.897   8.651   1.813
  474    HD2  ARG  63           HD2      ARG  63   2.316  11.066   1.841
  475    HD3  ARG  63           HD1      ARG  63   3.711  10.146   2.398
  476    HE   ARG  63           HE       ARG  63   4.348  10.475  -0.155
  477   HH11  ARG  63          HH11      ARG  63   3.068  12.769   2.151
  478   HH12  ARG  63          HH12      ARG  63   3.824  14.139   1.402
  479   HH21  ARG  63          HH21      ARG  63   5.310  12.285  -1.168
  480   HH22  ARG  63          HH22      ARG  63   5.104  13.861  -0.473
  481    H    ASP  64           HN       ASP  64   3.774   8.679  -2.251
  482    HA   ASP  64           HA       ASP  64   1.478   9.941  -3.112
  483    HB2  ASP  64           HB2      ASP  64   3.897  10.439  -3.709
  484    HB3  ASP  64           HB1      ASP  64   3.752   9.166  -4.911
  485    H    HIS  65           HN       HIS  65   2.963   6.936  -4.205
  486    HA   HIS  65           HA       HIS  65   1.228   6.369  -6.328
  487    HB2  HIS  65           HB2      HIS  65   2.835   4.571  -4.553
  488    HB3  HIS  65           HB1      HIS  65   1.954   4.002  -5.946
  489    HD1  HIS  65           HD1      HIS  65   2.909   6.627  -7.699
  490    HD2  HIS  65           HD2      HIS  65   5.214   3.863  -5.662
  491    HE1  HIS  65           HE1      HIS  65   5.206   6.733  -8.746
  492    HE2  HIS  65           HE2      HIS  65   6.603   5.141  -7.421
  493    H    LEU  66           HN       LEU  66   1.060   5.516  -2.864
  494    HA   LEU  66           HA       LEU  66  -1.124   3.737  -3.166
  495    HB2  LEU  66           HB2      LEU  66   0.124   5.181  -0.880
  496    HB3  LEU  66           HB1      LEU  66  -1.403   4.365  -0.642
  497    HG   LEU  66           HG       LEU  66  -0.476   2.255  -0.847
  498   HD11  LEU  66          HD11      LEU  66   0.591   2.581  -3.015
  499   HD12  LEU  66          HD12      LEU  66   1.667   1.758  -1.888
  500   HD13  LEU  66          HD13      LEU  66   1.900   3.470  -2.241
  501   HD21  LEU  66          HD21      LEU  66   1.717   4.000   0.233
  502   HD22  LEU  66          HD22      LEU  66   1.603   2.254   0.461
  503   HD23  LEU  66          HD23      LEU  66   0.369   3.315   1.138
  504    H    GLN  67           HN       GLN  67  -0.904   7.151  -2.381
  505    HA   GLN  67           HA       GLN  67  -3.698   7.505  -1.875
  506    HB2  GLN  67           HB2      GLN  67  -1.858   9.677  -2.806
  507    HB3  GLN  67           HB1      GLN  67  -3.227   9.796  -1.711
  508    HG2  GLN  67           HG2      GLN  67  -2.061   8.870   0.050
  509    HG3  GLN  67           HG1      GLN  67  -0.873   8.136  -1.037
  510   HE21  GLN  67          HE21      GLN  67  -0.352  10.394  -2.605
  511   HE22  GLN  67          HE22      GLN  67   0.538  11.508  -1.646
  512    H    THR  68           HN       THR  68  -1.612   7.757  -4.665
  513    HA   THR  68           HA       THR  68  -3.490   8.774  -6.471
  514    HB   THR  68           HB       THR  68  -0.906   7.298  -6.553
  515    HG1  THR  68           HG1      THR  68  -0.273   9.289  -6.571
  516   HG21  THR  68          HG21      THR  68  -2.501   8.012  -9.013
  517   HG22  THR  68          HG22      THR  68  -2.147   6.382  -8.435
  518   HG23  THR  68          HG23      THR  68  -0.838   7.422  -8.990
  519    H    ALA  69           HN       ALA  69  -2.323   5.582  -5.736
  520    HA   ALA  69           HA       ALA  69  -3.932   4.063  -7.391
  521    HB1  ALA  69           HB1      ALA  69  -2.696   3.391  -4.749
  522    HB2  ALA  69           HB2      ALA  69  -1.952   3.219  -6.338
  523    HB3  ALA  69           HB3      ALA  69  -3.336   2.212  -5.896
  524    H    THR  70           HN       THR  70  -4.449   4.942  -3.974
  525    HA   THR  70           HA       THR  70  -6.955   3.469  -3.973
  526    HB   THR  70           HB       THR  70  -7.052   3.976  -1.582
  527    HG1  THR  70           HG1      THR  70  -4.562   5.316  -1.825
  528   HG21  THR  70          HG21      THR  70  -5.039   2.819  -0.878
  529   HG22  THR  70          HG22      THR  70  -4.266   3.186  -2.419
  530   HG23  THR  70          HG23      THR  70  -5.653   2.094  -2.364
  531    H    GLY  71           HN       GLY  71  -5.764   6.716  -3.920
  532    HA2  GLY  71           HA2      GLY  71  -6.901   8.660  -4.517
  533    HA3  GLY  71           HA1      GLY  71  -8.415   7.765  -4.476
  534    H    LEU  72           HN       LEU  72  -6.475   7.201  -1.813
  535    HA   LEU  72           HA       LEU  72  -8.175   8.866  -0.105
  536    HB2  LEU  72           HB2      LEU  72  -6.497   6.409   0.339
  537    HB3  LEU  72           HB1      LEU  72  -7.027   7.383   1.689
  538    HG   LEU  72           HG       LEU  72  -8.428   5.381   1.305
  539   HD11  LEU  72          HD11      LEU  72 -10.570   6.464   1.523
  540   HD12  LEU  72          HD12      LEU  72  -9.909   7.965   0.869
  541   HD13  LEU  72          HD13      LEU  72  -9.345   7.356   2.424
  542   HD21  LEU  72          HD21      LEU  72  -9.967   5.287  -0.562
  543   HD22  LEU  72          HD22      LEU  72  -8.297   5.286  -1.127
  544   HD23  LEU  72          HD23      LEU  72  -9.261   6.756  -1.235
  545    H    ASN  73           HN       ASN  73  -6.529   9.024   2.108
  546    HA   ASN  73           HA       ASN  73  -4.309  10.680   1.130
  547    HB2  ASN  73           HB2      ASN  73  -6.306  12.026   1.863
  548    HB3  ASN  73           HB1      ASN  73  -6.084  11.365   3.479
  549   HD21  ASN  73          HD21      ASN  73  -4.387  12.061   4.742
  550   HD22  ASN  73          HD22      ASN  73  -3.414  13.433   4.327
  551    H    LEU  74           HN       LEU  74  -2.580   9.529   1.703
  552    HA   LEU  74           HA       LEU  74  -2.616   8.098   4.219
  553    HB2  LEU  74           HB2      LEU  74  -0.916   7.830   1.763
  554    HB3  LEU  74           HB1      LEU  74  -0.571   6.974   3.262
  555    HG   LEU  74           HG       LEU  74  -3.049   6.147   3.008
  556   HD11  LEU  74          HD11      LEU  74  -2.338   6.653   0.119
  557   HD12  LEU  74          HD12      LEU  74  -3.520   7.589   1.036
  558   HD13  LEU  74          HD13      LEU  74  -3.799   5.873   0.742
  559   HD21  LEU  74          HD21      LEU  74  -1.302   4.606   3.063
  560   HD22  LEU  74          HD22      LEU  74  -0.637   5.174   1.531
  561   HD23  LEU  74          HD23      LEU  74  -2.155   4.280   1.555
  562    H    SER  75           HN       SER  75   0.380   7.939   4.299
  563    HA   SER  75           HA       SER  75   0.683  10.523   5.678
  564    HB2  SER  75           HB2      SER  75   1.595   7.861   6.730
  565    HB3  SER  75           HB1      SER  75   1.592   9.394   7.588
  566    HG   SER  75           HG       SER  75  -0.714   9.364   7.418
  567    H    SER  76           HN       SER  76   2.942  11.083   6.226
  568    HA   SER  76           HA       SER  76   4.640  10.763   3.962
  569    HB2  SER  76           HB2      SER  76   5.347  11.936   6.656
  570    HB3  SER  76           HB1      SER  76   6.135  12.260   5.111
  571    HG   SER  76           HG       SER  76   4.762  13.921   5.303
  572    H    THR  77           HN       THR  77   4.641   9.480   7.244
  573    HA   THR  77           HA       THR  77   6.888   7.707   6.537
  574    HB   THR  77           HB       THR  77   6.853   7.256   9.084
  575    HG1  THR  77           HG1      THR  77   5.733   9.851   9.233
  576   HG21  THR  77          HG21      THR  77   8.247   9.266   9.493
  577   HG22  THR  77          HG22      THR  77   7.697   9.918   7.948
  578   HG23  THR  77          HG23      THR  77   8.651   8.437   7.990
  579    H    LEU  78           HN       LEU  78   4.287   7.485   5.630
  580    HA   LEU  78           HA       LEU  78   2.418   5.931   6.820
  581    HB2  LEU  78           HB2      LEU  78   2.368   7.063   4.617
  582    HB3  LEU  78           HB1      LEU  78   3.392   5.807   3.980
  583    HG   LEU  78           HG       LEU  78   0.770   5.865   3.639
  584   HD11  LEU  78          HD11      LEU  78   2.547   3.476   3.919
  585   HD12  LEU  78          HD12      LEU  78   2.123   4.374   2.447
  586   HD13  LEU  78          HD13      LEU  78   0.906   3.395   3.278
  587   HD21  LEU  78          HD21      LEU  78   1.208   4.548   6.275
  588   HD22  LEU  78          HD22      LEU  78  -0.090   4.004   5.207
  589   HD23  LEU  78          HD23      LEU  78  -0.057   5.675   5.771
  590    H    ILE  79           HN       ILE  79   4.944   4.632   4.693
  591    HA   ILE  79           HA       ILE  79   4.398   1.913   5.445
  592    HB   ILE  79           HB       ILE  79   6.213   1.356   3.938
  593   HG12  ILE  79          HG12      ILE  79   6.770   4.307   4.031
  594   HG13  ILE  79          HG11      ILE  79   7.874   2.980   4.379
  595   HG21  ILE  79          HG21      ILE  79   4.492   3.580   2.871
  596   HG22  ILE  79          HG22      ILE  79   4.074   1.865   2.930
  597   HG23  ILE  79          HG23      ILE  79   5.395   2.419   1.899
  598   HD11  ILE  79          HD11      ILE  79   6.826   3.908   1.739
  599   HD12  ILE  79          HD12      ILE  79   7.595   2.328   1.948
  600   HD13  ILE  79          HD13      ILE  79   8.501   3.802   2.286
  601    H    PHE  80           HN       PHE  80   5.846   4.142   7.234
  602    HA   PHE  80           HA       PHE  80   7.715   2.190   8.378
  603    HB2  PHE  80           HB2      PHE  80   7.820   5.213   8.485
  604    HB3  PHE  80           HB1      PHE  80   8.925   4.141   9.341
  605    HD1  PHE  80           HD1      PHE  80   9.082   6.292   6.882
  606    HD2  PHE  80           HD2      PHE  80   9.478   2.080   7.349
  607    HE1  PHE  80           HE1      PHE  80  10.551   6.228   4.913
  608    HE2  PHE  80           HE2      PHE  80  10.942   1.998   5.376
  609    HZ   PHE  80           HZ       PHE  80  11.397   4.016   4.094
  610    H    ASP  81           HN       ASP  81   4.918   4.013   8.693
  611    HA   ASP  81           HA       ASP  81   4.601   3.678  11.536
  612    HB2  ASP  81           HB2      ASP  81   3.377   5.282   9.627
  613    HB3  ASP  81           HB1      ASP  81   2.195   4.019   9.918
  614    H    HIS  82           HN       HIS  82   3.642   2.294   8.524
  615    HA   HIS  82           HA       HIS  82   2.668  -0.126   9.853
  616    HB2  HIS  82           HB2      HIS  82   1.839   0.893   7.128
  617    HB3  HIS  82           HB1      HIS  82   1.091  -0.389   8.066
  618    HD1  HIS  82           HD1      HIS  82  -0.260   0.374  10.225
  619    HD2  HIS  82           HD2      HIS  82   0.989   3.441   7.707
  620    HE1  HIS  82           HE1      HIS  82  -1.504   2.422  10.986
  621    HE2  HIS  82           HE2      HIS  82  -0.575   4.300   9.585
  622    HA   PRO  83           HA       PRO  83   6.646  -1.057   8.403
  623    HB2  PRO  83           HB2      PRO  83   6.629  -3.751   8.972
  624    HB3  PRO  83           HB1      PRO  83   6.882  -2.479  10.172
  625    HG2  PRO  83           HG2      PRO  83   4.364  -3.958   9.485
  626    HG3  PRO  83           HG1      PRO  83   5.016  -3.529  11.081
  627    HD2  PRO  83           HD2      PRO  83   3.046  -2.103   9.967
  628    HD3  PRO  83           HD1      PRO  83   4.328  -1.319  10.899
  629    H    THR  84           HN       THR  84   4.050  -3.219   7.303
  630    HA   THR  84           HA       THR  84   5.721  -3.855   4.988
  631    HB   THR  84           HB       THR  84   4.642  -6.051   4.951
  632    HG1  THR  84           HG1      THR  84   3.583  -6.314   7.303
  633   HG21  THR  84          HG21      THR  84   5.695  -6.993   6.962
  634   HG22  THR  84          HG22      THR  84   5.847  -5.369   7.638
  635   HG23  THR  84          HG23      THR  84   6.743  -5.806   6.183
  636    HA   PRO  85           HA       PRO  85   2.418  -2.626   2.275
  637    HB2  PRO  85           HB2      PRO  85   2.733  -5.279   0.981
  638    HB3  PRO  85           HB1      PRO  85   2.837  -3.672   0.260
  639    HG2  PRO  85           HG2      PRO  85   5.016  -5.180   0.673
  640    HG3  PRO  85           HG1      PRO  85   5.050  -3.414   0.822
  641    HD2  PRO  85           HD2      PRO  85   5.049  -5.489   2.947
  642    HD3  PRO  85           HD1      PRO  85   5.814  -3.894   2.929
  643    H    HIS  86           HN       HIS  86   2.554  -5.480   4.055
  644    HA   HIS  86           HA       HIS  86  -0.170  -6.320   3.691
  645    HB2  HIS  86           HB2      HIS  86   1.172  -8.072   4.348
  646    HB3  HIS  86           HB1      HIS  86   2.165  -7.073   5.379
  647    HD1  HIS  86           HD1      HIS  86  -0.554  -9.501   5.477
  648    HD2  HIS  86           HD2      HIS  86   0.889  -6.449   7.915
  649    HE1  HIS  86           HE1      HIS  86  -1.451  -9.994   7.773
  650    HE2  HIS  86           HE2      HIS  86  -0.406  -8.250   9.269
  651    H    ALA  87           HN       ALA  87   1.700  -4.565   6.097
  652    HA   ALA  87           HA       ALA  87  -0.499  -4.071   7.861
  653    HB1  ALA  87           HB1      ALA  87   1.057  -2.652   9.072
  654    HB2  ALA  87           HB2      ALA  87   2.178  -2.685   7.710
  655    HB3  ALA  87           HB3      ALA  87   1.856  -4.161   8.627
  656    H    VAL  88           HN       VAL  88   0.813  -2.657   5.094
  657    HA   VAL  88           HA       VAL  88  -0.348  -0.042   5.536
  658    HB   VAL  88           HB       VAL  88   1.135  -1.254   3.228
  659   HG11  VAL  88          HG11      VAL  88   1.178   1.012   2.262
  660   HG12  VAL  88          HG12      VAL  88   0.042   1.527   3.510
  661   HG13  VAL  88          HG13      VAL  88  -0.437   0.307   2.330
  662   HG21  VAL  88          HG21      VAL  88   2.885   0.354   3.850
  663   HG22  VAL  88          HG22      VAL  88   2.528  -0.796   5.141
  664   HG23  VAL  88          HG23      VAL  88   1.906   0.858   5.229
  665    H    ALA  89           HN       ALA  89  -0.844  -2.820   3.419
  666    HA   ALA  89           HA       ALA  89  -2.981  -1.749   1.973
  667    HB1  ALA  89           HB1      ALA  89  -2.309  -4.602   2.647
  668    HB2  ALA  89           HB2      ALA  89  -1.974  -3.725   1.150
  669    HB3  ALA  89           HB3      ALA  89  -3.631  -4.139   1.579
  670    H    GLU  90           HN       GLU  90  -2.952  -3.520   5.102
  671    HA   GLU  90           HA       GLU  90  -5.814  -3.462   5.268
  672    HB2  GLU  90           HB2      GLU  90  -5.424  -4.048   7.676
  673    HB3  GLU  90           HB1      GLU  90  -4.692  -5.151   6.518
  674    HG2  GLU  90           HG2      GLU  90  -2.542  -4.165   6.863
  675    HG3  GLU  90           HG1      GLU  90  -3.227  -2.938   7.924
  676    H    HIS  91           HN       HIS  91  -3.211  -1.359   6.159
  677    HA   HIS  91           HA       HIS  91  -4.658   0.484   7.684
  678    HB2  HIS  91           HB2      HIS  91  -2.310   0.671   7.780
  679    HB3  HIS  91           HB1      HIS  91  -2.156   0.699   6.023
  680    HD1  HIS  91           HD1      HIS  91  -3.385   2.899   8.869
  681    HD2  HIS  91           HD2      HIS  91  -2.140   3.157   4.920
  682    HE1  HIS  91           HE1      HIS  91  -3.241   5.356   8.373
  683    HE2  HIS  91           HE2      HIS  91  -2.701   5.490   5.925
  684    H    LEU  92           HN       LEU  92  -4.511  -0.149   4.295
  685    HA   LEU  92           HA       LEU  92  -5.648   2.340   3.497
  686    HB2  LEU  92           HB2      LEU  92  -4.899  -0.203   2.161
  687    HB3  LEU  92           HB1      LEU  92  -6.125   0.787   1.377
  688    HG   LEU  92           HG       LEU  92  -4.656   2.542   0.978
  689   HD11  LEU  92          HD11      LEU  92  -3.056   1.440   3.253
  690   HD12  LEU  92          HD12      LEU  92  -3.720   3.066   3.041
  691   HD13  LEU  92          HD13      LEU  92  -2.336   2.541   2.083
  692   HD21  LEU  92          HD21      LEU  92  -2.905   0.101   0.888
  693   HD22  LEU  92          HD22      LEU  92  -2.660   1.595  -0.014
  694   HD23  LEU  92          HD23      LEU  92  -4.063   0.581  -0.352
  695    H    LEU  93           HN       LEU  93  -6.859  -0.449   4.899
  696    HA   LEU  93           HA       LEU  93  -9.558  -0.280   3.888
  697    HB2  LEU  93           HB2      LEU  93  -8.359  -1.715   6.235
  698    HB3  LEU  93           HB1      LEU  93 -10.082  -1.710   5.925
  699    HG   LEU  93           HG       LEU  93  -9.880  -3.102   4.070
  700   HD11  LEU  93          HD11      LEU  93  -8.179  -1.911   2.842
  701   HD12  LEU  93          HD12      LEU  93  -7.722  -3.612   2.973
  702   HD13  LEU  93          HD13      LEU  93  -6.946  -2.403   4.005
  703   HD21  LEU  93          HD21      LEU  93  -7.651  -3.908   5.927
  704   HD22  LEU  93          HD22      LEU  93  -8.525  -4.971   4.818
  705   HD23  LEU  93          HD23      LEU  93  -9.367  -4.229   6.178
  706    H    GLU  94           HN       GLU  94  -7.664   0.898   6.476
  707    HA   GLU  94           HA       GLU  94  -9.596   1.875   8.237
  708    HB2  GLU  94           HB2      GLU  94  -6.809   2.763   7.536
  709    HB3  GLU  94           HB1      GLU  94  -7.706   3.424   8.909
  710    HG2  GLU  94           HG2      GLU  94  -6.925   0.541   8.507
  711    HG3  GLU  94           HG1      GLU  94  -6.130   1.685   9.584
  712    H    GLN  95           HN       GLN  95  -8.401   3.039   5.202
  713    HA   GLN  95           HA       GLN  95  -9.400   5.719   5.491
  714    HB2  GLN  95           HB2      GLN  95  -8.534   4.394   2.941
  715    HB3  GLN  95           HB1      GLN  95  -8.344   6.074   3.424
  716    HG2  GLN  95           HG2      GLN  95  -6.910   3.789   4.741
  717    HG3  GLN  95           HG1      GLN  95  -6.246   4.719   3.408
  718   HE21  GLN  95          HE21      GLN  95  -5.409   4.345   6.182
  719   HE22  GLN  95          HE22      GLN  95  -5.252   5.936   6.850
  720    H    ILE  96           HN       ILE  96 -10.576   2.686   4.492
  721    HA   ILE  96           HA       ILE  96 -12.259   3.505   2.357
  722    HB   ILE  96           HB       ILE  96 -12.142   0.946   3.926
  723   HG12  ILE  96          HG12      ILE  96 -10.037   1.706   2.919
  724   HG13  ILE  96          HG11      ILE  96 -10.617   0.217   2.212
  725   HG21  ILE  96          HG21      ILE  96 -13.209  -0.145   2.115
  726   HG22  ILE  96          HG22      ILE  96 -13.168   1.317   1.135
  727   HG23  ILE  96          HG23      ILE  96 -14.212   1.236   2.556
  728   HD11  ILE  96          HD11      ILE  96 -11.002   2.942   1.004
  729   HD12  ILE  96          HD12      ILE  96 -11.376   1.388   0.257
  730   HD13  ILE  96          HD13      ILE  96  -9.697   1.833   0.576
  731    HA   PRO  97           HA       PRO  97 -15.755   4.901   4.523
  732    HB2  PRO  97           HB2      PRO  97 -17.523   4.919   2.533
  733    HB3  PRO  97           HB1      PRO  97 -16.080   5.944   2.488
  734    HG2  PRO  97           HG2      PRO  97 -16.505   3.262   1.220
  735    HG3  PRO  97           HG1      PRO  97 -15.899   4.746   0.476
  736    HD2  PRO  97           HD2      PRO  97 -14.255   2.814   1.351
  737    HD3  PRO  97           HD1      PRO  97 -13.827   4.520   1.435
  738    H    GLY  98           HN       GLY  98 -15.953   2.942   5.932
  739    HA2  GLY  98           HA2      GLY  98 -17.600   1.725   7.027
  740    HA3  GLY  98           HA1      GLY  98 -18.654   1.962   5.644
  741    H    ILE  99           HN       ILE  99 -17.615   0.775   3.608
  742    HA   ILE  99           HA       ILE  99 -17.940  -1.964   3.925
  743    HB   ILE  99           HB       ILE  99 -16.442  -1.962   1.714
  744   HG12  ILE  99          HG12      ILE  99 -17.542   0.788   1.470
  745   HG13  ILE  99          HG11      ILE  99 -16.069   0.600   2.413
  746   HG21  ILE  99          HG21      ILE  99 -18.793  -2.550   1.807
  747   HG22  ILE  99          HG22      ILE  99 -18.484  -1.484   0.438
  748   HG23  ILE  99          HG23      ILE  99 -19.237  -0.846   1.900
  749   HD11  ILE  99          HD11      ILE  99 -15.501   1.171   0.174
  750   HD12  ILE  99          HD12      ILE  99 -16.481  -0.157  -0.466
  751   HD13  ILE  99          HD13      ILE  99 -15.023  -0.506   0.473
  752    H    GLY 100           HN       GLY 100 -15.078  -0.015   4.256
  753    HA2  GLY 100           HA2      GLY 100 -13.505  -2.440   4.800
  754    HA3  GLY 100           HA1      GLY 100 -12.831  -0.979   4.080
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -8.983  15.192  -6.293
    2    H2   GLY   1           HT2      GLY   1  -7.584  16.126  -6.120
    3    H3   GLY   1           HT3      GLY   1  -8.915  16.405  -5.120
    4    HA2  GLY   1           HA1      GLY   1  -7.275  13.939  -5.152
    5    HA3  GLY   1           HA2      GLY   1  -7.178  15.208  -3.942
    6    H    SER   2           HN       SER   2  -7.628  12.794  -2.979
    7    HA   SER   2           HA       SER   2  -8.981  11.576  -1.637
    8    HB2  SER   2           HB2      SER   2 -10.739  14.041  -1.688
    9    HB3  SER   2           HB1      SER   2 -10.835  12.730  -0.515
   10    HG   SER   2           HG       SER   2  -8.311  13.600  -0.618
   11    H    THR   3           HN       THR   3  -9.209  11.090  -4.346
   12    HA   THR   3           HA       THR   3 -11.782  10.935  -5.396
   13    HB   THR   3           HB       THR   3  -9.364   9.176  -5.756
   14    HG1  THR   3           HG1      THR   3  -8.905  10.567  -7.265
   15   HG21  THR   3          HG21      THR   3 -11.291   7.777  -6.172
   16   HG22  THR   3          HG22      THR   3 -10.501   8.182  -7.702
   17   HG23  THR   3          HG23      THR   3 -11.989   9.007  -7.235
   18    H    ALA   4           HN       ALA   4 -10.000   8.249  -3.927
   19    HA   ALA   4           HA       ALA   4 -10.578   6.435  -2.758
   20    HB1  ALA   4           HB1      ALA   4 -11.646   8.048  -1.223
   21    HB2  ALA   4           HB2      ALA   4 -12.454   6.480  -1.248
   22    HB3  ALA   4           HB3      ALA   4 -13.156   7.847  -2.112
   23    H    THR   5           HN       THR   5 -13.588   7.504  -4.347
   24    HA   THR   5           HA       THR   5 -14.880   5.154  -4.727
   25    HB   THR   5           HB       THR   5 -14.680   7.166  -6.952
   26    HG1  THR   5           HG1      THR   5 -16.455   8.192  -5.657
   27   HG21  THR   5          HG21      THR   5 -16.960   5.494  -5.884
   28   HG22  THR   5          HG22      THR   5 -16.067   5.194  -7.374
   29   HG23  THR   5          HG23      THR   5 -17.065   6.640  -7.220
   30    H    LEU   6           HN       LEU   6 -12.043   6.161  -6.472
   31    HA   LEU   6           HA       LEU   6 -12.022   4.353  -8.570
   32    HB2  LEU   6           HB2      LEU   6 -10.370   6.043  -8.508
   33    HB3  LEU   6           HB1      LEU   6  -9.848   5.577  -6.902
   34    HG   LEU   6           HG       LEU   6  -8.864   3.522  -7.796
   35   HD11  LEU   6          HD11      LEU   6  -8.673   3.234 -10.236
   36   HD12  LEU   6          HD12      LEU   6  -9.762   4.602 -10.469
   37   HD13  LEU   6          HD13      LEU   6 -10.342   3.138  -9.674
   38   HD21  LEU   6          HD21      LEU   6  -7.982   6.001  -9.278
   39   HD22  LEU   6          HD22      LEU   6  -7.007   4.562  -8.971
   40   HD23  LEU   6          HD23      LEU   6  -7.534   5.575  -7.626
   41    H    LEU   7           HN       LEU   7 -10.303   3.948  -5.474
   42    HA   LEU   7           HA       LEU   7 -10.042   1.120  -5.961
   43    HB2  LEU   7           HB2      LEU   7  -8.665   3.033  -4.441
   44    HB3  LEU   7           HB1      LEU   7  -9.359   1.910  -3.283
   45    HG   LEU   7           HG       LEU   7  -7.072   1.268  -3.958
   46   HD11  LEU   7          HD11      LEU   7  -9.166  -0.686  -4.896
   47   HD12  LEU   7          HD12      LEU   7  -8.834  -0.329  -3.202
   48   HD13  LEU   7          HD13      LEU   7  -7.577  -1.055  -4.211
   49   HD21  LEU   7          HD21      LEU   7  -8.293   0.658  -6.646
   50   HD22  LEU   7          HD22      LEU   7  -6.606   0.485  -6.164
   51   HD23  LEU   7          HD23      LEU   7  -7.320   2.092  -6.323
   52    H    THR   8           HN       THR   8 -11.940   3.241  -3.992
   53    HA   THR   8           HA       THR   8 -12.982   1.510  -2.094
   54    HB   THR   8           HB       THR   8 -14.091   3.927  -3.456
   55    HG1  THR   8           HG1      THR   8 -13.724   4.782  -1.314
   56   HG21  THR   8          HG21      THR   8 -16.022   2.549  -2.819
   57   HG22  THR   8          HG22      THR   8 -15.910   4.006  -1.831
   58   HG23  THR   8          HG23      THR   8 -15.400   2.454  -1.174
   59    H    SER   9           HN       SER   9 -13.950   2.016  -5.435
   60    HA   SER   9           HA       SER   9 -16.290   0.426  -5.368
   61    HB2  SER   9           HB2      SER   9 -14.486   1.412  -7.566
   62    HB3  SER   9           HB1      SER   9 -15.903   0.407  -7.910
   63    HG   SER   9           HG       SER   9 -15.722   3.051  -7.253
   64    H    LYS  10           HN       LYS  10 -12.928  -0.328  -5.519
   65    HA   LYS  10           HA       LYS  10 -13.183  -3.013  -6.443
   66    HB2  LYS  10           HB2      LYS  10 -11.043  -1.625  -6.442
   67    HB3  LYS  10           HB1      LYS  10 -10.998  -1.876  -4.697
   68    HG2  LYS  10           HG2      LYS  10  -9.556  -3.481  -5.552
   69    HG3  LYS  10           HG1      LYS  10 -11.044  -4.362  -5.218
   70    HD2  LYS  10           HD2      LYS  10 -10.475  -3.229  -7.931
   71    HD3  LYS  10           HD1      LYS  10  -9.840  -4.807  -7.453
   72    HE2  LYS  10           HE2      LYS  10 -12.311  -5.316  -6.825
   73    HE3  LYS  10           HE1      LYS  10 -12.677  -3.934  -7.854
   74    HZ1  LYS  10           HZ1      LYS  10 -12.801  -5.968  -9.108
   75    HZ2  LYS  10           HZ2      LYS  10 -11.213  -6.367  -8.696
   76    HZ3  LYS  10           HZ3      LYS  10 -11.517  -5.025  -9.674
   77    H    LEU  11           HN       LEU  11 -12.542  -1.578  -3.280
   78    HA   LEU  11           HA       LEU  11 -12.545  -3.969  -1.832
   79    HB2  LEU  11           HB2      LEU  11 -13.263  -1.220  -0.834
   80    HB3  LEU  11           HB1      LEU  11 -12.878  -2.592   0.176
   81    HG   LEU  11           HG       LEU  11 -10.864  -1.531   0.210
   82   HD11  LEU  11          HD11      LEU  11 -10.571  -3.766  -0.799
   83   HD12  LEU  11          HD12      LEU  11  -9.315  -2.616  -1.270
   84   HD13  LEU  11          HD13      LEU  11 -10.620  -3.012  -2.398
   85   HD21  LEU  11          HD21      LEU  11 -11.739   0.262  -1.361
   86   HD22  LEU  11          HD22      LEU  11 -11.061  -0.710  -2.673
   87   HD23  LEU  11          HD23      LEU  11 -10.008  -0.066  -1.409
   88    H    ALA  12           HN       ALA  12 -15.139  -2.009  -2.951
   89    HA   ALA  12           HA       ALA  12 -17.246  -2.881  -1.361
   90    HB1  ALA  12           HB1      ALA  12 -17.439  -1.076  -2.987
   91    HB2  ALA  12           HB2      ALA  12 -18.675  -2.303  -3.269
   92    HB3  ALA  12           HB3      ALA  12 -17.248  -2.231  -4.307
   93    H    GLY  13           HN       GLY  13 -15.512  -4.494  -3.914
   94    HA2  GLY  13           HA2      GLY  13 -17.452  -6.660  -4.097
   95    HA3  GLY  13           HA1      GLY  13 -15.993  -6.474  -5.058
   96    H    LEU  14           HN       LEU  14 -14.833  -5.925  -2.122
   97    HA   LEU  14           HA       LEU  14 -14.151  -8.739  -1.692
   98    HB2  LEU  14           HB2      LEU  14 -12.775  -6.211  -0.898
   99    HB3  LEU  14           HB1      LEU  14 -12.297  -7.758  -0.305
  100    HG   LEU  14           HG       LEU  14 -10.822  -7.645  -1.969
  101   HD11  LEU  14          HD11      LEU  14 -12.281  -9.491  -2.569
  102   HD12  LEU  14          HD12      LEU  14 -11.562  -8.737  -3.998
  103   HD13  LEU  14          HD13      LEU  14 -13.244  -8.403  -3.575
  104   HD21  LEU  14          HD21      LEU  14 -12.742  -5.836  -3.394
  105   HD22  LEU  14          HD22      LEU  14 -11.140  -6.273  -3.989
  106   HD23  LEU  14          HD23      LEU  14 -11.309  -5.372  -2.477
  107    H    THR  15           HN       THR  15 -13.642  -9.294   0.503
  108    HA   THR  15           HA       THR  15 -15.310  -7.997   2.524
  109    HB   THR  15           HB       THR  15 -14.850  -9.948   3.884
  110    HG1  THR  15           HG1      THR  15 -13.429 -11.623   2.779
  111   HG21  THR  15          HG21      THR  15 -16.558 -10.287   2.188
  112   HG22  THR  15          HG22      THR  15 -15.637 -11.776   2.407
  113   HG23  THR  15          HG23      THR  15 -15.325 -10.740   1.008
  114    H    ALA  16           HN       ALA  16 -14.075  -7.578   4.649
  115    HA   ALA  16           HA       ALA  16 -12.053  -5.775   4.308
  116    HB1  ALA  16           HB1      ALA  16 -11.495  -6.079   6.666
  117    HB2  ALA  16           HB2      ALA  16 -12.375  -7.607   6.690
  118    HB3  ALA  16           HB3      ALA  16 -13.242  -6.094   6.427
  119    H    THR  17           HN       THR  17 -11.700  -9.260   4.746
  120    HA   THR  17           HA       THR  17  -8.898  -9.341   4.908
  121    HB   THR  17           HB       THR  17 -10.763 -11.483   3.877
  122    HG1  THR  17           HG1      THR  17 -11.465 -11.478   5.869
  123   HG21  THR  17          HG21      THR  17  -9.025 -13.023   4.635
  124   HG22  THR  17          HG22      THR  17  -8.022 -11.658   5.126
  125   HG23  THR  17          HG23      THR  17  -8.397 -11.907   3.421
  126    H    GLU  18           HN       GLU  18 -11.076  -9.767   2.098
  127    HA   GLU  18           HA       GLU  18  -8.948 -10.207   0.299
  128    HB2  GLU  18           HB2      GLU  18 -11.811  -9.427  -0.173
  129    HB3  GLU  18           HB1      GLU  18 -10.692  -9.962  -1.403
  130    HG2  GLU  18           HG2      GLU  18 -10.526 -12.126  -0.321
  131    HG3  GLU  18           HG1      GLU  18 -11.616 -11.570   0.945
  132    H    GLN  19           HN       GLN  19 -10.675  -7.428   1.465
  133    HA   GLN  19           HA       GLN  19  -9.720  -5.511  -0.356
  134    HB2  GLN  19           HB2      GLN  19 -10.382  -5.237   2.572
  135    HB3  GLN  19           HB1      GLN  19 -10.216  -3.903   1.450
  136    HG2  GLN  19           HG2      GLN  19 -12.089  -4.665   0.198
  137    HG3  GLN  19           HG1      GLN  19 -12.207  -6.113   1.167
  138   HE21  GLN  19          HE21      GLN  19 -14.245  -4.233   0.701
  139   HE22  GLN  19          HE22      GLN  19 -14.683  -3.562   2.240
  140    H    ARG  20           HN       ARG  20  -8.403  -6.828   2.648
  141    HA   ARG  20           HA       ARG  20  -5.979  -5.396   2.713
  142    HB2  ARG  20           HB2      ARG  20  -6.014  -8.342   3.310
  143    HB3  ARG  20           HB1      ARG  20  -5.122  -7.064   4.122
  144    HG2  ARG  20           HG2      ARG  20  -7.175  -6.263   5.119
  145    HG3  ARG  20           HG1      ARG  20  -8.095  -7.519   4.279
  146    HD2  ARG  20           HD2      ARG  20  -7.729  -8.252   6.518
  147    HD3  ARG  20           HD1      ARG  20  -6.685  -9.199   5.467
  148    HE   ARG  20           HE       ARG  20  -5.389  -6.903   6.611
  149   HH11  ARG  20          HH11      ARG  20  -6.210 -10.268   7.061
  150   HH12  ARG  20          HH12      ARG  20  -4.964 -10.555   8.231
  151   HH21  ARG  20          HH21      ARG  20  -3.742  -7.269   8.205
  152   HH22  ARG  20          HH22      ARG  20  -3.591  -8.860   8.891
  153    H    ALA  21           HN       ALA  21  -6.909  -8.371   1.111
  154    HA   ALA  21           HA       ALA  21  -4.398  -9.103   0.111
  155    HB1  ALA  21           HB1      ALA  21  -7.088  -9.797  -1.041
  156    HB2  ALA  21           HB2      ALA  21  -6.331 -10.613   0.326
  157    HB3  ALA  21           HB3      ALA  21  -5.581 -10.684  -1.268
  158    H    VAL  22           HN       VAL  22  -6.963  -7.207  -1.400
  159    HA   VAL  22           HA       VAL  22  -5.806  -7.271  -3.980
  160    HB   VAL  22           HB       VAL  22  -7.369  -5.366  -4.504
  161   HG11  VAL  22          HG11      VAL  22  -7.942  -7.780  -4.736
  162   HG12  VAL  22          HG12      VAL  22  -9.331  -6.737  -4.446
  163   HG13  VAL  22          HG13      VAL  22  -8.671  -7.712  -3.130
  164   HG21  VAL  22          HG21      VAL  22  -7.478  -4.317  -2.323
  165   HG22  VAL  22          HG22      VAL  22  -8.174  -5.779  -1.622
  166   HG23  VAL  22          HG23      VAL  22  -9.091  -4.843  -2.808
  167    H    THR  23           HN       THR  23  -5.634  -4.747  -1.424
  168    HA   THR  23           HA       THR  23  -3.682  -3.459  -3.145
  169    HB   THR  23           HB       THR  23  -5.105  -1.895  -2.245
  170    HG1  THR  23           HG1      THR  23  -2.697  -1.729  -0.780
  171   HG21  THR  23          HG21      THR  23  -5.866  -3.189  -0.267
  172   HG22  THR  23          HG22      THR  23  -5.517  -1.492   0.082
  173   HG23  THR  23          HG23      THR  23  -4.356  -2.739   0.523
  174    H    ARG  24           HN       ARG  24  -3.638  -5.716  -0.604
  175    HA   ARG  24           HA       ARG  24  -0.936  -5.296   0.182
  176    HB2  ARG  24           HB2      ARG  24  -2.323  -6.959   1.315
  177    HB3  ARG  24           HB1      ARG  24  -2.522  -7.853  -0.181
  178    HG2  ARG  24           HG2      ARG  24   0.121  -7.926  -0.044
  179    HG3  ARG  24           HG1      ARG  24  -0.225  -7.746   1.678
  180    HD2  ARG  24           HD2      ARG  24  -1.718  -9.682   1.569
  181    HD3  ARG  24           HD1      ARG  24  -1.357  -9.854  -0.149
  182    HE   ARG  24           HE       ARG  24   1.038  -9.900   1.333
  183   HH11  ARG  24          HH11      ARG  24  -1.784 -11.865   0.705
  184   HH12  ARG  24          HH12      ARG  24  -0.948 -13.365   0.956
  185   HH21  ARG  24          HH21      ARG  24   2.145 -11.864   1.650
  186   HH22  ARG  24          HH22      ARG  24   1.286 -13.366   1.478
  187    H    LYS  25           HN       LYS  25  -2.496  -6.030  -2.659
  188    HA   LYS  25           HA       LYS  25  -0.142  -7.005  -4.023
  189    HB2  LYS  25           HB2      LYS  25  -1.965  -8.333  -4.559
  190    HB3  LYS  25           HB1      LYS  25  -3.098  -7.004  -4.458
  191    HG2  LYS  25           HG2      LYS  25  -2.933  -7.762  -6.716
  192    HG3  LYS  25           HG1      LYS  25  -2.262  -6.141  -6.561
  193    HD2  LYS  25           HD2      LYS  25  -0.013  -7.015  -6.620
  194    HD3  LYS  25           HD1      LYS  25  -0.619  -8.672  -6.572
  195    HE2  LYS  25           HE2      LYS  25   0.016  -8.154  -8.825
  196    HE3  LYS  25           HE1      LYS  25  -1.740  -8.266  -8.744
  197    HZ1  LYS  25           HZ1      LYS  25  -0.147  -5.766  -8.783
  198    HZ2  LYS  25           HZ2      LYS  25  -1.832  -5.839  -8.638
  199    HZ3  LYS  25           HZ3      LYS  25  -1.080  -6.377 -10.054
  200    H    LEU  26           HN       LEU  26  -2.432  -4.264  -3.802
  201    HA   LEU  26           HA       LEU  26  -1.304  -2.817  -5.967
  202    HB2  LEU  26           HB2      LEU  26  -3.574  -2.421  -5.299
  203    HB3  LEU  26           HB1      LEU  26  -3.062  -1.973  -3.689
  204    HG   LEU  26           HG       LEU  26  -3.776  -0.125  -5.315
  205   HD11  LEU  26          HD11      LEU  26  -2.696   0.056  -3.071
  206   HD12  LEU  26          HD12      LEU  26  -2.439   1.420  -4.165
  207   HD13  LEU  26          HD13      LEU  26  -1.159   0.231  -3.921
  208   HD21  LEU  26          HD21      LEU  26  -2.405  -0.843  -7.204
  209   HD22  LEU  26          HD22      LEU  26  -0.955  -0.519  -6.253
  210   HD23  LEU  26          HD23      LEU  26  -2.035   0.807  -6.697
  211    H    VAL  27           HN       VAL  27  -0.956  -2.330  -2.402
  212    HA   VAL  27           HA       VAL  27   0.866  -0.226  -2.597
  213    HB   VAL  27           HB       VAL  27  -0.063  -0.711  -0.421
  214   HG11  VAL  27          HG11      VAL  27  -0.373  -3.049  -0.454
  215   HG12  VAL  27          HG12      VAL  27   0.766  -2.719   0.852
  216   HG13  VAL  27          HG13      VAL  27   1.344  -3.346  -0.694
  217   HG21  VAL  27          HG21      VAL  27   2.149   0.339  -0.442
  218   HG22  VAL  27          HG22      VAL  27   2.908  -1.257  -0.419
  219   HG23  VAL  27          HG23      VAL  27   1.957  -0.709   0.964
  220    H    LEU  28           HN       LEU  28   1.238  -3.625  -2.717
  221    HA   LEU  28           HA       LEU  28   4.005  -3.911  -2.781
  222    HB2  LEU  28           HB2      LEU  28   1.874  -5.557  -2.810
  223    HB3  LEU  28           HB1      LEU  28   2.313  -5.630  -4.501
  224    HG   LEU  28           HG       LEU  28   4.435  -6.588  -3.994
  225   HD11  LEU  28          HD11      LEU  28   5.068  -7.006  -1.617
  226   HD12  LEU  28          HD12      LEU  28   3.746  -5.929  -1.148
  227   HD13  LEU  28          HD13      LEU  28   5.091  -5.314  -2.108
  228   HD21  LEU  28          HD21      LEU  28   2.682  -8.202  -4.007
  229   HD22  LEU  28          HD22      LEU  28   2.173  -7.750  -2.377
  230   HD23  LEU  28          HD23      LEU  28   3.715  -8.581  -2.624
  231    H    ASP  29           HN       ASP  29   1.650  -3.483  -5.338
  232    HA   ASP  29           HA       ASP  29   3.406  -3.664  -7.544
  233    HB2  ASP  29           HB2      ASP  29   0.904  -3.880  -7.614
  234    HB3  ASP  29           HB1      ASP  29   0.806  -2.149  -7.359
  235    H    GLN  30           HN       GLN  30   2.065  -0.970  -5.723
  236    HA   GLN  30           HA       GLN  30   3.240   1.119  -7.130
  237    HB2  GLN  30           HB2      GLN  30   2.620   0.948  -4.204
  238    HB3  GLN  30           HB1      GLN  30   2.796   2.422  -5.140
  239    HG2  GLN  30           HG2      GLN  30   0.622   0.358  -5.405
  240    HG3  GLN  30           HG1      GLN  30   0.482   2.005  -4.801
  241   HE21  GLN  30          HE21      GLN  30   0.858   0.003  -7.602
  242   HE22  GLN  30          HE22      GLN  30   0.487   1.220  -8.776
  243    H    ALA  31           HN       ALA  31   4.314  -0.620  -4.269
  244    HA   ALA  31           HA       ALA  31   6.703   0.802  -3.800
  245    HB1  ALA  31           HB1      ALA  31   7.321  -1.103  -2.427
  246    HB2  ALA  31           HB2      ALA  31   6.082  -2.094  -3.207
  247    HB3  ALA  31           HB3      ALA  31   5.613  -0.727  -2.188
  248    H    ALA  32           HN       ALA  32   5.804  -1.735  -5.916
  249    HA   ALA  32           HA       ALA  32   8.388  -2.573  -6.699
  250    HB1  ALA  32           HB1      ALA  32   5.568  -2.890  -7.680
  251    HB2  ALA  32           HB2      ALA  32   6.744  -4.121  -7.172
  252    HB3  ALA  32           HB3      ALA  32   6.907  -3.347  -8.747
  253    H    SER  33           HN       SER  33   6.002  -0.299  -7.969
  254    HA   SER  33           HA       SER  33   7.390   0.466 -10.288
  255    HB2  SER  33           HB2      SER  33   5.069   1.016 -10.045
  256    HB3  SER  33           HB1      SER  33   5.370   1.877  -8.537
  257    HG   SER  33           HG       SER  33   6.560   2.684 -10.978
  258    H    VAL  34           HN       VAL  34   7.497   1.577  -6.967
  259    HA   VAL  34           HA       VAL  34   9.147   3.819  -7.276
  260    HB   VAL  34           HB       VAL  34   9.161   1.951  -4.920
  261   HG11  VAL  34          HG11      VAL  34   9.648   4.902  -5.220
  262   HG12  VAL  34          HG12      VAL  34  10.824   3.663  -4.785
  263   HG13  VAL  34          HG13      VAL  34   9.518   4.071  -3.672
  264   HG21  VAL  34          HG21      VAL  34   7.192   4.124  -5.531
  265   HG22  VAL  34          HG22      VAL  34   7.313   3.222  -4.020
  266   HG23  VAL  34          HG23      VAL  34   6.884   2.388  -5.509
  267    H    LEU  35           HN       LEU  35   9.831   0.572  -6.158
  268    HA   LEU  35           HA       LEU  35  12.541   0.976  -5.730
  269    HB2  LEU  35           HB2      LEU  35  10.573  -1.123  -5.605
  270    HB3  LEU  35           HB1      LEU  35  12.177  -1.734  -5.979
  271    HG   LEU  35           HG       LEU  35  12.954  -1.296  -3.875
  272   HD11  LEU  35          HD11      LEU  35  12.060   0.513  -2.408
  273   HD12  LEU  35          HD12      LEU  35  11.021   1.023  -3.744
  274   HD13  LEU  35          HD13      LEU  35  12.777   1.108  -3.904
  275   HD21  LEU  35          HD21      LEU  35  11.217  -2.765  -3.434
  276   HD22  LEU  35          HD22      LEU  35   9.985  -1.537  -3.731
  277   HD23  LEU  35          HD23      LEU  35  10.969  -1.469  -2.261
  278    H    GLY  36           HN       GLY  36  10.865  -0.111  -8.606
  279    HA2  GLY  36           HA2      GLY  36  12.339   0.340 -10.633
  280    HA3  GLY  36           HA1      GLY  36  13.493  -0.682  -9.788
  281    H    TYR  37           HN       TYR  37  10.304  -1.611  -9.349
  282    HA   TYR  37           HA       TYR  37  10.890  -4.040 -10.870
  283    HB2  TYR  37           HB2      TYR  37   8.759  -3.603  -8.780
  284    HB3  TYR  37           HB1      TYR  37   9.377  -5.135  -9.366
  285    HD1  TYR  37           HD1      TYR  37   9.176  -4.287  -6.450
  286    HD2  TYR  37           HD2      TYR  37  12.317  -4.022  -9.291
  287    HE1  TYR  37           HE1      TYR  37  10.806  -4.328  -4.625
  288    HE2  TYR  37           HE2      TYR  37  13.962  -4.040  -7.490
  289    HH   TYR  37           HH       TYR  37  14.109  -3.543  -5.091
  290    H    ALA  38           HN       ALA  38   8.876  -5.157 -11.731
  291    HA   ALA  38           HA       ALA  38   6.970  -3.190 -12.803
  292    HB1  ALA  38           HB1      ALA  38   8.306  -5.336 -14.443
  293    HB2  ALA  38           HB2      ALA  38   8.730  -3.623 -14.479
  294    HB3  ALA  38           HB3      ALA  38   7.133  -4.149 -15.016
  295    H    SER  39           HN       SER  39   7.435  -6.020 -11.159
  296    HA   SER  39           HA       SER  39   4.651  -6.694 -11.335
  297    HB2  SER  39           HB2      SER  39   5.585  -7.870 -13.308
  298    HB3  SER  39           HB1      SER  39   6.714  -8.713 -12.253
  299    HG   SER  39           HG       SER  39   3.876  -8.869 -12.158
  300    H    THR  40           HN       THR  40   6.481  -5.764  -9.366
  301    HA   THR  40           HA       THR  40   7.193  -6.093  -7.235
  302    HB   THR  40           HB       THR  40   5.662  -7.342  -5.768
  303    HG1  THR  40           HG1      THR  40   5.043  -8.615  -8.085
  304   HG21  THR  40          HG21      THR  40   3.577  -6.089  -6.398
  305   HG22  THR  40          HG22      THR  40   4.408  -5.599  -7.880
  306   HG23  THR  40          HG23      THR  40   5.039  -5.103  -6.306
  307    H    GLU  41           HN       GLU  41   8.660  -7.547  -9.053
  308    HA   GLU  41           HA       GLU  41   8.821 -10.304  -8.485
  309    HB2  GLU  41           HB2      GLU  41  11.041 -10.130  -9.695
  310    HB3  GLU  41           HB1      GLU  41   9.619  -9.597 -10.577
  311    HG2  GLU  41           HG2      GLU  41  11.079  -7.521  -9.082
  312    HG3  GLU  41           HG1      GLU  41  11.889  -8.206 -10.492
  313    H    SER  42           HN       SER  42  10.426  -7.550  -7.004
  314    HA   SER  42           HA       SER  42  11.874  -9.461  -5.296
  315    HB2  SER  42           HB2      SER  42  12.844  -6.709  -6.083
  316    HB3  SER  42           HB1      SER  42  13.736  -7.925  -5.170
  317    HG   SER  42           HG       SER  42  13.400  -9.280  -7.130
  318    H    LEU  43           HN       LEU  43   9.337  -8.597  -4.611
  319    HA   LEU  43           HA       LEU  43   9.928  -6.852  -2.325
  320    HB2  LEU  43           HB2      LEU  43   7.390  -7.339  -3.847
  321    HB3  LEU  43           HB1      LEU  43   7.453  -6.451  -2.333
  322    HG   LEU  43           HG       LEU  43   9.052  -5.664  -4.754
  323   HD11  LEU  43          HD11      LEU  43   6.712  -5.596  -5.316
  324   HD12  LEU  43          HD12      LEU  43   7.354  -3.962  -5.133
  325   HD13  LEU  43          HD13      LEU  43   6.365  -4.674  -3.855
  326   HD21  LEU  43          HD21      LEU  43   9.883  -4.837  -2.647
  327   HD22  LEU  43          HD22      LEU  43   8.276  -4.245  -2.220
  328   HD23  LEU  43          HD23      LEU  43   9.154  -3.521  -3.567
  329    H    ASP  44           HN       ASP  44   8.357  -7.177  -0.514
  330    HA   ASP  44           HA       ASP  44   7.374  -9.892  -0.164
  331    HB2  ASP  44           HB2      ASP  44   9.782  -9.435   0.919
  332    HB3  ASP  44           HB1      ASP  44   8.799  -8.663   2.155
  333    H    THR  45           HN       THR  45   5.652  -9.958   1.328
  334    HA   THR  45           HA       THR  45   4.616  -7.316   2.075
  335    HB   THR  45           HB       THR  45   2.468  -8.626   2.516
  336    HG1  THR  45           HG1      THR  45   3.765 -10.529   0.833
  337   HG21  THR  45          HG21      THR  45   2.625  -7.172   0.640
  338   HG22  THR  45          HG22      THR  45   1.893  -8.681   0.095
  339   HG23  THR  45          HG23      THR  45   3.588  -8.343  -0.259
  340    H    HIS  46           HN       HIS  46   6.245  -9.929   3.309
  341    HA   HIS  46           HA       HIS  46   5.126  -9.570   6.003
  342    HB2  HIS  46           HB2      HIS  46   6.896 -11.739   4.853
  343    HB3  HIS  46           HB1      HIS  46   6.439 -11.639   6.545
  344    HD1  HIS  46           HD1      HIS  46   4.579 -13.142   7.100
  345    HD2  HIS  46           HD2      HIS  46   4.334 -11.763   3.191
  346    HE1  HIS  46           HE1      HIS  46   2.553 -14.260   6.119
  347    HE2  HIS  46           HE2      HIS  46   2.563 -13.588   3.695
  348    H    GLU  47           HN       GLU  47   7.472  -8.321   4.108
  349    HA   GLU  47           HA       GLU  47   9.282  -7.884   6.380
  350    HB2  GLU  47           HB2      GLU  47  11.093  -8.301   5.116
  351    HB3  GLU  47           HB1      GLU  47   9.973  -9.119   4.041
  352    HG2  GLU  47           HG2      GLU  47   9.734  -6.941   2.805
  353    HG3  GLU  47           HG1      GLU  47  11.069  -6.332   3.790
  354    H    SER  48           HN       SER  48  10.206  -5.754   6.490
  355    HA   SER  48           HA       SER  48   8.071  -3.872   5.958
  356    HB2  SER  48           HB2      SER  48  10.605  -3.235   7.448
  357    HB3  SER  48           HB1      SER  48   8.989  -2.573   7.666
  358    HG   SER  48           HG       SER  48   9.768  -5.237   8.263
  359    H    PHE  49           HN       PHE  49   8.303  -1.914   4.931
  360    HA   PHE  49           HA       PHE  49   9.681  -1.821   2.540
  361    HB2  PHE  49           HB2      PHE  49   8.684   0.508   4.169
  362    HB3  PHE  49           HB1      PHE  49   9.150   0.588   2.477
  363    HD1  PHE  49           HD1      PHE  49   7.746  -0.293   0.768
  364    HD2  PHE  49           HD2      PHE  49   6.641  -0.613   4.856
  365    HE1  PHE  49           HE1      PHE  49   5.482  -0.929   0.100
  366    HE2  PHE  49           HE2      PHE  49   4.361  -1.251   4.191
  367    HZ   PHE  49           HZ       PHE  49   3.735  -1.278   1.870
  368    H    LYS  50           HN       LYS  50  10.692  -0.738   5.667
  369    HA   LYS  50           HA       LYS  50  12.996   0.615   5.236
  370    HB2  LYS  50           HB2      LYS  50  11.952  -0.281   7.400
  371    HB3  LYS  50           HB1      LYS  50  12.848  -1.751   7.083
  372    HG2  LYS  50           HG2      LYS  50  14.004  -0.373   8.667
  373    HG3  LYS  50           HG1      LYS  50  14.930  -0.516   7.175
  374    HD2  LYS  50           HD2      LYS  50  13.316   1.736   6.828
  375    HD3  LYS  50           HD1      LYS  50  13.916   1.842   8.486
  376    HE2  LYS  50           HE2      LYS  50  15.658   1.287   6.113
  377    HE3  LYS  50           HE1      LYS  50  15.379   2.909   6.743
  378    HZ1  LYS  50           HZ1      LYS  50  17.423   1.980   7.611
  379    HZ2  LYS  50           HZ2      LYS  50  16.594   0.649   8.238
  380    HZ3  LYS  50           HZ3      LYS  50  16.308   2.193   8.863
  381    H    ASP  51           HN       ASP  51  12.624  -2.882   5.195
  382    HA   ASP  51           HA       ASP  51  15.255  -3.444   4.292
  383    HB2  ASP  51           HB2      ASP  51  13.764  -5.034   5.538
  384    HB3  ASP  51           HB1      ASP  51  12.836  -5.221   4.056
  385    H    LEU  52           HN       LEU  52  12.239  -2.773   2.708
  386    HA   LEU  52           HA       LEU  52  12.906  -3.752   0.132
  387    HB2  LEU  52           HB2      LEU  52  10.838  -1.871   1.191
  388    HB3  LEU  52           HB1      LEU  52  11.034  -2.073  -0.523
  389    HG   LEU  52           HG       LEU  52  10.503  -4.471  -0.311
  390   HD11  LEU  52          HD11      LEU  52   9.547  -5.256   1.828
  391   HD12  LEU  52          HD12      LEU  52  10.131  -3.774   2.584
  392   HD13  LEU  52          HD13      LEU  52  11.278  -4.925   1.899
  393   HD21  LEU  52          HD21      LEU  52   8.680  -2.975  -0.779
  394   HD22  LEU  52          HD22      LEU  52   8.504  -2.605   0.938
  395   HD23  LEU  52          HD23      LEU  52   8.142  -4.229   0.347
  396    H    GLY  53           HN       GLY  53  13.743  -0.990   1.916
  397    HA2  GLY  53           HA2      GLY  53  15.701   0.174   1.221
  398    HA3  GLY  53           HA1      GLY  53  15.175   0.012  -0.439
  399    H    PHE  54           HN       PHE  54  12.589   0.856   1.614
  400    HA   PHE  54           HA       PHE  54  12.441   3.386   0.328
  401    HB2  PHE  54           HB2      PHE  54  10.715   2.081   2.429
  402    HB3  PHE  54           HB1      PHE  54  10.393   3.680   1.763
  403    HD1  PHE  54           HD1      PHE  54   9.628   3.977  -0.452
  404    HD2  PHE  54           HD2      PHE  54  10.566   0.105   1.006
  405    HE1  PHE  54           HE1      PHE  54   8.551   2.996  -2.410
  406    HE2  PHE  54           HE2      PHE  54   9.488  -0.905  -0.949
  407    HZ   PHE  54           HZ       PHE  54   8.490   0.537  -2.692
  408    H    ASP  55           HN       ASP  55  12.175   5.425   1.339
  409    HA   ASP  55           HA       ASP  55  13.593   5.897   3.833
  410    HB2  ASP  55           HB2      ASP  55  15.190   5.708   1.677
  411    HB3  ASP  55           HB1      ASP  55  14.636   7.383   1.470
  412    H    SER  56           HN       SER  56  14.107   8.589   3.485
  413    HA   SER  56           HA       SER  56  11.468   9.747   3.249
  414    HB2  SER  56           HB2      SER  56  13.231  10.459   4.948
  415    HB3  SER  56           HB1      SER  56  14.089  11.218   3.610
  416    HG   SER  56           HG       SER  56  12.723  12.812   3.656
  417    H    LEU  57           HN       LEU  57  12.510   8.486   0.940
  418    HA   LEU  57           HA       LEU  57  12.267  10.668  -0.979
  419    HB2  LEU  57           HB2      LEU  57  14.081   8.294  -1.256
  420    HB3  LEU  57           HB1      LEU  57  13.898   9.590  -2.418
  421    HG   LEU  57           HG       LEU  57  14.988   9.962   0.365
  422   HD11  LEU  57          HD11      LEU  57  16.443   9.574  -2.246
  423   HD12  LEU  57          HD12      LEU  57  16.458   8.491  -0.856
  424   HD13  LEU  57          HD13      LEU  57  17.195  10.089  -0.737
  425   HD21  LEU  57          HD21      LEU  57  15.029  11.731  -2.080
  426   HD22  LEU  57          HD22      LEU  57  15.810  12.086  -0.539
  427   HD23  LEU  57          HD23      LEU  57  14.052  11.972  -0.631
  428    H    THR  58           HN       THR  58  12.645   7.153  -0.959
  429    HA   THR  58           HA       THR  58  10.843   6.754  -3.100
  430    HB   THR  58           HB       THR  58  11.080   4.291  -2.252
  431    HG1  THR  58           HG1      THR  58  13.462   4.841  -1.118
  432   HG21  THR  58          HG21      THR  58  13.476   5.855  -3.209
  433   HG22  THR  58          HG22      THR  58  12.193   5.217  -4.235
  434   HG23  THR  58          HG23      THR  58  13.248   4.113  -3.352
  435    H    ALA  59           HN       ALA  59  10.562   6.282   0.402
  436    HA   ALA  59           HA       ALA  59   8.059   5.112   0.495
  437    HB1  ALA  59           HB1      ALA  59   9.553   5.468   2.457
  438    HB2  ALA  59           HB2      ALA  59   7.884   5.960   2.754
  439    HB3  ALA  59           HB3      ALA  59   9.122   7.177   2.431
  440    H    LEU  60           HN       LEU  60   9.024   8.405  -0.042
  441    HA   LEU  60           HA       LEU  60   6.491   9.603   0.327
  442    HB2  LEU  60           HB2      LEU  60   8.847  10.507  -1.301
  443    HB3  LEU  60           HB1      LEU  60   7.515  11.521  -0.754
  444    HG   LEU  60           HG       LEU  60   9.306  10.042   1.155
  445   HD11  LEU  60          HD11      LEU  60  10.767  11.403  -0.039
  446   HD12  LEU  60          HD12      LEU  60  10.376  12.297   1.432
  447   HD13  LEU  60          HD13      LEU  60   9.607  12.734  -0.098
  448   HD21  LEU  60          HD21      LEU  60   8.490  11.712   2.742
  449   HD22  LEU  60          HD22      LEU  60   7.164  10.777   2.052
  450   HD23  LEU  60          HD23      LEU  60   7.475  12.416   1.482
  451    H    GLU  61           HN       GLU  61   8.281   8.626  -2.625
  452    HA   GLU  61           HA       GLU  61   6.089   9.332  -4.312
  453    HB2  GLU  61           HB2      GLU  61   7.308   7.804  -5.995
  454    HB3  GLU  61           HB1      GLU  61   8.114   9.282  -5.472
  455    HG2  GLU  61           HG2      GLU  61   9.408   7.950  -3.854
  456    HG3  GLU  61           HG1      GLU  61   8.639   6.495  -4.482
  457    H    LEU  62           HN       LEU  62   6.959   6.491  -2.505
  458    HA   LEU  62           HA       LEU  62   5.038   4.743  -3.721
  459    HB2  LEU  62           HB2      LEU  62   6.804   3.801  -2.383
  460    HB3  LEU  62           HB1      LEU  62   6.289   4.724  -0.987
  461    HG   LEU  62           HG       LEU  62   4.177   3.480  -0.930
  462   HD11  LEU  62          HD11      LEU  62   3.909   2.979  -3.250
  463   HD12  LEU  62          HD12      LEU  62   3.954   1.468  -2.335
  464   HD13  LEU  62          HD13      LEU  62   5.368   1.992  -3.247
  465   HD21  LEU  62          HD21      LEU  62   6.553   1.652  -1.035
  466   HD22  LEU  62          HD22      LEU  62   5.068   1.430  -0.105
  467   HD23  LEU  62          HD23      LEU  62   6.181   2.738   0.302
  468    H    ARG  63           HN       ARG  63   5.073   6.753  -0.845
  469    HA   ARG  63           HA       ARG  63   2.501   6.299   0.114
  470    HB2  ARG  63           HB2      ARG  63   3.966   7.550   1.472
  471    HB3  ARG  63           HB1      ARG  63   4.448   8.599   0.149
  472    HG2  ARG  63           HG2      ARG  63   1.893   9.298   0.269
  473    HG3  ARG  63           HG1      ARG  63   2.109   8.778   1.944
  474    HD2  ARG  63           HD2      ARG  63   2.581  11.142   1.764
  475    HD3  ARG  63           HD1      ARG  63   4.063  10.265   2.124
  476    HE   ARG  63           HE       ARG  63   4.846  10.710  -0.051
  477   HH11  ARG  63          HH11      ARG  63   1.681  12.080   0.529
  478   HH12  ARG  63          HH12      ARG  63   1.777  13.194  -0.798
  479   HH21  ARG  63          HH21      ARG  63   4.974  12.172  -1.809
  480   HH22  ARG  63          HH22      ARG  63   3.641  13.234  -2.131
  481    H    ASP  64           HN       ASP  64   3.838   8.598  -2.170
  482    HA   ASP  64           HA       ASP  64   1.581   9.921  -3.012
  483    HB2  ASP  64           HB2      ASP  64   3.947  10.453  -3.589
  484    HB3  ASP  64           HB1      ASP  64   3.915   9.107  -4.716
  485    H    HIS  65           HN       HIS  65   3.018   6.902  -4.147
  486    HA   HIS  65           HA       HIS  65   1.253   6.378  -6.257
  487    HB2  HIS  65           HB2      HIS  65   2.856   4.550  -4.511
  488    HB3  HIS  65           HB1      HIS  65   1.939   3.993  -5.890
  489    HD1  HIS  65           HD1      HIS  65   2.907   6.655  -7.610
  490    HD2  HIS  65           HD2      HIS  65   5.197   3.797  -5.689
  491    HE1  HIS  65           HE1      HIS  65   5.184   6.733  -8.705
  492    HE2  HIS  65           HE2      HIS  65   6.556   5.049  -7.485
  493    H    LEU  66           HN       LEU  66   1.101   5.505  -2.801
  494    HA   LEU  66           HA       LEU  66  -1.088   3.743  -3.081
  495    HB2  LEU  66           HB2      LEU  66   0.115   5.248  -0.799
  496    HB3  LEU  66           HB1      LEU  66  -1.367   4.353  -0.569
  497    HG   LEU  66           HG       LEU  66  -0.319   2.324  -0.615
  498   HD11  LEU  66          HD11      LEU  66   1.836   3.494  -2.361
  499   HD12  LEU  66          HD12      LEU  66   0.492   2.488  -2.904
  500   HD13  LEU  66          HD13      LEU  66   1.726   1.812  -1.843
  501   HD21  LEU  66          HD21      LEU  66   0.713   3.553   1.184
  502   HD22  LEU  66          HD22      LEU  66   1.934   4.193   0.083
  503   HD23  LEU  66          HD23      LEU  66   1.896   2.468   0.450
  504    H    GLN  67           HN       GLN  67  -0.874   7.180  -2.393
  505    HA   GLN  67           HA       GLN  67  -3.671   7.531  -1.881
  506    HB2  GLN  67           HB2      GLN  67  -1.826   9.703  -2.814
  507    HB3  GLN  67           HB1      GLN  67  -3.200   9.829  -1.725
  508    HG2  GLN  67           HG2      GLN  67  -2.044   8.951   0.052
  509    HG3  GLN  67           HG1      GLN  67  -0.887   8.140  -1.010
  510   HE21  GLN  67          HE21      GLN  67  -0.321  10.406  -2.639
  511   HE22  GLN  67          HE22      GLN  67   0.622  11.488  -1.691
  512    H    THR  68           HN       THR  68  -1.576   7.771  -4.676
  513    HA   THR  68           HA       THR  68  -3.500   8.781  -6.455
  514    HB   THR  68           HB       THR  68  -0.825   7.514  -6.545
  515    HG1  THR  68           HG1      THR  68  -0.277   9.459  -7.454
  516   HG21  THR  68          HG21      THR  68  -2.512   7.897  -9.020
  517   HG22  THR  68          HG22      THR  68  -1.941   6.362  -8.363
  518   HG23  THR  68          HG23      THR  68  -0.786   7.532  -9.000
  519    H    ALA  69           HN       ALA  69  -2.243   5.609  -5.758
  520    HA   ALA  69           HA       ALA  69  -3.806   4.059  -7.420
  521    HB1  ALA  69           HB1      ALA  69  -2.667   3.416  -4.725
  522    HB2  ALA  69           HB2      ALA  69  -1.864   3.227  -6.284
  523    HB3  ALA  69           HB3      ALA  69  -3.265   2.228  -5.885
  524    H    THR  70           HN       THR  70  -4.405   4.922  -4.013
  525    HA   THR  70           HA       THR  70  -6.926   3.467  -4.092
  526    HB   THR  70           HB       THR  70  -7.068   3.924  -1.698
  527    HG1  THR  70           HG1      THR  70  -4.579   5.267  -1.807
  528   HG21  THR  70          HG21      THR  70  -5.073   2.769  -0.972
  529   HG22  THR  70          HG22      THR  70  -4.245   3.201  -2.467
  530   HG23  THR  70          HG23      THR  70  -5.616   2.084  -2.504
  531    H    GLY  71           HN       GLY  71  -5.735   6.720  -3.959
  532    HA2  GLY  71           HA2      GLY  71  -6.882   8.667  -4.553
  533    HA3  GLY  71           HA1      GLY  71  -8.397   7.773  -4.489
  534    H    LEU  72           HN       LEU  72  -6.484   7.130  -1.841
  535    HA   LEU  72           HA       LEU  72  -8.230   8.745  -0.144
  536    HB2  LEU  72           HB2      LEU  72  -6.542   6.301   0.286
  537    HB3  LEU  72           HB1      LEU  72  -7.101   7.243   1.650
  538    HG   LEU  72           HG       LEU  72  -8.506   5.265   1.198
  539   HD11  LEU  72          HD11      LEU  72  -9.438   7.268   2.289
  540   HD12  LEU  72          HD12      LEU  72 -10.638   6.346   1.385
  541   HD13  LEU  72          HD13      LEU  72  -9.983   7.841   0.711
  542   HD21  LEU  72          HD21      LEU  72  -9.194   6.666  -1.369
  543   HD22  LEU  72          HD22      LEU  72 -10.006   5.240  -0.725
  544   HD23  LEU  72          HD23      LEU  72  -8.316   5.150  -1.209
  545    H    ASN  73           HN       ASN  73  -6.661   8.897   2.132
  546    HA   ASN  73           HA       ASN  73  -4.548  10.742   1.234
  547    HB2  ASN  73           HB2      ASN  73  -6.673  11.870   2.021
  548    HB3  ASN  73           HB1      ASN  73  -6.352  11.195   3.615
  549   HD21  ASN  73          HD21      ASN  73  -5.382  13.514   1.238
  550   HD22  ASN  73          HD22      ASN  73  -4.288  14.398   2.246
  551    H    LEU  74           HN       LEU  74  -2.819   9.458   1.681
  552    HA   LEU  74           HA       LEU  74  -2.667   8.151   4.265
  553    HB2  LEU  74           HB2      LEU  74  -0.987   7.904   1.780
  554    HB3  LEU  74           HB1      LEU  74  -0.636   7.061   3.282
  555    HG   LEU  74           HG       LEU  74  -3.102   6.187   3.003
  556   HD11  LEU  74          HD11      LEU  74  -3.787   5.870   0.711
  557   HD12  LEU  74          HD12      LEU  74  -2.343   6.707   0.129
  558   HD13  LEU  74          HD13      LEU  74  -3.580   7.596   1.019
  559   HD21  LEU  74          HD21      LEU  74  -2.175   4.303   1.637
  560   HD22  LEU  74          HD22      LEU  74  -1.283   4.703   3.102
  561   HD23  LEU  74          HD23      LEU  74  -0.676   5.221   1.529
  562    H    SER  75           HN       SER  75   0.351   8.166   4.268
  563    HA   SER  75           HA       SER  75   0.635  10.910   5.288
  564    HB2  SER  75           HB2      SER  75  -0.142   9.506   7.154
  565    HB3  SER  75           HB1      SER  75   1.212   8.408   6.896
  566    HG   SER  75           HG       SER  75   1.282  10.293   8.537
  567    H    SER  76           HN       SER  76   2.968  11.326   6.050
  568    HA   SER  76           HA       SER  76   4.663  10.802   3.828
  569    HB2  SER  76           HB2      SER  76   4.723  12.899   5.173
  570    HB3  SER  76           HB1      SER  76   5.414  11.982   6.509
  571    HG   SER  76           HG       SER  76   7.283  12.145   5.589
  572    H    THR  77           HN       THR  77   4.651   9.642   7.176
  573    HA   THR  77           HA       THR  77   6.842   7.789   6.530
  574    HB   THR  77           HB       THR  77   6.895   7.398   9.025
  575    HG1  THR  77           HG1      THR  77   4.929   8.140   9.721
  576   HG21  THR  77          HG21      THR  77   8.043   9.524   9.513
  577   HG22  THR  77          HG22      THR  77   7.359  10.211   8.038
  578   HG23  THR  77          HG23      THR  77   8.497   8.868   7.939
  579    H    LEU  78           HN       LEU  78   4.267   7.540   5.553
  580    HA   LEU  78           HA       LEU  78   2.377   6.033   6.821
  581    HB2  LEU  78           HB2      LEU  78   2.240   7.139   4.628
  582    HB3  LEU  78           HB1      LEU  78   3.292   5.923   3.964
  583    HG   LEU  78           HG       LEU  78   0.689   5.874   3.619
  584   HD11  LEU  78          HD11      LEU  78   2.107   4.356   2.522
  585   HD12  LEU  78          HD12      LEU  78   0.859   3.404   3.344
  586   HD13  LEU  78          HD13      LEU  78   2.479   3.511   4.034
  587   HD21  LEU  78          HD21      LEU  78   1.117   4.670   6.311
  588   HD22  LEU  78          HD22      LEU  78  -0.162   4.070   5.251
  589   HD23  LEU  78          HD23      LEU  78  -0.154   5.761   5.750
  590    H    ILE  79           HN       ILE  79   4.885   4.694   4.683
  591    HA   ILE  79           HA       ILE  79   4.340   1.989   5.498
  592    HB   ILE  79           HB       ILE  79   6.129   1.383   4.000
  593   HG12  ILE  79          HG12      ILE  79   6.754   4.321   4.029
  594   HG13  ILE  79          HG11      ILE  79   7.831   2.978   4.403
  595   HG21  ILE  79          HG21      ILE  79   5.356   2.479   1.941
  596   HG22  ILE  79          HG22      ILE  79   4.425   3.617   2.924
  597   HG23  ILE  79          HG23      ILE  79   4.032   1.893   2.950
  598   HD11  ILE  79          HD11      ILE  79   8.435   3.786   2.276
  599   HD12  ILE  79          HD12      ILE  79   6.755   3.821   1.742
  600   HD13  ILE  79          HD13      ILE  79   7.569   2.273   2.006
  601    H    PHE  80           HN       PHE  80   5.740   4.247   7.247
  602    HA   PHE  80           HA       PHE  80   7.557   2.312   8.501
  603    HB2  PHE  80           HB2      PHE  80   7.717   5.334   8.531
  604    HB3  PHE  80           HB1      PHE  80   8.784   4.260   9.428
  605    HD1  PHE  80           HD1      PHE  80   9.038   6.353   6.921
  606    HD2  PHE  80           HD2      PHE  80   9.328   2.146   7.492
  607    HE1  PHE  80           HE1      PHE  80  10.463   6.181   4.926
  608    HE2  PHE  80           HE2      PHE  80  10.750   1.953   5.494
  609    HZ   PHE  80           HZ       PHE  80  11.328   3.986   4.211
  610    H    ASP  81           HN       ASP  81   4.756   4.081   8.608
  611    HA   ASP  81           HA       ASP  81   4.285   3.918  11.446
  612    HB2  ASP  81           HB2      ASP  81   3.201   5.534   9.657
  613    HB3  ASP  81           HB1      ASP  81   2.161   4.159   9.369
  614    H    HIS  82           HN       HIS  82   3.555   2.340   8.472
  615    HA   HIS  82           HA       HIS  82   2.630  -0.066   9.857
  616    HB2  HIS  82           HB2      HIS  82   1.816   0.850   7.094
  617    HB3  HIS  82           HB1      HIS  82   1.095  -0.436   8.054
  618    HD1  HIS  82           HD1      HIS  82  -0.394   0.311  10.093
  619    HD2  HIS  82           HD2      HIS  82   0.958   3.407   7.666
  620    HE1  HIS  82           HE1      HIS  82  -1.697   2.335  10.797
  621    HE2  HIS  82           HE2      HIS  82  -0.665   4.233   9.501
  622    HA   PRO  83           HA       PRO  83   6.620  -1.020   8.460
  623    HB2  PRO  83           HB2      PRO  83   6.606  -3.706   9.055
  624    HB3  PRO  83           HB1      PRO  83   6.822  -2.425  10.254
  625    HG2  PRO  83           HG2      PRO  83   4.323  -3.922   9.505
  626    HG3  PRO  83           HG1      PRO  83   4.938  -3.499  11.120
  627    HD2  PRO  83           HD2      PRO  83   2.992  -2.067   9.966
  628    HD3  PRO  83           HD1      PRO  83   4.252  -1.284  10.930
  629    H    THR  84           HN       THR  84   4.046  -3.206   7.339
  630    HA   THR  84           HA       THR  84   5.740  -3.811   5.029
  631    HB   THR  84           HB       THR  84   4.694  -6.013   4.957
  632    HG1  THR  84           HG1      THR  84   3.603  -6.066   7.421
  633   HG21  THR  84          HG21      THR  84   5.800  -5.384   7.700
  634   HG22  THR  84          HG22      THR  84   6.762  -5.732   6.265
  635   HG23  THR  84          HG23      THR  84   5.722  -6.982   6.953
  636    HA   PRO  85           HA       PRO  85   2.446  -2.605   2.293
  637    HB2  PRO  85           HB2      PRO  85   2.786  -5.236   0.975
  638    HB3  PRO  85           HB1      PRO  85   2.905  -3.622   0.280
  639    HG2  PRO  85           HG2      PRO  85   5.073  -5.140   0.706
  640    HG3  PRO  85           HG1      PRO  85   5.111  -3.376   0.877
  641    HD2  PRO  85           HD2      PRO  85   5.059  -5.477   2.978
  642    HD3  PRO  85           HD1      PRO  85   5.848  -3.893   2.986
  643    H    HIS  86           HN       HIS  86   2.582  -5.480   4.052
  644    HA   HIS  86           HA       HIS  86  -0.144  -6.318   3.681
  645    HB2  HIS  86           HB2      HIS  86   1.200  -8.065   4.398
  646    HB3  HIS  86           HB1      HIS  86   2.141  -7.044   5.458
  647    HD1  HIS  86           HD1      HIS  86  -0.617  -9.448   5.464
  648    HD2  HIS  86           HD2      HIS  86   0.778  -6.399   7.938
  649    HE1  HIS  86           HE1      HIS  86  -1.652  -9.882   7.712
  650    HE2  HIS  86           HE2      HIS  86  -0.861  -7.992   9.178
  651    H    ALA  87           HN       ALA  87   1.698  -4.541   6.088
  652    HA   ALA  87           HA       ALA  87  -0.508  -4.043   7.840
  653    HB1  ALA  87           HB1      ALA  87   1.839  -4.126   8.610
  654    HB2  ALA  87           HB2      ALA  87   1.043  -2.616   9.044
  655    HB3  ALA  87           HB3      ALA  87   2.168  -2.658   7.687
  656    H    VAL  88           HN       VAL  88   0.778  -2.651   5.060
  657    HA   VAL  88           HA       VAL  88  -0.369  -0.024   5.498
  658    HB   VAL  88           HB       VAL  88   1.117  -1.252   3.199
  659   HG11  VAL  88          HG11      VAL  88   1.175   1.010   2.224
  660   HG12  VAL  88          HG12      VAL  88   0.036   1.534   3.465
  661   HG13  VAL  88          HG13      VAL  88  -0.442   0.312   2.287
  662   HG21  VAL  88          HG21      VAL  88   2.501  -0.787   5.123
  663   HG22  VAL  88          HG22      VAL  88   1.895   0.874   5.182
  664   HG23  VAL  88          HG23      VAL  88   2.878   0.340   3.820
  665    H    ALA  89           HN       ALA  89  -0.843  -2.803   3.377
  666    HA   ALA  89           HA       ALA  89  -2.991  -1.751   1.933
  667    HB1  ALA  89           HB1      ALA  89  -2.379  -4.614   2.632
  668    HB2  ALA  89           HB2      ALA  89  -1.888  -3.735   1.180
  669    HB3  ALA  89           HB3      ALA  89  -3.591  -4.096   1.457
  670    H    GLU  90           HN       GLU  90  -2.938  -3.520   5.058
  671    HA   GLU  90           HA       GLU  90  -5.802  -3.515   5.229
  672    HB2  GLU  90           HB2      GLU  90  -5.404  -4.100   7.624
  673    HB3  GLU  90           HB1      GLU  90  -4.610  -5.175   6.480
  674    HG2  GLU  90           HG2      GLU  90  -2.507  -4.140   6.861
  675    HG3  GLU  90           HG1      GLU  90  -3.243  -2.877   7.843
  676    H    HIS  91           HN       HIS  91  -3.227  -1.369   6.096
  677    HA   HIS  91           HA       HIS  91  -4.689   0.444   7.650
  678    HB2  HIS  91           HB2      HIS  91  -2.339   0.641   7.725
  679    HB3  HIS  91           HB1      HIS  91  -2.206   0.714   5.964
  680    HD1  HIS  91           HD1      HIS  91  -3.539   2.810   8.849
  681    HD2  HIS  91           HD2      HIS  91  -2.181   3.196   4.941
  682    HE1  HIS  91           HE1      HIS  91  -3.449   5.281   8.414
  683    HE2  HIS  91           HE2      HIS  91  -2.738   5.502   6.011
  684    H    LEU  92           HN       LEU  92  -4.537  -0.163   4.253
  685    HA   LEU  92           HA       LEU  92  -5.681   2.317   3.467
  686    HB2  LEU  92           HB2      LEU  92  -4.956  -0.232   2.136
  687    HB3  LEU  92           HB1      LEU  92  -6.207   0.740   1.365
  688    HG   LEU  92           HG       LEU  92  -4.755   2.511   0.937
  689   HD11  LEU  92          HD11      LEU  92  -2.405   2.517   1.960
  690   HD12  LEU  92          HD12      LEU  92  -3.065   1.388   3.142
  691   HD13  LEU  92          HD13      LEU  92  -3.755   3.005   2.983
  692   HD21  LEU  92          HD21      LEU  92  -3.039   0.050   0.777
  693   HD22  LEU  92          HD22      LEU  92  -2.783   1.553  -0.109
  694   HD23  LEU  92          HD23      LEU  92  -4.215   0.573  -0.429
  695    H    LEU  93           HN       LEU  93  -6.900  -0.480   4.885
  696    HA   LEU  93           HA       LEU  93  -9.608  -0.314   3.940
  697    HB2  LEU  93           HB2      LEU  93  -8.361  -1.686   6.296
  698    HB3  LEU  93           HB1      LEU  93 -10.088  -1.695   6.025
  699    HG   LEU  93           HG       LEU  93  -9.918  -3.107   4.175
  700   HD11  LEU  93          HD11      LEU  93  -7.766  -3.655   3.078
  701   HD12  LEU  93          HD12      LEU  93  -6.982  -2.422   4.076
  702   HD13  LEU  93          HD13      LEU  93  -8.223  -1.959   2.910
  703   HD21  LEU  93          HD21      LEU  93  -8.601  -4.977   4.948
  704   HD22  LEU  93          HD22      LEU  93  -9.389  -4.188   6.315
  705   HD23  LEU  93          HD23      LEU  93  -7.672  -3.913   6.007
  706    H    GLU  94           HN       GLU  94  -7.705   0.967   6.489
  707    HA   GLU  94           HA       GLU  94  -9.645   2.024   8.202
  708    HB2  GLU  94           HB2      GLU  94  -6.824   2.673   7.487
  709    HB3  GLU  94           HB1      GLU  94  -7.712   3.787   8.530
  710    HG2  GLU  94           HG2      GLU  94  -7.371   0.853   9.093
  711    HG3  GLU  94           HG1      GLU  94  -6.313   2.112   9.728
  712    H    GLN  95           HN       GLN  95  -8.408   3.062   5.139
  713    HA   GLN  95           HA       GLN  95  -9.422   5.740   5.281
  714    HB2  GLN  95           HB2      GLN  95  -8.559   4.297   2.798
  715    HB3  GLN  95           HB1      GLN  95  -8.345   5.993   3.214
  716    HG2  GLN  95           HG2      GLN  95  -6.943   3.741   4.622
  717    HG3  GLN  95           HG1      GLN  95  -6.265   4.607   3.253
  718   HE21  GLN  95          HE21      GLN  95  -5.487   4.336   6.089
  719   HE22  GLN  95          HE22      GLN  95  -5.304   5.954   6.674
  720    H    ILE  96           HN       ILE  96 -10.573   2.662   4.404
  721    HA   ILE  96           HA       ILE  96 -12.315   3.409   2.289
  722    HB   ILE  96           HB       ILE  96 -12.117   0.881   3.900
  723   HG12  ILE  96          HG12      ILE  96 -10.040   1.666   2.861
  724   HG13  ILE  96          HG11      ILE  96 -10.595   0.156   2.182
  725   HG21  ILE  96          HG21      ILE  96 -13.177  -0.262   2.115
  726   HG22  ILE  96          HG22      ILE  96 -13.186   1.190   1.118
  727   HG23  ILE  96          HG23      ILE  96 -14.207   1.100   2.555
  728   HD11  ILE  96          HD11      ILE  96 -11.074   2.847   0.929
  729   HD12  ILE  96          HD12      ILE  96 -11.367   1.264   0.207
  730   HD13  ILE  96          HD13      ILE  96  -9.712   1.795   0.527
  731    HA   PRO  97           HA       PRO  97 -15.825   4.694   4.539
  732    HB2  PRO  97           HB2      PRO  97 -17.605   4.693   2.565
  733    HB3  PRO  97           HB1      PRO  97 -16.191   5.756   2.517
  734    HG2  PRO  97           HG2      PRO  97 -16.557   3.077   1.223
  735    HG3  PRO  97           HG1      PRO  97 -16.001   4.584   0.487
  736    HD2  PRO  97           HD2      PRO  97 -14.293   2.688   1.329
  737    HD3  PRO  97           HD1      PRO  97 -13.909   4.407   1.417
  738    H    GLY  98           HN       GLY  98 -15.891   2.617   5.869
  739    HA2  GLY  98           HA2      GLY  98 -17.481   1.341   6.972
  740    HA3  GLY  98           HA1      GLY  98 -18.610   1.681   5.676
  741    H    ILE  99           HN       ILE  99 -17.538   0.608   3.491
  742    HA   ILE  99           HA       ILE  99 -17.959  -2.140   3.670
  743    HB   ILE  99           HB       ILE  99 -16.427  -2.083   1.484
  744   HG12  ILE  99          HG12      ILE  99 -17.467   0.692   1.325
  745   HG13  ILE  99          HG11      ILE  99 -16.014   0.439   2.283
  746   HG21  ILE  99          HG21      ILE  99 -19.203  -0.928   1.679
  747   HG22  ILE  99          HG22      ILE  99 -18.783  -2.632   1.510
  748   HG23  ILE  99          HG23      ILE  99 -18.440  -1.505   0.198
  749   HD11  ILE  99          HD11      ILE  99 -14.968  -0.631   0.322
  750   HD12  ILE  99          HD12      ILE  99 -15.388   1.067   0.081
  751   HD13  ILE  99          HD13      ILE  99 -16.398  -0.203  -0.627
  752    H    GLY 100           HN       GLY 100 -15.066  -0.274   4.140
  753    HA2  GLY 100           HA2      GLY 100 -13.541  -2.759   4.527
  754    HA3  GLY 100           HA1      GLY 100 -12.835  -1.247   3.960
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -4.247  11.616  -2.786
    2    H2   GLY   1           HT2      GLY   1  -3.336  12.110  -4.121
    3    H3   GLY   1           HT3      GLY   1  -4.501  10.898  -4.297
    4    HA2  GLY   1           HA1      GLY   1  -5.019  13.743  -3.652
    5    HA3  GLY   1           HA2      GLY   1  -5.330  12.961  -5.194
    6    H    SER   2           HN       SER   2  -7.467  14.094  -4.354
    7    HA   SER   2           HA       SER   2  -8.962  12.383  -2.543
    8    HB2  SER   2           HB2      SER   2 -10.763  14.158  -2.978
    9    HB3  SER   2           HB1      SER   2  -9.304  14.689  -2.141
   10    HG   SER   2           HG       SER   2 -10.253  15.342  -4.656
   11    H    THR   3           HN       THR   3  -9.928  10.642  -3.326
   12    HA   THR   3           HA       THR   3 -11.625  10.827  -5.652
   13    HB   THR   3           HB       THR   3  -9.160   9.091  -5.664
   14    HG1  THR   3           HG1      THR   3  -9.790  11.409  -6.786
   15   HG21  THR   3          HG21      THR   3 -11.574   8.877  -7.461
   16   HG22  THR   3          HG22      THR   3 -11.029   7.675  -6.285
   17   HG23  THR   3          HG23      THR   3 -10.042   8.038  -7.706
   18    H    ALA   4           HN       ALA   4  -9.993   8.146  -4.037
   19    HA   ALA   4           HA       ALA   4 -10.659   6.391  -2.837
   20    HB1  ALA   4           HB1      ALA   4 -12.528   6.567  -1.334
   21    HB2  ALA   4           HB2      ALA   4 -13.172   7.938  -2.238
   22    HB3  ALA   4           HB3      ALA   4 -11.652   8.097  -1.357
   23    H    THR   5           HN       THR   5 -13.672   7.505  -4.419
   24    HA   THR   5           HA       THR   5 -14.955   5.132  -4.769
   25    HB   THR   5           HB       THR   5 -14.863   7.203  -6.956
   26    HG1  THR   5           HG1      THR   5 -15.895   8.549  -5.654
   27   HG21  THR   5          HG21      THR   5 -17.198   6.590  -7.272
   28   HG22  THR   5          HG22      THR   5 -17.109   5.465  -5.917
   29   HG23  THR   5          HG23      THR   5 -16.182   5.151  -7.385
   30    H    LEU   6           HN       LEU   6 -12.109   6.098  -6.470
   31    HA   LEU   6           HA       LEU   6 -12.112   4.275  -8.582
   32    HB2  LEU   6           HB2      LEU   6 -10.462   5.976  -8.514
   33    HB3  LEU   6           HB1      LEU   6  -9.948   5.505  -6.906
   34    HG   LEU   6           HG       LEU   6  -8.972   3.439  -7.822
   35   HD11  LEU   6          HD11      LEU   6  -9.778   4.594 -10.492
   36   HD12  LEU   6          HD12      LEU   6 -10.433   3.137  -9.745
   37   HD13  LEU   6          HD13      LEU   6  -8.744   3.187 -10.250
   38   HD21  LEU   6          HD21      LEU   6  -7.083   4.495  -8.915
   39   HD22  LEU   6          HD22      LEU   6  -7.642   5.494  -7.572
   40   HD23  LEU   6          HD23      LEU   6  -8.043   5.940  -9.230
   41    H    LEU   7           HN       LEU   7 -10.285   3.925  -5.546
   42    HA   LEU   7           HA       LEU   7 -10.049   1.093  -5.956
   43    HB2  LEU   7           HB2      LEU   7  -8.628   3.054  -4.578
   44    HB3  LEU   7           HB1      LEU   7  -9.293   2.021  -3.328
   45    HG   LEU   7           HG       LEU   7  -7.003   1.358  -4.077
   46   HD11  LEU   7          HD11      LEU   7  -8.608  -0.153  -2.974
   47   HD12  LEU   7          HD12      LEU   7  -7.511  -0.999  -4.069
   48   HD13  LEU   7          HD13      LEU   7  -9.177  -0.672  -4.560
   49   HD21  LEU   7          HD21      LEU   7  -6.656   0.361  -6.193
   50   HD22  LEU   7          HD22      LEU   7  -7.502   1.880  -6.516
   51   HD23  LEU   7          HD23      LEU   7  -8.381   0.352  -6.556
   52    H    THR   8           HN       THR   8 -11.915   3.231  -3.962
   53    HA   THR   8           HA       THR   8 -12.821   1.484  -1.996
   54    HB   THR   8           HB       THR   8 -14.091   3.874  -3.284
   55    HG1  THR   8           HG1      THR   8 -12.168   3.568  -1.516
   56   HG21  THR   8          HG21      THR   8 -15.044   2.439  -0.804
   57   HG22  THR   8          HG22      THR   8 -15.882   2.462  -2.355
   58   HG23  THR   8          HG23      THR   8 -15.685   3.955  -1.436
   59    H    SER   9           HN       SER   9 -13.868   1.909  -5.305
   60    HA   SER   9           HA       SER   9 -16.201   0.286  -5.104
   61    HB2  SER   9           HB2      SER   9 -14.572   1.322  -7.420
   62    HB3  SER   9           HB1      SER   9 -16.027   0.339  -7.645
   63    HG   SER   9           HG       SER   9 -15.753   2.974  -6.959
   64    H    LYS  10           HN       LYS  10 -12.844  -0.357  -5.402
   65    HA   LYS  10           HA       LYS  10 -13.016  -3.042  -6.369
   66    HB2  LYS  10           HB2      LYS  10 -10.930  -1.486  -6.234
   67    HB3  LYS  10           HB1      LYS  10 -10.866  -1.956  -4.541
   68    HG2  LYS  10           HG2      LYS  10  -9.900  -3.343  -6.878
   69    HG3  LYS  10           HG1      LYS  10  -9.551  -3.622  -5.181
   70    HD2  LYS  10           HD2      LYS  10 -10.514  -5.609  -5.691
   71    HD3  LYS  10           HD1      LYS  10 -11.964  -4.702  -5.261
   72    HE2  LYS  10           HE2      LYS  10 -12.471  -5.815  -7.258
   73    HE3  LYS  10           HE1      LYS  10 -12.171  -4.140  -7.715
   74    HZ1  LYS  10           HZ1      LYS  10 -11.075  -5.609  -9.251
   75    HZ2  LYS  10           HZ2      LYS  10 -10.268  -6.403  -7.997
   76    HZ3  LYS  10           HZ3      LYS  10  -9.901  -4.790  -8.350
   77    H    LEU  11           HN       LEU  11 -12.474  -1.623  -3.171
   78    HA   LEU  11           HA       LEU  11 -12.492  -4.029  -1.744
   79    HB2  LEU  11           HB2      LEU  11 -13.256  -1.294  -0.737
   80    HB3  LEU  11           HB1      LEU  11 -12.883  -2.673   0.268
   81    HG   LEU  11           HG       LEU  11 -10.881  -1.584   0.356
   82   HD11  LEU  11          HD11      LEU  11 -10.561  -3.074  -2.236
   83   HD12  LEU  11          HD12      LEU  11 -10.574  -3.827  -0.635
   84   HD13  LEU  11          HD13      LEU  11  -9.294  -2.686  -1.064
   85   HD21  LEU  11          HD21      LEU  11 -11.718   0.197  -1.245
   86   HD22  LEU  11          HD22      LEU  11 -11.011  -0.780  -2.536
   87   HD23  LEU  11          HD23      LEU  11  -9.985  -0.127  -1.255
   88    H    ALA  12           HN       ALA  12 -15.060  -2.031  -2.873
   89    HA   ALA  12           HA       ALA  12 -17.232  -2.896  -1.416
   90    HB1  ALA  12           HB1      ALA  12 -17.058  -2.361  -4.382
   91    HB2  ALA  12           HB2      ALA  12 -17.341  -1.157  -3.121
   92    HB3  ALA  12           HB3      ALA  12 -18.547  -2.404  -3.437
   93    H    GLY  13           HN       GLY  13 -15.466  -4.537  -3.962
   94    HA2  GLY  13           HA2      GLY  13 -17.405  -6.688  -4.159
   95    HA3  GLY  13           HA1      GLY  13 -15.914  -6.522  -5.078
   96    H    LEU  14           HN       LEU  14 -14.841  -6.000  -2.097
   97    HA   LEU  14           HA       LEU  14 -14.162  -8.822  -1.732
   98    HB2  LEU  14           HB2      LEU  14 -12.795  -6.322  -0.864
   99    HB3  LEU  14           HB1      LEU  14 -12.325  -7.881  -0.302
  100    HG   LEU  14           HG       LEU  14 -10.838  -7.750  -1.949
  101   HD11  LEU  14          HD11      LEU  14 -11.567  -8.748  -4.033
  102   HD12  LEU  14          HD12      LEU  14 -13.249  -8.409  -3.617
  103   HD13  LEU  14          HD13      LEU  14 -12.312  -9.551  -2.647
  104   HD21  LEU  14          HD21      LEU  14 -12.714  -5.852  -3.304
  105   HD22  LEU  14          HD22      LEU  14 -11.132  -6.310  -3.926
  106   HD23  LEU  14          HD23      LEU  14 -11.262  -5.461  -2.383
  107    H    THR  15           HN       THR  15 -13.691  -9.468   0.411
  108    HA   THR  15           HA       THR  15 -15.367  -8.272   2.481
  109    HB   THR  15           HB       THR  15 -14.854 -10.266   3.766
  110    HG1  THR  15           HG1      THR  15 -13.420 -11.854   2.439
  111   HG21  THR  15          HG21      THR  15 -16.573 -10.577   2.080
  112   HG22  THR  15          HG22      THR  15 -15.612 -12.051   2.207
  113   HG23  THR  15          HG23      THR  15 -15.349 -10.936   0.861
  114    H    ALA  16           HN       ALA  16 -14.115  -7.964   4.640
  115    HA   ALA  16           HA       ALA  16 -12.161  -6.053   4.314
  116    HB1  ALA  16           HB1      ALA  16 -11.629  -6.345   6.666
  117    HB2  ALA  16           HB2      ALA  16 -12.410  -7.926   6.672
  118    HB3  ALA  16           HB3      ALA  16 -13.370  -6.469   6.419
  119    H    THR  17           HN       THR  17 -11.724  -9.536   4.632
  120    HA   THR  17           HA       THR  17  -8.912  -9.544   4.825
  121    HB   THR  17           HB       THR  17 -10.704 -11.722   3.741
  122    HG1  THR  17           HG1      THR  17  -9.863 -11.134   6.409
  123   HG21  THR  17          HG21      THR  17  -7.954 -11.822   4.976
  124   HG22  THR  17          HG22      THR  17  -8.337 -12.070   3.273
  125   HG23  THR  17          HG23      THR  17  -8.911 -13.219   4.484
  126    H    GLU  18           HN       GLU  18 -11.082  -9.922   2.010
  127    HA   GLU  18           HA       GLU  18  -8.958 -10.289   0.188
  128    HB2  GLU  18           HB2      GLU  18 -11.833  -9.535  -0.242
  129    HB3  GLU  18           HB1      GLU  18 -10.717 -10.024  -1.494
  130    HG2  GLU  18           HG2      GLU  18 -10.517 -12.212  -0.470
  131    HG3  GLU  18           HG1      GLU  18 -11.603 -11.704   0.819
  132    H    GLN  19           HN       GLN  19 -10.703  -7.564   1.452
  133    HA   GLN  19           HA       GLN  19  -9.765  -5.587  -0.309
  134    HB2  GLN  19           HB2      GLN  19 -10.436  -5.422   2.628
  135    HB3  GLN  19           HB1      GLN  19 -10.265  -4.044   1.560
  136    HG2  GLN  19           HG2      GLN  19 -12.121  -4.778   0.251
  137    HG3  GLN  19           HG1      GLN  19 -12.255  -6.244   1.194
  138   HE21  GLN  19          HE21      GLN  19 -14.272  -4.332   0.721
  139   HE22  GLN  19          HE22      GLN  19 -14.737  -3.694   2.263
  140    H    ARG  20           HN       ARG  20  -8.432  -6.988   2.639
  141    HA   ARG  20           HA       ARG  20  -6.012  -5.559   2.742
  142    HB2  ARG  20           HB2      ARG  20  -6.068  -8.520   3.261
  143    HB3  ARG  20           HB1      ARG  20  -5.157  -7.274   4.102
  144    HG2  ARG  20           HG2      ARG  20  -7.208  -6.465   5.110
  145    HG3  ARG  20           HG1      ARG  20  -8.134  -7.700   4.254
  146    HD2  ARG  20           HD2      ARG  20  -7.759  -8.414   6.518
  147    HD3  ARG  20           HD1      ARG  20  -6.812  -9.419   5.431
  148    HE   ARG  20           HE       ARG  20  -5.228  -7.287   6.379
  149   HH11  ARG  20          HH11      ARG  20  -6.687 -10.279   7.446
  150   HH12  ARG  20          HH12      ARG  20  -5.502 -10.569   8.679
  151   HH21  ARG  20          HH21      ARG  20  -3.657  -7.661   8.026
  152   HH22  ARG  20          HH22      ARG  20  -3.792  -9.099   9.001
  153    H    ALA  21           HN       ALA  21  -6.936  -8.478   1.033
  154    HA   ALA  21           HA       ALA  21  -4.414  -9.154   0.006
  155    HB1  ALA  21           HB1      ALA  21  -7.116  -9.851  -1.120
  156    HB2  ALA  21           HB2      ALA  21  -6.289 -10.718   0.175
  157    HB3  ALA  21           HB3      ALA  21  -5.597 -10.688  -1.448
  158    H    VAL  22           HN       VAL  22  -6.984  -7.200  -1.418
  159    HA   VAL  22           HA       VAL  22  -5.884  -7.237  -4.022
  160    HB   VAL  22           HB       VAL  22  -7.400  -5.253  -4.454
  161   HG11  VAL  22          HG11      VAL  22  -8.807  -7.602  -3.202
  162   HG12  VAL  22          HG12      VAL  22  -7.984  -7.691  -4.761
  163   HG13  VAL  22          HG13      VAL  22  -9.350  -6.593  -4.552
  164   HG21  VAL  22          HG21      VAL  22  -7.490  -4.324  -2.221
  165   HG22  VAL  22          HG22      VAL  22  -8.203  -5.812  -1.597
  166   HG23  VAL  22          HG23      VAL  22  -9.111  -4.804  -2.725
  167    H    THR  23           HN       THR  23  -5.624  -4.760  -1.438
  168    HA   THR  23           HA       THR  23  -3.672  -3.474  -3.165
  169    HB   THR  23           HB       THR  23  -5.102  -1.921  -2.270
  170    HG1  THR  23           HG1      THR  23  -3.144  -1.209  -0.558
  171   HG21  THR  23          HG21      THR  23  -4.345  -2.744   0.504
  172   HG22  THR  23          HG22      THR  23  -5.854  -3.202  -0.280
  173   HG23  THR  23          HG23      THR  23  -5.510  -1.502   0.058
  174    H    ARG  24           HN       ARG  24  -3.638  -5.726  -0.597
  175    HA   ARG  24           HA       ARG  24  -0.939  -5.320   0.173
  176    HB2  ARG  24           HB2      ARG  24  -2.281  -7.004   1.304
  177    HB3  ARG  24           HB1      ARG  24  -2.523  -7.874  -0.200
  178    HG2  ARG  24           HG2      ARG  24   0.143  -7.925  -0.109
  179    HG3  ARG  24           HG1      ARG  24  -0.202  -7.833   1.621
  180    HD2  ARG  24           HD2      ARG  24  -1.584  -9.791   1.502
  181    HD3  ARG  24           HD1      ARG  24  -1.442  -9.826  -0.251
  182    HE   ARG  24           HE       ARG  24   0.717 -10.445   1.647
  183   HH11  ARG  24          HH11      ARG  24  -0.647 -10.587  -1.585
  184   HH12  ARG  24          HH12      ARG  24   0.538 -11.710  -2.165
  185   HH21  ARG  24          HH21      ARG  24   2.257 -11.940   0.871
  186   HH22  ARG  24          HH22      ARG  24   2.175 -12.492  -0.771
  187    H    LYS  25           HN       LYS  25  -2.497  -6.093  -2.682
  188    HA   LYS  25           HA       LYS  25  -0.117  -6.974  -4.063
  189    HB2  LYS  25           HB2      LYS  25  -1.862  -8.253  -4.807
  190    HB3  LYS  25           HB1      LYS  25  -3.054  -7.021  -4.470
  191    HG2  LYS  25           HG2      LYS  25  -2.977  -7.449  -6.818
  192    HG3  LYS  25           HG1      LYS  25  -2.383  -5.828  -6.481
  193    HD2  LYS  25           HD2      LYS  25  -0.059  -6.710  -6.643
  194    HD3  LYS  25           HD1      LYS  25  -0.730  -8.275  -7.109
  195    HE2  LYS  25           HE2      LYS  25  -1.066  -5.674  -8.593
  196    HE3  LYS  25           HE1      LYS  25  -0.034  -7.019  -9.069
  197    HZ1  LYS  25           HZ1      LYS  25  -2.106  -7.040 -10.292
  198    HZ2  LYS  25           HZ2      LYS  25  -2.995  -7.096  -8.857
  199    HZ3  LYS  25           HZ3      LYS  25  -2.010  -8.401  -9.293
  200    H    LEU  26           HN       LEU  26  -2.409  -4.237  -3.814
  201    HA   LEU  26           HA       LEU  26  -1.269  -2.769  -5.952
  202    HB2  LEU  26           HB2      LEU  26  -3.551  -2.399  -5.316
  203    HB3  LEU  26           HB1      LEU  26  -3.072  -1.955  -3.696
  204    HG   LEU  26           HG       LEU  26  -3.784  -0.107  -5.314
  205   HD11  LEU  26          HD11      LEU  26  -2.471   1.446  -4.147
  206   HD12  LEU  26          HD12      LEU  26  -1.179   0.269  -3.907
  207   HD13  LEU  26          HD13      LEU  26  -2.717   0.069  -3.065
  208   HD21  LEU  26          HD21      LEU  26  -2.025   0.857  -6.666
  209   HD22  LEU  26          HD22      LEU  26  -2.416  -0.779  -7.205
  210   HD23  LEU  26          HD23      LEU  26  -0.962  -0.490  -6.249
  211    H    VAL  27           HN       VAL  27  -0.963  -2.291  -2.379
  212    HA   VAL  27           HA       VAL  27   0.856  -0.175  -2.564
  213    HB   VAL  27           HB       VAL  27  -0.081  -0.637  -0.391
  214   HG11  VAL  27          HG11      VAL  27   0.671  -2.644   0.902
  215   HG12  VAL  27          HG12      VAL  27   1.308  -3.291  -0.613
  216   HG13  VAL  27          HG13      VAL  27  -0.417  -2.982  -0.444
  217   HG21  VAL  27          HG21      VAL  27   2.159   0.374  -0.413
  218   HG22  VAL  27          HG22      VAL  27   2.881  -1.239  -0.346
  219   HG23  VAL  27          HG23      VAL  27   1.920  -0.643   1.010
  220    H    LEU  28           HN       LEU  28   1.240  -3.581  -2.640
  221    HA   LEU  28           HA       LEU  28   4.006  -3.858  -2.698
  222    HB2  LEU  28           HB2      LEU  28   1.905  -5.518  -2.693
  223    HB3  LEU  28           HB1      LEU  28   2.293  -5.581  -4.397
  224    HG   LEU  28           HG       LEU  28   4.444  -6.519  -3.952
  225   HD11  LEU  28          HD11      LEU  28   3.803  -5.908  -1.085
  226   HD12  LEU  28          HD12      LEU  28   5.122  -5.258  -2.063
  227   HD13  LEU  28          HD13      LEU  28   5.127  -6.958  -1.596
  228   HD21  LEU  28          HD21      LEU  28   2.232  -7.730  -2.302
  229   HD22  LEU  28          HD22      LEU  28   3.775  -8.538  -2.603
  230   HD23  LEU  28          HD23      LEU  28   2.705  -8.148  -3.953
  231    H    ASP  29           HN       ASP  29   1.663  -3.457  -5.272
  232    HA   ASP  29           HA       ASP  29   3.463  -3.675  -7.446
  233    HB2  ASP  29           HB2      ASP  29   0.943  -3.943  -7.508
  234    HB3  ASP  29           HB1      ASP  29   0.838  -2.196  -7.412
  235    H    GLN  30           HN       GLN  30   2.069  -0.964  -5.687
  236    HA   GLN  30           HA       GLN  30   3.241   1.111  -7.137
  237    HB2  GLN  30           HB2      GLN  30   2.609   0.984  -4.211
  238    HB3  GLN  30           HB1      GLN  30   2.805   2.444  -5.165
  239    HG2  GLN  30           HG2      GLN  30   0.613   0.398  -5.426
  240    HG3  GLN  30           HG1      GLN  30   0.489   2.047  -4.824
  241   HE21  GLN  30          HE21      GLN  30   0.847   0.038  -7.624
  242   HE22  GLN  30          HE22      GLN  30   0.482   1.259  -8.796
  243    H    ALA  31           HN       ALA  31   4.303  -0.611  -4.263
  244    HA   ALA  31           HA       ALA  31   6.691   0.810  -3.783
  245    HB1  ALA  31           HB1      ALA  31   7.299  -1.099  -2.412
  246    HB2  ALA  31           HB2      ALA  31   6.067  -2.089  -3.207
  247    HB3  ALA  31           HB3      ALA  31   5.586  -0.728  -2.187
  248    H    ALA  32           HN       ALA  32   5.807  -1.765  -5.873
  249    HA   ALA  32           HA       ALA  32   8.384  -2.569  -6.696
  250    HB1  ALA  32           HB1      ALA  32   6.878  -3.324  -8.738
  251    HB2  ALA  32           HB2      ALA  32   5.557  -2.899  -7.634
  252    HB3  ALA  32           HB3      ALA  32   6.758  -4.120  -7.170
  253    H    SER  33           HN       SER  33   5.966  -0.320  -7.969
  254    HA   SER  33           HA       SER  33   7.329   0.496 -10.270
  255    HB2  SER  33           HB2      SER  33   5.039   1.084 -10.037
  256    HB3  SER  33           HB1      SER  33   5.313   1.833  -8.465
  257    HG   SER  33           HG       SER  33   5.072   3.230 -10.430
  258    H    VAL  34           HN       VAL  34   7.484   1.574  -6.944
  259    HA   VAL  34           HA       VAL  34   9.134   3.816  -7.259
  260    HB   VAL  34           HB       VAL  34   9.142   1.942  -4.910
  261   HG11  VAL  34          HG11      VAL  34   9.508   4.054  -3.653
  262   HG12  VAL  34          HG12      VAL  34   9.643   4.893  -5.199
  263   HG13  VAL  34          HG13      VAL  34  10.812   3.646  -4.766
  264   HG21  VAL  34          HG21      VAL  34   7.301   3.237  -4.008
  265   HG22  VAL  34          HG22      VAL  34   6.871   2.382  -5.484
  266   HG23  VAL  34          HG23      VAL  34   7.179   4.121  -5.528
  267    H    LEU  35           HN       LEU  35   9.818   0.568  -6.139
  268    HA   LEU  35           HA       LEU  35  12.539   0.957  -5.777
  269    HB2  LEU  35           HB2      LEU  35  10.568  -1.138  -5.621
  270    HB3  LEU  35           HB1      LEU  35  12.170  -1.743  -6.009
  271    HG   LEU  35           HG       LEU  35  12.973  -1.286  -3.914
  272   HD11  LEU  35          HD11      LEU  35  12.713   1.128  -3.949
  273   HD12  LEU  35          HD12      LEU  35  12.089   0.498  -2.425
  274   HD13  LEU  35          HD13      LEU  35  10.971   0.972  -3.712
  275   HD21  LEU  35          HD21      LEU  35  10.009  -1.581  -3.736
  276   HD22  LEU  35          HD22      LEU  35  11.018  -1.522  -2.284
  277   HD23  LEU  35          HD23      LEU  35  11.265  -2.797  -3.477
  278    H    GLY  36           HN       GLY  36  10.772  -0.190  -8.593
  279    HA2  GLY  36           HA2      GLY  36  12.180   0.292 -10.669
  280    HA3  GLY  36           HA1      GLY  36  13.362  -0.729  -9.866
  281    H    TYR  37           HN       TYR  37  10.151  -1.642  -9.392
  282    HA   TYR  37           HA       TYR  37  10.728  -4.081 -10.916
  283    HB2  TYR  37           HB2      TYR  37   8.671  -3.683  -8.748
  284    HB3  TYR  37           HB1      TYR  37   9.298  -5.200  -9.355
  285    HD1  TYR  37           HD1      TYR  37   9.175  -4.296  -6.429
  286    HD2  TYR  37           HD2      TYR  37  12.213  -4.095  -9.383
  287    HE1  TYR  37           HE1      TYR  37  10.870  -4.290  -4.661
  288    HE2  TYR  37           HE2      TYR  37  13.920  -4.065  -7.643
  289    HH   TYR  37           HH       TYR  37  14.150  -3.512  -5.270
  290    H    ALA  38           HN       ALA  38   8.839  -5.209 -11.834
  291    HA   ALA  38           HA       ALA  38   6.665  -3.406 -12.634
  292    HB1  ALA  38           HB1      ALA  38   6.820  -4.137 -14.944
  293    HB2  ALA  38           HB2      ALA  38   8.197  -5.164 -14.543
  294    HB3  ALA  38           HB3      ALA  38   8.342  -3.411 -14.425
  295    H    SER  39           HN       SER  39   7.424  -6.111 -11.079
  296    HA   SER  39           HA       SER  39   4.812  -7.293 -11.549
  297    HB2  SER  39           HB2      SER  39   5.774  -9.553 -11.890
  298    HB3  SER  39           HB1      SER  39   6.216  -8.438 -13.177
  299    HG   SER  39           HG       SER  39   8.116  -8.138 -11.475
  300    H    THR  40           HN       THR  40   6.331  -5.921  -9.393
  301    HA   THR  40           HA       THR  40   7.038  -6.093  -7.238
  302    HB   THR  40           HB       THR  40   5.547  -7.401  -5.731
  303    HG1  THR  40           HG1      THR  40   4.948  -8.686  -8.023
  304   HG21  THR  40          HG21      THR  40   4.216  -5.674  -7.807
  305   HG22  THR  40          HG22      THR  40   4.977  -5.129  -6.308
  306   HG23  THR  40          HG23      THR  40   3.507  -6.107  -6.252
  307    H    GLU  41           HN       GLU  41   8.468  -7.749  -9.050
  308    HA   GLU  41           HA       GLU  41   8.893 -10.352  -8.349
  309    HB2  GLU  41           HB2      GLU  41  11.346  -9.892  -9.035
  310    HB3  GLU  41           HB1      GLU  41  10.066  -9.662 -10.213
  311    HG2  GLU  41           HG2      GLU  41  10.823  -7.287  -8.640
  312    HG3  GLU  41           HG1      GLU  41  12.016  -7.888  -9.792
  313    H    SER  42           HN       SER  42  11.202  -7.889  -7.152
  314    HA   SER  42           HA       SER  42  11.815  -9.715  -4.976
  315    HB2  SER  42           HB2      SER  42  13.639  -8.756  -6.371
  316    HB3  SER  42           HB1      SER  42  13.228  -7.156  -5.756
  317    HG   SER  42           HG       SER  42  14.113  -7.631  -3.875
  318    H    LEU  43           HN       LEU  43   9.360  -8.686  -4.544
  319    HA   LEU  43           HA       LEU  43   9.882  -6.899  -2.274
  320    HB2  LEU  43           HB2      LEU  43   7.374  -7.409  -3.847
  321    HB3  LEU  43           HB1      LEU  43   7.417  -6.484  -2.358
  322    HG   LEU  43           HG       LEU  43   9.023  -5.763  -4.798
  323   HD11  LEU  43          HD11      LEU  43   7.336  -4.046  -5.163
  324   HD12  LEU  43          HD12      LEU  43   6.368  -4.733  -3.855
  325   HD13  LEU  43          HD13      LEU  43   6.676  -5.676  -5.314
  326   HD21  LEU  43          HD21      LEU  43   9.167  -3.599  -3.646
  327   HD22  LEU  43          HD22      LEU  43   9.900  -4.906  -2.715
  328   HD23  LEU  43          HD23      LEU  43   8.305  -4.292  -2.274
  329    H    ASP  44           HN       ASP  44   8.425  -7.204  -0.432
  330    HA   ASP  44           HA       ASP  44   7.370  -9.902  -0.073
  331    HB2  ASP  44           HB2      ASP  44   9.806  -9.448   1.000
  332    HB3  ASP  44           HB1      ASP  44   8.808  -8.730   2.256
  333    H    THR  45           HN       THR  45   5.663  -9.960   1.426
  334    HA   THR  45           HA       THR  45   4.653  -7.307   2.175
  335    HB   THR  45           HB       THR  45   2.482  -8.559   2.565
  336    HG1  THR  45           HG1      THR  45   3.749 -10.555   0.976
  337   HG21  THR  45          HG21      THR  45   3.684  -8.452  -0.195
  338   HG22  THR  45          HG22      THR  45   2.760  -7.187   0.620
  339   HG23  THR  45          HG23      THR  45   1.969  -8.688   0.140
  340    H    HIS  46           HN       HIS  46   6.252  -9.935   3.424
  341    HA   HIS  46           HA       HIS  46   5.107  -9.567   6.107
  342    HB2  HIS  46           HB2      HIS  46   6.928 -11.726   5.014
  343    HB3  HIS  46           HB1      HIS  46   6.389 -11.630   6.681
  344    HD1  HIS  46           HD1      HIS  46   4.639 -13.301   7.090
  345    HD2  HIS  46           HD2      HIS  46   4.342 -11.651   3.288
  346    HE1  HIS  46           HE1      HIS  46   2.652 -14.414   6.024
  347    HE2  HIS  46           HE2      HIS  46   2.561 -13.485   3.686
  348    H    GLU  47           HN       GLU  47   7.431  -8.299   4.227
  349    HA   GLU  47           HA       GLU  47   9.244  -7.845   6.486
  350    HB2  GLU  47           HB2      GLU  47  11.029  -8.416   5.262
  351    HB3  GLU  47           HB1      GLU  47   9.896  -9.134   4.135
  352    HG2  GLU  47           HG2      GLU  47   9.881  -7.027   2.848
  353    HG3  GLU  47           HG1      GLU  47  11.074  -6.366   3.969
  354    H    SER  48           HN       SER  48  10.205  -5.715   6.524
  355    HA   SER  48           HA       SER  48   8.067  -3.851   5.938
  356    HB2  SER  48           HB2      SER  48  10.607  -3.177   7.399
  357    HB3  SER  48           HB1      SER  48   8.998  -2.490   7.588
  358    HG   SER  48           HG       SER  48   8.788  -5.074   8.073
  359    H    PHE  49           HN       PHE  49   8.321  -1.888   4.917
  360    HA   PHE  49           HA       PHE  49   9.657  -1.832   2.500
  361    HB2  PHE  49           HB2      PHE  49   8.723   0.504   4.148
  362    HB3  PHE  49           HB1      PHE  49   9.172   0.587   2.451
  363    HD1  PHE  49           HD1      PHE  49   7.722  -0.268   0.742
  364    HD2  PHE  49           HD2      PHE  49   6.702  -0.589   4.851
  365    HE1  PHE  49           HE1      PHE  49   5.405  -0.809   0.120
  366    HE2  PHE  49           HE2      PHE  49   4.393  -1.126   4.243
  367    HZ   PHE  49           HZ       PHE  49   3.740  -1.239   1.884
  368    H    LYS  50           HN       LYS  50  10.723  -0.738   5.615
  369    HA   LYS  50           HA       LYS  50  13.047   0.556   5.178
  370    HB2  LYS  50           HB2      LYS  50  12.069  -0.336   7.347
  371    HB3  LYS  50           HB1      LYS  50  12.833  -1.863   6.954
  372    HG2  LYS  50           HG2      LYS  50  14.437  -1.036   8.231
  373    HG3  LYS  50           HG1      LYS  50  14.956  -0.272   6.739
  374    HD2  LYS  50           HD2      LYS  50  13.346   0.945   8.978
  375    HD3  LYS  50           HD1      LYS  50  15.000   1.347   8.519
  376    HE2  LYS  50           HE2      LYS  50  14.245   2.260   6.427
  377    HE3  LYS  50           HE1      LYS  50  12.601   1.716   6.751
  378    HZ1  LYS  50           HZ1      LYS  50  14.068   3.703   8.392
  379    HZ2  LYS  50           HZ2      LYS  50  12.455   3.241   8.582
  380    HZ3  LYS  50           HZ3      LYS  50  12.935   4.095   7.205
  381    H    ASP  51           HN       ASP  51  12.657  -2.940   5.161
  382    HA   ASP  51           HA       ASP  51  15.278  -3.490   4.232
  383    HB2  ASP  51           HB2      ASP  51  13.677  -5.025   5.521
  384    HB3  ASP  51           HB1      ASP  51  12.954  -5.363   3.955
  385    H    LEU  52           HN       LEU  52  12.284  -2.774   2.674
  386    HA   LEU  52           HA       LEU  52  12.951  -3.779   0.090
  387    HB2  LEU  52           HB2      LEU  52  10.854  -1.948   1.174
  388    HB3  LEU  52           HB1      LEU  52  11.050  -2.116  -0.543
  389    HG   LEU  52           HG       LEU  52  10.557  -4.522  -0.380
  390   HD11  LEU  52          HD11      LEU  52  11.376  -4.992   1.822
  391   HD12  LEU  52          HD12      LEU  52   9.658  -5.394   1.743
  392   HD13  LEU  52          HD13      LEU  52  10.183  -3.906   2.531
  393   HD21  LEU  52          HD21      LEU  52   8.690  -3.074  -0.794
  394   HD22  LEU  52          HD22      LEU  52   8.541  -2.718   0.928
  395   HD23  LEU  52          HD23      LEU  52   8.200  -4.344   0.335
  396    H    GLY  53           HN       GLY  53  13.786  -1.043   1.906
  397    HA2  GLY  53           HA2      GLY  53  15.709   0.178   1.233
  398    HA3  GLY  53           HA1      GLY  53  15.205   0.013  -0.435
  399    H    PHE  54           HN       PHE  54  12.594   0.793   1.609
  400    HA   PHE  54           HA       PHE  54  12.441   3.379   0.417
  401    HB2  PHE  54           HB2      PHE  54  10.691   1.963   2.425
  402    HB3  PHE  54           HB1      PHE  54  10.354   3.573   1.799
  403    HD1  PHE  54           HD1      PHE  54   9.617   3.919  -0.419
  404    HD2  PHE  54           HD2      PHE  54  10.573   0.021   0.963
  405    HE1  PHE  54           HE1      PHE  54   8.543   2.972  -2.395
  406    HE2  PHE  54           HE2      PHE  54   9.504  -0.955  -1.010
  407    HZ   PHE  54           HZ       PHE  54   8.493   0.518  -2.724
  408    H    ASP  55           HN       ASP  55  12.851   5.305   1.205
  409    HA   ASP  55           HA       ASP  55  13.090   5.736   4.093
  410    HB2  ASP  55           HB2      ASP  55  15.397   5.361   2.901
  411    HB3  ASP  55           HB1      ASP  55  15.127   6.988   2.277
  412    H    SER  56           HN       SER  56  14.179   8.460   3.519
  413    HA   SER  56           HA       SER  56  11.633   9.763   3.256
  414    HB2  SER  56           HB2      SER  56  14.337  11.095   3.398
  415    HB3  SER  56           HB1      SER  56  12.784  11.720   3.954
  416    HG   SER  56           HG       SER  56  14.328   9.613   5.065
  417    H    LEU  57           HN       LEU  57  12.459   8.420   0.903
  418    HA   LEU  57           HA       LEU  57  12.309  10.582  -1.033
  419    HB2  LEU  57           HB2      LEU  57  14.107   8.199  -1.284
  420    HB3  LEU  57           HB1      LEU  57  13.954   9.501  -2.445
  421    HG   LEU  57           HG       LEU  57  14.985   9.857   0.360
  422   HD11  LEU  57          HD11      LEU  57  16.520   9.478  -2.205
  423   HD12  LEU  57          HD12      LEU  57  16.454   8.359  -0.844
  424   HD13  LEU  57          HD13      LEU  57  17.217   9.936  -0.652
  425   HD21  LEU  57          HD21      LEU  57  14.107  11.880  -0.632
  426   HD22  LEU  57          HD22      LEU  57  15.076  11.622  -2.083
  427   HD23  LEU  57          HD23      LEU  57  15.868  11.968  -0.545
  428    H    THR  58           HN       THR  58  12.678   7.065  -0.977
  429    HA   THR  58           HA       THR  58  10.884   6.644  -3.117
  430    HB   THR  58           HB       THR  58  11.083   4.199  -2.291
  431    HG1  THR  58           HG1      THR  58  13.395   4.712  -0.994
  432   HG21  THR  58          HG21      THR  58  12.338   5.141  -4.181
  433   HG22  THR  58          HG22      THR  58  13.308   3.991  -3.260
  434   HG23  THR  58          HG23      THR  58  13.571   5.725  -3.063
  435    H    ALA  59           HN       ALA  59  10.576   6.223   0.396
  436    HA   ALA  59           HA       ALA  59   8.033   5.138   0.493
  437    HB1  ALA  59           HB1      ALA  59   7.880   6.007   2.740
  438    HB2  ALA  59           HB2      ALA  59   9.110   7.226   2.398
  439    HB3  ALA  59           HB3      ALA  59   9.555   5.522   2.456
  440    H    LEU  60           HN       LEU  60   9.125   8.378  -0.059
  441    HA   LEU  60           HA       LEU  60   6.677   9.708   0.298
  442    HB2  LEU  60           HB2      LEU  60   9.180  10.410  -1.213
  443    HB3  LEU  60           HB1      LEU  60   7.822  11.507  -1.078
  444    HG   LEU  60           HG       LEU  60   9.625  12.025   0.536
  445   HD11  LEU  60          HD11      LEU  60   7.328  12.632   1.054
  446   HD12  LEU  60          HD12      LEU  60   8.233  12.206   2.508
  447   HD13  LEU  60          HD13      LEU  60   7.086  11.060   1.819
  448   HD21  LEU  60          HD21      LEU  60   8.928   9.343   1.717
  449   HD22  LEU  60          HD22      LEU  60   9.939  10.565   2.486
  450   HD23  LEU  60          HD23      LEU  60  10.471   9.798   0.989
  451    H    GLU  61           HN       GLU  61   8.324   8.589  -2.682
  452    HA   GLU  61           HA       GLU  61   6.093   9.360  -4.302
  453    HB2  GLU  61           HB2      GLU  61   7.220   7.851  -6.039
  454    HB3  GLU  61           HB1      GLU  61   8.092   9.288  -5.509
  455    HG2  GLU  61           HG2      GLU  61   9.458   7.930  -4.037
  456    HG3  GLU  61           HG1      GLU  61   8.548   6.496  -4.501
  457    H    LEU  62           HN       LEU  62   7.006   6.445  -2.601
  458    HA   LEU  62           HA       LEU  62   5.034   4.741  -3.732
  459    HB2  LEU  62           HB2      LEU  62   6.791   3.816  -2.367
  460    HB3  LEU  62           HB1      LEU  62   6.269   4.766  -0.992
  461    HG   LEU  62           HG       LEU  62   4.154   3.535  -0.925
  462   HD11  LEU  62          HD11      LEU  62   3.909   1.514  -2.301
  463   HD12  LEU  62          HD12      LEU  62   5.347   1.987  -3.203
  464   HD13  LEU  62          HD13      LEU  62   3.907   3.005  -3.245
  465   HD21  LEU  62          HD21      LEU  62   6.522   1.694  -0.989
  466   HD22  LEU  62          HD22      LEU  62   5.033   1.498  -0.059
  467   HD23  LEU  62          HD23      LEU  62   6.153   2.807   0.326
  468    H    ARG  63           HN       ARG  63   5.065   6.787  -0.863
  469    HA   ARG  63           HA       ARG  63   2.474   6.338   0.054
  470    HB2  ARG  63           HB2      ARG  63   3.933   7.563   1.444
  471    HB3  ARG  63           HB1      ARG  63   4.403   8.649   0.146
  472    HG2  ARG  63           HG2      ARG  63   1.913   9.394   0.213
  473    HG3  ARG  63           HG1      ARG  63   1.944   8.686   1.829
  474    HD2  ARG  63           HD2      ARG  63   2.438  11.076   1.889
  475    HD3  ARG  63           HD1      ARG  63   3.808  10.118   2.440
  476    HE   ARG  63           HE       ARG  63   4.538  10.455  -0.047
  477   HH11  ARG  63          HH11      ARG  63   2.969  12.790   2.033
  478   HH12  ARG  63          HH12      ARG  63   3.719  14.159   1.279
  479   HH21  ARG  63          HH21      ARG  63   5.523  12.266  -1.058
  480   HH22  ARG  63          HH22      ARG  63   5.178  13.860  -0.470
  481    H    ASP  64           HN       ASP  64   3.850   8.654  -2.193
  482    HA   ASP  64           HA       ASP  64   1.613  10.002  -3.071
  483    HB2  ASP  64           HB2      ASP  64   4.040  10.443  -3.596
  484    HB3  ASP  64           HB1      ASP  64   3.933   9.149  -4.777
  485    H    HIS  65           HN       HIS  65   3.013   6.952  -4.180
  486    HA   HIS  65           HA       HIS  65   1.263   6.444  -6.299
  487    HB2  HIS  65           HB2      HIS  65   2.823   4.605  -4.524
  488    HB3  HIS  65           HB1      HIS  65   1.896   4.038  -5.891
  489    HD1  HIS  65           HD1      HIS  65   2.893   6.607  -7.701
  490    HD2  HIS  65           HD2      HIS  65   5.166   3.818  -5.661
  491    HE1  HIS  65           HE1      HIS  65   5.172   6.638  -8.785
  492    HE2  HIS  65           HE2      HIS  65   6.455   4.817  -7.660
  493    H    LEU  66           HN       LEU  66   1.048   5.537  -2.847
  494    HA   LEU  66           HA       LEU  66  -1.155   3.804  -3.188
  495    HB2  LEU  66           HB2      LEU  66   0.077   5.221  -0.880
  496    HB3  LEU  66           HB1      LEU  66  -1.454   4.406  -0.663
  497    HG   LEU  66           HG       LEU  66  -0.532   2.296  -0.882
  498   HD11  LEU  66          HD11      LEU  66   1.617   1.799  -1.918
  499   HD12  LEU  66          HD12      LEU  66   1.857   3.514  -2.255
  500   HD13  LEU  66          HD13      LEU  66   0.549   2.634  -3.044
  501   HD21  LEU  66          HD21      LEU  66   0.304   3.299   1.122
  502   HD22  LEU  66          HD22      LEU  66   1.636   4.043   0.240
  503   HD23  LEU  66          HD23      LEU  66   1.569   2.290   0.421
  504    H    GLN  67           HN       GLN  67  -0.943   7.217  -2.387
  505    HA   GLN  67           HA       GLN  67  -3.729   7.543  -1.841
  506    HB2  GLN  67           HB2      GLN  67  -1.924   9.750  -2.769
  507    HB3  GLN  67           HB1      GLN  67  -3.275   9.839  -1.649
  508    HG2  GLN  67           HG2      GLN  67  -2.072   8.958   0.090
  509    HG3  GLN  67           HG1      GLN  67  -0.943   8.153  -0.998
  510   HE21  GLN  67          HE21      GLN  67  -0.395  10.406  -2.634
  511   HE22  GLN  67          HE22      GLN  67   0.560  11.497  -1.708
  512    H    THR  68           HN       THR  68  -1.721   7.789  -4.683
  513    HA   THR  68           HA       THR  68  -3.757   8.789  -6.380
  514    HB   THR  68           HB       THR  68  -0.991   7.819  -6.562
  515    HG1  THR  68           HG1      THR  68  -0.926   9.904  -6.827
  516   HG21  THR  68          HG21      THR  68  -1.044   7.661  -9.038
  517   HG22  THR  68          HG22      THR  68  -2.807   7.694  -8.971
  518   HG23  THR  68          HG23      THR  68  -1.918   6.358  -8.236
  519    H    ALA  69           HN       ALA  69  -2.361   5.666  -5.733
  520    HA   ALA  69           HA       ALA  69  -3.894   4.072  -7.391
  521    HB1  ALA  69           HB1      ALA  69  -3.271   2.250  -5.875
  522    HB2  ALA  69           HB2      ALA  69  -2.681   3.451  -4.723
  523    HB3  ALA  69           HB3      ALA  69  -1.910   3.288  -6.300
  524    H    THR  70           HN       THR  70  -4.473   4.929  -3.982
  525    HA   THR  70           HA       THR  70  -6.964   3.430  -4.027
  526    HB   THR  70           HB       THR  70  -7.078   3.852  -1.632
  527    HG1  THR  70           HG1      THR  70  -4.622   5.266  -1.780
  528   HG21  THR  70          HG21      THR  70  -4.238   3.213  -2.410
  529   HG22  THR  70          HG22      THR  70  -5.578   2.068  -2.521
  530   HG23  THR  70          HG23      THR  70  -5.083   2.699  -0.950
  531    H    GLY  71           HN       GLY  71  -5.813   6.699  -3.877
  532    HA2  GLY  71           HA2      GLY  71  -6.974   8.655  -4.375
  533    HA3  GLY  71           HA1      GLY  71  -8.470   7.729  -4.404
  534    H    LEU  72           HN       LEU  72  -6.593   7.042  -1.728
  535    HA   LEU  72           HA       LEU  72  -8.361   8.601   0.011
  536    HB2  LEU  72           HB2      LEU  72  -6.694   6.127   0.380
  537    HB3  LEU  72           HB1      LEU  72  -7.268   7.032   1.762
  538    HG   LEU  72           HG       LEU  72  -8.673   5.072   1.244
  539   HD11  LEU  72          HD11      LEU  72 -10.115   7.681   0.814
  540   HD12  LEU  72          HD12      LEU  72  -9.628   7.026   2.376
  541   HD13  LEU  72          HD13      LEU  72 -10.816   6.168   1.398
  542   HD21  LEU  72          HD21      LEU  72  -9.311   6.529  -1.307
  543   HD22  LEU  72          HD22      LEU  72 -10.154   5.104  -0.700
  544   HD23  LEU  72          HD23      LEU  72  -8.457   4.996  -1.159
  545    H    ASN  73           HN       ASN  73  -6.791   8.657   2.294
  546    HA   ASN  73           HA       ASN  73  -4.730  10.580   1.449
  547    HB2  ASN  73           HB2      ASN  73  -6.814  11.625   2.367
  548    HB3  ASN  73           HB1      ASN  73  -6.499  10.801   3.892
  549   HD21  ASN  73          HD21      ASN  73  -5.494  13.326   1.740
  550   HD22  ASN  73          HD22      ASN  73  -4.437  14.129   2.847
  551    H    LEU  74           HN       LEU  74  -2.896   9.420   1.779
  552    HA   LEU  74           HA       LEU  74  -2.593   8.015   4.311
  553    HB2  LEU  74           HB2      LEU  74  -1.012   7.864   1.754
  554    HB3  LEU  74           HB1      LEU  74  -0.600   6.990   3.223
  555    HG   LEU  74           HG       LEU  74  -3.063   6.089   2.995
  556   HD11  LEU  74          HD11      LEU  74  -3.582   7.546   1.042
  557   HD12  LEU  74          HD12      LEU  74  -3.836   5.827   0.745
  558   HD13  LEU  74          HD13      LEU  74  -2.395   6.632   0.106
  559   HD21  LEU  74          HD21      LEU  74  -1.258   4.606   3.020
  560   HD22  LEU  74          HD22      LEU  74  -0.645   5.200   1.476
  561   HD23  LEU  74          HD23      LEU  74  -2.134   4.260   1.529
  562    H    SER  75           HN       SER  75   0.420   8.165   4.229
  563    HA   SER  75           HA       SER  75   0.654  10.953   5.090
  564    HB2  SER  75           HB2      SER  75  -0.271   9.691   7.016
  565    HB3  SER  75           HB1      SER  75   1.146   8.646   6.983
  566    HG   SER  75           HG       SER  75   0.854  11.196   7.959
  567    H    SER  76           HN       SER  76   2.933  11.377   6.018
  568    HA   SER  76           HA       SER  76   4.764  10.813   3.949
  569    HB2  SER  76           HB2      SER  76   4.831  12.866   5.332
  570    HB3  SER  76           HB1      SER  76   5.339  11.900   6.715
  571    HG   SER  76           HG       SER  76   6.755  12.640   4.422
  572    H    THR  77           HN       THR  77   4.513   9.558   7.256
  573    HA   THR  77           HA       THR  77   6.750   7.729   6.724
  574    HB   THR  77           HB       THR  77   6.584   7.308   9.233
  575    HG1  THR  77           HG1      THR  77   4.776   8.146  10.014
  576   HG21  THR  77          HG21      THR  77   7.798   9.373   9.777
  577   HG22  THR  77          HG22      THR  77   7.243  10.087   8.262
  578   HG23  THR  77          HG23      THR  77   8.323   8.693   8.235
  579    H    LEU  78           HN       LEU  78   4.149   7.512   5.661
  580    HA   LEU  78           HA       LEU  78   2.273   5.919   6.797
  581    HB2  LEU  78           HB2      LEU  78   2.204   7.067   4.621
  582    HB3  LEU  78           HB1      LEU  78   3.312   5.888   3.979
  583    HG   LEU  78           HG       LEU  78   0.724   5.801   3.521
  584   HD11  LEU  78          HD11      LEU  78   2.202   4.356   2.424
  585   HD12  LEU  78          HD12      LEU  78   0.971   3.339   3.188
  586   HD13  LEU  78          HD13      LEU  78   2.570   3.483   3.919
  587   HD21  LEU  78          HD21      LEU  78  -0.142   5.613   5.669
  588   HD22  LEU  78          HD22      LEU  78   1.064   4.418   6.149
  589   HD23  LEU  78          HD23      LEU  78  -0.217   3.974   5.018
  590    H    ILE  79           HN       ILE  79   4.909   4.694   4.748
  591    HA   ILE  79           HA       ILE  79   4.371   1.965   5.490
  592    HB   ILE  79           HB       ILE  79   6.208   1.411   4.017
  593   HG12  ILE  79          HG12      ILE  79   6.731   4.372   4.058
  594   HG13  ILE  79          HG11      ILE  79   7.841   3.074   4.488
  595   HG21  ILE  79          HG21      ILE  79   4.483   3.619   2.918
  596   HG22  ILE  79          HG22      ILE  79   4.073   1.901   2.988
  597   HG23  ILE  79          HG23      ILE  79   5.400   2.452   1.963
  598   HD11  ILE  79          HD11      ILE  79   8.523   3.845   2.385
  599   HD12  ILE  79          HD12      ILE  79   6.864   3.896   1.787
  600   HD13  ILE  79          HD13      ILE  79   7.654   2.338   2.069
  601    H    PHE  80           HN       PHE  80   5.726   4.174   7.353
  602    HA   PHE  80           HA       PHE  80   7.650   2.246   8.475
  603    HB2  PHE  80           HB2      PHE  80   7.720   5.266   8.597
  604    HB3  PHE  80           HB1      PHE  80   8.843   4.200   9.433
  605    HD1  PHE  80           HD1      PHE  80   9.028   6.378   7.028
  606    HD2  PHE  80           HD2      PHE  80   9.316   2.151   7.382
  607    HE1  PHE  80           HE1      PHE  80  10.396   6.305   4.991
  608    HE2  PHE  80           HE2      PHE  80  10.685   2.047   5.341
  609    HZ   PHE  80           HZ       PHE  80  11.235   4.142   4.144
  610    H    ASP  81           HN       ASP  81   4.865   4.043   8.804
  611    HA   ASP  81           HA       ASP  81   4.578   3.629  11.646
  612    HB2  ASP  81           HB2      ASP  81   3.138   5.013   9.475
  613    HB3  ASP  81           HB1      ASP  81   2.101   4.277  10.688
  614    H    HIS  82           HN       HIS  82   3.584   2.370   8.570
  615    HA   HIS  82           HA       HIS  82   2.594  -0.062   9.864
  616    HB2  HIS  82           HB2      HIS  82   1.803   0.961   7.129
  617    HB3  HIS  82           HB1      HIS  82   1.048  -0.327   8.054
  618    HD1  HIS  82           HD1      HIS  82  -0.374   0.402  10.150
  619    HD2  HIS  82           HD2      HIS  82   0.975   3.518   7.753
  620    HE1  HIS  82           HE1      HIS  82  -1.614   2.437  10.936
  621    HE2  HIS  82           HE2      HIS  82  -0.583   4.343   9.650
  622    HA   PRO  83           HA       PRO  83   6.604  -0.973   8.468
  623    HB2  PRO  83           HB2      PRO  83   6.610  -3.658   9.055
  624    HB3  PRO  83           HB1      PRO  83   6.827  -2.374  10.249
  625    HG2  PRO  83           HG2      PRO  83   4.339  -3.893   9.531
  626    HG3  PRO  83           HG1      PRO  83   4.962  -3.450  11.136
  627    HD2  PRO  83           HD2      PRO  83   2.991  -2.049   9.984
  628    HD3  PRO  83           HD1      PRO  83   4.245  -1.249  10.938
  629    H    THR  84           HN       THR  84   4.056  -3.197   7.346
  630    HA   THR  84           HA       THR  84   5.765  -3.783   5.042
  631    HB   THR  84           HB       THR  84   4.746  -5.995   4.973
  632    HG1  THR  84           HG1      THR  84   3.588  -6.336   7.245
  633   HG21  THR  84          HG21      THR  84   6.795  -5.692   6.297
  634   HG22  THR  84          HG22      THR  84   5.756  -6.931   7.003
  635   HG23  THR  84          HG23      THR  84   5.821  -5.320   7.720
  636    HA   PRO  85           HA       PRO  85   2.476  -2.585   2.306
  637    HB2  PRO  85           HB2      PRO  85   2.819  -5.207   0.971
  638    HB3  PRO  85           HB1      PRO  85   2.933  -3.587   0.286
  639    HG2  PRO  85           HG2      PRO  85   5.106  -5.109   0.707
  640    HG3  PRO  85           HG1      PRO  85   5.140  -3.345   0.873
  641    HD2  PRO  85           HD2      PRO  85   5.108  -5.440   2.978
  642    HD3  PRO  85           HD1      PRO  85   5.879  -3.849   2.986
  643    H    HIS  86           HN       HIS  86   2.621  -5.477   4.046
  644    HA   HIS  86           HA       HIS  86  -0.101  -6.315   3.657
  645    HB2  HIS  86           HB2      HIS  86   1.206  -8.071   4.377
  646    HB3  HIS  86           HB1      HIS  86   2.181  -7.061   5.421
  647    HD1  HIS  86           HD1      HIS  86  -0.641  -9.399   5.467
  648    HD2  HIS  86           HD2      HIS  86   0.893  -6.414   7.931
  649    HE1  HIS  86           HE1      HIS  86  -1.638  -9.822   7.737
  650    HE2  HIS  86           HE2      HIS  86  -0.801  -7.932   9.179
  651    H    ALA  87           HN       ALA  87   1.711  -4.563   6.110
  652    HA   ALA  87           HA       ALA  87  -0.512  -4.078   7.835
  653    HB1  ALA  87           HB1      ALA  87   2.130  -2.625   7.704
  654    HB2  ALA  87           HB2      ALA  87   1.850  -4.115   8.605
  655    HB3  ALA  87           HB3      ALA  87   1.004  -2.638   9.061
  656    H    VAL  88           HN       VAL  88   0.847  -2.633   5.110
  657    HA   VAL  88           HA       VAL  88  -0.352  -0.034   5.510
  658    HB   VAL  88           HB       VAL  88   1.178  -1.257   3.237
  659   HG11  VAL  88          HG11      VAL  88   1.240   1.015   2.270
  660   HG12  VAL  88          HG12      VAL  88   0.065   1.520   3.486
  661   HG13  VAL  88          HG13      VAL  88  -0.371   0.296   2.294
  662   HG21  VAL  88          HG21      VAL  88   2.919   0.350   3.889
  663   HG22  VAL  88          HG22      VAL  88   2.529  -0.785   5.182
  664   HG23  VAL  88          HG23      VAL  88   1.911   0.871   5.239
  665    H    ALA  89           HN       ALA  89  -0.791  -2.822   3.386
  666    HA   ALA  89           HA       ALA  89  -2.909  -1.761   1.897
  667    HB1  ALA  89           HB1      ALA  89  -1.777  -3.772   1.192
  668    HB2  ALA  89           HB2      ALA  89  -3.502  -4.084   1.371
  669    HB3  ALA  89           HB3      ALA  89  -2.371  -4.639   2.609
  670    H    GLU  90           HN       GLU  90  -2.913  -3.568   4.997
  671    HA   GLU  90           HA       GLU  90  -5.784  -3.510   5.101
  672    HB2  GLU  90           HB2      GLU  90  -5.455  -4.208   7.481
  673    HB3  GLU  90           HB1      GLU  90  -4.701  -5.262   6.291
  674    HG2  GLU  90           HG2      GLU  90  -2.554  -4.302   6.735
  675    HG3  GLU  90           HG1      GLU  90  -3.262  -3.135   7.847
  676    H    HIS  91           HN       HIS  91  -3.210  -1.415   6.016
  677    HA   HIS  91           HA       HIS  91  -4.689   0.371   7.593
  678    HB2  HIS  91           HB2      HIS  91  -2.331   0.570   7.690
  679    HB3  HIS  91           HB1      HIS  91  -2.192   0.695   5.935
  680    HD1  HIS  91           HD1      HIS  91  -3.471   2.703   8.905
  681    HD2  HIS  91           HD2      HIS  91  -2.284   3.197   4.953
  682    HE1  HIS  91           HE1      HIS  91  -3.451   5.187   8.517
  683    HE2  HIS  91           HE2      HIS  91  -2.834   5.471   6.095
  684    H    LEU  92           HN       LEU  92  -4.483  -0.197   4.189
  685    HA   LEU  92           HA       LEU  92  -5.674   2.271   3.406
  686    HB2  LEU  92           HB2      LEU  92  -4.876  -0.253   2.057
  687    HB3  LEU  92           HB1      LEU  92  -6.100   0.733   1.269
  688    HG   LEU  92           HG       LEU  92  -4.638   2.507   0.910
  689   HD11  LEU  92          HD11      LEU  92  -3.710   2.975   2.995
  690   HD12  LEU  92          HD12      LEU  92  -2.320   2.497   2.014
  691   HD13  LEU  92          HD13      LEU  92  -3.028   1.356   3.154
  692   HD21  LEU  92          HD21      LEU  92  -2.900   0.058   0.771
  693   HD22  LEU  92          HD22      LEU  92  -2.636   1.573  -0.092
  694   HD23  LEU  92          HD23      LEU  92  -4.047   0.583  -0.463
  695    H    LEU  93           HN       LEU  93  -6.816  -0.538   4.792
  696    HA   LEU  93           HA       LEU  93  -9.524  -0.427   3.792
  697    HB2  LEU  93           HB2      LEU  93  -8.224  -1.910   6.044
  698    HB3  LEU  93           HB1      LEU  93  -9.958  -1.930   5.817
  699    HG   LEU  93           HG       LEU  93  -9.809  -3.201   3.860
  700   HD11  LEU  93          HD11      LEU  93  -6.875  -2.507   3.806
  701   HD12  LEU  93          HD12      LEU  93  -8.118  -1.980   2.666
  702   HD13  LEU  93          HD13      LEU  93  -7.651  -3.682   2.736
  703   HD21  LEU  93          HD21      LEU  93  -7.580  -4.111   5.665
  704   HD22  LEU  93          HD22      LEU  93  -8.462  -5.113   4.507
  705   HD23  LEU  93          HD23      LEU  93  -9.299  -4.434   5.904
  706    H    GLU  94           HN       GLU  94  -7.647   0.737   6.393
  707    HA   GLU  94           HA       GLU  94  -9.592   1.629   8.183
  708    HB2  GLU  94           HB2      GLU  94  -6.832   2.604   7.485
  709    HB3  GLU  94           HB1      GLU  94  -7.751   3.249   8.850
  710    HG2  GLU  94           HG2      GLU  94  -6.943   0.372   8.475
  711    HG3  GLU  94           HG1      GLU  94  -6.113   1.537   9.504
  712    H    GLN  95           HN       GLN  95  -8.411   2.886   5.181
  713    HA   GLN  95           HA       GLN  95  -9.468   5.533   5.489
  714    HB2  GLN  95           HB2      GLN  95  -8.651   4.209   2.919
  715    HB3  GLN  95           HB1      GLN  95  -8.489   5.897   3.381
  716    HG2  GLN  95           HG2      GLN  95  -6.957   3.667   4.682
  717    HG3  GLN  95           HG1      GLN  95  -6.358   4.589   3.310
  718   HE21  GLN  95          HE21      GLN  95  -5.426   4.285   6.061
  719   HE22  GLN  95          HE22      GLN  95  -5.296   5.889   6.699
  720    H    ILE  96           HN       ILE  96 -10.618   2.485   4.553
  721    HA   ILE  96           HA       ILE  96 -12.436   3.284   2.511
  722    HB   ILE  96           HB       ILE  96 -12.115   0.688   3.987
  723   HG12  ILE  96          HG12      ILE  96 -10.091   1.572   2.931
  724   HG13  ILE  96          HG11      ILE  96 -10.632   0.089   2.185
  725   HG21  ILE  96          HG21      ILE  96 -13.194  -0.399   2.179
  726   HG22  ILE  96          HG22      ILE  96 -13.275   1.098   1.255
  727   HG23  ILE  96          HG23      ILE  96 -14.251   0.908   2.713
  728   HD11  ILE  96          HD11      ILE  96  -9.827   1.863   0.612
  729   HD12  ILE  96          HD12      ILE  96 -11.238   2.821   1.090
  730   HD13  ILE  96          HD13      ILE  96 -11.458   1.264   0.290
  731    HA   PRO  97           HA       PRO  97 -15.868   4.417   4.938
  732    HB2  PRO  97           HB2      PRO  97 -17.737   4.434   3.047
  733    HB3  PRO  97           HB1      PRO  97 -16.343   5.521   2.958
  734    HG2  PRO  97           HG2      PRO  97 -16.726   2.861   1.628
  735    HG3  PRO  97           HG1      PRO  97 -16.235   4.392   0.897
  736    HD2  PRO  97           HD2      PRO  97 -14.449   2.518   1.613
  737    HD3  PRO  97           HD1      PRO  97 -14.099   4.240   1.730
  738    H    GLY  98           HN       GLY  98 -15.959   2.431   6.298
  739    HA2  GLY  98           HA2      GLY  98 -17.476   1.058   7.384
  740    HA3  GLY  98           HA1      GLY  98 -18.608   1.335   6.073
  741    H    ILE  99           HN       ILE  99 -17.643   0.299   3.913
  742    HA   ILE  99           HA       ILE  99 -17.863  -2.460   4.086
  743    HB   ILE  99           HB       ILE  99 -16.440  -2.319   1.839
  744   HG12  ILE  99          HG12      ILE  99 -17.564   0.434   1.782
  745   HG13  ILE  99          HG11      ILE  99 -16.046   0.198   2.637
  746   HG21  ILE  99          HG21      ILE  99 -18.508  -1.826   0.640
  747   HG22  ILE  99          HG22      ILE  99 -19.228  -1.213   2.126
  748   HG23  ILE  99          HG23      ILE  99 -18.798  -2.917   1.995
  749   HD11  ILE  99          HD11      ILE  99 -15.646   0.905   0.375
  750   HD12  ILE  99          HD12      ILE  99 -16.588  -0.460  -0.246
  751   HD13  ILE  99          HD13      ILE  99 -15.067  -0.748   0.612
  752    H    GLY 100           HN       GLY 100 -15.037  -0.438   4.397
  753    HA2  GLY 100           HA2      GLY 100 -13.405  -2.845   4.871
  754    HA3  GLY 100           HA1      GLY 100 -12.772  -1.364   4.153
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -10.864  12.998   0.603
    2    H2   GLY   1           HT2      GLY   1 -11.176  14.628   0.289
    3    H3   GLY   1           HT3      GLY   1  -9.604  14.123   0.654
    4    HA2  GLY   1           HA1      GLY   1  -9.824  14.537  -1.704
    5    HA3  GLY   1           HA2      GLY   1  -9.498  12.841  -1.375
    6    H    SER   2           HN       SER   2 -10.763  14.037  -3.702
    7    HA   SER   2           HA       SER   2 -13.575  13.375  -3.482
    8    HB2  SER   2           HB2      SER   2 -12.797  15.330  -4.812
    9    HB3  SER   2           HB1      SER   2 -11.969  14.225  -5.906
   10    HG   SER   2           HG       SER   2 -14.018  14.821  -6.703
   11    H    THR   3           HN       THR   3 -10.625  12.013  -4.767
   12    HA   THR   3           HA       THR   3 -11.954   9.946  -6.258
   13    HB   THR   3           HB       THR   3  -9.037  10.113  -5.481
   14    HG1  THR   3           HG1      THR   3  -8.742  11.352  -7.254
   15   HG21  THR   3          HG21      THR   3  -9.750   7.907  -6.293
   16   HG22  THR   3          HG22      THR   3  -8.690   8.702  -7.457
   17   HG23  THR   3          HG23      THR   3 -10.430   8.658  -7.738
   18    H    ALA   4           HN       ALA   4 -12.655   8.079  -5.494
   19    HA   ALA   4           HA       ALA   4 -11.225   6.588  -3.509
   20    HB1  ALA   4           HB1      ALA   4 -13.003   6.449  -1.852
   21    HB2  ALA   4           HB2      ALA   4 -13.987   7.577  -2.784
   22    HB3  ALA   4           HB3      ALA   4 -12.482   8.124  -2.044
   23    H    THR   5           HN       THR   5 -14.350   7.009  -5.149
   24    HA   THR   5           HA       THR   5 -15.253   4.440  -5.372
   25    HB   THR   5           HB       THR   5 -15.258   6.473  -7.609
   26    HG1  THR   5           HG1      THR   5 -16.501   6.401  -5.153
   27   HG21  THR   5          HG21      THR   5 -17.205   4.249  -6.986
   28   HG22  THR   5          HG22      THR   5 -16.004   4.215  -8.275
   29   HG23  THR   5          HG23      THR   5 -17.316   5.392  -8.324
   30    H    LEU   6           HN       LEU   6 -12.554   5.858  -6.971
   31    HA   LEU   6           HA       LEU   6 -11.945   4.079  -8.966
   32    HB2  LEU   6           HB2      LEU   6 -10.607   6.019  -8.674
   33    HB3  LEU   6           HB1      LEU   6 -10.223   5.583  -7.021
   34    HG   LEU   6           HG       LEU   6  -8.813   3.746  -7.808
   35   HD11  LEU   6          HD11      LEU   6  -9.510   4.751 -10.569
   36   HD12  LEU   6          HD12      LEU   6  -9.982   3.201  -9.871
   37   HD13  LEU   6          HD13      LEU   6  -8.282   3.541 -10.196
   38   HD21  LEU   6          HD21      LEU   6  -7.868   5.981  -7.455
   39   HD22  LEU   6          HD22      LEU   6  -8.173   6.371  -9.148
   40   HD23  LEU   6          HD23      LEU   6  -7.022   5.101  -8.728
   41    H    LEU   7           HN       LEU   7 -10.525   3.890  -5.696
   42    HA   LEU   7           HA       LEU   7  -9.921   1.102  -6.133
   43    HB2  LEU   7           HB2      LEU   7  -8.860   3.148  -4.547
   44    HB3  LEU   7           HB1      LEU   7  -9.546   1.987  -3.420
   45    HG   LEU   7           HG       LEU   7  -7.151   1.559  -3.923
   46   HD11  LEU   7          HD11      LEU   7  -7.432  -0.825  -4.134
   47   HD12  LEU   7          HD12      LEU   7  -9.037  -0.607  -4.846
   48   HD13  LEU   7          HD13      LEU   7  -8.754  -0.171  -3.161
   49   HD21  LEU   7          HD21      LEU   7  -7.398   2.240  -6.359
   50   HD22  LEU   7          HD22      LEU   7  -8.116   0.649  -6.624
   51   HD23  LEU   7          HD23      LEU   7  -6.458   0.780  -6.042
   52    H    THR   8           HN       THR   8 -12.220   2.998  -4.392
   53    HA   THR   8           HA       THR   8 -13.103   1.125  -2.517
   54    HB   THR   8           HB       THR   8 -14.473   3.448  -3.821
   55    HG1  THR   8           HG1      THR   8 -12.785   4.001  -2.449
   56   HG21  THR   8          HG21      THR   8 -16.211   1.888  -3.069
   57   HG22  THR   8          HG22      THR   8 -16.177   3.332  -2.057
   58   HG23  THR   8          HG23      THR   8 -15.467   1.828  -1.473
   59    H    SER   9           HN       SER   9 -13.912   1.505  -5.909
   60    HA   SER   9           HA       SER   9 -16.135  -0.265  -5.915
   61    HB2  SER   9           HB2      SER   9 -14.292   0.789  -8.047
   62    HB3  SER   9           HB1      SER   9 -15.539  -0.406  -8.426
   63    HG   SER   9           HG       SER   9 -16.272   1.861  -6.953
   64    H    LYS  10           HN       LYS  10 -12.695  -0.688  -5.965
   65    HA   LYS  10           HA       LYS  10 -12.600  -3.419  -6.721
   66    HB2  LYS  10           HB2      LYS  10 -10.622  -1.805  -6.538
   67    HB3  LYS  10           HB1      LYS  10 -10.740  -2.012  -4.796
   68    HG2  LYS  10           HG2      LYS  10  -9.026  -3.442  -5.510
   69    HG3  LYS  10           HG1      LYS  10 -10.417  -4.471  -5.175
   70    HD2  LYS  10           HD2      LYS  10 -10.234  -3.507  -7.944
   71    HD3  LYS  10           HD1      LYS  10  -8.925  -4.577  -7.445
   72    HE2  LYS  10           HE2      LYS  10 -10.469  -6.297  -6.846
   73    HE3  LYS  10           HE1      LYS  10 -11.843  -5.219  -7.073
   74    HZ1  LYS  10           HZ1      LYS  10 -11.585  -6.703  -8.953
   75    HZ2  LYS  10           HZ2      LYS  10 -10.001  -6.167  -9.203
   76    HZ3  LYS  10           HZ3      LYS  10 -11.297  -5.107  -9.437
   77    H    LEU  11           HN       LEU  11 -12.371  -1.852  -3.554
   78    HA   LEU  11           HA       LEU  11 -12.399  -4.212  -2.045
   79    HB2  LEU  11           HB2      LEU  11 -13.308  -1.479  -1.167
   80    HB3  LEU  11           HB1      LEU  11 -12.917  -2.812  -0.107
   81    HG   LEU  11           HG       LEU  11 -10.972  -1.642   0.037
   82   HD11  LEU  11          HD11      LEU  11  -9.271  -2.665  -1.320
   83   HD12  LEU  11          HD12      LEU  11 -10.477  -3.155  -2.515
   84   HD13  LEU  11          HD13      LEU  11 -10.491  -3.874  -0.899
   85   HD21  LEU  11          HD21      LEU  11 -11.070  -0.864  -2.864
   86   HD22  LEU  11          HD22      LEU  11 -10.084  -0.167  -1.576
   87   HD23  LEU  11          HD23      LEU  11 -11.831   0.086  -1.588
   88    H    ALA  12           HN       ALA  12 -14.991  -2.318  -3.350
   89    HA   ALA  12           HA       ALA  12 -17.143  -3.271  -1.859
   90    HB1  ALA  12           HB1      ALA  12 -18.512  -2.688  -3.803
   91    HB2  ALA  12           HB2      ALA  12 -17.053  -2.562  -4.788
   92    HB3  ALA  12           HB3      ALA  12 -17.318  -1.437  -3.455
   93    H    GLY  13           HN       GLY  13 -15.249  -4.799  -4.336
   94    HA2  GLY  13           HA2      GLY  13 -17.129  -6.998  -4.664
   95    HA3  GLY  13           HA1      GLY  13 -15.602  -6.781  -5.512
   96    H    LEU  14           HN       LEU  14 -14.602  -6.206  -2.564
   97    HA   LEU  14           HA       LEU  14 -13.936  -9.002  -2.056
   98    HB2  LEU  14           HB2      LEU  14 -12.645  -6.459  -1.183
   99    HB3  LEU  14           HB1      LEU  14 -12.185  -8.002  -0.566
  100    HG   LEU  14           HG       LEU  14 -10.614  -7.864  -2.136
  101   HD11  LEU  14          HD11      LEU  14 -12.011  -9.733  -2.821
  102   HD12  LEU  14          HD12      LEU  14 -11.210  -8.972  -4.202
  103   HD13  LEU  14          HD13      LEU  14 -12.920  -8.659  -3.890
  104   HD21  LEU  14          HD21      LEU  14 -12.479  -6.079  -3.656
  105   HD22  LEU  14          HD22      LEU  14 -10.850  -6.499  -4.181
  106   HD23  LEU  14          HD23      LEU  14 -11.092  -5.604  -2.677
  107    H    THR  15           HN       THR  15 -13.538  -9.527   0.183
  108    HA   THR  15           HA       THR  15 -15.334  -8.210   2.079
  109    HB   THR  15           HB       THR  15 -14.986 -10.152   3.478
  110    HG1  THR  15           HG1      THR  15 -13.457 -11.759   2.870
  111   HG21  THR  15          HG21      THR  15 -15.239 -11.015   0.592
  112   HG22  THR  15          HG22      THR  15 -16.560 -10.468   1.627
  113   HG23  THR  15          HG23      THR  15 -15.720 -11.975   1.994
  114    H    ALA  16           HN       ALA  16 -14.192  -7.857   4.305
  115    HA   ALA  16           HA       ALA  16 -12.187  -6.000   4.032
  116    HB1  ALA  16           HB1      ALA  16 -12.583  -7.809   6.416
  117    HB2  ALA  16           HB2      ALA  16 -13.498  -6.341   6.084
  118    HB3  ALA  16           HB3      ALA  16 -11.768  -6.245   6.412
  119    H    THR  17           HN       THR  17 -11.812  -9.476   4.481
  120    HA   THR  17           HA       THR  17  -9.013  -9.509   4.809
  121    HB   THR  17           HB       THR  17 -10.861 -11.671   3.782
  122    HG1  THR  17           HG1      THR  17 -10.969 -10.618   6.069
  123   HG21  THR  17          HG21      THR  17  -8.517 -12.102   3.230
  124   HG22  THR  17          HG22      THR  17  -9.107 -13.225   4.455
  125   HG23  THR  17          HG23      THR  17  -8.077 -11.872   4.920
  126    H    GLU  18           HN       GLU  18 -11.040  -9.923   1.897
  127    HA   GLU  18           HA       GLU  18  -8.810 -10.349   0.215
  128    HB2  GLU  18           HB2      GLU  18 -11.674  -9.670  -0.369
  129    HB3  GLU  18           HB1      GLU  18 -10.488 -10.092  -1.582
  130    HG2  GLU  18           HG2      GLU  18 -10.209 -12.274  -0.469
  131    HG3  GLU  18           HG1      GLU  18 -11.512 -11.828   0.630
  132    H    GLN  19           HN       GLN  19 -10.644  -7.601   1.296
  133    HA   GLN  19           HA       GLN  19  -9.650  -5.677  -0.493
  134    HB2  GLN  19           HB2      GLN  19 -10.443  -5.410   2.403
  135    HB3  GLN  19           HB1      GLN  19 -10.249  -4.071   1.290
  136    HG2  GLN  19           HG2      GLN  19 -12.045  -4.870  -0.052
  137    HG3  GLN  19           HG1      GLN  19 -12.190  -6.315   0.923
  138   HE21  GLN  19          HE21      GLN  19 -14.224  -4.442   0.334
  139   HE22  GLN  19          HE22      GLN  19 -14.744  -3.772   1.846
  140    H    ARG  20           HN       ARG  20  -8.431  -6.991   2.549
  141    HA   ARG  20           HA       ARG  20  -6.026  -5.532   2.709
  142    HB2  ARG  20           HB2      ARG  20  -6.075  -8.488   3.267
  143    HB3  ARG  20           HB1      ARG  20  -5.185  -7.227   4.105
  144    HG2  ARG  20           HG2      ARG  20  -7.268  -6.413   5.059
  145    HG3  ARG  20           HG1      ARG  20  -8.156  -7.695   4.224
  146    HD2  ARG  20           HD2      ARG  20  -7.770  -8.344   6.514
  147    HD3  ARG  20           HD1      ARG  20  -6.790  -9.347   5.454
  148    HE   ARG  20           HE       ARG  20  -5.356  -7.081   6.447
  149   HH11  ARG  20          HH11      ARG  20  -6.372 -10.344   7.180
  150   HH12  ARG  20          HH12      ARG  20  -5.135 -10.603   8.368
  151   HH21  ARG  20          HH21      ARG  20  -3.707  -7.415   8.036
  152   HH22  ARG  20          HH22      ARG  20  -3.639  -8.948   8.858
  153    H    ALA  21           HN       ALA  21  -6.842  -8.526   1.078
  154    HA   ALA  21           HA       ALA  21  -4.287  -9.195   0.153
  155    HB1  ALA  21           HB1      ALA  21  -6.937  -9.957  -1.050
  156    HB2  ALA  21           HB2      ALA  21  -6.148 -10.777   0.296
  157    HB3  ALA  21           HB3      ALA  21  -5.398 -10.783  -1.300
  158    H    VAL  22           HN       VAL  22  -6.841  -7.355  -1.439
  159    HA   VAL  22           HA       VAL  22  -5.600  -7.400  -3.986
  160    HB   VAL  22           HB       VAL  22  -7.200  -5.538  -4.561
  161   HG11  VAL  22          HG11      VAL  22  -8.532  -7.885  -3.231
  162   HG12  VAL  22          HG12      VAL  22  -7.666  -8.004  -4.764
  163   HG13  VAL  22          HG13      VAL  22  -9.089  -6.970  -4.635
  164   HG21  VAL  22          HG21      VAL  22  -9.000  -5.089  -2.913
  165   HG22  VAL  22          HG22      VAL  22  -7.426  -4.485  -2.400
  166   HG23  VAL  22          HG23      VAL  22  -8.069  -5.973  -1.700
  167    H    THR  23           HN       THR  23  -5.619  -4.836  -1.458
  168    HA   THR  23           HA       THR  23  -3.664  -3.496  -3.133
  169    HB   THR  23           HB       THR  23  -5.200  -2.005  -2.267
  170    HG1  THR  23           HG1      THR  23  -2.723  -1.744  -0.944
  171   HG21  THR  23          HG21      THR  23  -5.580  -1.556   0.071
  172   HG22  THR  23          HG22      THR  23  -4.372  -2.760   0.506
  173   HG23  THR  23          HG23      THR  23  -5.882  -3.268  -0.248
  174    H    ARG  24           HN       ARG  24  -3.620  -5.726  -0.568
  175    HA   ARG  24           HA       ARG  24  -0.952  -5.271   0.253
  176    HB2  ARG  24           HB2      ARG  24  -2.101  -7.030   1.369
  177    HB3  ARG  24           HB1      ARG  24  -2.586  -7.778  -0.145
  178    HG2  ARG  24           HG2      ARG  24   0.143  -7.832  -0.307
  179    HG3  ARG  24           HG1      ARG  24  -0.149  -8.108   1.412
  180    HD2  ARG  24           HD2      ARG  24  -0.034 -10.147  -0.079
  181    HD3  ARG  24           HD1      ARG  24  -1.433 -10.028   0.991
  182    HE   ARG  24           HE       ARG  24  -2.358  -8.949  -1.296
  183   HH11  ARG  24          HH11      ARG  24  -0.598 -11.913  -0.683
  184   HH12  ARG  24          HH12      ARG  24  -1.332 -12.765  -2.006
  185   HH21  ARG  24          HH21      ARG  24  -3.317 -10.064  -3.044
  186   HH22  ARG  24          HH22      ARG  24  -2.872 -11.715  -3.347
  187    H    LYS  25           HN       LYS  25  -2.442  -6.043  -2.654
  188    HA   LYS  25           HA       LYS  25   0.013  -6.902  -3.914
  189    HB2  LYS  25           HB2      LYS  25  -1.737  -8.354  -4.435
  190    HB3  LYS  25           HB1      LYS  25  -2.923  -7.064  -4.507
  191    HG2  LYS  25           HG2      LYS  25  -2.513  -8.002  -6.689
  192    HG3  LYS  25           HG1      LYS  25  -2.013  -6.316  -6.588
  193    HD2  LYS  25           HD2      LYS  25   0.304  -6.951  -6.442
  194    HD3  LYS  25           HD1      LYS  25  -0.127  -8.652  -6.273
  195    HE2  LYS  25           HE2      LYS  25   0.654  -8.231  -8.516
  196    HE3  LYS  25           HE1      LYS  25  -1.066  -8.609  -8.552
  197    HZ1  LYS  25           HZ1      LYS  25   0.101  -5.883  -8.683
  198    HZ2  LYS  25           HZ2      LYS  25  -1.547  -6.250  -8.736
  199    HZ3  LYS  25           HZ3      LYS  25  -0.528  -6.747  -9.992
  200    H    LEU  26           HN       LEU  26  -2.424  -4.273  -3.809
  201    HA   LEU  26           HA       LEU  26  -1.305  -2.791  -5.947
  202    HB2  LEU  26           HB2      LEU  26  -3.584  -2.431  -5.290
  203    HB3  LEU  26           HB1      LEU  26  -3.090  -1.984  -3.675
  204    HG   LEU  26           HG       LEU  26  -3.826  -0.141  -5.298
  205   HD11  LEU  26          HD11      LEU  26  -1.229   0.257  -3.882
  206   HD12  LEU  26          HD12      LEU  26  -2.768   0.048  -3.047
  207   HD13  LEU  26          HD13      LEU  26  -2.531   1.425  -4.132
  208   HD21  LEU  26          HD21      LEU  26  -2.427  -0.818  -7.180
  209   HD22  LEU  26          HD22      LEU  26  -0.993  -0.468  -6.216
  210   HD23  LEU  26          HD23      LEU  26  -2.098   0.837  -6.660
  211    H    VAL  27           HN       VAL  27  -0.984  -2.320  -2.379
  212    HA   VAL  27           HA       VAL  27   0.834  -0.210  -2.536
  213    HB   VAL  27           HB       VAL  27  -0.083  -0.762  -0.363
  214   HG11  VAL  27          HG11      VAL  27  -0.336  -3.116  -0.471
  215   HG12  VAL  27          HG12      VAL  27   0.773  -2.779   0.861
  216   HG13  VAL  27          HG13      VAL  27   1.393  -3.358  -0.689
  217   HG21  VAL  27          HG21      VAL  27   2.118   0.328  -0.396
  218   HG22  VAL  27          HG22      VAL  27   2.898  -1.259  -0.383
  219   HG23  VAL  27          HG23      VAL  27   1.941  -0.733   1.003
  220    H    LEU  28           HN       LEU  28   1.207  -3.600  -2.726
  221    HA   LEU  28           HA       LEU  28   3.977  -3.871  -2.795
  222    HB2  LEU  28           HB2      LEU  28   1.851  -5.527  -2.840
  223    HB3  LEU  28           HB1      LEU  28   2.319  -5.601  -4.523
  224    HG   LEU  28           HG       LEU  28   4.429  -6.554  -3.987
  225   HD11  LEU  28          HD11      LEU  28   5.082  -5.250  -2.123
  226   HD12  LEU  28          HD12      LEU  28   5.043  -6.932  -1.593
  227   HD13  LEU  28          HD13      LEU  28   3.727  -5.836  -1.159
  228   HD21  LEU  28          HD21      LEU  28   2.201  -7.709  -2.314
  229   HD22  LEU  28          HD22      LEU  28   3.733  -8.535  -2.624
  230   HD23  LEU  28          HD23      LEU  28   2.647  -8.157  -3.964
  231    H    ASP  29           HN       ASP  29   1.617  -3.442  -5.356
  232    HA   ASP  29           HA       ASP  29   3.399  -3.616  -7.546
  233    HB2  ASP  29           HB2      ASP  29   0.877  -3.852  -7.614
  234    HB3  ASP  29           HB1      ASP  29   0.788  -2.106  -7.454
  235    H    GLN  30           HN       GLN  30   2.028  -0.935  -5.726
  236    HA   GLN  30           HA       GLN  30   3.218   1.171  -7.105
  237    HB2  GLN  30           HB2      GLN  30   2.592   0.969  -4.183
  238    HB3  GLN  30           HB1      GLN  30   2.769   2.451  -5.108
  239    HG2  GLN  30           HG2      GLN  30   0.588   0.393  -5.374
  240    HG3  GLN  30           HG1      GLN  30   0.458   2.044  -4.786
  241   HE21  GLN  30          HE21      GLN  30   0.810   0.018  -7.558
  242   HE22  GLN  30          HE22      GLN  30   0.453   1.225  -8.745
  243    H    ALA  31           HN       ALA  31   4.278  -0.609  -4.261
  244    HA   ALA  31           HA       ALA  31   6.674   0.790  -3.775
  245    HB1  ALA  31           HB1      ALA  31   5.588  -0.758  -2.187
  246    HB2  ALA  31           HB2      ALA  31   7.290  -1.153  -2.447
  247    HB3  ALA  31           HB3      ALA  31   6.028  -2.112  -3.235
  248    H    ALA  32           HN       ALA  32   5.769  -1.732  -5.912
  249    HA   ALA  32           HA       ALA  32   8.343  -2.557  -6.730
  250    HB1  ALA  32           HB1      ALA  32   5.515  -2.875  -7.660
  251    HB2  ALA  32           HB2      ALA  32   6.724  -4.107  -7.233
  252    HB3  ALA  32           HB3      ALA  32   6.821  -3.277  -8.786
  253    H    SER  33           HN       SER  33   5.950  -0.270  -7.975
  254    HA   SER  33           HA       SER  33   7.317   0.539 -10.280
  255    HB2  SER  33           HB2      SER  33   5.029   1.139 -10.028
  256    HB3  SER  33           HB1      SER  33   5.324   1.892  -8.461
  257    HG   SER  33           HG       SER  33   6.338   2.827 -10.952
  258    H    VAL  34           HN       VAL  34   7.482   1.592  -6.951
  259    HA   VAL  34           HA       VAL  34   9.165   3.812  -7.249
  260    HB   VAL  34           HB       VAL  34   9.142   1.930  -4.906
  261   HG11  VAL  34          HG11      VAL  34  10.834   3.617  -4.755
  262   HG12  VAL  34          HG12      VAL  34   9.532   4.033  -3.639
  263   HG13  VAL  34          HG13      VAL  34   9.677   4.877  -5.179
  264   HG21  VAL  34          HG21      VAL  34   7.208   4.137  -5.514
  265   HG22  VAL  34          HG22      VAL  34   7.310   3.229  -4.006
  266   HG23  VAL  34          HG23      VAL  34   6.877   2.406  -5.498
  267    H    LEU  35           HN       LEU  35   9.800   0.546  -6.132
  268    HA   LEU  35           HA       LEU  35  12.516   0.908  -5.730
  269    HB2  LEU  35           HB2      LEU  35  10.524  -1.164  -5.614
  270    HB3  LEU  35           HB1      LEU  35  12.120  -1.790  -5.998
  271    HG   LEU  35           HG       LEU  35  12.916  -1.360  -3.893
  272   HD11  LEU  35          HD11      LEU  35  12.016   0.412  -2.395
  273   HD12  LEU  35          HD12      LEU  35  10.947   0.924  -3.707
  274   HD13  LEU  35          HD13      LEU  35  12.697   1.047  -3.891
  275   HD21  LEU  35          HD21      LEU  35  10.943  -1.587  -2.281
  276   HD22  LEU  35          HD22      LEU  35  11.201  -2.855  -3.479
  277   HD23  LEU  35          HD23      LEU  35   9.951  -1.634  -3.748
  278    H    GLY  36           HN       GLY  36  10.794  -0.186  -8.588
  279    HA2  GLY  36           HA2      GLY  36  12.244   0.243 -10.639
  280    HA3  GLY  36           HA1      GLY  36  13.407  -0.766  -9.797
  281    H    TYR  37           HN       TYR  37  10.152  -1.600  -9.420
  282    HA   TYR  37           HA       TYR  37  10.681  -4.051 -10.945
  283    HB2  TYR  37           HB2      TYR  37   8.633  -3.633  -8.775
  284    HB3  TYR  37           HB1      TYR  37   9.229  -5.155  -9.403
  285    HD1  TYR  37           HD1      TYR  37   9.126  -4.268  -6.458
  286    HD2  TYR  37           HD2      TYR  37  12.166  -4.135  -9.413
  287    HE1  TYR  37           HE1      TYR  37  10.822  -4.336  -4.693
  288    HE2  TYR  37           HE2      TYR  37  13.873  -4.184  -7.676
  289    HH   TYR  37           HH       TYR  37  14.114  -3.657  -5.282
  290    H    ALA  38           HN       ALA  38   8.635  -5.125 -11.765
  291    HA   ALA  38           HA       ALA  38   6.701  -3.123 -12.723
  292    HB1  ALA  38           HB1      ALA  38   6.797  -3.980 -14.961
  293    HB2  ALA  38           HB2      ALA  38   7.930  -5.239 -14.474
  294    HB3  ALA  38           HB3      ALA  38   8.430  -3.546 -14.454
  295    H    SER  39           HN       SER  39   7.199  -6.023 -11.184
  296    HA   SER  39           HA       SER  39   4.416  -6.730 -11.422
  297    HB2  SER  39           HB2      SER  39   5.484  -7.850 -13.382
  298    HB3  SER  39           HB1      SER  39   6.537  -8.721 -12.273
  299    HG   SER  39           HG       SER  39   4.236  -9.518 -13.098
  300    H    THR  40           HN       THR  40   6.244  -5.807  -9.401
  301    HA   THR  40           HA       THR  40   7.024  -6.192  -7.301
  302    HB   THR  40           HB       THR  40   5.499  -7.394  -5.799
  303    HG1  THR  40           HG1      THR  40   4.646  -8.516  -8.195
  304   HG21  THR  40          HG21      THR  40   4.922  -5.135  -6.350
  305   HG22  THR  40          HG22      THR  40   3.436  -6.092  -6.350
  306   HG23  THR  40          HG23      THR  40   4.198  -5.645  -7.878
  307    H    GLU  41           HN       GLU  41   8.431  -7.606  -9.130
  308    HA   GLU  41           HA       GLU  41   8.574 -10.378  -8.702
  309    HB2  GLU  41           HB2      GLU  41  10.827 -10.154  -9.829
  310    HB3  GLU  41           HB1      GLU  41   9.446  -9.540 -10.723
  311    HG2  GLU  41           HG2      GLU  41  10.893  -7.600  -9.035
  312    HG3  GLU  41           HG1      GLU  41  11.734  -8.200 -10.461
  313    H    SER  42           HN       SER  42  10.268  -7.714  -7.117
  314    HA   SER  42           HA       SER  42  11.541  -9.715  -5.373
  315    HB2  SER  42           HB2      SER  42  13.148  -8.682  -6.953
  316    HB3  SER  42           HB1      SER  42  12.763  -7.099  -6.281
  317    HG   SER  42           HG       SER  42  13.420  -8.121  -4.190
  318    H    LEU  43           HN       LEU  43   9.121  -8.694  -4.656
  319    HA   LEU  43           HA       LEU  43   9.829  -6.887  -2.454
  320    HB2  LEU  43           HB2      LEU  43   7.243  -7.338  -3.904
  321    HB3  LEU  43           HB1      LEU  43   7.357  -6.431  -2.405
  322    HG   LEU  43           HG       LEU  43   8.930  -5.719  -4.863
  323   HD11  LEU  43          HD11      LEU  43   7.258  -3.988  -5.227
  324   HD12  LEU  43          HD12      LEU  43   6.285  -4.665  -3.919
  325   HD13  LEU  43          HD13      LEU  43   6.582  -5.612  -5.376
  326   HD21  LEU  43          HD21      LEU  43   9.099  -3.564  -3.701
  327   HD22  LEU  43          HD22      LEU  43   9.821  -4.887  -2.786
  328   HD23  LEU  43          HD23      LEU  43   8.238  -4.259  -2.329
  329    H    ASP  44           HN       ASP  44   8.393  -7.113  -0.537
  330    HA   ASP  44           HA       ASP  44   7.404  -9.825  -0.074
  331    HB2  ASP  44           HB2      ASP  44   9.844  -9.228   0.934
  332    HB3  ASP  44           HB1      ASP  44   8.831  -8.536   2.193
  333    H    THR  45           HN       THR  45   5.674  -9.890   1.386
  334    HA   THR  45           HA       THR  45   4.646  -7.258   2.182
  335    HB   THR  45           HB       THR  45   2.491  -8.502   2.579
  336    HG1  THR  45           HG1      THR  45   3.449 -10.529   0.887
  337   HG21  THR  45          HG21      THR  45   3.650  -8.439  -0.195
  338   HG22  THR  45          HG22      THR  45   2.742  -7.163   0.617
  339   HG23  THR  45          HG23      THR  45   1.940  -8.667   0.168
  340    H    HIS  46           HN       HIS  46   6.275  -9.906   3.359
  341    HA   HIS  46           HA       HIS  46   5.142  -9.664   6.057
  342    HB2  HIS  46           HB2      HIS  46   7.087 -11.671   4.886
  343    HB3  HIS  46           HB1      HIS  46   6.552 -11.664   6.557
  344    HD1  HIS  46           HD1      HIS  46   4.880 -13.428   6.926
  345    HD2  HIS  46           HD2      HIS  46   4.516 -11.714   3.161
  346    HE1  HIS  46           HE1      HIS  46   2.966 -14.628   5.824
  347    HE2  HIS  46           HE2      HIS  46   2.846 -13.665   3.498
  348    H    GLU  47           HN       GLU  47   7.531  -8.379   4.158
  349    HA   GLU  47           HA       GLU  47   9.261  -7.841   6.465
  350    HB2  GLU  47           HB2      GLU  47  11.069  -8.388   5.269
  351    HB3  GLU  47           HB1      GLU  47   9.971  -9.093   4.102
  352    HG2  GLU  47           HG2      GLU  47   9.976  -6.983   2.843
  353    HG3  GLU  47           HG1      GLU  47  11.109  -6.306   4.018
  354    H    SER  48           HN       SER  48  10.184  -5.707   6.534
  355    HA   SER  48           HA       SER  48   8.048  -3.848   5.922
  356    HB2  SER  48           HB2      SER  48  10.565  -3.256   7.467
  357    HB3  SER  48           HB1      SER  48   8.989  -2.473   7.590
  358    HG   SER  48           HG       SER  48   8.632  -5.054   8.062
  359    H    PHE  49           HN       PHE  49   8.297  -1.892   4.893
  360    HA   PHE  49           HA       PHE  49   9.662  -1.847   2.498
  361    HB2  PHE  49           HB2      PHE  49   8.708   0.511   4.105
  362    HB3  PHE  49           HB1      PHE  49   9.158   0.564   2.406
  363    HD1  PHE  49           HD1      PHE  49   7.730  -0.297   0.726
  364    HD2  PHE  49           HD2      PHE  49   6.675  -0.616   4.826
  365    HE1  PHE  49           HE1      PHE  49   5.454  -0.926   0.086
  366    HE2  PHE  49           HE2      PHE  49   4.385  -1.249   4.193
  367    HZ   PHE  49           HZ       PHE  49   3.729  -1.279   1.880
  368    H    LYS  50           HN       LYS  50  10.704  -0.659   5.591
  369    HA   LYS  50           HA       LYS  50  13.023   0.627   5.147
  370    HB2  LYS  50           HB2      LYS  50  12.072  -0.161   7.329
  371    HB3  LYS  50           HB1      LYS  50  12.721  -1.752   6.968
  372    HG2  LYS  50           HG2      LYS  50  14.148  -0.560   8.501
  373    HG3  LYS  50           HG1      LYS  50  14.974  -0.871   6.978
  374    HD2  LYS  50           HD2      LYS  50  15.460   1.379   7.760
  375    HD3  LYS  50           HD1      LYS  50  14.508   1.442   6.277
  376    HE2  LYS  50           HE2      LYS  50  12.494   1.877   7.557
  377    HE3  LYS  50           HE1      LYS  50  13.395   1.722   9.064
  378    HZ1  LYS  50           HZ1      LYS  50  14.658   3.665   8.508
  379    HZ2  LYS  50           HZ2      LYS  50  13.015   4.039   8.401
  380    HZ3  LYS  50           HZ3      LYS  50  13.918   3.785   6.995
  381    H    ASP  51           HN       ASP  51  12.655  -2.864   5.194
  382    HA   ASP  51           HA       ASP  51  15.283  -3.421   4.286
  383    HB2  ASP  51           HB2      ASP  51  13.629  -4.903   5.629
  384    HB3  ASP  51           HB1      ASP  51  13.011  -5.351   4.048
  385    H    LEU  52           HN       LEU  52  12.276  -2.772   2.701
  386    HA   LEU  52           HA       LEU  52  12.928  -3.872   0.162
  387    HB2  LEU  52           HB2      LEU  52  10.866  -1.958   1.170
  388    HB3  LEU  52           HB1      LEU  52  11.066  -2.186  -0.540
  389    HG   LEU  52           HG       LEU  52  10.537  -4.582  -0.290
  390   HD11  LEU  52          HD11      LEU  52  10.136  -3.831   2.584
  391   HD12  LEU  52          HD12      LEU  52  11.295  -4.994   1.934
  392   HD13  LEU  52          HD13      LEU  52   9.563  -5.328   1.853
  393   HD21  LEU  52          HD21      LEU  52   8.176  -4.337   0.338
  394   HD22  LEU  52          HD22      LEU  52   8.717  -3.095  -0.801
  395   HD23  LEU  52          HD23      LEU  52   8.523  -2.705   0.910
  396    H    GLY  53           HN       GLY  53  13.768  -1.048   1.865
  397    HA2  GLY  53           HA2      GLY  53  15.748   0.077   1.112
  398    HA3  GLY  53           HA1      GLY  53  15.169  -0.085  -0.532
  399    H    PHE  54           HN       PHE  54  12.627   0.762   1.540
  400    HA   PHE  54           HA       PHE  54  12.501   3.335   0.331
  401    HB2  PHE  54           HB2      PHE  54  10.759   2.000   2.409
  402    HB3  PHE  54           HB1      PHE  54  10.455   3.607   1.762
  403    HD1  PHE  54           HD1      PHE  54   9.659   3.936  -0.436
  404    HD2  PHE  54           HD2      PHE  54  10.599   0.040   0.962
  405    HE1  PHE  54           HE1      PHE  54   8.546   2.984  -2.388
  406    HE2  PHE  54           HE2      PHE  54   9.488  -0.943  -0.986
  407    HZ   PHE  54           HZ       PHE  54   8.470   0.524  -2.698
  408    H    ASP  55           HN       ASP  55  12.201   5.332   1.480
  409    HA   ASP  55           HA       ASP  55  13.382   5.743   4.050
  410    HB2  ASP  55           HB2      ASP  55  15.350   5.302   2.399
  411    HB3  ASP  55           HB1      ASP  55  14.946   6.885   1.739
  412    H    SER  56           HN       SER  56  14.205   8.462   3.528
  413    HA   SER  56           HA       SER  56  11.585   9.668   3.343
  414    HB2  SER  56           HB2      SER  56  14.296  10.964   3.722
  415    HB3  SER  56           HB1      SER  56  12.730  11.728   3.994
  416    HG   SER  56           HG       SER  56  14.147   9.987   5.587
  417    H    LEU  57           HN       LEU  57  12.410   8.459   0.983
  418    HA   LEU  57           HA       LEU  57  12.233  10.663  -0.905
  419    HB2  LEU  57           HB2      LEU  57  14.034   8.290  -1.228
  420    HB3  LEU  57           HB1      LEU  57  13.860   9.612  -2.362
  421    HG   LEU  57           HG       LEU  57  14.935   9.923   0.431
  422   HD11  LEU  57          HD11      LEU  57  16.389   8.442  -0.814
  423   HD12  LEU  57          HD12      LEU  57  17.154  10.021  -0.633
  424   HD13  LEU  57          HD13      LEU  57  16.420   9.567  -2.171
  425   HD21  LEU  57          HD21      LEU  57  14.042  11.957  -0.529
  426   HD22  LEU  57          HD22      LEU  57  14.995  11.716  -1.995
  427   HD23  LEU  57          HD23      LEU  57  15.801  12.043  -0.460
  428    H    THR  58           HN       THR  58  12.624   7.144  -0.921
  429    HA   THR  58           HA       THR  58  10.842   6.745  -3.082
  430    HB   THR  58           HB       THR  58  11.062   4.287  -2.270
  431    HG1  THR  58           HG1      THR  58  13.378   4.777  -0.995
  432   HG21  THR  58          HG21      THR  58  13.514   5.855  -3.072
  433   HG22  THR  58          HG22      THR  58  12.283   5.233  -4.171
  434   HG23  THR  58          HG23      THR  58  13.289   4.114  -3.252
  435    H    ALA  59           HN       ALA  59  10.541   6.276   0.414
  436    HA   ALA  59           HA       ALA  59   8.020   5.142   0.495
  437    HB1  ALA  59           HB1      ALA  59   9.523   5.473   2.459
  438    HB2  ALA  59           HB2      ALA  59   7.862   5.990   2.759
  439    HB3  ALA  59           HB3      ALA  59   9.117   7.189   2.435
  440    H    LEU  60           HN       LEU  60   9.058   8.413   0.001
  441    HA   LEU  60           HA       LEU  60   6.578   9.683   0.400
  442    HB2  LEU  60           HB2      LEU  60   9.077  10.490  -1.066
  443    HB3  LEU  60           HB1      LEU  60   7.690  11.552  -0.912
  444    HG   LEU  60           HG       LEU  60   9.424  12.093   0.742
  445   HD11  LEU  60          HD11      LEU  60   7.079  12.497   1.293
  446   HD12  LEU  60          HD12      LEU  60   8.040  12.096   2.717
  447   HD13  LEU  60          HD13      LEU  60   6.981  10.884   2.002
  448   HD21  LEU  60          HD21      LEU  60   9.873  10.565   2.598
  449   HD22  LEU  60          HD22      LEU  60  10.404   9.895   1.054
  450   HD23  LEU  60          HD23      LEU  60   8.909   9.323   1.798
  451    H    GLU  61           HN       GLU  61   8.243   8.604  -2.565
  452    HA   GLU  61           HA       GLU  61   6.030   9.397  -4.206
  453    HB2  GLU  61           HB2      GLU  61   7.171   7.933  -5.948
  454    HB3  GLU  61           HB1      GLU  61   8.079   9.325  -5.361
  455    HG2  GLU  61           HG2      GLU  61   9.443   7.947  -3.992
  456    HG3  GLU  61           HG1      GLU  61   8.422   6.543  -4.289
  457    H    LEU  62           HN       LEU  62   6.989   6.442  -2.574
  458    HA   LEU  62           HA       LEU  62   5.032   4.743  -3.719
  459    HB2  LEU  62           HB2      LEU  62   6.790   3.810  -2.367
  460    HB3  LEU  62           HB1      LEU  62   6.267   4.740  -0.979
  461    HG   LEU  62           HG       LEU  62   4.165   3.493  -0.912
  462   HD11  LEU  62          HD11      LEU  62   5.338   1.987  -3.226
  463   HD12  LEU  62          HD12      LEU  62   3.899   3.005  -3.241
  464   HD13  LEU  62          HD13      LEU  62   3.909   1.499  -2.318
  465   HD21  LEU  62          HD21      LEU  62   6.525   1.649  -1.039
  466   HD22  LEU  62          HD22      LEU  62   5.054   1.452  -0.082
  467   HD23  LEU  62          HD23      LEU  62   6.190   2.748   0.295
  468    H    ARG  63           HN       ARG  63   5.037   6.746  -0.824
  469    HA   ARG  63           HA       ARG  63   2.456   6.251   0.099
  470    HB2  ARG  63           HB2      ARG  63   3.883   7.475   1.507
  471    HB3  ARG  63           HB1      ARG  63   4.373   8.564   0.220
  472    HG2  ARG  63           HG2      ARG  63   1.831   9.260   0.289
  473    HG3  ARG  63           HG1      ARG  63   1.960   8.644   1.940
  474    HD2  ARG  63           HD2      ARG  63   2.416  11.061   1.797
  475    HD3  ARG  63           HD1      ARG  63   3.795  10.144   2.396
  476    HE   ARG  63           HE       ARG  63   4.513  10.279  -0.096
  477   HH11  ARG  63          HH11      ARG  63   2.943  12.795   1.769
  478   HH12  ARG  63          HH12      ARG  63   3.592  14.083   0.806
  479   HH21  ARG  63          HH21      ARG  63   5.370  11.981  -1.362
  480   HH22  ARG  63          HH22      ARG  63   4.976  13.622  -0.961
  481    H    ASP  64           HN       ASP  64   3.794   8.604  -2.135
  482    HA   ASP  64           HA       ASP  64   1.496   9.912  -2.945
  483    HB2  ASP  64           HB2      ASP  64   3.895  10.494  -3.448
  484    HB3  ASP  64           HB1      ASP  64   3.846   9.256  -4.692
  485    H    HIS  65           HN       HIS  65   2.990   6.942  -4.132
  486    HA   HIS  65           HA       HIS  65   1.267   6.442  -6.282
  487    HB2  HIS  65           HB2      HIS  65   2.845   4.586  -4.545
  488    HB3  HIS  65           HB1      HIS  65   1.966   4.057  -5.957
  489    HD1  HIS  65           HD1      HIS  65   2.972   6.746  -7.617
  490    HD2  HIS  65           HD2      HIS  65   5.215   3.868  -5.666
  491    HE1  HIS  65           HE1      HIS  65   5.269   6.822  -8.668
  492    HE2  HIS  65           HE2      HIS  65   6.638   5.189  -7.367
  493    H    LEU  66           HN       LEU  66   1.057   5.474  -2.850
  494    HA   LEU  66           HA       LEU  66  -1.151   3.740  -3.203
  495    HB2  LEU  66           HB2      LEU  66   0.043   5.180  -0.885
  496    HB3  LEU  66           HB1      LEU  66  -1.483   4.356  -0.686
  497    HG   LEU  66           HG       LEU  66  -0.541   2.252  -0.855
  498   HD11  LEU  66          HD11      LEU  66   1.628   1.760  -1.863
  499   HD12  LEU  66          HD12      LEU  66   1.839   3.470  -2.244
  500   HD13  LEU  66          HD13      LEU  66   0.547   2.547  -3.009
  501   HD21  LEU  66          HD21      LEU  66   1.625   4.018   0.251
  502   HD22  LEU  66          HD22      LEU  66   1.545   2.269   0.466
  503   HD23  LEU  66          HD23      LEU  66   0.283   3.301   1.140
  504    H    GLN  67           HN       GLN  67  -0.917   7.147  -2.421
  505    HA   GLN  67           HA       GLN  67  -3.716   7.533  -1.966
  506    HB2  GLN  67           HB2      GLN  67  -1.808   9.682  -2.830
  507    HB3  GLN  67           HB1      GLN  67  -3.218   9.826  -1.787
  508    HG2  GLN  67           HG2      GLN  67  -2.147   8.880   0.017
  509    HG3  GLN  67           HG1      GLN  67  -0.951   8.095  -1.019
  510   HE21  GLN  67          HE21      GLN  67  -0.297  10.358  -2.566
  511   HE22  GLN  67          HE22      GLN  67   0.597  11.432  -1.566
  512    H    THR  68           HN       THR  68  -1.554   7.811  -4.712
  513    HA   THR  68           HA       THR  68  -3.390   8.855  -6.540
  514    HB   THR  68           HB       THR  68  -0.816   7.364  -6.586
  515    HG1  THR  68           HG1      THR  68  -0.520   9.489  -6.268
  516   HG21  THR  68          HG21      THR  68  -0.692   7.536  -9.024
  517   HG22  THR  68          HG22      THR  68  -2.360   8.110  -9.067
  518   HG23  THR  68          HG23      THR  68  -2.001   6.476  -8.508
  519    H    ALA  69           HN       ALA  69  -2.255   5.647  -5.826
  520    HA   ALA  69           HA       ALA  69  -3.825   4.113  -7.473
  521    HB1  ALA  69           HB1      ALA  69  -3.353   2.296  -5.920
  522    HB2  ALA  69           HB2      ALA  69  -2.818   3.479  -4.722
  523    HB3  ALA  69           HB3      ALA  69  -1.926   3.288  -6.230
  524    H    THR  70           HN       THR  70  -4.503   5.060  -4.108
  525    HA   THR  70           HA       THR  70  -7.070   3.667  -4.244
  526    HB   THR  70           HB       THR  70  -7.199   4.050  -1.839
  527    HG1  THR  70           HG1      THR  70  -4.670   5.310  -1.878
  528   HG21  THR  70          HG21      THR  70  -5.229   2.830  -1.122
  529   HG22  THR  70          HG22      THR  70  -4.401   3.249  -2.622
  530   HG23  THR  70          HG23      THR  70  -5.807   2.180  -2.658
  531    H    GLY  71           HN       GLY  71  -5.778   6.891  -3.957
  532    HA2  GLY  71           HA2      GLY  71  -6.929   8.862  -4.553
  533    HA3  GLY  71           HA1      GLY  71  -8.456   8.007  -4.358
  534    H    LEU  72           HN       LEU  72  -6.612   7.155  -1.820
  535    HA   LEU  72           HA       LEU  72  -8.263   8.802  -0.068
  536    HB2  LEU  72           HB2      LEU  72  -6.688   6.268   0.267
  537    HB3  LEU  72           HB1      LEU  72  -7.252   7.161   1.663
  538    HG   LEU  72           HG       LEU  72  -8.705   5.242   1.041
  539   HD11  LEU  72          HD11      LEU  72  -9.594   7.138   2.302
  540   HD12  LEU  72          HD12      LEU  72 -10.812   6.387   1.270
  541   HD13  LEU  72          HD13      LEU  72 -10.063   7.915   0.787
  542   HD21  LEU  72          HD21      LEU  72  -8.484   5.356  -1.385
  543   HD22  LEU  72          HD22      LEU  72  -9.374   6.876  -1.396
  544   HD23  LEU  72          HD23      LEU  72 -10.173   5.390  -0.883
  545    H    ASN  73           HN       ASN  73  -6.730   8.806   2.246
  546    HA   ASN  73           HA       ASN  73  -4.608  10.668   1.413
  547    HB2  ASN  73           HB2      ASN  73  -6.678  11.778   2.302
  548    HB3  ASN  73           HB1      ASN  73  -6.373  10.982   3.844
  549   HD21  ASN  73          HD21      ASN  73  -5.332  13.434   1.630
  550   HD22  ASN  73          HD22      ASN  73  -4.240  14.232   2.709
  551    H    LEU  74           HN       LEU  74  -2.865   9.392   1.732
  552    HA   LEU  74           HA       LEU  74  -2.573   8.042   4.289
  553    HB2  LEU  74           HB2      LEU  74  -0.980   7.866   1.739
  554    HB3  LEU  74           HB1      LEU  74  -0.603   6.977   3.209
  555    HG   LEU  74           HG       LEU  74  -3.082   6.124   2.950
  556   HD11  LEU  74          HD11      LEU  74  -3.796   5.855   0.655
  557   HD12  LEU  74          HD12      LEU  74  -2.363   6.714   0.079
  558   HD13  LEU  74          HD13      LEU  74  -3.592   7.572   1.008
  559   HD21  LEU  74          HD21      LEU  74  -0.672   5.191   1.435
  560   HD22  LEU  74          HD22      LEU  74  -2.176   4.277   1.506
  561   HD23  LEU  74          HD23      LEU  74  -1.284   4.619   2.989
  562    H    SER  75           HN       SER  75   0.404   8.125   4.301
  563    HA   SER  75           HA       SER  75   0.659  10.925   5.145
  564    HB2  SER  75           HB2      SER  75  -0.192   9.629   7.080
  565    HB3  SER  75           HB1      SER  75   1.228   8.590   6.982
  566    HG   SER  75           HG       SER  75   0.960  10.988   8.166
  567    H    SER  76           HN       SER  76   2.937  11.383   5.986
  568    HA   SER  76           HA       SER  76   4.723  10.920   3.877
  569    HB2  SER  76           HB2      SER  76   6.385  11.910   5.639
  570    HB3  SER  76           HB1      SER  76   5.069  12.910   5.020
  571    HG   SER  76           HG       SER  76   5.543  12.505   7.493
  572    H    THR  77           HN       THR  77   4.663   9.574   7.152
  573    HA   THR  77           HA       THR  77   6.831   7.723   6.425
  574    HB   THR  77           HB       THR  77   6.736   7.306   9.005
  575    HG1  THR  77           HG1      THR  77   5.271   8.529   9.932
  576   HG21  THR  77          HG21      THR  77   8.311   9.177   9.347
  577   HG22  THR  77          HG22      THR  77   7.810   9.850   7.793
  578   HG23  THR  77          HG23      THR  77   8.629   8.291   7.856
  579    H    LEU  78           HN       LEU  78   4.228   7.506   5.526
  580    HA   LEU  78           HA       LEU  78   2.362   5.985   6.792
  581    HB2  LEU  78           HB2      LEU  78   2.217   7.074   4.592
  582    HB3  LEU  78           HB1      LEU  78   3.284   5.867   3.940
  583    HG   LEU  78           HG       LEU  78   0.681   5.797   3.590
  584   HD11  LEU  78          HD11      LEU  78   2.508   3.458   3.973
  585   HD12  LEU  78          HD12      LEU  78   2.107   4.311   2.469
  586   HD13  LEU  78          HD13      LEU  78   0.885   3.334   3.292
  587   HD21  LEU  78          HD21      LEU  78  -0.135   3.954   5.205
  588   HD22  LEU  78          HD22      LEU  78  -0.174   5.644   5.701
  589   HD23  LEU  78          HD23      LEU  78   1.122   4.589   6.276
  590    H    ILE  79           HN       ILE  79   4.884   4.664   4.667
  591    HA   ILE  79           HA       ILE  79   4.346   1.958   5.468
  592    HB   ILE  79           HB       ILE  79   6.153   1.368   3.979
  593   HG12  ILE  79          HG12      ILE  79   6.755   4.312   4.026
  594   HG13  ILE  79          HG11      ILE  79   7.833   2.978   4.428
  595   HG21  ILE  79          HG21      ILE  79   4.449   3.598   2.896
  596   HG22  ILE  79          HG22      ILE  79   4.055   1.876   2.924
  597   HG23  ILE  79          HG23      ILE  79   5.386   2.461   1.922
  598   HD11  ILE  79          HD11      ILE  79   6.831   3.839   1.746
  599   HD12  ILE  79          HD12      ILE  79   7.599   2.269   2.017
  600   HD13  ILE  79          HD13      ILE  79   8.497   3.757   2.321
  601    H    PHE  80           HN       PHE  80   5.787   4.236   7.212
  602    HA   PHE  80           HA       PHE  80   7.605   2.289   8.453
  603    HB2  PHE  80           HB2      PHE  80   7.773   5.310   8.464
  604    HB3  PHE  80           HB1      PHE  80   8.850   4.239   9.356
  605    HD1  PHE  80           HD1      PHE  80   9.068   6.310   6.823
  606    HD2  PHE  80           HD2      PHE  80   9.370   2.110   7.435
  607    HE1  PHE  80           HE1      PHE  80  10.472   6.120   4.816
  608    HE2  PHE  80           HE2      PHE  80  10.775   1.901   5.427
  609    HZ   PHE  80           HZ       PHE  80  11.337   3.917   4.118
  610    H    ASP  81           HN       ASP  81   4.795   4.010   8.593
  611    HA   ASP  81           HA       ASP  81   4.400   3.852  11.451
  612    HB2  ASP  81           HB2      ASP  81   3.284   5.450   9.594
  613    HB3  ASP  81           HB1      ASP  81   2.156   4.112   9.541
  614    H    HIS  82           HN       HIS  82   3.537   2.340   8.475
  615    HA   HIS  82           HA       HIS  82   2.600  -0.065   9.853
  616    HB2  HIS  82           HB2      HIS  82   1.760   0.889   7.105
  617    HB3  HIS  82           HB1      HIS  82   1.042  -0.407   8.051
  618    HD1  HIS  82           HD1      HIS  82  -0.477   0.297  10.073
  619    HD2  HIS  82           HD2      HIS  82   0.949   3.451   7.755
  620    HE1  HIS  82           HE1      HIS  82  -1.727   2.330  10.859
  621    HE2  HIS  82           HE2      HIS  82  -0.668   4.251   9.620
  622    HA   PRO  83           HA       PRO  83   6.605  -0.947   8.450
  623    HB2  PRO  83           HB2      PRO  83   6.646  -3.628   9.070
  624    HB3  PRO  83           HB1      PRO  83   6.863  -2.327  10.246
  625    HG2  PRO  83           HG2      PRO  83   4.386  -3.882   9.577
  626    HG3  PRO  83           HG1      PRO  83   5.013  -3.399  11.168
  627    HD2  PRO  83           HD2      PRO  83   3.017  -2.048  10.001
  628    HD3  PRO  83           HD1      PRO  83   4.265  -1.212  10.932
  629    H    THR  84           HN       THR  84   4.064  -3.179   7.354
  630    HA   THR  84           HA       THR  84   5.766  -3.796   5.052
  631    HB   THR  84           HB       THR  84   4.746  -6.008   5.007
  632    HG1  THR  84           HG1      THR  84   3.589  -6.395   7.231
  633   HG21  THR  84          HG21      THR  84   5.817  -5.354   7.756
  634   HG22  THR  84          HG22      THR  84   6.805  -5.665   6.330
  635   HG23  THR  84          HG23      THR  84   5.790  -6.946   6.995
  636    HA   PRO  85           HA       PRO  85   2.450  -2.628   2.338
  637    HB2  PRO  85           HB2      PRO  85   2.799  -5.218   0.960
  638    HB3  PRO  85           HB1      PRO  85   2.946  -3.586   0.316
  639    HG2  PRO  85           HG2      PRO  85   5.087  -5.166   0.740
  640    HG3  PRO  85           HG1      PRO  85   5.152  -3.402   0.901
  641    HD2  PRO  85           HD2      PRO  85   5.079  -5.490   3.008
  642    HD3  PRO  85           HD1      PRO  85   5.868  -3.908   3.017
  643    H    HIS  86           HN       HIS  86   2.621  -5.489   4.103
  644    HA   HIS  86           HA       HIS  86  -0.090  -6.380   3.733
  645    HB2  HIS  86           HB2      HIS  86   1.255  -8.096   4.481
  646    HB3  HIS  86           HB1      HIS  86   2.224  -7.048   5.483
  647    HD1  HIS  86           HD1      HIS  86  -0.480  -9.493   5.641
  648    HD2  HIS  86           HD2      HIS  86   0.910  -6.353   7.994
  649    HE1  HIS  86           HE1      HIS  86  -1.450  -9.882   7.925
  650    HE2  HIS  86           HE2      HIS  86  -0.457  -8.078   9.377
  651    H    ALA  87           HN       ALA  87   1.723  -4.547   6.135
  652    HA   ALA  87           HA       ALA  87  -0.508  -4.051   7.855
  653    HB1  ALA  87           HB1      ALA  87   2.157  -2.640   7.737
  654    HB2  ALA  87           HB2      ALA  87   1.830  -4.107   8.662
  655    HB3  ALA  87           HB3      ALA  87   1.010  -2.602   9.077
  656    H    VAL  88           HN       VAL  88   0.808  -2.665   5.084
  657    HA   VAL  88           HA       VAL  88  -0.349  -0.040   5.505
  658    HB   VAL  88           HB       VAL  88   1.149  -1.283   3.221
  659   HG11  VAL  88          HG11      VAL  88   0.058   1.502   3.459
  660   HG12  VAL  88          HG12      VAL  88  -0.412   0.268   2.289
  661   HG13  VAL  88          HG13      VAL  88   1.205   0.972   2.228
  662   HG21  VAL  88          HG21      VAL  88   2.524  -0.797   5.145
  663   HG22  VAL  88          HG22      VAL  88   1.911   0.861   5.190
  664   HG23  VAL  88          HG23      VAL  88   2.902   0.323   3.835
  665    H    ALA  89           HN       ALA  89  -0.827  -2.847   3.431
  666    HA   ALA  89           HA       ALA  89  -2.937  -1.787   1.936
  667    HB1  ALA  89           HB1      ALA  89  -2.445  -4.660   2.689
  668    HB2  ALA  89           HB2      ALA  89  -1.802  -3.816   1.277
  669    HB3  ALA  89           HB3      ALA  89  -3.538  -4.093   1.421
  670    H    GLU  90           HN       GLU  90  -2.941  -3.540   5.073
  671    HA   GLU  90           HA       GLU  90  -5.802  -3.500   5.215
  672    HB2  GLU  90           HB2      GLU  90  -5.427  -4.060   7.632
  673    HB3  GLU  90           HB1      GLU  90  -4.673  -5.167   6.491
  674    HG2  GLU  90           HG2      GLU  90  -2.537  -4.114   6.830
  675    HG3  GLU  90           HG1      GLU  90  -3.258  -2.934   7.919
  676    H    HIS  91           HN       HIS  91  -3.230  -1.363   6.077
  677    HA   HIS  91           HA       HIS  91  -4.716   0.479   7.570
  678    HB2  HIS  91           HB2      HIS  91  -2.363   0.666   7.704
  679    HB3  HIS  91           HB1      HIS  91  -2.190   0.728   5.948
  680    HD1  HIS  91           HD1      HIS  91  -3.543   2.857   8.810
  681    HD2  HIS  91           HD2      HIS  91  -2.195   3.192   4.894
  682    HE1  HIS  91           HE1      HIS  91  -3.459   5.325   8.338
  683    HE2  HIS  91           HE2      HIS  91  -2.782   5.509   5.927
  684    H    LEU  92           HN       LEU  92  -4.500  -0.189   4.192
  685    HA   LEU  92           HA       LEU  92  -5.640   2.286   3.360
  686    HB2  LEU  92           HB2      LEU  92  -4.876  -0.265   2.052
  687    HB3  LEU  92           HB1      LEU  92  -6.104   0.708   1.254
  688    HG   LEU  92           HG       LEU  92  -4.645   2.474   0.855
  689   HD11  LEU  92          HD11      LEU  92  -3.712   2.954   2.950
  690   HD12  LEU  92          HD12      LEU  92  -2.331   2.506   1.945
  691   HD13  LEU  92          HD13      LEU  92  -2.995   1.348   3.092
  692   HD21  LEU  92          HD21      LEU  92  -2.633   1.515  -0.125
  693   HD22  LEU  92          HD22      LEU  92  -4.061   0.548  -0.499
  694   HD23  LEU  92          HD23      LEU  92  -2.931   0.010   0.744
  695    H    LEU  93           HN       LEU  93  -6.839  -0.557   4.725
  696    HA   LEU  93           HA       LEU  93  -9.533  -0.412   3.730
  697    HB2  LEU  93           HB2      LEU  93  -8.291  -1.810   6.072
  698    HB3  LEU  93           HB1      LEU  93 -10.021  -1.820   5.807
  699    HG   LEU  93           HG       LEU  93  -9.845  -3.190   3.919
  700   HD11  LEU  93          HD11      LEU  93  -6.907  -2.511   3.874
  701   HD12  LEU  93          HD12      LEU  93  -8.133  -2.044   2.690
  702   HD13  LEU  93          HD13      LEU  93  -7.671  -3.740   2.856
  703   HD21  LEU  93          HD21      LEU  93  -9.353  -4.311   6.047
  704   HD22  LEU  93          HD22      LEU  93  -7.629  -4.048   5.764
  705   HD23  LEU  93          HD23      LEU  93  -8.559  -5.084   4.676
  706    H    GLU  94           HN       GLU  94  -7.675   0.840   6.308
  707    HA   GLU  94           HA       GLU  94  -9.636   1.850   8.017
  708    HB2  GLU  94           HB2      GLU  94  -6.834   2.654   7.321
  709    HB3  GLU  94           HB1      GLU  94  -7.759   3.531   8.545
  710    HG2  GLU  94           HG2      GLU  94  -6.964   0.631   8.579
  711    HG3  GLU  94           HG1      GLU  94  -6.346   1.915   9.613
  712    H    GLN  95           HN       GLN  95  -8.410   2.936   4.972
  713    HA   GLN  95           HA       GLN  95  -9.489   5.594   5.153
  714    HB2  GLN  95           HB2      GLN  95  -8.524   4.225   2.664
  715    HB3  GLN  95           HB1      GLN  95  -8.386   5.920   3.113
  716    HG2  GLN  95           HG2      GLN  95  -6.940   3.718   4.546
  717    HG3  GLN  95           HG1      GLN  95  -6.262   4.583   3.178
  718   HE21  GLN  95          HE21      GLN  95  -5.474   4.367   5.983
  719   HE22  GLN  95          HE22      GLN  95  -5.341   5.990   6.563
  720    H    ILE  96           HN       ILE  96 -10.518   2.491   4.191
  721    HA   ILE  96           HA       ILE  96 -12.203   3.211   2.019
  722    HB   ILE  96           HB       ILE  96 -11.983   0.668   3.610
  723   HG12  ILE  96          HG12      ILE  96  -9.905   1.541   2.610
  724   HG13  ILE  96          HG11      ILE  96 -10.390  -0.009   1.964
  725   HG21  ILE  96          HG21      ILE  96 -14.033   0.829   2.201
  726   HG22  ILE  96          HG22      ILE  96 -12.938  -0.488   1.775
  727   HG23  ILE  96          HG23      ILE  96 -12.970   0.979   0.798
  728   HD11  ILE  96          HD11      ILE  96 -11.151   0.992  -0.051
  729   HD12  ILE  96          HD12      ILE  96  -9.540   1.634   0.291
  730   HD13  ILE  96          HD13      ILE  96 -10.973   2.612   0.625
  731    HA   PRO  97           HA       PRO  97 -15.779   4.451   4.144
  732    HB2  PRO  97           HB2      PRO  97 -17.554   4.329   2.162
  733    HB3  PRO  97           HB1      PRO  97 -16.168   5.428   2.092
  734    HG2  PRO  97           HG2      PRO  97 -16.459   2.704   0.876
  735    HG3  PRO  97           HG1      PRO  97 -15.925   4.201   0.105
  736    HD2  PRO  97           HD2      PRO  97 -14.192   2.362   1.017
  737    HD3  PRO  97           HD1      PRO  97 -13.842   4.087   1.058
  738    H    GLY  98           HN       GLY  98 -15.949   2.590   5.634
  739    HA2  GLY  98           HA2      GLY  98 -17.574   1.389   6.775
  740    HA3  GLY  98           HA1      GLY  98 -18.618   1.529   5.372
  741    H    ILE  99           HN       ILE  99 -17.650   0.239   3.426
  742    HA   ILE  99           HA       ILE  99 -17.855  -2.482   3.795
  743    HB   ILE  99           HB       ILE  99 -16.530  -2.682   1.671
  744   HG12  ILE  99          HG12      ILE  99 -16.261   0.249   2.110
  745   HG13  ILE  99          HG11      ILE  99 -14.983  -0.928   2.012
  746   HG21  ILE  99          HG21      ILE  99 -18.958  -2.340   1.634
  747   HG22  ILE  99          HG22      ILE  99 -18.155  -1.597   0.252
  748   HG23  ILE  99          HG23      ILE  99 -18.692  -0.597   1.604
  749   HD11  ILE  99          HD11      ILE  99 -16.761  -0.162  -0.276
  750   HD12  ILE  99          HD12      ILE  99 -15.351  -1.227  -0.317
  751   HD13  ILE  99          HD13      ILE  99 -15.150   0.493   0.041
  752    H    GLY 100           HN       GLY 100 -15.044  -0.444   4.021
  753    HA2  GLY 100           HA2      GLY 100 -13.330  -2.769   4.509
  754    HA3  GLY 100           HA1      GLY 100 -12.812  -1.227   3.822
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -16.455  14.163  -3.952
    2    H2   GLY   1           HT2      GLY   1 -15.679  14.408  -2.475
    3    H3   GLY   1           HT3      GLY   1 -17.005  13.366  -2.567
    4    HA2  GLY   1           HA1      GLY   1 -14.963  12.103  -2.434
    5    HA3  GLY   1           HA2      GLY   1 -15.770  11.857  -3.976
    6    H    SER   2           HN       SER   2 -12.906  11.637  -3.160
    7    HA   SER   2           HA       SER   2 -11.849  13.308  -5.322
    8    HB2  SER   2           HB2      SER   2 -10.536  13.002  -2.612
    9    HB3  SER   2           HB1      SER   2  -9.880  13.890  -3.988
   10    HG   SER   2           HG       SER   2 -12.192  14.924  -3.732
   11    H    THR   3           HN       THR   3 -12.167  11.159  -6.329
   12    HA   THR   3           HA       THR   3 -11.083   9.550  -7.509
   13    HB   THR   3           HB       THR   3  -8.737  10.158  -5.709
   14    HG1  THR   3           HG1      THR   3  -8.287  10.718  -8.258
   15   HG21  THR   3          HG21      THR   3  -8.789   8.434  -8.188
   16   HG22  THR   3          HG22      THR   3  -8.665   7.828  -6.533
   17   HG23  THR   3          HG23      THR   3  -7.374   8.830  -7.209
   18    H    ALA   4           HN       ALA   4 -11.488   9.368  -4.092
   19    HA   ALA   4           HA       ALA   4 -10.480   6.850  -3.507
   20    HB1  ALA   4           HB1      ALA   4 -13.000   8.068  -2.370
   21    HB2  ALA   4           HB2      ALA   4 -11.360   8.421  -1.822
   22    HB3  ALA   4           HB3      ALA   4 -12.024   6.798  -1.631
   23    H    THR   5           HN       THR   5 -13.679   7.676  -4.807
   24    HA   THR   5           HA       THR   5 -14.919   5.257  -5.007
   25    HB   THR   5           HB       THR   5 -14.828   7.368  -7.164
   26    HG1  THR   5           HG1      THR   5 -15.940   7.287  -4.632
   27   HG21  THR   5          HG21      THR   5 -16.942   5.309  -6.508
   28   HG22  THR   5          HG22      THR   5 -15.899   5.305  -7.929
   29   HG23  THR   5          HG23      THR   5 -17.093   6.585  -7.718
   30    H    LEU   6           HN       LEU   6 -12.085   6.212  -6.745
   31    HA   LEU   6           HA       LEU   6 -12.068   4.365  -8.834
   32    HB2  LEU   6           HB2      LEU   6 -10.429   6.050  -8.839
   33    HB3  LEU   6           HB1      LEU   6  -9.970   5.716  -7.185
   34    HG   LEU   6           HG       LEU   6  -8.885   3.617  -7.934
   35   HD11  LEU   6          HD11      LEU   6 -10.204   3.212  -9.951
   36   HD12  LEU   6          HD12      LEU   6  -8.481   3.274 -10.320
   37   HD13  LEU   6          HD13      LEU   6  -9.515   4.652 -10.698
   38   HD21  LEU   6          HD21      LEU   6  -7.929   6.082  -9.383
   39   HD22  LEU   6          HD22      LEU   6  -6.953   4.702  -8.877
   40   HD23  LEU   6          HD23      LEU   6  -7.680   5.763  -7.664
   41    H    LEU   7           HN       LEU   7 -10.248   4.064  -5.783
   42    HA   LEU   7           HA       LEU   7 -10.007   1.230  -6.174
   43    HB2  LEU   7           HB2      LEU   7  -8.631   3.185  -4.734
   44    HB3  LEU   7           HB1      LEU   7  -9.327   2.121  -3.523
   45    HG   LEU   7           HG       LEU   7  -7.043   1.439  -4.172
   46   HD11  LEU   7          HD11      LEU   7  -9.147  -0.553  -5.006
   47   HD12  LEU   7          HD12      LEU   7  -8.803  -0.115  -3.333
   48   HD13  LEU   7          HD13      LEU   7  -7.553  -0.893  -4.313
   49   HD21  LEU   7          HD21      LEU   7  -8.268   0.692  -6.822
   50   HD22  LEU   7          HD22      LEU   7  -6.578   0.554  -6.336
   51   HD23  LEU   7          HD23      LEU   7  -7.303   2.146  -6.575
   52    H    THR   8           HN       THR   8 -11.930   3.349  -4.203
   53    HA   THR   8           HA       THR   8 -12.873   1.594  -2.267
   54    HB   THR   8           HB       THR   8 -14.096   3.986  -3.585
   55    HG1  THR   8           HG1      THR   8 -12.456   4.575  -2.273
   56   HG21  THR   8          HG21      THR   8 -15.924   2.528  -2.756
   57   HG22  THR   8          HG22      THR   8 -15.813   4.051  -1.876
   58   HG23  THR   8          HG23      THR   8 -15.188   2.570  -1.154
   59    H    SER   9           HN       SER   9 -13.885   2.046  -5.587
   60    HA   SER   9           HA       SER   9 -16.228   0.448  -5.445
   61    HB2  SER   9           HB2      SER   9 -14.506   1.424  -7.718
   62    HB3  SER   9           HB1      SER   9 -15.977   0.473  -7.981
   63    HG   SER   9           HG       SER   9 -15.653   3.107  -7.300
   64    H    LYS  10           HN       LYS  10 -12.866  -0.265  -5.682
   65    HA   LYS  10           HA       LYS  10 -13.113  -2.947  -6.598
   66    HB2  LYS  10           HB2      LYS  10 -10.968  -1.573  -6.571
   67    HB3  LYS  10           HB1      LYS  10 -10.947  -1.814  -4.824
   68    HG2  LYS  10           HG2      LYS  10  -9.499  -3.424  -5.682
   69    HG3  LYS  10           HG1      LYS  10 -10.982  -4.293  -5.306
   70    HD2  LYS  10           HD2      LYS  10 -10.450  -3.228  -8.055
   71    HD3  LYS  10           HD1      LYS  10  -9.816  -4.795  -7.547
   72    HE2  LYS  10           HE2      LYS  10 -12.320  -5.216  -6.853
   73    HE3  LYS  10           HE1      LYS  10 -12.633  -3.926  -8.012
   74    HZ1  LYS  10           HZ1      LYS  10 -12.784  -6.023  -9.111
   75    HZ2  LYS  10           HZ2      LYS  10 -11.256  -6.489  -8.568
   76    HZ3  LYS  10           HZ3      LYS  10 -11.406  -5.223  -9.680
   77    H    LEU  11           HN       LEU  11 -12.504  -1.521  -3.421
   78    HA   LEU  11           HA       LEU  11 -12.552  -3.923  -1.981
   79    HB2  LEU  11           HB2      LEU  11 -13.253  -1.177  -0.959
   80    HB3  LEU  11           HB1      LEU  11 -12.862  -2.562   0.030
   81    HG   LEU  11           HG       LEU  11 -10.855  -1.480   0.068
   82   HD11  LEU  11          HD11      LEU  11  -9.306  -2.593  -1.382
   83   HD12  LEU  11          HD12      LEU  11 -10.596  -2.972  -2.530
   84   HD13  LEU  11          HD13      LEU  11 -10.582  -3.730  -0.930
   85   HD21  LEU  11          HD21      LEU  11 -11.718   0.312  -1.502
   86   HD22  LEU  11          HD22      LEU  11 -11.070  -0.670  -2.820
   87   HD23  LEU  11          HD23      LEU  11  -9.991  -0.033  -1.577
   88    H    ALA  12           HN       ALA  12 -15.112  -1.892  -3.090
   89    HA   ALA  12           HA       ALA  12 -17.237  -2.759  -1.517
   90    HB1  ALA  12           HB1      ALA  12 -18.652  -2.130  -3.426
   91    HB2  ALA  12           HB2      ALA  12 -17.216  -2.038  -4.447
   92    HB3  ALA  12           HB3      ALA  12 -17.412  -0.919  -3.097
   93    H    GLY  13           HN       GLY  13 -15.544  -4.340  -4.122
   94    HA2  GLY  13           HA2      GLY  13 -17.519  -6.469  -4.330
   95    HA3  GLY  13           HA1      GLY  13 -16.049  -6.304  -5.281
   96    H    LEU  14           HN       LEU  14 -14.856  -5.811  -2.362
   97    HA   LEU  14           HA       LEU  14 -14.239  -8.644  -1.975
   98    HB2  LEU  14           HB2      LEU  14 -12.821  -6.156  -1.136
   99    HB3  LEU  14           HB1      LEU  14 -12.375  -7.717  -0.555
  100    HG   LEU  14           HG       LEU  14 -10.891  -7.638  -2.209
  101   HD11  LEU  14          HD11      LEU  14 -13.314  -8.257  -3.873
  102   HD12  LEU  14          HD12      LEU  14 -12.428  -9.407  -2.866
  103   HD13  LEU  14          HD13      LEU  14 -11.639  -8.661  -4.263
  104   HD21  LEU  14          HD21      LEU  14 -11.133  -6.200  -4.192
  105   HD22  LEU  14          HD22      LEU  14 -11.289  -5.336  -2.657
  106   HD23  LEU  14          HD23      LEU  14 -12.728  -5.721  -3.604
  107    H    THR  15           HN       THR  15 -13.754  -9.271   0.184
  108    HA   THR  15           HA       THR  15 -15.383  -7.989   2.247
  109    HB   THR  15           HB       THR  15 -15.003 -10.008   3.538
  110    HG1  THR  15           HG1      THR  15 -13.670 -11.556   1.808
  111   HG21  THR  15          HG21      THR  15 -16.740 -10.165   1.835
  112   HG22  THR  15          HG22      THR  15 -15.924 -11.719   2.014
  113   HG23  THR  15          HG23      THR  15 -15.542 -10.672   0.642
  114    H    ALA  16           HN       ALA  16 -14.159  -7.698   4.392
  115    HA   ALA  16           HA       ALA  16 -12.091  -5.934   4.121
  116    HB1  ALA  16           HB1      ALA  16 -11.588  -6.291   6.474
  117    HB2  ALA  16           HB2      ALA  16 -12.463  -7.821   6.451
  118    HB3  ALA  16           HB3      ALA  16 -13.332  -6.306   6.210
  119    H    THR  17           HN       THR  17 -11.795  -9.444   4.451
  120    HA   THR  17           HA       THR  17  -8.984  -9.542   4.621
  121    HB   THR  17           HB       THR  17 -10.960 -11.627   3.686
  122    HG1  THR  17           HG1      THR  17 -11.387 -11.588   5.762
  123   HG21  THR  17          HG21      THR  17  -8.682 -12.092   2.888
  124   HG22  THR  17          HG22      THR  17  -9.213 -13.262   4.097
  125   HG23  THR  17          HG23      THR  17  -8.094 -11.978   4.546
  126    H    GLU  18           HN       GLU  18 -11.185  -9.835   1.811
  127    HA   GLU  18           HA       GLU  18  -9.080 -10.276  -0.015
  128    HB2  GLU  18           HB2      GLU  18 -11.924  -9.395  -0.437
  129    HB3  GLU  18           HB1      GLU  18 -10.828  -9.921  -1.695
  130    HG2  GLU  18           HG2      GLU  18 -10.733 -12.127  -0.706
  131    HG3  GLU  18           HG1      GLU  18 -11.774 -11.585   0.607
  132    H    GLN  19           HN       GLN  19 -10.755  -7.483   1.237
  133    HA   GLN  19           HA       GLN  19  -9.775  -5.535  -0.532
  134    HB2  GLN  19           HB2      GLN  19 -10.441  -5.341   2.402
  135    HB3  GLN  19           HB1      GLN  19 -10.250  -3.973   1.326
  136    HG2  GLN  19           HG2      GLN  19 -12.126  -4.666   0.039
  137    HG3  GLN  19           HG1      GLN  19 -12.270  -6.143   0.957
  138   HE21  GLN  19          HE21      GLN  19 -14.287  -4.219   0.541
  139   HE22  GLN  19          HE22      GLN  19 -14.723  -3.588   2.099
  140    H    ARG  20           HN       ARG  20  -8.473  -6.973   2.413
  141    HA   ARG  20           HA       ARG  20  -6.016  -5.603   2.520
  142    HB2  ARG  20           HB2      ARG  20  -6.116  -8.574   2.925
  143    HB3  ARG  20           HB1      ARG  20  -5.159  -7.379   3.781
  144    HG2  ARG  20           HG2      ARG  20  -7.146  -6.600   4.921
  145    HG3  ARG  20           HG1      ARG  20  -8.130  -7.784   4.039
  146    HD2  ARG  20           HD2      ARG  20  -6.825  -9.582   5.028
  147    HD3  ARG  20           HD1      ARG  20  -5.818  -8.421   5.880
  148    HE   ARG  20           HE       ARG  20  -8.485  -7.970   6.591
  149   HH11  ARG  20          HH11      ARG  20  -5.982 -10.377   6.977
  150   HH12  ARG  20          HH12      ARG  20  -6.582 -10.950   8.500
  151   HH21  ARG  20          HH21      ARG  20  -9.287  -8.717   8.605
  152   HH22  ARG  20          HH22      ARG  20  -8.471 -10.012   9.422
  153    H    ALA  21           HN       ALA  21  -6.979  -8.531   0.843
  154    HA   ALA  21           HA       ALA  21  -4.477  -9.274  -0.149
  155    HB1  ALA  21           HB1      ALA  21  -5.687 -10.793  -1.591
  156    HB2  ALA  21           HB2      ALA  21  -7.180  -9.895  -1.317
  157    HB3  ALA  21           HB3      ALA  21  -6.418 -10.765   0.015
  158    H    VAL  22           HN       VAL  22  -6.921  -7.181  -1.547
  159    HA   VAL  22           HA       VAL  22  -5.779  -7.248  -4.155
  160    HB   VAL  22           HB       VAL  22  -7.325  -5.325  -4.644
  161   HG11  VAL  22          HG11      VAL  22  -7.914  -7.725  -4.939
  162   HG12  VAL  22          HG12      VAL  22  -9.300  -6.687  -4.619
  163   HG13  VAL  22          HG13      VAL  22  -8.643  -7.698  -3.332
  164   HG21  VAL  22          HG21      VAL  22  -8.173  -5.799  -1.780
  165   HG22  VAL  22          HG22      VAL  22  -9.051  -4.814  -2.954
  166   HG23  VAL  22          HG23      VAL  22  -7.438  -4.330  -2.428
  167    H    THR  23           HN       THR  23  -5.641  -4.786  -1.533
  168    HA   THR  23           HA       THR  23  -3.665  -3.452  -3.191
  169    HB   THR  23           HB       THR  23  -5.165  -1.946  -2.283
  170    HG1  THR  23           HG1      THR  23  -3.047  -1.368  -0.614
  171   HG21  THR  23          HG21      THR  23  -4.350  -2.777   0.472
  172   HG22  THR  23          HG22      THR  23  -5.865  -3.249  -0.294
  173   HG23  THR  23          HG23      THR  23  -5.540  -1.548   0.060
  174    H    ARG  24           HN       ARG  24  -3.655  -5.731  -0.662
  175    HA   ARG  24           HA       ARG  24  -0.962  -5.297   0.152
  176    HB2  ARG  24           HB2      ARG  24  -2.346  -6.955   1.291
  177    HB3  ARG  24           HB1      ARG  24  -2.542  -7.859  -0.200
  178    HG2  ARG  24           HG2      ARG  24   0.129  -7.887  -0.019
  179    HG3  ARG  24           HG1      ARG  24  -0.289  -7.791   1.696
  180    HD2  ARG  24           HD2      ARG  24  -1.676  -9.749   1.508
  181    HD3  ARG  24           HD1      ARG  24  -1.428  -9.793  -0.231
  182    HE   ARG  24           HE       ARG  24   0.700 -10.289   1.746
  183   HH11  ARG  24          HH11      ARG  24  -0.849 -10.933  -1.330
  184   HH12  ARG  24          HH12      ARG  24   0.303 -12.137  -1.805
  185   HH21  ARG  24          HH21      ARG  24   2.209 -11.884   1.126
  186   HH22  ARG  24          HH22      ARG  24   2.039 -12.683  -0.404
  187    H    LYS  25           HN       LYS  25  -2.481  -6.012  -2.711
  188    HA   LYS  25           HA       LYS  25  -0.083  -6.941  -4.039
  189    HB2  LYS  25           HB2      LYS  25  -1.852  -8.312  -4.628
  190    HB3  LYS  25           HB1      LYS  25  -3.028  -7.020  -4.525
  191    HG2  LYS  25           HG2      LYS  25  -2.801  -7.748  -6.792
  192    HG3  LYS  25           HG1      LYS  25  -2.198  -6.104  -6.606
  193    HD2  LYS  25           HD2      LYS  25   0.090  -6.907  -6.619
  194    HD3  LYS  25           HD1      LYS  25  -0.472  -8.579  -6.667
  195    HE2  LYS  25           HE2      LYS  25   0.222  -7.866  -8.877
  196    HE3  LYS  25           HE1      LYS  25  -1.516  -8.152  -8.847
  197    HZ1  LYS  25           HZ1      LYS  25  -1.874  -5.774  -8.661
  198    HZ2  LYS  25           HZ2      LYS  25  -0.962  -6.127 -10.041
  199    HZ3  LYS  25           HZ3      LYS  25  -0.206  -5.496  -8.669
  200    H    LEU  26           HN       LEU  26  -2.426  -4.241  -3.832
  201    HA   LEU  26           HA       LEU  26  -1.299  -2.750  -5.960
  202    HB2  LEU  26           HB2      LEU  26  -3.574  -2.381  -5.281
  203    HB3  LEU  26           HB1      LEU  26  -3.060  -1.942  -3.670
  204    HG   LEU  26           HG       LEU  26  -3.795  -0.089  -5.282
  205   HD11  LEU  26          HD11      LEU  26  -1.186   0.265  -3.876
  206   HD12  LEU  26          HD12      LEU  26  -2.730   0.093  -3.043
  207   HD13  LEU  26          HD13      LEU  26  -2.459   1.464  -4.129
  208   HD21  LEU  26          HD21      LEU  26  -2.077   0.877  -6.661
  209   HD22  LEU  26          HD22      LEU  26  -2.411  -0.780  -7.176
  210   HD23  LEU  26          HD23      LEU  26  -0.971  -0.428  -6.222
  211    H    VAL  27           HN       VAL  27  -0.975  -2.297  -2.386
  212    HA   VAL  27           HA       VAL  27   0.867  -0.202  -2.544
  213    HB   VAL  27           HB       VAL  27  -0.081  -0.719  -0.378
  214   HG11  VAL  27          HG11      VAL  27  -0.382  -3.065  -0.463
  215   HG12  VAL  27          HG12      VAL  27   0.724  -2.739   0.875
  216   HG13  VAL  27          HG13      VAL  27   1.345  -3.347  -0.662
  217   HG21  VAL  27          HG21      VAL  27   2.119   0.346  -0.370
  218   HG22  VAL  27          HG22      VAL  27   2.896  -1.244  -0.386
  219   HG23  VAL  27          HG23      VAL  27   1.943  -0.739   1.013
  220    H    LEU  28           HN       LEU  28   1.211  -3.611  -2.692
  221    HA   LEU  28           HA       LEU  28   3.974  -3.907  -2.742
  222    HB2  LEU  28           HB2      LEU  28   1.857  -5.556  -2.774
  223    HB3  LEU  28           HB1      LEU  28   2.272  -5.609  -4.471
  224    HG   LEU  28           HG       LEU  28   4.405  -6.568  -4.005
  225   HD11  LEU  28          HD11      LEU  28   3.744  -5.961  -1.141
  226   HD12  LEU  28          HD12      LEU  28   5.068  -5.305  -2.108
  227   HD13  LEU  28          HD13      LEU  28   5.073  -7.007  -1.649
  228   HD21  LEU  28          HD21      LEU  28   2.651  -8.184  -4.015
  229   HD22  LEU  28          HD22      LEU  28   2.170  -7.758  -2.369
  230   HD23  LEU  28          HD23      LEU  28   3.710  -8.582  -2.657
  231    H    ASP  29           HN       ASP  29   1.633  -3.449  -5.308
  232    HA   ASP  29           HA       ASP  29   3.426  -3.628  -7.490
  233    HB2  ASP  29           HB2      ASP  29   0.899  -3.860  -7.546
  234    HB3  ASP  29           HB1      ASP  29   0.822  -2.110  -7.420
  235    H    GLN  30           HN       GLN  30   2.047  -0.944  -5.673
  236    HA   GLN  30           HA       GLN  30   3.220   1.157  -7.064
  237    HB2  GLN  30           HB2      GLN  30   2.606   0.958  -4.137
  238    HB3  GLN  30           HB1      GLN  30   2.796   2.443  -5.057
  239    HG2  GLN  30           HG2      GLN  30   0.603   0.403  -5.343
  240    HG3  GLN  30           HG1      GLN  30   0.484   2.047  -4.727
  241   HE21  GLN  30          HE21      GLN  30   0.854   0.069  -7.547
  242   HE22  GLN  30          HE22      GLN  30   0.498   1.302  -8.711
  243    H    ALA  31           HN       ALA  31   4.305  -0.609  -4.225
  244    HA   ALA  31           HA       ALA  31   6.701   0.797  -3.761
  245    HB1  ALA  31           HB1      ALA  31   7.329  -1.122  -2.424
  246    HB2  ALA  31           HB2      ALA  31   6.093  -2.109  -3.216
  247    HB3  ALA  31           HB3      ALA  31   5.617  -0.764  -2.172
  248    H    ALA  32           HN       ALA  32   5.792  -1.762  -5.862
  249    HA   ALA  32           HA       ALA  32   8.360  -2.541  -6.726
  250    HB1  ALA  32           HB1      ALA  32   6.851  -3.306  -8.754
  251    HB2  ALA  32           HB2      ALA  32   5.529  -2.881  -7.649
  252    HB3  ALA  32           HB3      ALA  32   6.733  -4.100  -7.183
  253    H    SER  33           HN       SER  33   5.921  -0.289  -7.940
  254    HA   SER  33           HA       SER  33   7.205   0.555 -10.267
  255    HB2  SER  33           HB2      SER  33   4.932   1.171  -9.902
  256    HB3  SER  33           HB1      SER  33   5.304   1.894  -8.341
  257    HG   SER  33           HG       SER  33   5.298   3.027 -10.777
  258    H    VAL  34           HN       VAL  34   7.477   1.611  -6.942
  259    HA   VAL  34           HA       VAL  34   9.169   3.815  -7.297
  260    HB   VAL  34           HB       VAL  34   9.166   1.965  -4.929
  261   HG11  VAL  34          HG11      VAL  34   9.594   4.074  -3.693
  262   HG12  VAL  34          HG12      VAL  34   9.695   4.915  -5.240
  263   HG13  VAL  34          HG13      VAL  34  10.867   3.660  -4.841
  264   HG21  VAL  34          HG21      VAL  34   7.238   4.183  -5.527
  265   HG22  VAL  34          HG22      VAL  34   7.351   3.272  -4.021
  266   HG23  VAL  34          HG23      VAL  34   6.893   2.455  -5.509
  267    H    LEU  35           HN       LEU  35   9.804   0.565  -6.142
  268    HA   LEU  35           HA       LEU  35  12.530   0.923  -5.795
  269    HB2  LEU  35           HB2      LEU  35  10.534  -1.151  -5.619
  270    HB3  LEU  35           HB1      LEU  35  12.131  -1.776  -6.001
  271    HG   LEU  35           HG       LEU  35  12.929  -1.331  -3.910
  272   HD11  LEU  35          HD11      LEU  35  11.006   0.994  -3.743
  273   HD12  LEU  35          HD12      LEU  35  12.756   1.083  -3.962
  274   HD13  LEU  35          HD13      LEU  35  12.090   0.491  -2.442
  275   HD21  LEU  35          HD21      LEU  35   9.959  -1.548  -3.739
  276   HD22  LEU  35          HD22      LEU  35  10.959  -1.486  -2.280
  277   HD23  LEU  35          HD23      LEU  35  11.186  -2.785  -3.451
  278    H    GLY  36           HN       GLY  36  10.756  -0.083  -8.643
  279    HA2  GLY  36           HA2      GLY  36  12.189   0.364 -10.687
  280    HA3  GLY  36           HA1      GLY  36  13.346  -0.691  -9.888
  281    H    TYR  37           HN       TYR  37  10.141  -1.587  -9.412
  282    HA   TYR  37           HA       TYR  37  10.742  -4.023 -10.924
  283    HB2  TYR  37           HB2      TYR  37   8.679  -3.603  -8.767
  284    HB3  TYR  37           HB1      TYR  37   9.273  -5.132  -9.385
  285    HD1  TYR  37           HD1      TYR  37   9.140  -4.215  -6.512
  286    HD2  TYR  37           HD2      TYR  37  12.254  -4.059  -9.391
  287    HE1  TYR  37           HE1      TYR  37  10.784  -4.282  -4.714
  288    HE2  TYR  37           HE2      TYR  37  13.927  -4.105  -7.607
  289    HH   TYR  37           HH       TYR  37  14.154  -3.677  -5.277
  290    H    ALA  38           HN       ALA  38   8.888  -5.185 -11.836
  291    HA   ALA  38           HA       ALA  38   6.794  -3.363 -12.827
  292    HB1  ALA  38           HB1      ALA  38   6.945  -4.365 -15.018
  293    HB2  ALA  38           HB2      ALA  38   8.201  -5.468 -14.456
  294    HB3  ALA  38           HB3      ALA  38   8.524  -3.738 -14.547
  295    H    SER  39           HN       SER  39   7.539  -6.195 -11.212
  296    HA   SER  39           HA       SER  39   4.848  -7.248 -11.593
  297    HB2  SER  39           HB2      SER  39   7.339  -8.927 -11.991
  298    HB3  SER  39           HB1      SER  39   5.674  -9.511 -12.055
  299    HG   SER  39           HG       SER  39   7.161  -8.138 -13.933
  300    H    THR  40           HN       THR  40   6.425  -5.922  -9.472
  301    HA   THR  40           HA       THR  40   7.094  -6.076  -7.308
  302    HB   THR  40           HB       THR  40   5.584  -7.382  -5.804
  303    HG1  THR  40           HG1      THR  40   4.969  -8.623  -8.132
  304   HG21  THR  40          HG21      THR  40   4.316  -5.614  -7.889
  305   HG22  THR  40          HG22      THR  40   5.004  -5.115  -6.339
  306   HG23  THR  40          HG23      THR  40   3.532  -6.090  -6.381
  307    H    GLU  41           HN       GLU  41   8.640  -7.586  -8.994
  308    HA   GLU  41           HA       GLU  41   8.831 -10.312  -8.422
  309    HB2  GLU  41           HB2      GLU  41  11.157 -10.064  -9.451
  310    HB3  GLU  41           HB1      GLU  41   9.773  -9.611 -10.434
  311    HG2  GLU  41           HG2      GLU  41  11.041  -7.455  -8.866
  312    HG3  GLU  41           HG1      GLU  41  11.960  -8.110 -10.222
  313    H    SER  42           HN       SER  42  10.528  -7.592  -6.890
  314    HA   SER  42           HA       SER  42  11.857  -9.571  -5.169
  315    HB2  SER  42           HB2      SER  42  12.843  -6.795  -5.852
  316    HB3  SER  42           HB1      SER  42  13.711  -8.020  -4.924
  317    HG   SER  42           HG       SER  42  13.668  -9.338  -6.821
  318    H    LEU  43           HN       LEU  43   9.257  -8.545  -4.640
  319    HA   LEU  43           HA       LEU  43   9.782  -6.838  -2.322
  320    HB2  LEU  43           HB2      LEU  43   7.318  -7.346  -3.938
  321    HB3  LEU  43           HB1      LEU  43   7.307  -6.447  -2.429
  322    HG   LEU  43           HG       LEU  43   8.969  -5.686  -4.821
  323   HD11  LEU  43          HD11      LEU  43   6.312  -4.661  -3.888
  324   HD12  LEU  43          HD12      LEU  43   6.640  -5.557  -5.371
  325   HD13  LEU  43          HD13      LEU  43   7.303  -3.935  -5.154
  326   HD21  LEU  43          HD21      LEU  43   9.122  -3.541  -3.632
  327   HD22  LEU  43          HD22      LEU  43   9.839  -4.871  -2.721
  328   HD23  LEU  43          HD23      LEU  43   8.248  -4.254  -2.277
  329    H    ASP  44           HN       ASP  44   8.397  -7.121  -0.476
  330    HA   ASP  44           HA       ASP  44   7.494  -9.860   0.024
  331    HB2  ASP  44           HB2      ASP  44   9.920  -9.178   0.948
  332    HB3  ASP  44           HB1      ASP  44   8.943  -8.431   2.199
  333    H    THR  45           HN       THR  45   5.713  -9.922   1.398
  334    HA   THR  45           HA       THR  45   4.617  -7.296   2.106
  335    HB   THR  45           HB       THR  45   2.506  -8.659   2.551
  336    HG1  THR  45           HG1      THR  45   3.901 -10.570   0.955
  337   HG21  THR  45          HG21      THR  45   3.644  -8.424  -0.222
  338   HG22  THR  45          HG22      THR  45   2.654  -7.244   0.641
  339   HG23  THR  45          HG23      THR  45   1.954  -8.780   0.134
  340    H    HIS  46           HN       HIS  46   6.286  -9.849   3.442
  341    HA   HIS  46           HA       HIS  46   5.078  -9.437   6.092
  342    HB2  HIS  46           HB2      HIS  46   6.864 -11.673   5.102
  343    HB3  HIS  46           HB1      HIS  46   6.226 -11.539   6.731
  344    HD1  HIS  46           HD1      HIS  46   4.241 -12.963   7.104
  345    HD2  HIS  46           HD2      HIS  46   4.534 -11.714   3.153
  346    HE1  HIS  46           HE1      HIS  46   2.318 -14.058   5.906
  347    HE2  HIS  46           HE2      HIS  46   2.573 -13.374   3.496
  348    H    GLU  47           HN       GLU  47   7.494  -8.313   4.217
  349    HA   GLU  47           HA       GLU  47   9.263  -7.828   6.507
  350    HB2  GLU  47           HB2      GLU  47  11.051  -8.399   5.289
  351    HB3  GLU  47           HB1      GLU  47   9.932  -9.073   4.122
  352    HG2  GLU  47           HG2      GLU  47   9.949  -6.927   2.903
  353    HG3  GLU  47           HG1      GLU  47  11.132  -6.312   4.062
  354    H    SER  48           HN       SER  48  10.210  -5.688   6.576
  355    HA   SER  48           HA       SER  48   8.068  -3.832   5.959
  356    HB2  SER  48           HB2      SER  48  10.579  -3.220   7.509
  357    HB3  SER  48           HB1      SER  48   9.000  -2.444   7.614
  358    HG   SER  48           HG       SER  48   8.964  -5.146   8.114
  359    H    PHE  49           HN       PHE  49   8.309  -1.892   4.920
  360    HA   PHE  49           HA       PHE  49   9.682  -1.842   2.528
  361    HB2  PHE  49           HB2      PHE  49   8.705   0.507   4.137
  362    HB3  PHE  49           HB1      PHE  49   9.167   0.570   2.442
  363    HD1  PHE  49           HD1      PHE  49   7.729  -0.303   0.733
  364    HD2  PHE  49           HD2      PHE  49   6.692  -0.629   4.840
  365    HE1  PHE  49           HE1      PHE  49   5.421  -0.875   0.103
  366    HE2  PHE  49           HE2      PHE  49   4.395  -1.197   4.220
  367    HZ   PHE  49           HZ       PHE  49   3.754  -1.321   1.859
  368    H    LYS  50           HN       LYS  50  10.712  -0.670   5.629
  369    HA   LYS  50           HA       LYS  50  13.022   0.639   5.194
  370    HB2  LYS  50           HB2      LYS  50  12.014  -0.241   7.362
  371    HB3  LYS  50           HB1      LYS  50  12.833  -1.752   7.011
  372    HG2  LYS  50           HG2      LYS  50  14.127  -0.486   8.564
  373    HG3  LYS  50           HG1      LYS  50  14.984  -0.569   7.029
  374    HD2  LYS  50           HD2      LYS  50  15.168   1.666   7.895
  375    HD3  LYS  50           HD1      LYS  50  14.108   1.694   6.486
  376    HE2  LYS  50           HE2      LYS  50  13.196   3.074   8.257
  377    HE3  LYS  50           HE1      LYS  50  12.154   1.686   7.965
  378    HZ1  LYS  50           HZ1      LYS  50  14.120   1.946  10.178
  379    HZ2  LYS  50           HZ2      LYS  50  13.134   0.602   9.897
  380    HZ3  LYS  50           HZ3      LYS  50  12.439   2.081  10.322
  381    H    ASP  51           HN       ASP  51  12.668  -2.859   5.197
  382    HA   ASP  51           HA       ASP  51  15.290  -3.422   4.295
  383    HB2  ASP  51           HB2      ASP  51  13.682  -4.973   5.535
  384    HB3  ASP  51           HB1      ASP  51  12.922  -5.245   3.976
  385    H    LEU  52           HN       LEU  52  12.282  -2.770   2.696
  386    HA   LEU  52           HA       LEU  52  12.957  -3.778   0.134
  387    HB2  LEU  52           HB2      LEU  52  10.867  -1.917   1.181
  388    HB3  LEU  52           HB1      LEU  52  11.062  -2.131  -0.532
  389    HG   LEU  52           HG       LEU  52  10.585  -4.543  -0.285
  390   HD11  LEU  52          HD11      LEU  52  10.180  -3.799   2.592
  391   HD12  LEU  52          HD12      LEU  52  11.343  -4.954   1.937
  392   HD13  LEU  52          HD13      LEU  52   9.612  -5.298   1.863
  393   HD21  LEU  52          HD21      LEU  52   8.541  -2.693   0.905
  394   HD22  LEU  52          HD22      LEU  52   8.217  -4.336   0.351
  395   HD23  LEU  52          HD23      LEU  52   8.738  -3.100  -0.802
  396    H    GLY  53           HN       GLY  53  13.780  -0.997   1.890
  397    HA2  GLY  53           HA2      GLY  53  15.747   0.147   1.179
  398    HA3  GLY  53           HA1      GLY  53  15.204  -0.003  -0.477
  399    H    PHE  54           HN       PHE  54  12.631   0.832   1.573
  400    HA   PHE  54           HA       PHE  54  12.511   3.397   0.349
  401    HB2  PHE  54           HB2      PHE  54  10.760   2.070   2.420
  402    HB3  PHE  54           HB1      PHE  54  10.449   3.668   1.751
  403    HD1  PHE  54           HD1      PHE  54   9.715   3.965  -0.482
  404    HD2  PHE  54           HD2      PHE  54  10.588   0.089   1.013
  405    HE1  PHE  54           HE1      PHE  54   8.624   2.983  -2.432
  406    HE2  PHE  54           HE2      PHE  54   9.495  -0.921  -0.935
  407    HZ   PHE  54           HZ       PHE  54   8.522   0.523  -2.690
  408    H    ASP  55           HN       ASP  55  12.126   5.393   1.520
  409    HA   ASP  55           HA       ASP  55  13.174   5.843   4.124
  410    HB2  ASP  55           HB2      ASP  55  15.269   5.436   2.639
  411    HB3  ASP  55           HB1      ASP  55  14.876   6.993   1.911
  412    H    SER  56           HN       SER  56  13.972   8.559   3.677
  413    HA   SER  56           HA       SER  56  11.386   9.764   3.319
  414    HB2  SER  56           HB2      SER  56  12.702  11.897   3.774
  415    HB3  SER  56           HB1      SER  56  12.737  10.680   5.048
  416    HG   SER  56           HG       SER  56  14.782   9.994   4.169
  417    H    LEU  57           HN       LEU  57  12.280   8.502   1.020
  418    HA   LEU  57           HA       LEU  57  12.284  10.652  -0.931
  419    HB2  LEU  57           HB2      LEU  57  14.061   8.239  -1.048
  420    HB3  LEU  57           HB1      LEU  57  13.995   9.528  -2.235
  421    HG   LEU  57           HG       LEU  57  14.855   9.912   0.626
  422   HD11  LEU  57          HD11      LEU  57  16.532   9.449  -1.834
  423   HD12  LEU  57          HD12      LEU  57  16.387   8.383  -0.437
  424   HD13  LEU  57          HD13      LEU  57  17.153   9.962  -0.266
  425   HD21  LEU  57          HD21      LEU  57  15.811  12.002  -0.238
  426   HD22  LEU  57          HD22      LEU  57  14.064  11.928  -0.473
  427   HD23  LEU  57          HD23      LEU  57  15.150  11.637  -1.832
  428    H    THR  58           HN       THR  58  12.649   7.145  -0.930
  429    HA   THR  58           HA       THR  58  10.906   6.747  -3.117
  430    HB   THR  58           HB       THR  58  11.107   4.289  -2.270
  431    HG1  THR  58           HG1      THR  58  13.403   4.760  -0.992
  432   HG21  THR  58          HG21      THR  58  13.347   4.105  -3.225
  433   HG22  THR  58          HG22      THR  58  13.565   5.850  -3.070
  434   HG23  THR  58          HG23      THR  58  12.348   5.206  -4.174
  435    H    ALA  59           HN       ALA  59  10.535   6.292   0.377
  436    HA   ALA  59           HA       ALA  59   8.006   5.158   0.405
  437    HB1  ALA  59           HB1      ALA  59   9.060   7.189   2.383
  438    HB2  ALA  59           HB2      ALA  59   9.475   5.476   2.398
  439    HB3  ALA  59           HB3      ALA  59   7.805   5.980   2.671
  440    H    LEU  60           HN       LEU  60   9.062   8.433  -0.056
  441    HA   LEU  60           HA       LEU  60   6.597   9.729   0.293
  442    HB2  LEU  60           HB2      LEU  60   9.115  10.473  -1.173
  443    HB3  LEU  60           HB1      LEU  60   7.729  11.543  -1.102
  444    HG   LEU  60           HG       LEU  60   9.480  12.115   0.560
  445   HD11  LEU  60          HD11      LEU  60   8.005  12.347   2.457
  446   HD12  LEU  60          HD12      LEU  60   6.910  11.149   1.772
  447   HD13  LEU  60          HD13      LEU  60   7.143  12.697   0.960
  448   HD21  LEU  60          HD21      LEU  60   8.737   9.468   1.788
  449   HD22  LEU  60          HD22      LEU  60   9.744  10.705   2.540
  450   HD23  LEU  60          HD23      LEU  60  10.299   9.885   1.079
  451    H    GLU  61           HN       GLU  61   8.271   8.607  -2.651
  452    HA   GLU  61           HA       GLU  61   6.036   9.350  -4.289
  453    HB2  GLU  61           HB2      GLU  61   7.240   7.845  -6.008
  454    HB3  GLU  61           HB1      GLU  61   8.006   9.352  -5.513
  455    HG2  GLU  61           HG2      GLU  61   9.412   8.089  -3.948
  456    HG3  GLU  61           HG1      GLU  61   8.661   6.599  -4.509
  457    H    LEU  62           HN       LEU  62   7.021   6.435  -2.613
  458    HA   LEU  62           HA       LEU  62   5.111   4.686  -3.773
  459    HB2  LEU  62           HB2      LEU  62   6.843   3.769  -2.390
  460    HB3  LEU  62           HB1      LEU  62   6.331   4.739  -1.028
  461    HG   LEU  62           HG       LEU  62   4.239   3.502  -0.886
  462   HD11  LEU  62          HD11      LEU  62   3.926   1.487  -2.259
  463   HD12  LEU  62          HD12      LEU  62   5.322   1.965  -3.223
  464   HD13  LEU  62          HD13      LEU  62   3.884   2.986  -3.190
  465   HD21  LEU  62          HD21      LEU  62   6.597   1.653  -1.051
  466   HD22  LEU  62          HD22      LEU  62   5.128   1.427  -0.096
  467   HD23  LEU  62          HD23      LEU  62   6.249   2.731   0.300
  468    H    ARG  63           HN       ARG  63   5.022   6.664  -0.848
  469    HA   ARG  63           HA       ARG  63   2.406   6.032  -0.060
  470    HB2  ARG  63           HB2      ARG  63   3.749   7.176   1.509
  471    HB3  ARG  63           HB1      ARG  63   4.272   8.372   0.336
  472    HG2  ARG  63           HG2      ARG  63   1.583   8.819   0.420
  473    HG3  ARG  63           HG1      ARG  63   1.945   8.378   2.092
  474    HD2  ARG  63           HD2      ARG  63   2.138  10.807   1.680
  475    HD3  ARG  63           HD1      ARG  63   3.650  10.082   2.218
  476    HE   ARG  63           HE       ARG  63   4.366  10.140  -0.146
  477   HH11  ARG  63          HH11      ARG  63   1.779  12.258   0.893
  478   HH12  ARG  63          HH12      ARG  63   2.044  13.413  -0.372
  479   HH21  ARG  63          HH21      ARG  63   4.709  11.657  -1.827
  480   HH22  ARG  63          HH22      ARG  63   3.709  13.071  -1.917
  481    H    ASP  64           HN       ASP  64   3.812   8.500  -2.146
  482    HA   ASP  64           HA       ASP  64   1.551   9.874  -2.966
  483    HB2  ASP  64           HB2      ASP  64   4.006  10.348  -3.480
  484    HB3  ASP  64           HB1      ASP  64   3.848   9.162  -4.764
  485    H    HIS  65           HN       HIS  65   3.017   6.902  -4.169
  486    HA   HIS  65           HA       HIS  65   1.263   6.392  -6.291
  487    HB2  HIS  65           HB2      HIS  65   2.857   4.558  -4.545
  488    HB3  HIS  65           HB1      HIS  65   1.947   4.001  -5.925
  489    HD1  HIS  65           HD1      HIS  65   2.926   6.652  -7.654
  490    HD2  HIS  65           HD2      HIS  65   5.212   3.817  -5.690
  491    HE1  HIS  65           HE1      HIS  65   5.211   6.728  -8.731
  492    HE2  HIS  65           HE2      HIS  65   6.509   4.893  -7.647
  493    H    LEU  66           HN       LEU  66   1.092   5.502  -2.831
  494    HA   LEU  66           HA       LEU  66  -1.114   3.768  -3.137
  495    HB2  LEU  66           HB2      LEU  66  -0.452   5.326  -0.676
  496    HB3  LEU  66           HB1      LEU  66  -1.179   3.744  -0.778
  497    HG   LEU  66           HG       LEU  66   1.661   4.418  -1.510
  498   HD11  LEU  66          HD11      LEU  66   1.239   4.556   0.874
  499   HD12  LEU  66          HD12      LEU  66   2.261   3.177   0.467
  500   HD13  LEU  66          HD13      LEU  66   0.555   2.932   0.848
  501   HD21  LEU  66          HD21      LEU  66   1.945   2.050  -1.704
  502   HD22  LEU  66          HD22      LEU  66   0.712   2.636  -2.818
  503   HD23  LEU  66          HD23      LEU  66   0.238   1.800  -1.343
  504    H    GLN  67           HN       GLN  67  -0.881   7.203  -2.387
  505    HA   GLN  67           HA       GLN  67  -3.673   7.555  -1.861
  506    HB2  GLN  67           HB2      GLN  67  -1.801   9.718  -2.775
  507    HB3  GLN  67           HB1      GLN  67  -3.196   9.862  -1.714
  508    HG2  GLN  67           HG2      GLN  67  -2.093   8.970   0.088
  509    HG3  GLN  67           HG1      GLN  67  -0.925   8.138  -0.949
  510   HE21  GLN  67          HE21      GLN  67  -0.279  10.384  -2.559
  511   HE22  GLN  67          HE22      GLN  67   0.657  11.453  -1.590
  512    H    THR  68           HN       THR  68  -1.586   7.802  -4.651
  513    HA   THR  68           HA       THR  68  -3.496   8.870  -6.420
  514    HB   THR  68           HB       THR  68  -0.831   7.583  -6.517
  515    HG1  THR  68           HG1      THR  68  -0.351   9.548  -7.615
  516   HG21  THR  68          HG21      THR  68  -0.773   7.619  -8.967
  517   HG22  THR  68          HG22      THR  68  -2.492   8.018  -9.002
  518   HG23  THR  68          HG23      THR  68  -1.957   6.465  -8.358
  519    H    ALA  69           HN       ALA  69  -2.288   5.677  -5.742
  520    HA   ALA  69           HA       ALA  69  -3.871   4.145  -7.406
  521    HB1  ALA  69           HB1      ALA  69  -1.935   3.307  -6.241
  522    HB2  ALA  69           HB2      ALA  69  -3.348   2.308  -5.887
  523    HB3  ALA  69           HB3      ALA  69  -2.770   3.480  -4.699
  524    H    THR  70           HN       THR  70  -4.481   5.050  -4.011
  525    HA   THR  70           HA       THR  70  -6.992   3.581  -4.081
  526    HB   THR  70           HB       THR  70  -7.109   4.001  -1.677
  527    HG1  THR  70           HG1      THR  70  -4.601   5.309  -1.785
  528   HG21  THR  70          HG21      THR  70  -4.289   3.275  -2.451
  529   HG22  THR  70          HG22      THR  70  -5.664   2.173  -2.582
  530   HG23  THR  70          HG23      THR  70  -5.159   2.772  -1.001
  531    H    GLY  71           HN       GLY  71  -5.806   6.836  -3.884
  532    HA2  GLY  71           HA2      GLY  71  -6.984   8.784  -4.435
  533    HA3  GLY  71           HA1      GLY  71  -8.489   7.872  -4.348
  534    H    LEU  72           HN       LEU  72  -6.594   7.129  -1.752
  535    HA   LEU  72           HA       LEU  72  -8.271   8.745   0.018
  536    HB2  LEU  72           HB2      LEU  72  -6.685   6.216   0.326
  537    HB3  LEU  72           HB1      LEU  72  -7.204   7.115   1.736
  538    HG   LEU  72           HG       LEU  72  -8.688   5.219   1.201
  539   HD11  LEU  72          HD11      LEU  72  -9.978   7.922   0.895
  540   HD12  LEU  72          HD12      LEU  72  -9.590   7.108   2.412
  541   HD13  LEU  72          HD13      LEU  72 -10.807   6.428   1.335
  542   HD21  LEU  72          HD21      LEU  72  -9.344   6.746  -1.305
  543   HD22  LEU  72          HD22      LEU  72 -10.177   5.307  -0.719
  544   HD23  LEU  72          HD23      LEU  72  -8.491   5.208  -1.217
  545    H    ASN  73           HN       ASN  73  -6.712   8.791   2.298
  546    HA   ASN  73           HA       ASN  73  -4.604  10.654   1.423
  547    HB2  ASN  73           HB2      ASN  73  -6.634  11.780   2.313
  548    HB3  ASN  73           HB1      ASN  73  -6.401  10.933   3.839
  549   HD21  ASN  73          HD21      ASN  73  -6.124  12.794   5.023
  550   HD22  ASN  73          HD22      ASN  73  -4.713  13.787   4.889
  551    H    LEU  74           HN       LEU  74  -2.795   9.477   1.772
  552    HA   LEU  74           HA       LEU  74  -2.509   8.102   4.321
  553    HB2  LEU  74           HB2      LEU  74  -0.941   7.861   1.761
  554    HB3  LEU  74           HB1      LEU  74  -0.574   6.985   3.242
  555    HG   LEU  74           HG       LEU  74  -3.069   6.175   3.001
  556   HD11  LEU  74          HD11      LEU  74  -3.808   5.896   0.727
  557   HD12  LEU  74          HD12      LEU  74  -2.348   6.685   0.116
  558   HD13  LEU  74          HD13      LEU  74  -3.537   7.614   1.032
  559   HD21  LEU  74          HD21      LEU  74  -1.275   4.652   3.059
  560   HD22  LEU  74          HD22      LEU  74  -0.694   5.170   1.475
  561   HD23  LEU  74          HD23      LEU  74  -2.209   4.280   1.610
  562    H    SER  75           HN       SER  75   0.449   8.113   4.298
  563    HA   SER  75           HA       SER  75   0.760  10.884   5.221
  564    HB2  SER  75           HB2      SER  75  -0.091   9.535   7.115
  565    HB3  SER  75           HB1      SER  75   1.291   8.454   6.949
  566    HG   SER  75           HG       SER  75   1.798   9.927   8.524
  567    H    SER  76           HN       SER  76   3.075  11.320   5.977
  568    HA   SER  76           HA       SER  76   4.792  10.645   3.817
  569    HB2  SER  76           HB2      SER  76   4.828  12.801   5.130
  570    HB3  SER  76           HB1      SER  76   5.610  11.913   6.435
  571    HG   SER  76           HG       SER  76   6.633  12.817   4.051
  572    H    THR  77           HN       THR  77   4.586   9.563   7.166
  573    HA   THR  77           HA       THR  77   6.840   7.724   6.738
  574    HB   THR  77           HB       THR  77   6.464   7.370   9.297
  575    HG1  THR  77           HG1      THR  77   5.618  10.007   9.406
  576   HG21  THR  77          HG21      THR  77   8.436   8.407   8.332
  577   HG22  THR  77          HG22      THR  77   7.929   9.293   9.771
  578   HG23  THR  77          HG23      THR  77   7.572   9.933   8.166
  579    H    LEU  78           HN       LEU  78   4.277   7.459   5.613
  580    HA   LEU  78           HA       LEU  78   2.374   5.931   6.835
  581    HB2  LEU  78           HB2      LEU  78   2.304   7.055   4.633
  582    HB3  LEU  78           HB1      LEU  78   3.334   5.804   3.997
  583    HG   LEU  78           HG       LEU  78   0.729   5.816   3.641
  584   HD11  LEU  78          HD11      LEU  78   2.473   3.419   4.067
  585   HD12  LEU  78          HD12      LEU  78   2.140   4.279   2.550
  586   HD13  LEU  78          HD13      LEU  78   0.861   3.355   3.350
  587   HD21  LEU  78          HD21      LEU  78  -0.107   5.723   5.781
  588   HD22  LEU  78          HD22      LEU  78   1.135   4.596   6.332
  589   HD23  LEU  78          HD23      LEU  78  -0.164   4.035   5.272
  590    H    ILE  79           HN       ILE  79   4.913   4.628   4.712
  591    HA   ILE  79           HA       ILE  79   4.354   1.915   5.469
  592    HB   ILE  79           HB       ILE  79   6.165   1.338   3.977
  593   HG12  ILE  79          HG12      ILE  79   6.770   4.283   4.046
  594   HG13  ILE  79          HG11      ILE  79   7.835   2.954   4.495
  595   HG21  ILE  79          HG21      ILE  79   4.069   1.882   2.923
  596   HG22  ILE  79          HG22      ILE  79   5.410   2.465   1.933
  597   HG23  ILE  79          HG23      ILE  79   4.485   3.599   2.921
  598   HD11  ILE  79          HD11      ILE  79   8.557   3.714   2.402
  599   HD12  ILE  79          HD12      ILE  79   6.910   3.775   1.778
  600   HD13  ILE  79          HD13      ILE  79   7.680   2.215   2.090
  601    H    PHE  80           HN       PHE  80   5.805   4.144   7.262
  602    HA   PHE  80           HA       PHE  80   7.618   2.166   8.458
  603    HB2  PHE  80           HB2      PHE  80   7.771   5.184   8.579
  604    HB3  PHE  80           HB1      PHE  80   8.862   4.081   9.416
  605    HD1  PHE  80           HD1      PHE  80   8.992   6.251   6.934
  606    HD2  PHE  80           HD2      PHE  80   9.417   2.046   7.440
  607    HE1  PHE  80           HE1      PHE  80  10.371   6.148   4.904
  608    HE2  PHE  80           HE2      PHE  80  10.797   1.923   5.411
  609    HZ   PHE  80           HZ       PHE  80  11.284   3.986   4.139
  610    H    ASP  81           HN       ASP  81   4.845   4.012   8.673
  611    HA   ASP  81           HA       ASP  81   4.437   3.773  11.508
  612    HB2  ASP  81           HB2      ASP  81   3.321   5.392   9.662
  613    HB3  ASP  81           HB1      ASP  81   2.188   4.057   9.606
  614    H    HIS  82           HN       HIS  82   3.534   2.300   8.516
  615    HA   HIS  82           HA       HIS  82   2.574  -0.105   9.883
  616    HB2  HIS  82           HB2      HIS  82   1.767   0.884   7.137
  617    HB3  HIS  82           HB1      HIS  82   1.033  -0.415   8.060
  618    HD1  HIS  82           HD1      HIS  82  -0.454   0.293  10.129
  619    HD2  HIS  82           HD2      HIS  82   0.931   3.432   7.769
  620    HE1  HIS  82           HE1      HIS  82  -1.703   2.330  10.911
  621    HE2  HIS  82           HE2      HIS  82  -0.691   4.239   9.625
  622    HA   PRO  83           HA       PRO  83   6.589  -1.007   8.499
  623    HB2  PRO  83           HB2      PRO  83   6.598  -3.705   9.066
  624    HB3  PRO  83           HB1      PRO  83   6.838  -2.428  10.262
  625    HG2  PRO  83           HG2      PRO  83   4.335  -3.935   9.579
  626    HG3  PRO  83           HG1      PRO  83   4.976  -3.489  11.176
  627    HD2  PRO  83           HD2      PRO  83   2.993  -2.088  10.043
  628    HD3  PRO  83           HD1      PRO  83   4.265  -1.282  10.972
  629    H    THR  84           HN       THR  84   4.043  -3.210   7.350
  630    HA   THR  84           HA       THR  84   5.759  -3.802   5.054
  631    HB   THR  84           HB       THR  84   4.756  -6.019   4.994
  632    HG1  THR  84           HG1      THR  84   3.566  -6.442   7.179
  633   HG21  THR  84          HG21      THR  84   5.778  -5.376   7.765
  634   HG22  THR  84          HG22      THR  84   6.798  -5.645   6.353
  635   HG23  THR  84          HG23      THR  84   5.794  -6.956   6.980
  636    HA   PRO  85           HA       PRO  85   2.469  -2.637   2.310
  637    HB2  PRO  85           HB2      PRO  85   2.794  -5.277   1.007
  638    HB3  PRO  85           HB1      PRO  85   2.915  -3.667   0.302
  639    HG2  PRO  85           HG2      PRO  85   5.083  -5.191   0.732
  640    HG3  PRO  85           HG1      PRO  85   5.122  -3.425   0.888
  641    HD2  PRO  85           HD2      PRO  85   5.077  -5.505   3.008
  642    HD3  PRO  85           HD1      PRO  85   5.865  -3.921   3.000
  643    H    HIS  86           HN       HIS  86   2.593  -5.499   4.100
  644    HA   HIS  86           HA       HIS  86  -0.137  -6.325   3.713
  645    HB2  HIS  86           HB2      HIS  86   1.133  -8.094   4.445
  646    HB3  HIS  86           HB1      HIS  86   2.147  -7.094   5.459
  647    HD1  HIS  86           HD1      HIS  86  -0.605  -9.464   5.624
  648    HD2  HIS  86           HD2      HIS  86   0.821  -6.338   7.966
  649    HE1  HIS  86           HE1      HIS  86  -1.625  -9.809   7.894
  650    HE2  HIS  86           HE2      HIS  86  -0.908  -7.799   9.229
  651    H    ALA  87           HN       ALA  87   1.703  -4.547   6.115
  652    HA   ALA  87           HA       ALA  87  -0.519  -4.024   7.842
  653    HB1  ALA  87           HB1      ALA  87   2.174  -2.670   7.721
  654    HB2  ALA  87           HB2      ALA  87   1.812  -4.125   8.652
  655    HB3  ALA  87           HB3      ALA  87   1.030  -2.600   9.061
  656    H    VAL  88           HN       VAL  88   0.806  -2.661   5.066
  657    HA   VAL  88           HA       VAL  88  -0.346  -0.031   5.468
  658    HB   VAL  88           HB       VAL  88   1.170  -1.279   3.197
  659   HG11  VAL  88          HG11      VAL  88   0.075   1.508   3.425
  660   HG12  VAL  88          HG12      VAL  88  -0.394   0.272   2.257
  661   HG13  VAL  88          HG13      VAL  88   1.224   0.973   2.198
  662   HG21  VAL  88          HG21      VAL  88   2.532  -0.790   5.125
  663   HG22  VAL  88          HG22      VAL  88   1.903   0.863   5.182
  664   HG23  VAL  88          HG23      VAL  88   2.907   0.347   3.827
  665    H    ALA  89           HN       ALA  89  -0.809  -2.827   3.352
  666    HA   ALA  89           HA       ALA  89  -2.953  -1.779   1.902
  667    HB1  ALA  89           HB1      ALA  89  -3.564  -4.111   1.417
  668    HB2  ALA  89           HB2      ALA  89  -2.385  -4.648   2.619
  669    HB3  ALA  89           HB3      ALA  89  -1.851  -3.785   1.177
  670    H    GLU  90           HN       GLU  90  -2.917  -3.548   5.031
  671    HA   GLU  90           HA       GLU  90  -5.777  -3.539   5.214
  672    HB2  GLU  90           HB2      GLU  90  -5.363  -4.077   7.624
  673    HB3  GLU  90           HB1      GLU  90  -4.574  -5.170   6.493
  674    HG2  GLU  90           HG2      GLU  90  -2.476  -4.083   6.820
  675    HG3  GLU  90           HG1      GLU  90  -3.217  -2.845   7.826
  676    H    HIS  91           HN       HIS  91  -3.206  -1.386   6.066
  677    HA   HIS  91           HA       HIS  91  -4.663   0.450   7.581
  678    HB2  HIS  91           HB2      HIS  91  -2.311   0.640   7.664
  679    HB3  HIS  91           HB1      HIS  91  -2.172   0.684   5.906
  680    HD1  HIS  91           HD1      HIS  91  -3.449   2.845   8.770
  681    HD2  HIS  91           HD2      HIS  91  -2.149   3.141   4.836
  682    HE1  HIS  91           HE1      HIS  91  -3.321   5.308   8.289
  683    HE2  HIS  91           HE2      HIS  91  -2.732   5.465   5.851
  684    H    LEU  92           HN       LEU  92  -4.504  -0.192   4.194
  685    HA   LEU  92           HA       LEU  92  -5.655   2.284   3.390
  686    HB2  LEU  92           HB2      LEU  92  -4.907  -0.262   2.058
  687    HB3  LEU  92           HB1      LEU  92  -6.141   0.720   1.278
  688    HG   LEU  92           HG       LEU  92  -4.679   2.477   0.861
  689   HD11  LEU  92          HD11      LEU  92  -3.043   1.381   3.117
  690   HD12  LEU  92          HD12      LEU  92  -3.723   3.000   2.920
  691   HD13  LEU  92          HD13      LEU  92  -2.348   2.489   1.939
  692   HD21  LEU  92          HD21      LEU  92  -2.678   1.524  -0.134
  693   HD22  LEU  92          HD22      LEU  92  -4.097   0.534  -0.479
  694   HD23  LEU  92          HD23      LEU  92  -2.945   0.026   0.756
  695    H    LEU  93           HN       LEU  93  -6.844  -0.541   4.783
  696    HA   LEU  93           HA       LEU  93  -9.549  -0.375   3.819
  697    HB2  LEU  93           HB2      LEU  93  -8.300  -1.810   6.137
  698    HB3  LEU  93           HB1      LEU  93 -10.028  -1.821   5.860
  699    HG   LEU  93           HG       LEU  93  -9.844  -3.178   3.969
  700   HD11  LEU  93          HD11      LEU  93  -7.712  -3.673   2.838
  701   HD12  LEU  93          HD12      LEU  93  -6.903  -2.506   3.897
  702   HD13  LEU  93          HD13      LEU  93  -8.140  -1.962   2.759
  703   HD21  LEU  93          HD21      LEU  93  -9.344  -4.362   6.027
  704   HD22  LEU  93          HD22      LEU  93  -7.628  -3.996   5.833
  705   HD23  LEU  93          HD23      LEU  93  -8.446  -5.050   4.675
  706    H    GLU  94           HN       GLU  94  -7.663   0.830   6.422
  707    HA   GLU  94           HA       GLU  94  -9.606   1.843   8.157
  708    HB2  GLU  94           HB2      GLU  94  -6.784   2.524   7.471
  709    HB3  GLU  94           HB1      GLU  94  -7.679   3.596   8.550
  710    HG2  GLU  94           HG2      GLU  94  -7.245   0.651   8.994
  711    HG3  GLU  94           HG1      GLU  94  -6.303   1.939   9.743
  712    H    GLN  95           HN       GLN  95  -8.388   2.959   5.120
  713    HA   GLN  95           HA       GLN  95  -9.393   5.639   5.347
  714    HB2  GLN  95           HB2      GLN  95  -8.543   4.262   2.820
  715    HB3  GLN  95           HB1      GLN  95  -8.337   5.949   3.274
  716    HG2  GLN  95           HG2      GLN  95  -6.917   3.676   4.625
  717    HG3  GLN  95           HG1      GLN  95  -6.249   4.577   3.274
  718   HE21  GLN  95          HE21      GLN  95  -5.445   4.242   6.085
  719   HE22  GLN  95          HE22      GLN  95  -5.270   5.847   6.709
  720    H    ILE  96           HN       ILE  96 -10.544   2.585   4.380
  721    HA   ILE  96           HA       ILE  96 -12.240   3.371   2.250
  722    HB   ILE  96           HB       ILE  96 -12.108   0.837   3.855
  723   HG12  ILE  96          HG12      ILE  96 -10.013   1.584   2.823
  724   HG13  ILE  96          HG11      ILE  96 -10.595   0.084   2.141
  725   HG21  ILE  96          HG21      ILE  96 -13.158   1.157   1.069
  726   HG22  ILE  96          HG22      ILE  96 -14.190   1.120   2.498
  727   HG23  ILE  96          HG23      ILE  96 -13.203  -0.283   2.088
  728   HD11  ILE  96          HD11      ILE  96 -11.348   1.216   0.166
  729   HD12  ILE  96          HD12      ILE  96  -9.680   1.702   0.485
  730   HD13  ILE  96          HD13      ILE  96 -11.012   2.788   0.892
  731    HA   PRO  97           HA       PRO  97 -15.719   4.800   4.421
  732    HB2  PRO  97           HB2      PRO  97 -17.485   4.813   2.426
  733    HB3  PRO  97           HB1      PRO  97 -16.043   5.838   2.380
  734    HG2  PRO  97           HG2      PRO  97 -16.469   3.152   1.121
  735    HG3  PRO  97           HG1      PRO  97 -15.859   4.631   0.371
  736    HD2  PRO  97           HD2      PRO  97 -14.218   2.700   1.257
  737    HD3  PRO  97           HD1      PRO  97 -13.789   4.407   1.338
  738    H    GLY  98           HN       GLY  98 -15.856   2.751   5.788
  739    HA2  GLY  98           HA2      GLY  98 -17.506   1.554   6.901
  740    HA3  GLY  98           HA1      GLY  98 -18.592   1.847   5.555
  741    H    ILE  99           HN       ILE  99 -17.546   0.704   3.453
  742    HA   ILE  99           HA       ILE  99 -18.025  -2.014   3.678
  743    HB   ILE  99           HB       ILE  99 -16.457  -2.036   1.511
  744   HG12  ILE  99          HG12      ILE  99 -17.433   0.766   1.323
  745   HG13  ILE  99          HG11      ILE  99 -15.985   0.479   2.280
  746   HG21  ILE  99          HG21      ILE  99 -19.208  -0.814   1.656
  747   HG22  ILE  99          HG22      ILE  99 -18.825  -2.531   1.520
  748   HG23  ILE  99          HG23      ILE  99 -18.439  -1.435   0.196
  749   HD11  ILE  99          HD11      ILE  99 -15.401   1.093   0.036
  750   HD12  ILE  99          HD12      ILE  99 -16.378  -0.232  -0.614
  751   HD13  ILE  99          HD13      ILE  99 -14.935  -0.582   0.350
  752    H    GLY 100           HN       GLY 100 -15.039  -0.274   4.159
  753    HA2  GLY 100           HA2      GLY 100 -13.585  -2.816   4.364
  754    HA3  GLY 100           HA1      GLY 100 -12.854  -1.243   4.057
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  -5.467  14.144  -2.996
    2    H2   GLY   1           HT2      GLY   1  -6.180  12.632  -3.241
    3    H3   GLY   1           HT3      GLY   1  -6.534  13.514  -1.849
    4    HA2  GLY   1           HA1      GLY   1  -7.656  15.196  -3.109
    5    HA3  GLY   1           HA2      GLY   1  -7.207  14.379  -4.601
    6    H    SER   2           HN       SER   2  -9.739  14.746  -4.560
    7    HA   SER   2           HA       SER   2 -11.167  12.673  -3.144
    8    HB2  SER   2           HB2      SER   2 -12.156  14.626  -5.235
    9    HB3  SER   2           HB1      SER   2 -13.162  13.633  -4.180
   10    HG   SER   2           HG       SER   2 -12.989  15.669  -3.274
   11    H    THR   3           HN       THR   3  -9.856  10.971  -4.138
   12    HA   THR   3           HA       THR   3 -10.796  10.240  -6.836
   13    HB   THR   3           HB       THR   3  -8.124   9.811  -5.504
   14    HG1  THR   3           HG1      THR   3  -9.076  11.336  -7.677
   15   HG21  THR   3          HG21      THR   3  -8.747   7.743  -6.649
   16   HG22  THR   3          HG22      THR   3  -7.415   8.561  -7.478
   17   HG23  THR   3          HG23      THR   3  -9.050   8.656  -8.135
   18    H    ALA   4           HN       ALA   4 -10.976   9.467  -3.613
   19    HA   ALA   4           HA       ALA   4 -10.210   6.859  -3.300
   20    HB1  ALA   4           HB1      ALA   4 -12.625   8.110  -2.004
   21    HB2  ALA   4           HB2      ALA   4 -10.957   8.398  -1.505
   22    HB3  ALA   4           HB3      ALA   4 -11.652   6.781  -1.373
   23    H    THR   5           HN       THR   5 -13.398   7.962  -4.392
   24    HA   THR   5           HA       THR   5 -14.866   5.692  -4.548
   25    HB   THR   5           HB       THR   5 -14.694   7.644  -6.830
   26    HG1  THR   5           HG1      THR   5 -15.124   9.101  -5.360
   27   HG21  THR   5          HG21      THR   5 -16.201   5.729  -7.162
   28   HG22  THR   5          HG22      THR   5 -17.101   7.238  -7.014
   29   HG23  THR   5          HG23      THR   5 -17.023   6.120  -5.653
   30    H    LEU   6           HN       LEU   6 -12.076   6.403  -6.488
   31    HA   LEU   6           HA       LEU   6 -12.316   4.528  -8.522
   32    HB2  LEU   6           HB2      LEU   6 -10.551   6.107  -8.581
   33    HB3  LEU   6           HB1      LEU   6 -10.000   5.652  -6.981
   34    HG   LEU   6           HG       LEU   6  -9.226   3.475  -7.909
   35   HD11  LEU   6          HD11      LEU   6 -10.727   3.356  -9.834
   36   HD12  LEU   6          HD12      LEU   6  -9.039   3.222 -10.326
   37   HD13  LEU   6          HD13      LEU   6  -9.909   4.737 -10.562
   38   HD21  LEU   6          HD21      LEU   6  -7.729   5.404  -7.619
   39   HD22  LEU   6          HD22      LEU   6  -8.092   5.916  -9.269
   40   HD23  LEU   6          HD23      LEU   6  -7.258   4.389  -8.986
   41    H    LEU   7           HN       LEU   7 -10.280   4.086  -5.636
   42    HA   LEU   7           HA       LEU   7 -10.308   1.250  -5.973
   43    HB2  LEU   7           HB2      LEU   7  -8.712   3.115  -4.634
   44    HB3  LEU   7           HB1      LEU   7  -9.401   2.102  -3.376
   45    HG   LEU   7           HG       LEU   7  -7.197   1.295  -4.193
   46   HD11  LEU   7          HD11      LEU   7  -7.853  -1.010  -4.234
   47   HD12  LEU   7          HD12      LEU   7  -9.484  -0.583  -4.767
   48   HD13  LEU   7          HD13      LEU   7  -8.943  -0.138  -3.149
   49   HD21  LEU   7          HD21      LEU   7  -6.954   0.362  -6.356
   50   HD22  LEU   7          HD22      LEU   7  -7.675   1.958  -6.596
   51   HD23  LEU   7          HD23      LEU   7  -8.676   0.511  -6.694
   52    H    THR   8           HN       THR   8 -12.005   3.518  -3.969
   53    HA   THR   8           HA       THR   8 -12.945   1.846  -1.953
   54    HB   THR   8           HB       THR   8 -14.152   4.265  -3.251
   55    HG1  THR   8           HG1      THR   8 -12.272   4.687  -2.118
   56   HG21  THR   8          HG21      THR   8 -15.951   2.950  -2.200
   57   HG22  THR   8          HG22      THR   8 -15.654   4.456  -1.333
   58   HG23  THR   8          HG23      THR   8 -15.041   2.932  -0.690
   59    H    SER   9           HN       SER   9 -14.140   2.348  -5.223
   60    HA   SER   9           HA       SER   9 -16.522   0.833  -4.945
   61    HB2  SER   9           HB2      SER   9 -14.895   1.826  -7.264
   62    HB3  SER   9           HB1      SER   9 -16.264   0.736  -7.538
   63    HG   SER   9           HG       SER   9 -16.723   2.893  -5.855
   64    H    LYS  10           HN       LYS  10 -13.217  -0.022  -5.288
   65    HA   LYS  10           HA       LYS  10 -13.580  -2.703  -6.196
   66    HB2  LYS  10           HB2      LYS  10 -11.405  -1.403  -6.299
   67    HB3  LYS  10           HB1      LYS  10 -11.306  -1.582  -4.550
   68    HG2  LYS  10           HG2      LYS  10  -9.923  -3.246  -5.390
   69    HG3  LYS  10           HG1      LYS  10 -11.412  -4.084  -4.961
   70    HD2  LYS  10           HD2      LYS  10 -10.963  -3.067  -7.734
   71    HD3  LYS  10           HD1      LYS  10 -10.284  -4.616  -7.228
   72    HE2  LYS  10           HE2      LYS  10 -12.719  -5.125  -6.459
   73    HE3  LYS  10           HE1      LYS  10 -13.146  -3.797  -7.536
   74    HZ1  LYS  10           HZ1      LYS  10 -13.288  -5.870  -8.706
   75    HZ2  LYS  10           HZ2      LYS  10 -11.693  -6.260  -8.309
   76    HZ3  LYS  10           HZ3      LYS  10 -12.011  -4.958  -9.340
   77    H    LEU  11           HN       LEU  11 -12.786  -1.281  -3.061
   78    HA   LEU  11           HA       LEU  11 -12.781  -3.691  -1.629
   79    HB2  LEU  11           HB2      LEU  11 -13.360  -0.932  -0.563
   80    HB3  LEU  11           HB1      LEU  11 -12.945  -2.327   0.403
   81    HG   LEU  11           HG       LEU  11 -10.912  -1.304   0.330
   82   HD11  LEU  11          HD11      LEU  11  -9.476  -2.414  -1.246
   83   HD12  LEU  11          HD12      LEU  11 -10.850  -2.767  -2.298
   84   HD13  LEU  11          HD13      LEU  11 -10.731  -3.538  -0.711
   85   HD21  LEU  11          HD21      LEU  11 -11.269  -0.447  -2.528
   86   HD22  LEU  11          HD22      LEU  11 -10.120   0.162  -1.331
   87   HD23  LEU  11          HD23      LEU  11 -11.839   0.523  -1.170
   88    H    ALA  12           HN       ALA  12 -15.348  -1.605  -2.586
   89    HA   ALA  12           HA       ALA  12 -17.417  -2.394  -0.918
   90    HB1  ALA  12           HB1      ALA  12 -17.483  -1.764  -3.868
   91    HB2  ALA  12           HB2      ALA  12 -17.629  -0.604  -2.545
   92    HB3  ALA  12           HB3      ALA  12 -18.894  -1.807  -2.808
   93    H    GLY  13           HN       GLY  13 -15.916  -4.055  -3.603
   94    HA2  GLY  13           HA2      GLY  13 -17.932  -6.146  -3.669
   95    HA3  GLY  13           HA1      GLY  13 -16.504  -6.025  -4.688
   96    H    LEU  14           HN       LEU  14 -15.087  -5.550  -1.901
   97    HA   LEU  14           HA       LEU  14 -14.517  -8.391  -1.556
   98    HB2  LEU  14           HB2      LEU  14 -12.987  -5.940  -0.805
   99    HB3  LEU  14           HB1      LEU  14 -12.537  -7.516  -0.262
  100    HG   LEU  14           HG       LEU  14 -11.169  -7.463  -2.007
  101   HD11  LEU  14          HD11      LEU  14 -13.719  -8.025  -3.489
  102   HD12  LEU  14          HD12      LEU  14 -12.741  -9.198  -2.599
  103   HD13  LEU  14          HD13      LEU  14 -12.089  -8.413  -4.043
  104   HD21  LEU  14          HD21      LEU  14 -11.589  -5.128  -2.394
  105   HD22  LEU  14          HD22      LEU  14 -13.023  -5.522  -3.344
  106   HD23  LEU  14          HD23      LEU  14 -11.423  -5.994  -3.925
  107    H    THR  15           HN       THR  15 -13.828  -9.004   0.580
  108    HA   THR  15           HA       THR  15 -15.332  -7.763   2.761
  109    HB   THR  15           HB       THR  15 -14.848  -9.798   3.992
  110    HG1  THR  15           HG1      THR  15 -13.463 -11.383   3.111
  111   HG21  THR  15          HG21      THR  15 -15.851 -11.501   2.509
  112   HG22  THR  15          HG22      THR  15 -15.566 -10.440   1.127
  113   HG23  THR  15          HG23      THR  15 -16.693  -9.954   2.393
  114    H    ALA  16           HN       ALA  16 -13.942  -7.537   4.847
  115    HA   ALA  16           HA       ALA  16 -11.876  -5.761   4.414
  116    HB1  ALA  16           HB1      ALA  16 -12.984  -6.040   6.575
  117    HB2  ALA  16           HB2      ALA  16 -11.231  -6.132   6.749
  118    HB3  ALA  16           HB3      ALA  16 -12.201  -7.604   6.786
  119    H    THR  17           HN       THR  17 -11.721  -9.258   4.538
  120    HA   THR  17           HA       THR  17  -8.875  -9.376   4.643
  121    HB   THR  17           HB       THR  17 -10.918 -11.498   3.975
  122    HG1  THR  17           HG1      THR  17 -10.628 -10.394   6.205
  123   HG21  THR  17          HG21      THR  17  -8.720 -12.018   3.042
  124   HG22  THR  17          HG22      THR  17  -9.126 -13.100   4.377
  125   HG23  THR  17          HG23      THR  17  -7.989 -11.775   4.627
  126    H    GLU  18           HN       GLU  18 -11.267  -9.640   1.974
  127    HA   GLU  18           HA       GLU  18  -9.208 -10.089   0.085
  128    HB2  GLU  18           HB2      GLU  18 -12.068  -9.245  -0.207
  129    HB3  GLU  18           HB1      GLU  18 -10.998  -9.596  -1.546
  130    HG2  GLU  18           HG2      GLU  18 -10.694 -11.870  -0.610
  131    HG3  GLU  18           HG1      GLU  18 -11.929 -11.485   0.582
  132    H    GLN  19           HN       GLN  19 -10.808  -7.304   1.423
  133    HA   GLN  19           HA       GLN  19  -9.930  -5.349  -0.393
  134    HB2  GLN  19           HB2      GLN  19 -10.448  -5.161   2.570
  135    HB3  GLN  19           HB1      GLN  19 -10.303  -3.790   1.489
  136    HG2  GLN  19           HG2      GLN  19 -12.259  -4.453   0.309
  137    HG3  GLN  19           HG1      GLN  19 -12.357  -5.943   1.219
  138   HE21  GLN  19          HE21      GLN  19 -14.353  -3.978   0.938
  139   HE22  GLN  19          HE22      GLN  19 -14.703  -3.375   2.528
  140    H    ARG  20           HN       ARG  20  -8.572  -6.566   2.627
  141    HA   ARG  20           HA       ARG  20  -6.212  -5.051   2.540
  142    HB2  ARG  20           HB2      ARG  20  -5.431  -6.434   4.270
  143    HB3  ARG  20           HB1      ARG  20  -7.164  -6.272   4.489
  144    HG2  ARG  20           HG2      ARG  20  -7.480  -8.371   3.324
  145    HG3  ARG  20           HG1      ARG  20  -5.723  -8.561   3.304
  146    HD2  ARG  20           HD2      ARG  20  -7.528  -8.465   5.703
  147    HD3  ARG  20           HD1      ARG  20  -6.543  -9.820   5.166
  148    HE   ARG  20           HE       ARG  20  -4.855  -7.645   5.711
  149   HH11  ARG  20          HH11      ARG  20  -6.904  -9.948   7.353
  150   HH12  ARG  20          HH12      ARG  20  -6.082  -9.802   8.870
  151   HH21  ARG  20          HH21      ARG  20  -3.765  -7.429   7.745
  152   HH22  ARG  20          HH22      ARG  20  -4.321  -8.374   9.093
  153    H    ALA  21           HN       ALA  21  -7.181  -8.018   1.099
  154    HA   ALA  21           HA       ALA  21  -4.611  -8.876   0.250
  155    HB1  ALA  21           HB1      ALA  21  -7.291  -9.630  -0.888
  156    HB2  ALA  21           HB2      ALA  21  -6.520 -10.401   0.498
  157    HB3  ALA  21           HB3      ALA  21  -5.776 -10.507  -1.097
  158    H    VAL  22           HN       VAL  22  -7.134  -6.981  -1.344
  159    HA   VAL  22           HA       VAL  22  -5.958  -7.184  -3.915
  160    HB   VAL  22           HB       VAL  22  -7.455  -5.265  -4.551
  161   HG11  VAL  22          HG11      VAL  22  -9.485  -6.565  -4.435
  162   HG12  VAL  22          HG12      VAL  22  -8.821  -7.543  -3.125
  163   HG13  VAL  22          HG13      VAL  22  -8.116  -7.636  -4.740
  164   HG21  VAL  22          HG21      VAL  22  -8.352  -5.512  -1.676
  165   HG22  VAL  22          HG22      VAL  22  -9.205  -4.615  -2.932
  166   HG23  VAL  22          HG23      VAL  22  -7.593  -4.107  -2.429
  167    H    THR  23           HN       THR  23  -5.704  -4.630  -1.417
  168    HA   THR  23           HA       THR  23  -3.730  -3.412  -3.163
  169    HB   THR  23           HB       THR  23  -5.070  -1.798  -2.262
  170    HG1  THR  23           HG1      THR  23  -3.196  -1.069  -0.530
  171   HG21  THR  23          HG21      THR  23  -4.403  -2.715   0.505
  172   HG22  THR  23          HG22      THR  23  -5.927  -3.047  -0.312
  173   HG23  THR  23          HG23      THR  23  -5.474  -1.384   0.077
  174    H    ARG  24           HN       ARG  24  -3.700  -5.675  -0.598
  175    HA   ARG  24           HA       ARG  24  -0.992  -5.307   0.164
  176    HB2  ARG  24           HB2      ARG  24  -2.363  -6.997   1.276
  177    HB3  ARG  24           HB1      ARG  24  -2.572  -7.860  -0.237
  178    HG2  ARG  24           HG2      ARG  24   0.068  -7.927  -0.142
  179    HG3  ARG  24           HG1      ARG  24  -0.238  -7.754   1.586
  180    HD2  ARG  24           HD2      ARG  24  -1.684  -9.716   1.530
  181    HD3  ARG  24           HD1      ARG  24  -1.410  -9.871  -0.205
  182    HE   ARG  24           HE       ARG  24   1.085  -9.908   0.929
  183   HH11  ARG  24          HH11      ARG  24  -1.816 -11.845   1.157
  184   HH12  ARG  24          HH12      ARG  24  -0.968 -13.291   1.603
  185   HH21  ARG  24          HH21      ARG  24   2.211 -11.800   1.482
  186   HH22  ARG  24          HH22      ARG  24   1.326 -13.271   1.768
  187    H    LYS  25           HN       LYS  25  -2.555  -6.000  -2.686
  188    HA   LYS  25           HA       LYS  25  -0.217  -7.003  -4.054
  189    HB2  LYS  25           HB2      LYS  25  -2.049  -8.296  -4.613
  190    HB3  LYS  25           HB1      LYS  25  -3.173  -6.965  -4.459
  191    HG2  LYS  25           HG2      LYS  25  -3.045  -7.696  -6.735
  192    HG3  LYS  25           HG1      LYS  25  -2.405  -6.065  -6.562
  193    HD2  LYS  25           HD2      LYS  25  -0.131  -6.917  -6.664
  194    HD3  LYS  25           HD1      LYS  25  -0.731  -8.577  -6.694
  195    HE2  LYS  25           HE2      LYS  25  -1.896  -8.051  -8.825
  196    HE3  LYS  25           HE1      LYS  25  -1.131  -6.465  -8.805
  197    HZ1  LYS  25           HZ1      LYS  25   1.026  -7.543  -8.881
  198    HZ2  LYS  25           HZ2      LYS  25   0.077  -8.017 -10.196
  199    HZ3  LYS  25           HZ3      LYS  25   0.292  -9.068  -8.888
  200    H    LEU  26           HN       LEU  26  -2.458  -4.226  -3.822
  201    HA   LEU  26           HA       LEU  26  -1.303  -2.797  -5.986
  202    HB2  LEU  26           HB2      LEU  26  -3.575  -2.389  -5.338
  203    HB3  LEU  26           HB1      LEU  26  -3.079  -1.944  -3.724
  204    HG   LEU  26           HG       LEU  26  -3.770  -0.094  -5.354
  205   HD11  LEU  26          HD11      LEU  26  -2.717   0.095  -3.106
  206   HD12  LEU  26          HD12      LEU  26  -2.415   1.447  -4.206
  207   HD13  LEU  26          HD13      LEU  26  -1.163   0.236  -3.931
  208   HD21  LEU  26          HD21      LEU  26  -2.012   0.826  -6.726
  209   HD22  LEU  26          HD22      LEU  26  -2.397  -0.821  -7.233
  210   HD23  LEU  26          HD23      LEU  26  -0.948  -0.511  -6.278
  211    H    VAL  27           HN       VAL  27  -0.981  -2.303  -2.414
  212    HA   VAL  27           HA       VAL  27   0.850  -0.201  -2.601
  213    HB   VAL  27           HB       VAL  27  -0.085  -0.672  -0.427
  214   HG11  VAL  27          HG11      VAL  27   1.301  -3.326  -0.674
  215   HG12  VAL  27          HG12      VAL  27  -0.423  -3.016  -0.479
  216   HG13  VAL  27          HG13      VAL  27   0.690  -2.689   0.853
  217   HG21  VAL  27          HG21      VAL  27   1.928  -0.701   0.970
  218   HG22  VAL  27          HG22      VAL  27   2.143   0.347  -0.433
  219   HG23  VAL  27          HG23      VAL  27   2.880  -1.259  -0.406
  220    H    LEU  28           HN       LEU  28   1.220  -3.605  -2.683
  221    HA   LEU  28           HA       LEU  28   3.977  -3.907  -2.741
  222    HB2  LEU  28           HB2      LEU  28   1.867  -5.539  -2.729
  223    HB3  LEU  28           HB1      LEU  28   2.223  -5.595  -4.439
  224    HG   LEU  28           HG       LEU  28   4.358  -6.574  -4.047
  225   HD11  LEU  28          HD11      LEU  28   5.101  -7.023  -1.714
  226   HD12  LEU  28          HD12      LEU  28   3.798  -5.960  -1.162
  227   HD13  LEU  28          HD13      LEU  28   5.096  -5.321  -2.170
  228   HD21  LEU  28          HD21      LEU  28   2.577  -8.158  -4.004
  229   HD22  LEU  28          HD22      LEU  28   2.162  -7.734  -2.342
  230   HD23  LEU  28          HD23      LEU  28   3.676  -8.580  -2.688
  231    H    ASP  29           HN       ASP  29   1.643  -3.485  -5.322
  232    HA   ASP  29           HA       ASP  29   3.432  -3.699  -7.500
  233    HB2  ASP  29           HB2      ASP  29   0.917  -3.921  -7.580
  234    HB3  ASP  29           HB1      ASP  29   0.831  -2.178  -7.408
  235    H    GLN  30           HN       GLN  30   2.068  -0.988  -5.719
  236    HA   GLN  30           HA       GLN  30   3.261   1.092  -7.135
  237    HB2  GLN  30           HB2      GLN  30   2.608   0.940  -4.213
  238    HB3  GLN  30           HB1      GLN  30   2.819   2.409  -5.152
  239    HG2  GLN  30           HG2      GLN  30   0.624   0.374  -5.449
  240    HG3  GLN  30           HG1      GLN  30   0.496   2.020  -4.841
  241   HE21  GLN  30          HE21      GLN  30   0.878   0.020  -7.642
  242   HE22  GLN  30          HE22      GLN  30   0.540   1.247  -8.820
  243    H    ALA  31           HN       ALA  31   4.304  -0.632  -4.254
  244    HA   ALA  31           HA       ALA  31   6.692   0.789  -3.777
  245    HB1  ALA  31           HB1      ALA  31   7.289  -1.098  -2.375
  246    HB2  ALA  31           HB2      ALA  31   6.066  -2.101  -3.166
  247    HB3  ALA  31           HB3      ALA  31   5.573  -0.728  -2.167
  248    H    ALA  32           HN       ALA  32   5.800  -1.763  -5.877
  249    HA   ALA  32           HA       ALA  32   8.389  -2.627  -6.624
  250    HB1  ALA  32           HB1      ALA  32   6.916  -3.443  -8.661
  251    HB2  ALA  32           HB2      ALA  32   5.570  -2.955  -7.613
  252    HB3  ALA  32           HB3      ALA  32   6.736  -4.177  -7.068
  253    H    SER  33           HN       SER  33   6.007  -0.379  -7.927
  254    HA   SER  33           HA       SER  33   7.408   0.359 -10.246
  255    HB2  SER  33           HB2      SER  33   5.054   0.852  -9.968
  256    HB3  SER  33           HB1      SER  33   5.388   1.837  -8.545
  257    HG   SER  33           HG       SER  33   6.625   2.495 -10.983
  258    H    VAL  34           HN       VAL  34   7.480   1.517  -6.939
  259    HA   VAL  34           HA       VAL  34   9.120   3.766  -7.260
  260    HB   VAL  34           HB       VAL  34   9.135   1.921  -4.889
  261   HG11  VAL  34          HG11      VAL  34   9.481   4.060  -3.659
  262   HG12  VAL  34          HG12      VAL  34   9.637   4.866  -5.220
  263   HG13  VAL  34          HG13      VAL  34  10.797   3.624  -4.750
  264   HG21  VAL  34          HG21      VAL  34   7.293   3.231  -3.998
  265   HG22  VAL  34          HG22      VAL  34   6.858   2.339  -5.451
  266   HG23  VAL  34          HG23      VAL  34   7.158   4.077  -5.537
  267    H    LEU  35           HN       LEU  35   9.816   0.539  -6.103
  268    HA   LEU  35           HA       LEU  35  12.529   0.952  -5.706
  269    HB2  LEU  35           HB2      LEU  35  10.563  -1.147  -5.542
  270    HB3  LEU  35           HB1      LEU  35  12.166  -1.758  -5.918
  271    HG   LEU  35           HG       LEU  35  12.950  -1.299  -3.822
  272   HD11  LEU  35          HD11      LEU  35  12.760   1.109  -3.873
  273   HD12  LEU  35          HD12      LEU  35  12.076   0.513  -2.360
  274   HD13  LEU  35          HD13      LEU  35  11.007   1.008  -3.680
  275   HD21  LEU  35          HD21      LEU  35  11.230  -2.769  -3.361
  276   HD22  LEU  35          HD22      LEU  35   9.988  -1.557  -3.680
  277   HD23  LEU  35          HD23      LEU  35  10.965  -1.461  -2.207
  278    H    GLY  36           HN       GLY  36  10.813  -0.181  -8.550
  279    HA2  GLY  36           HA2      GLY  36  12.220   0.257 -10.611
  280    HA3  GLY  36           HA1      GLY  36  13.434  -0.694  -9.772
  281    H    TYR  37           HN       TYR  37  10.239  -1.697  -9.340
  282    HA   TYR  37           HA       TYR  37  10.940  -4.172 -10.737
  283    HB2  TYR  37           HB2      TYR  37   8.758  -3.690  -8.708
  284    HB3  TYR  37           HB1      TYR  37   9.389  -5.238  -9.237
  285    HD1  TYR  37           HD1      TYR  37   9.172  -4.348  -6.358
  286    HD2  TYR  37           HD2      TYR  37  12.317  -4.050  -9.187
  287    HE1  TYR  37           HE1      TYR  37  10.791  -4.325  -4.524
  288    HE2  TYR  37           HE2      TYR  37  13.952  -4.001  -7.379
  289    HH   TYR  37           HH       TYR  37  14.051  -3.446  -4.965
  290    H    ALA  38           HN       ALA  38   8.855  -5.421 -11.423
  291    HA   ALA  38           HA       ALA  38   6.924  -3.623 -12.702
  292    HB1  ALA  38           HB1      ALA  38   7.186  -4.665 -14.858
  293    HB2  ALA  38           HB2      ALA  38   8.397  -5.772 -14.213
  294    HB3  ALA  38           HB3      ALA  38   8.749  -4.048 -14.321
  295    H    SER  39           HN       SER  39   7.563  -6.397 -10.965
  296    HA   SER  39           HA       SER  39   4.830  -7.283 -11.216
  297    HB2  SER  39           HB2      SER  39   6.026  -8.478 -13.052
  298    HB3  SER  39           HB1      SER  39   7.098  -9.189 -11.850
  299    HG   SER  39           HG       SER  39   5.350 -10.280 -10.969
  300    H    THR  40           HN       THR  40   6.489  -6.073  -9.233
  301    HA   THR  40           HA       THR  40   7.228  -6.207  -7.094
  302    HB   THR  40           HB       THR  40   5.763  -7.470  -5.539
  303    HG1  THR  40           HG1      THR  40   5.197  -8.886  -7.748
  304   HG21  THR  40          HG21      THR  40   5.116  -5.245  -6.177
  305   HG22  THR  40          HG22      THR  40   3.667  -6.256  -6.148
  306   HG23  THR  40          HG23      THR  40   4.423  -5.836  -7.688
  307    H    GLU  41           HN       GLU  41   8.754  -7.706  -8.806
  308    HA   GLU  41           HA       GLU  41   9.062 -10.408  -8.139
  309    HB2  GLU  41           HB2      GLU  41  11.323 -10.132  -9.279
  310    HB3  GLU  41           HB1      GLU  41   9.895  -9.734 -10.220
  311    HG2  GLU  41           HG2      GLU  41  11.209  -7.522  -8.764
  312    HG3  GLU  41           HG1      GLU  41  12.045  -8.190 -10.167
  313    H    SER  42           HN       SER  42  10.693  -7.547  -6.813
  314    HA   SER  42           HA       SER  42  12.181  -9.365  -5.049
  315    HB2  SER  42           HB2      SER  42  13.609  -8.074  -6.600
  316    HB3  SER  42           HB1      SER  42  12.968  -6.577  -5.932
  317    HG   SER  42           HG       SER  42  14.259  -8.529  -4.332
  318    H    LEU  43           HN       LEU  43   9.527  -8.484  -4.520
  319    HA   LEU  43           HA       LEU  43   9.979  -6.757  -2.197
  320    HB2  LEU  43           HB2      LEU  43   7.531  -7.368  -3.812
  321    HB3  LEU  43           HB1      LEU  43   7.478  -6.493  -2.290
  322    HG   LEU  43           HG       LEU  43   9.106  -5.602  -4.657
  323   HD11  LEU  43          HD11      LEU  43   6.758  -5.628  -5.226
  324   HD12  LEU  43          HD12      LEU  43   7.356  -3.977  -5.053
  325   HD13  LEU  43          HD13      LEU  43   6.384  -4.705  -3.772
  326   HD21  LEU  43          HD21      LEU  43   9.877  -4.769  -2.528
  327   HD22  LEU  43          HD22      LEU  43   8.243  -4.251  -2.115
  328   HD23  LEU  43          HD23      LEU  43   9.105  -3.473  -3.441
  329    H    ASP  44           HN       ASP  44   8.444  -7.135  -0.401
  330    HA   ASP  44           HA       ASP  44   7.568  -9.881  -0.010
  331    HB2  ASP  44           HB2      ASP  44  10.002  -9.285   0.993
  332    HB3  ASP  44           HB1      ASP  44   8.999  -8.633   2.280
  333    H    THR  45           HN       THR  45   5.617  -9.869   1.028
  334    HA   THR  45           HA       THR  45   4.641  -7.307   1.982
  335    HB   THR  45           HB       THR  45   2.522  -8.701   2.424
  336    HG1  THR  45           HG1      THR  45   3.786 -10.466   0.575
  337   HG21  THR  45          HG21      THR  45   1.909  -8.633   0.018
  338   HG22  THR  45          HG22      THR  45   3.587  -8.229  -0.346
  339   HG23  THR  45          HG23      THR  45   2.609  -7.139   0.634
  340    H    HIS  46           HN       HIS  46   6.275  -9.931   3.238
  341    HA   HIS  46           HA       HIS  46   5.118  -9.551   5.913
  342    HB2  HIS  46           HB2      HIS  46   6.815 -11.771   4.768
  343    HB3  HIS  46           HB1      HIS  46   6.439 -11.636   6.476
  344    HD1  HIS  46           HD1      HIS  46   4.667 -13.248   7.057
  345    HD2  HIS  46           HD2      HIS  46   4.081 -11.592   3.294
  346    HE1  HIS  46           HE1      HIS  46   2.545 -14.274   6.194
  347    HE2  HIS  46           HE2      HIS  46   2.295 -13.378   3.860
  348    H    GLU  47           HN       GLU  47   7.466  -8.249   4.108
  349    HA   GLU  47           HA       GLU  47   9.196  -7.810   6.438
  350    HB2  GLU  47           HB2      GLU  47  11.055  -8.285   5.279
  351    HB3  GLU  47           HB1      GLU  47   9.994  -9.043   4.106
  352    HG2  GLU  47           HG2      GLU  47   9.922  -6.897   2.857
  353    HG3  GLU  47           HG1      GLU  47  11.089  -6.240   4.008
  354    H    SER  48           HN       SER  48  10.146  -5.669   6.531
  355    HA   SER  48           HA       SER  48   8.010  -3.806   5.921
  356    HB2  SER  48           HB2      SER  48  10.501  -3.205   7.503
  357    HB3  SER  48           HB1      SER  48   8.911  -2.453   7.620
  358    HG   SER  48           HG       SER  48   9.382  -5.179   8.221
  359    H    PHE  49           HN       PHE  49   8.280  -1.834   4.922
  360    HA   PHE  49           HA       PHE  49   9.691  -1.781   2.549
  361    HB2  PHE  49           HB2      PHE  49   8.686   0.567   4.141
  362    HB3  PHE  49           HB1      PHE  49   9.167   0.623   2.449
  363    HD1  PHE  49           HD1      PHE  49   7.772  -0.231   0.744
  364    HD2  PHE  49           HD2      PHE  49   6.652  -0.607   4.822
  365    HE1  PHE  49           HE1      PHE  49   5.515  -0.883   0.058
  366    HE2  PHE  49           HE2      PHE  49   4.380  -1.259   4.141
  367    HZ   PHE  49           HZ       PHE  49   3.766  -1.297   1.835
  368    H    LYS  50           HN       LYS  50  10.670  -0.623   5.668
  369    HA   LYS  50           HA       LYS  50  12.999   0.673   5.281
  370    HB2  LYS  50           HB2      LYS  50  11.992  -0.152   7.432
  371    HB3  LYS  50           HB1      LYS  50  12.652  -1.734   7.063
  372    HG2  LYS  50           HG2      LYS  50  14.073  -0.667   8.630
  373    HG3  LYS  50           HG1      LYS  50  14.916  -0.767   7.088
  374    HD2  LYS  50           HD2      LYS  50  15.328   1.396   8.038
  375    HD3  LYS  50           HD1      LYS  50  14.256   1.595   6.653
  376    HE2  LYS  50           HE2      LYS  50  12.344   1.811   8.108
  377    HE3  LYS  50           HE1      LYS  50  13.336   1.457   9.522
  378    HZ1  LYS  50           HZ1      LYS  50  14.581   3.489   9.100
  379    HZ2  LYS  50           HZ2      LYS  50  12.937   3.821   9.306
  380    HZ3  LYS  50           HZ3      LYS  50  13.610   3.830   7.758
  381    H    ASP  51           HN       ASP  51  12.604  -2.818   5.271
  382    HA   ASP  51           HA       ASP  51  15.250  -3.356   4.382
  383    HB2  ASP  51           HB2      ASP  51  13.565  -4.812   5.761
  384    HB3  ASP  51           HB1      ASP  51  13.043  -5.352   4.173
  385    H    LEU  52           HN       LEU  52  12.314  -2.607   2.786
  386    HA   LEU  52           HA       LEU  52  12.960  -3.767   0.247
  387    HB2  LEU  52           HB2      LEU  52  10.898  -1.841   1.230
  388    HB3  LEU  52           HB1      LEU  52  11.123  -2.070  -0.477
  389    HG   LEU  52           HG       LEU  52  10.535  -4.437  -0.269
  390   HD11  LEU  52          HD11      LEU  52  10.213  -3.768   2.635
  391   HD12  LEU  52          HD12      LEU  52  11.328  -4.935   1.922
  392   HD13  LEU  52          HD13      LEU  52   9.587  -5.226   1.874
  393   HD21  LEU  52          HD21      LEU  52   8.578  -2.561   1.024
  394   HD22  LEU  52          HD22      LEU  52   8.189  -4.170   0.419
  395   HD23  LEU  52          HD23      LEU  52   8.729  -2.912  -0.699
  396    H    GLY  53           HN       GLY  53  13.813  -0.958   1.961
  397    HA2  GLY  53           HA2      GLY  53  15.763   0.220   1.230
  398    HA3  GLY  53           HA1      GLY  53  15.220   0.022  -0.423
  399    H    PHE  54           HN       PHE  54  12.638   0.861   1.649
  400    HA   PHE  54           HA       PHE  54  12.494   3.412   0.386
  401    HB2  PHE  54           HB2      PHE  54  10.747   2.086   2.460
  402    HB3  PHE  54           HB1      PHE  54  10.434   3.688   1.802
  403    HD1  PHE  54           HD1      PHE  54   9.633   3.986  -0.419
  404    HD2  PHE  54           HD2      PHE  54  10.626   0.126   1.037
  405    HE1  PHE  54           HE1      PHE  54   8.465   2.984  -2.323
  406    HE2  PHE  54           HE2      PHE  54   9.472  -0.903  -0.858
  407    HZ   PHE  54           HZ       PHE  54   8.494   0.559  -2.651
  408    H    ASP  55           HN       ASP  55  12.177   5.430   1.501
  409    HA   ASP  55           HA       ASP  55  13.318   5.899   4.075
  410    HB2  ASP  55           HB2      ASP  55  15.312   5.401   2.451
  411    HB3  ASP  55           HB1      ASP  55  14.953   6.994   1.791
  412    H    SER  56           HN       SER  56  14.144   8.597   3.587
  413    HA   SER  56           HA       SER  56  11.577   9.854   3.239
  414    HB2  SER  56           HB2      SER  56  14.314  11.102   3.594
  415    HB3  SER  56           HB1      SER  56  12.769  11.933   3.765
  416    HG   SER  56           HG       SER  56  12.585  11.154   5.704
  417    H    LEU  57           HN       LEU  57  12.364   8.507   0.966
  418    HA   LEU  57           HA       LEU  57  12.376  10.594  -1.055
  419    HB2  LEU  57           HB2      LEU  57  14.065   8.116  -1.166
  420    HB3  LEU  57           HB1      LEU  57  14.018   9.387  -2.370
  421    HG   LEU  57           HG       LEU  57  14.976   9.793   0.451
  422   HD11  LEU  57          HD11      LEU  57  17.246   9.679  -0.465
  423   HD12  LEU  57          HD12      LEU  57  16.586   9.219  -2.034
  424   HD13  LEU  57          HD13      LEU  57  16.391   8.148  -0.647
  425   HD21  LEU  57          HD21      LEU  57  16.006  11.804  -0.496
  426   HD22  LEU  57          HD22      LEU  57  14.253  11.808  -0.689
  427   HD23  LEU  57          HD23      LEU  57  15.291  11.427  -2.063
  428    H    THR  58           HN       THR  58  12.656   7.083  -0.953
  429    HA   THR  58           HA       THR  58  10.867   6.687  -3.105
  430    HB   THR  58           HB       THR  58  11.084   4.231  -2.255
  431    HG1  THR  58           HG1      THR  58  13.249   4.276  -1.015
  432   HG21  THR  58          HG21      THR  58  13.278   4.037  -3.292
  433   HG22  THR  58          HG22      THR  58  13.532   5.774  -3.118
  434   HG23  THR  58          HG23      THR  58  12.273   5.171  -4.196
  435    H    ALA  59           HN       ALA  59  10.567   6.295   0.401
  436    HA   ALA  59           HA       ALA  59   8.028   5.196   0.495
  437    HB1  ALA  59           HB1      ALA  59   7.877   6.060   2.745
  438    HB2  ALA  59           HB2      ALA  59   9.131   7.257   2.413
  439    HB3  ALA  59           HB3      ALA  59   9.542   5.544   2.458
  440    H    LEU  60           HN       LEU  60   9.109   8.459  -0.051
  441    HA   LEU  60           HA       LEU  60   6.643   9.760   0.301
  442    HB2  LEU  60           HB2      LEU  60   9.125  10.487  -1.237
  443    HB3  LEU  60           HB1      LEU  60   7.740  11.557  -1.126
  444    HG   LEU  60           HG       LEU  60   9.533  12.153   0.475
  445   HD11  LEU  60          HD11      LEU  60   7.023  11.152   1.784
  446   HD12  LEU  60          HD12      LEU  60   7.218  12.713   0.986
  447   HD13  LEU  60          HD13      LEU  60   8.139  12.343   2.445
  448   HD21  LEU  60          HD21      LEU  60   9.901  10.742   2.440
  449   HD22  LEU  60          HD22      LEU  60  10.416   9.944   0.953
  450   HD23  LEU  60          HD23      LEU  60   8.890   9.489   1.718
  451    H    GLU  61           HN       GLU  61   8.289   8.603  -2.644
  452    HA   GLU  61           HA       GLU  61   6.073   9.333  -4.302
  453    HB2  GLU  61           HB2      GLU  61   7.230   7.782  -5.989
  454    HB3  GLU  61           HB1      GLU  61   8.098   9.226  -5.478
  455    HG2  GLU  61           HG2      GLU  61   9.430   7.906  -3.950
  456    HG3  GLU  61           HG1      GLU  61   8.526   6.460  -4.383
  457    H    LEU  62           HN       LEU  62   6.975   6.436  -2.547
  458    HA   LEU  62           HA       LEU  62   4.998   4.736  -3.680
  459    HB2  LEU  62           HB2      LEU  62   6.778   3.808  -2.346
  460    HB3  LEU  62           HB1      LEU  62   6.253   4.726  -0.951
  461    HG   LEU  62           HG       LEU  62   4.148   3.473  -0.904
  462   HD11  LEU  62          HD11      LEU  62   3.908   2.984  -3.237
  463   HD12  LEU  62          HD12      LEU  62   3.915   1.478  -2.313
  464   HD13  LEU  62          HD13      LEU  62   5.351   1.972  -3.207
  465   HD21  LEU  62          HD21      LEU  62   6.514   1.635  -1.015
  466   HD22  LEU  62          HD22      LEU  62   5.044   1.448  -0.055
  467   HD23  LEU  62          HD23      LEU  62   6.184   2.746   0.312
  468    H    ARG  63           HN       ARG  63   5.060   6.752  -0.783
  469    HA   ARG  63           HA       ARG  63   2.488   6.327   0.175
  470    HB2  ARG  63           HB2      ARG  63   3.938   7.583   1.533
  471    HB3  ARG  63           HB1      ARG  63   4.447   8.610   0.204
  472    HG2  ARG  63           HG2      ARG  63   1.917   9.374   0.278
  473    HG3  ARG  63           HG1      ARG  63   2.065   8.829   1.952
  474    HD2  ARG  63           HD2      ARG  63   2.582  11.227   1.696
  475    HD3  ARG  63           HD1      ARG  63   3.953  10.300   2.305
  476    HE   ARG  63           HE       ARG  63   4.493  10.308  -0.296
  477   HH11  ARG  63          HH11      ARG  63   3.495  12.927   1.805
  478   HH12  ARG  63          HH12      ARG  63   4.266  14.150   0.848
  479   HH21  ARG  63          HH21      ARG  63   5.477  11.923  -1.578
  480   HH22  ARG  63          HH22      ARG  63   5.397  13.580  -1.071
  481    H    ASP  64           HN       ASP  64   3.815   8.615  -2.127
  482    HA   ASP  64           HA       ASP  64   1.541   9.929  -2.958
  483    HB2  ASP  64           HB2      ASP  64   3.967  10.401  -3.523
  484    HB3  ASP  64           HB1      ASP  64   3.810   9.160  -4.757
  485    H    HIS  65           HN       HIS  65   2.968   6.907  -4.091
  486    HA   HIS  65           HA       HIS  65   1.229   6.404  -6.226
  487    HB2  HIS  65           HB2      HIS  65   2.803   4.566  -4.467
  488    HB3  HIS  65           HB1      HIS  65   1.897   4.010  -5.858
  489    HD1  HIS  65           HD1      HIS  65   2.892   6.688  -7.554
  490    HD2  HIS  65           HD2      HIS  65   5.145   3.795  -5.633
  491    HE1  HIS  65           HE1      HIS  65   5.172   6.741  -8.645
  492    HE2  HIS  65           HE2      HIS  65   6.469   4.910  -7.545
  493    H    LEU  66           HN       LEU  66   1.032   5.450  -2.789
  494    HA   LEU  66           HA       LEU  66  -1.161   3.710  -3.117
  495    HB2  LEU  66           HB2      LEU  66   0.011   5.195  -0.818
  496    HB3  LEU  66           HB1      LEU  66  -1.511   4.362  -0.611
  497    HG   LEU  66           HG       LEU  66  -0.551   2.260  -0.777
  498   HD11  LEU  66          HD11      LEU  66   1.636   1.789  -1.746
  499   HD12  LEU  66          HD12      LEU  66   1.849   3.501  -2.112
  500   HD13  LEU  66          HD13      LEU  66   0.581   2.576  -2.915
  501   HD21  LEU  66          HD21      LEU  66   1.579   4.049   0.360
  502   HD22  LEU  66          HD22      LEU  66   1.484   2.304   0.601
  503   HD23  LEU  66          HD23      LEU  66   0.210   3.353   1.226
  504    H    GLN  67           HN       GLN  67  -0.984   7.136  -2.381
  505    HA   GLN  67           HA       GLN  67  -3.786   7.464  -1.903
  506    HB2  GLN  67           HB2      GLN  67  -1.937   9.650  -2.802
  507    HB3  GLN  67           HB1      GLN  67  -3.326   9.765  -1.730
  508    HG2  GLN  67           HG2      GLN  67  -2.201   8.893   0.057
  509    HG3  GLN  67           HG1      GLN  67  -1.040   8.053  -0.972
  510   HE21  GLN  67          HE21      GLN  67  -0.437  10.343  -2.604
  511   HE22  GLN  67          HE22      GLN  67   0.510  11.407  -1.640
  512    H    THR  68           HN       THR  68  -1.670   7.728  -4.672
  513    HA   THR  68           HA       THR  68  -3.541   8.749  -6.490
  514    HB   THR  68           HB       THR  68  -0.919   7.354  -6.528
  515    HG1  THR  68           HG1      THR  68  -1.374   9.730  -6.279
  516   HG21  THR  68          HG21      THR  68  -2.071   6.340  -8.410
  517   HG22  THR  68          HG22      THR  68  -0.815   7.442  -8.973
  518   HG23  THR  68          HG23      THR  68  -2.509   7.933  -9.027
  519    H    ALA  69           HN       ALA  69  -2.338   5.568  -5.766
  520    HA   ALA  69           HA       ALA  69  -3.894   4.033  -7.453
  521    HB1  ALA  69           HB1      ALA  69  -3.303   2.188  -5.954
  522    HB2  ALA  69           HB2      ALA  69  -2.715   3.371  -4.781
  523    HB3  ALA  69           HB3      ALA  69  -1.928   3.220  -6.351
  524    H    THR  70           HN       THR  70  -4.492   4.876  -4.041
  525    HA   THR  70           HA       THR  70  -7.001   3.393  -4.108
  526    HB   THR  70           HB       THR  70  -7.115   3.806  -1.705
  527    HG1  THR  70           HG1      THR  70  -4.635   5.179  -1.857
  528   HG21  THR  70          HG21      THR  70  -5.660   1.997  -2.595
  529   HG22  THR  70          HG22      THR  70  -5.138   2.621  -1.029
  530   HG23  THR  70          HG23      THR  70  -4.293   3.114  -2.497
  531    H    GLY  71           HN       GLY  71  -5.818   6.646  -3.923
  532    HA2  GLY  71           HA2      GLY  71  -6.966   8.606  -4.436
  533    HA3  GLY  71           HA1      GLY  71  -8.480   7.707  -4.409
  534    H    LEU  72           HN       LEU  72  -6.622   6.937  -1.781
  535    HA   LEU  72           HA       LEU  72  -8.311   8.543  -0.016
  536    HB2  LEU  72           HB2      LEU  72  -6.682   6.038   0.326
  537    HB3  LEU  72           HB1      LEU  72  -7.240   6.943   1.716
  538    HG   LEU  72           HG       LEU  72  -8.687   5.026   1.213
  539   HD11  LEU  72          HD11      LEU  72 -10.830   6.208   1.240
  540   HD12  LEU  72          HD12      LEU  72 -10.009   7.695   0.766
  541   HD13  LEU  72          HD13      LEU  72  -9.653   6.949   2.324
  542   HD21  LEU  72          HD21      LEU  72  -8.422   4.936  -1.199
  543   HD22  LEU  72          HD22      LEU  72  -9.308   6.447  -1.363
  544   HD23  LEU  72          HD23      LEU  72 -10.121   5.009  -0.745
  545    H    ASN  73           HN       ASN  73  -6.732   8.571   2.252
  546    HA   ASN  73           HA       ASN  73  -4.648  10.447   1.374
  547    HB2  ASN  73           HB2      ASN  73  -6.641  11.574   2.290
  548    HB3  ASN  73           HB1      ASN  73  -6.434  10.689   3.797
  549   HD21  ASN  73          HD21      ASN  73  -5.023  13.101   1.691
  550   HD22  ASN  73          HD22      ASN  73  -4.037  13.851   2.899
  551    H    LEU  74           HN       LEU  74  -2.798   9.449   1.714
  552    HA   LEU  74           HA       LEU  74  -2.427   7.928   4.174
  553    HB2  LEU  74           HB2      LEU  74  -0.908   7.855   1.575
  554    HB3  LEU  74           HB1      LEU  74  -0.429   6.975   3.008
  555    HG   LEU  74           HG       LEU  74  -1.507   5.376   1.704
  556   HD11  LEU  74          HD11      LEU  74  -2.338   5.414   3.978
  557   HD12  LEU  74          HD12      LEU  74  -3.569   4.856   2.845
  558   HD13  LEU  74          HD13      LEU  74  -3.637   6.495   3.483
  559   HD21  LEU  74          HD21      LEU  74  -2.431   6.754  -0.032
  560   HD22  LEU  74          HD22      LEU  74  -3.612   7.440   1.080
  561   HD23  LEU  74          HD23      LEU  74  -3.722   5.740   0.625
  562    H    SER  75           HN       SER  75   0.516   8.131   4.222
  563    HA   SER  75           HA       SER  75   0.675  10.950   4.993
  564    HB2  SER  75           HB2      SER  75  -0.301   9.585   6.887
  565    HB3  SER  75           HB1      SER  75   1.260   8.775   6.998
  566    HG   SER  75           HG       SER  75   0.695  11.531   7.376
  567    H    SER  76           HN       SER  76   2.906  11.399   6.080
  568    HA   SER  76           HA       SER  76   4.823  11.023   4.072
  569    HB2  SER  76           HB2      SER  76   5.407  11.796   6.934
  570    HB3  SER  76           HB1      SER  76   6.320  12.238   5.492
  571    HG   SER  76           HG       SER  76   5.114  13.971   5.618
  572    H    THR  77           HN       THR  77   4.631   9.559   7.308
  573    HA   THR  77           HA       THR  77   6.838   7.754   6.585
  574    HB   THR  77           HB       THR  77   6.931   7.281   9.060
  575    HG1  THR  77           HG1      THR  77   5.786   8.571  10.444
  576   HG21  THR  77          HG21      THR  77   8.495   8.803   7.980
  577   HG22  THR  77          HG22      THR  77   8.088   9.376   9.598
  578   HG23  THR  77          HG23      THR  77   7.356  10.133   8.183
  579    H    LEU  78           HN       LEU  78   4.299   7.506   5.595
  580    HA   LEU  78           HA       LEU  78   2.396   5.991   6.811
  581    HB2  LEU  78           HB2      LEU  78   2.304   7.115   4.624
  582    HB3  LEU  78           HB1      LEU  78   3.365   5.904   3.970
  583    HG   LEU  78           HG       LEU  78   0.791   5.857   3.549
  584   HD11  LEU  78          HD11      LEU  78   0.929   3.376   3.338
  585   HD12  LEU  78          HD12      LEU  78   2.541   3.490   4.046
  586   HD13  LEU  78          HD13      LEU  78   2.185   4.304   2.511
  587   HD21  LEU  78          HD21      LEU  78  -0.146   5.794   5.633
  588   HD22  LEU  78          HD22      LEU  78   1.092   4.712   6.279
  589   HD23  LEU  78          HD23      LEU  78  -0.146   4.087   5.181
  590    H    ILE  79           HN       ILE  79   4.920   4.667   4.696
  591    HA   ILE  79           HA       ILE  79   4.372   1.954   5.480
  592    HB   ILE  79           HB       ILE  79   6.209   1.385   3.996
  593   HG12  ILE  79          HG12      ILE  79   6.738   4.343   4.042
  594   HG13  ILE  79          HG11      ILE  79   7.854   3.034   4.421
  595   HG21  ILE  79          HG21      ILE  79   4.460   3.572   2.903
  596   HG22  ILE  79          HG22      ILE  79   4.082   1.847   2.959
  597   HG23  ILE  79          HG23      ILE  79   5.399   2.433   1.939
  598   HD11  ILE  79          HD11      ILE  79   6.794   3.871   1.753
  599   HD12  ILE  79          HD12      ILE  79   7.627   2.334   2.014
  600   HD13  ILE  79          HD13      ILE  79   8.466   3.855   2.312
  601    H    PHE  80           HN       PHE  80   5.787   4.199   7.269
  602    HA   PHE  80           HA       PHE  80   7.629   2.249   8.468
  603    HB2  PHE  80           HB2      PHE  80   7.764   5.270   8.538
  604    HB3  PHE  80           HB1      PHE  80   8.853   4.196   9.410
  605    HD1  PHE  80           HD1      PHE  80   8.999   6.306   6.885
  606    HD2  PHE  80           HD2      PHE  80   9.434   2.115   7.487
  607    HE1  PHE  80           HE1      PHE  80  10.402   6.165   4.872
  608    HE2  PHE  80           HE2      PHE  80  10.837   1.955   5.473
  609    HZ   PHE  80           HZ       PHE  80  11.329   3.992   4.164
  610    H    ASP  81           HN       ASP  81   4.827   4.038   8.689
  611    HA   ASP  81           HA       ASP  81   4.453   3.758  11.533
  612    HB2  ASP  81           HB2      ASP  81   3.282   5.359   9.634
  613    HB3  ASP  81           HB1      ASP  81   2.116   4.059   9.788
  614    H    HIS  82           HN       HIS  82   3.592   2.318   8.522
  615    HA   HIS  82           HA       HIS  82   2.620  -0.102   9.856
  616    HB2  HIS  82           HB2      HIS  82   1.808   0.881   7.112
  617    HB3  HIS  82           HB1      HIS  82   1.046  -0.376   8.073
  618    HD1  HIS  82           HD1      HIS  82  -0.357   0.429  10.170
  619    HD2  HIS  82           HD2      HIS  82   1.013   3.459   7.672
  620    HE1  HIS  82           HE1      HIS  82  -1.541   2.510  10.926
  621    HE2  HIS  82           HE2      HIS  82  -0.493   4.361   9.576
  622    HA   PRO  83           HA       PRO  83   6.615  -1.044   8.453
  623    HB2  PRO  83           HB2      PRO  83   6.569  -3.750   8.975
  624    HB3  PRO  83           HB1      PRO  83   6.828  -2.500  10.195
  625    HG2  PRO  83           HG2      PRO  83   4.298  -3.946   9.468
  626    HG3  PRO  83           HG1      PRO  83   4.939  -3.547  11.079
  627    HD2  PRO  83           HD2      PRO  83   2.992  -2.084   9.971
  628    HD3  PRO  83           HD1      PRO  83   4.277  -1.321  10.919
  629    H    THR  84           HN       THR  84   4.059  -3.230   7.300
  630    HA   THR  84           HA       THR  84   5.766  -3.815   4.997
  631    HB   THR  84           HB       THR  84   4.752  -6.023   4.925
  632    HG1  THR  84           HG1      THR  84   3.577  -6.312   7.224
  633   HG21  THR  84          HG21      THR  84   5.741  -6.966   6.955
  634   HG22  THR  84          HG22      THR  84   5.775  -5.364   7.694
  635   HG23  THR  84          HG23      THR  84   6.783  -5.706   6.289
  636    HA   PRO  85           HA       PRO  85   2.480  -2.615   2.257
  637    HB2  PRO  85           HB2      PRO  85   2.819  -5.250   0.940
  638    HB3  PRO  85           HB1      PRO  85   2.928  -3.635   0.239
  639    HG2  PRO  85           HG2      PRO  85   5.107  -5.140   0.657
  640    HG3  PRO  85           HG1      PRO  85   5.135  -3.376   0.836
  641    HD2  PRO  85           HD2      PRO  85   5.091  -5.487   2.929
  642    HD3  PRO  85           HD1      PRO  85   5.879  -3.903   2.944
  643    H    HIS  86           HN       HIS  86   2.612  -5.487   4.022
  644    HA   HIS  86           HA       HIS  86  -0.116  -6.312   3.632
  645    HB2  HIS  86           HB2      HIS  86   1.198  -8.078   4.337
  646    HB3  HIS  86           HB1      HIS  86   2.163  -7.077   5.398
  647    HD1  HIS  86           HD1      HIS  86  -0.587  -9.473   5.422
  648    HD2  HIS  86           HD2      HIS  86   0.800  -6.416   7.881
  649    HE1  HIS  86           HE1      HIS  86  -1.625  -9.900   7.670
  650    HE2  HIS  86           HE2      HIS  86  -0.919  -7.939   9.084
  651    H    ALA  87           HN       ALA  87   1.728  -4.575   6.071
  652    HA   ALA  87           HA       ALA  87  -0.491  -4.062   7.803
  653    HB1  ALA  87           HB1      ALA  87   2.199  -2.701   7.683
  654    HB2  ALA  87           HB2      ALA  87   1.846  -4.171   8.597
  655    HB3  ALA  87           HB3      ALA  87   1.061  -2.653   9.031
  656    H    VAL  88           HN       VAL  88   0.825  -2.658   5.046
  657    HA   VAL  88           HA       VAL  88  -0.309  -0.029   5.492
  658    HB   VAL  88           HB       VAL  88   1.196  -1.256   3.208
  659   HG11  VAL  88          HG11      VAL  88   1.268   1.012   2.238
  660   HG12  VAL  88          HG12      VAL  88   0.101   1.527   3.457
  661   HG13  VAL  88          HG13      VAL  88  -0.347   0.305   2.267
  662   HG21  VAL  88          HG21      VAL  88   1.944   0.871   5.203
  663   HG22  VAL  88          HG22      VAL  88   2.943   0.343   3.848
  664   HG23  VAL  88          HG23      VAL  88   2.554  -0.788   5.146
  665    H    ALA  89           HN       ALA  89  -0.794  -2.790   3.346
  666    HA   ALA  89           HA       ALA  89  -2.932  -1.711   1.906
  667    HB1  ALA  89           HB1      ALA  89  -3.538  -4.040   1.390
  668    HB2  ALA  89           HB2      ALA  89  -2.354  -4.589   2.582
  669    HB3  ALA  89           HB3      ALA  89  -1.826  -3.701   1.152
  670    H    GLU  90           HN       GLU  90  -2.892  -3.525   5.007
  671    HA   GLU  90           HA       GLU  90  -5.748  -3.495   5.206
  672    HB2  GLU  90           HB2      GLU  90  -5.292  -4.071   7.618
  673    HB3  GLU  90           HB1      GLU  90  -4.590  -5.173   6.439
  674    HG2  GLU  90           HG2      GLU  90  -2.440  -4.084   6.687
  675    HG3  GLU  90           HG1      GLU  90  -3.127  -2.964   7.858
  676    H    HIS  91           HN       HIS  91  -3.164  -1.351   6.036
  677    HA   HIS  91           HA       HIS  91  -4.614   0.459   7.607
  678    HB2  HIS  91           HB2      HIS  91  -2.251   0.619   7.668
  679    HB3  HIS  91           HB1      HIS  91  -2.139   0.755   5.911
  680    HD1  HIS  91           HD1      HIS  91  -3.404   2.745   8.897
  681    HD2  HIS  91           HD2      HIS  91  -2.174   3.267   4.963
  682    HE1  HIS  91           HE1      HIS  91  -3.353   5.232   8.536
  683    HE2  HIS  91           HE2      HIS  91  -2.728   5.532   6.118
  684    H    LEU  92           HN       LEU  92  -4.463  -0.135   4.208
  685    HA   LEU  92           HA       LEU  92  -5.627   2.359   3.438
  686    HB2  LEU  92           HB2      LEU  92  -4.806  -0.149   2.077
  687    HB3  LEU  92           HB1      LEU  92  -6.053   0.813   1.293
  688    HG   LEU  92           HG       LEU  92  -4.624   2.615   0.920
  689   HD11  LEU  92          HD11      LEU  92  -3.756   2.850   3.199
  690   HD12  LEU  92          HD12      LEU  92  -2.463   2.941   2.004
  691   HD13  LEU  92          HD13      LEU  92  -2.698   1.462   2.937
  692   HD21  LEU  92          HD21      LEU  92  -2.617   1.702  -0.097
  693   HD22  LEU  92          HD22      LEU  92  -4.022   0.695  -0.448
  694   HD23  LEU  92          HD23      LEU  92  -2.857   0.190   0.777
  695    H    LEU  93           HN       LEU  93  -6.792  -0.371   4.902
  696    HA   LEU  93           HA       LEU  93  -9.515  -0.231   3.909
  697    HB2  LEU  93           HB2      LEU  93  -8.225  -1.716   6.169
  698    HB3  LEU  93           HB1      LEU  93  -9.959  -1.701   5.955
  699    HG   LEU  93           HG       LEU  93  -9.852  -3.016   4.021
  700   HD11  LEU  93          HD11      LEU  93  -6.898  -2.411   3.924
  701   HD12  LEU  93          HD12      LEU  93  -8.134  -1.820   2.809
  702   HD13  LEU  93          HD13      LEU  93  -7.741  -3.540   2.857
  703   HD21  LEU  93          HD21      LEU  93  -8.566  -4.946   4.699
  704   HD22  LEU  93          HD22      LEU  93  -9.318  -4.197   6.109
  705   HD23  LEU  93          HD23      LEU  93  -7.599  -3.947   5.787
  706    H    GLU  94           HN       GLU  94  -7.573   0.913   6.477
  707    HA   GLU  94           HA       GLU  94  -9.458   1.880   8.288
  708    HB2  GLU  94           HB2      GLU  94  -6.698   2.803   7.518
  709    HB3  GLU  94           HB1      GLU  94  -7.581   3.490   8.884
  710    HG2  GLU  94           HG2      GLU  94  -6.703   0.627   8.547
  711    HG3  GLU  94           HG1      GLU  94  -6.001   1.824   9.636
  712    H    GLN  95           HN       GLN  95  -8.349   3.059   5.237
  713    HA   GLN  95           HA       GLN  95  -9.357   5.734   5.548
  714    HB2  GLN  95           HB2      GLN  95  -8.557   4.399   2.981
  715    HB3  GLN  95           HB1      GLN  95  -8.359   6.082   3.449
  716    HG2  GLN  95           HG2      GLN  95  -6.886   3.810   4.743
  717    HG3  GLN  95           HG1      GLN  95  -6.255   4.737   3.389
  718   HE21  GLN  95          HE21      GLN  95  -5.398   4.388   6.197
  719   HE22  GLN  95          HE22      GLN  95  -5.216   5.994   6.810
  720    H    ILE  96           HN       ILE  96 -10.580   2.706   4.666
  721    HA   ILE  96           HA       ILE  96 -12.371   3.530   2.605
  722    HB   ILE  96           HB       ILE  96 -12.107   0.935   4.089
  723   HG12  ILE  96          HG12      ILE  96 -10.063   1.769   3.029
  724   HG13  ILE  96          HG11      ILE  96 -10.643   0.300   2.283
  725   HG21  ILE  96          HG21      ILE  96 -13.221  -0.125   2.286
  726   HG22  ILE  96          HG22      ILE  96 -13.260   1.372   1.359
  727   HG23  ILE  96          HG23      ILE  96 -14.238   1.214   2.819
  728   HD11  ILE  96          HD11      ILE  96 -11.483   1.522   0.403
  729   HD12  ILE  96          HD12      ILE  96  -9.811   2.020   0.688
  730   HD13  ILE  96          HD13      ILE  96 -11.148   3.058   1.200
  731    HA   PRO  97           HA       PRO  97 -15.748   4.784   5.023
  732    HB2  PRO  97           HB2      PRO  97 -17.616   4.846   3.126
  733    HB3  PRO  97           HB1      PRO  97 -16.200   5.905   3.055
  734    HG2  PRO  97           HG2      PRO  97 -16.634   3.270   1.696
  735    HG3  PRO  97           HG1      PRO  97 -16.095   4.796   0.986
  736    HD2  PRO  97           HD2      PRO  97 -14.372   2.863   1.694
  737    HD3  PRO  97           HD1      PRO  97 -13.973   4.573   1.834
  738    H    GLY  98           HN       GLY  98 -15.853   2.761   6.358
  739    HA2  GLY  98           HA2      GLY  98 -17.420   1.459   7.465
  740    HA3  GLY  98           HA1      GLY  98 -18.549   1.766   6.159
  741    H    ILE  99           HN       ILE  99 -17.589   0.703   3.999
  742    HA   ILE  99           HA       ILE  99 -17.918  -2.044   4.175
  743    HB   ILE  99           HB       ILE  99 -16.492  -1.938   1.923
  744   HG12  ILE  99          HG12      ILE  99 -17.553   0.839   1.876
  745   HG13  ILE  99          HG11      ILE  99 -16.045   0.568   2.737
  746   HG21  ILE  99          HG21      ILE  99 -18.563  -1.368   0.739
  747   HG22  ILE  99          HG22      ILE  99 -19.261  -0.791   2.252
  748   HG23  ILE  99          HG23      ILE  99 -18.852  -2.495   2.064
  749   HD11  ILE  99          HD11      ILE  99 -15.630   1.277   0.474
  750   HD12  ILE  99          HD12      ILE  99 -16.579  -0.084  -0.148
  751   HD13  ILE  99          HD13      ILE  99 -15.067  -0.382   0.722
  752    H    GLY 100           HN       GLY 100 -15.024  -0.140   4.531
  753    HA2  GLY 100           HA2      GLY 100 -13.449  -2.611   4.810
  754    HA3  GLY 100           HA1      GLY 100 -12.788  -1.061   4.293
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  -4.110  12.254  -1.069
    2    H2   GLY   1           HT2      GLY   1  -5.277  11.066  -0.761
    3    H3   GLY   1           HT3      GLY   1  -5.330  12.539   0.067
    4    HA2  GLY   1           HA1      GLY   1  -5.774  13.719  -1.991
    5    HA3  GLY   1           HA2      GLY   1  -5.735  12.184  -2.846
    6    H    SER   2           HN       SER   2  -7.941  13.786  -3.020
    7    HA   SER   2           HA       SER   2  -9.900  12.459  -1.275
    8    HB2  SER   2           HB2      SER   2  -9.822  14.963  -1.184
    9    HB3  SER   2           HB1      SER   2 -10.276  14.996  -2.887
   10    HG   SER   2           HG       SER   2 -12.256  14.258  -2.401
   11    H    THR   3           HN       THR   3 -10.337  10.621  -2.364
   12    HA   THR   3           HA       THR   3 -11.850  10.851  -4.812
   13    HB   THR   3           HB       THR   3  -9.210   9.389  -4.741
   14    HG1  THR   3           HG1      THR   3  -9.928  11.765  -5.634
   15   HG21  THR   3          HG21      THR   3 -11.424   9.151  -6.778
   16   HG22  THR   3          HG22      THR   3 -10.816   7.873  -5.718
   17   HG23  THR   3          HG23      THR   3  -9.785   8.535  -6.993
   18    H    ALA   4           HN       ALA   4 -10.038   8.199  -3.329
   19    HA   ALA   4           HA       ALA   4 -10.602   6.225  -2.437
   20    HB1  ALA   4           HB1      ALA   4 -11.791   7.618  -0.792
   21    HB2  ALA   4           HB2      ALA   4 -12.570   6.055  -1.040
   22    HB3  ALA   4           HB3      ALA   4 -13.250   7.506  -1.778
   23    H    THR   5           HN       THR   5 -13.530   7.386  -4.117
   24    HA   THR   5           HA       THR   5 -14.834   5.090  -4.705
   25    HB   THR   5           HB       THR   5 -14.436   7.283  -6.734
   26    HG1  THR   5           HG1      THR   5 -15.780   7.224  -4.268
   27   HG21  THR   5          HG21      THR   5 -16.788   5.476  -6.162
   28   HG22  THR   5          HG22      THR   5 -15.694   5.334  -7.536
   29   HG23  THR   5          HG23      THR   5 -16.735   6.749  -7.380
   30    H    LEU   6           HN       LEU   6 -11.940   6.172  -6.328
   31    HA   LEU   6           HA       LEU   6 -11.876   4.461  -8.501
   32    HB2  LEU   6           HB2      LEU   6 -10.255   6.148  -8.403
   33    HB3  LEU   6           HB1      LEU   6  -9.779   5.714  -6.773
   34    HG   LEU   6           HG       LEU   6  -8.670   3.702  -7.609
   35   HD11  LEU   6          HD11      LEU   6 -10.089   3.272  -9.549
   36   HD12  LEU   6          HD12      LEU   6  -8.387   3.343 -10.005
   37   HD13  LEU   6          HD13      LEU   6  -9.449   4.710 -10.345
   38   HD21  LEU   6          HD21      LEU   6  -7.451   5.821  -7.419
   39   HD22  LEU   6          HD22      LEU   6  -7.853   6.195  -9.095
   40   HD23  LEU   6          HD23      LEU   6  -6.823   4.813  -8.722
   41    H    LEU   7           HN       LEU   7 -10.321   3.933  -5.337
   42    HA   LEU   7           HA       LEU   7  -9.987   1.117  -5.968
   43    HB2  LEU   7           HB2      LEU   7  -8.625   2.981  -4.367
   44    HB3  LEU   7           HB1      LEU   7  -9.321   1.814  -3.260
   45    HG   LEU   7           HG       LEU   7  -7.008   1.238  -3.962
   46   HD11  LEU   7          HD11      LEU   7  -7.491  -1.100  -4.272
   47   HD12  LEU   7          HD12      LEU   7  -9.124  -0.721  -4.834
   48   HD13  LEU   7          HD13      LEU   7  -8.673  -0.401  -3.161
   49   HD21  LEU   7          HD21      LEU   7  -7.297   2.058  -6.319
   50   HD22  LEU   7          HD22      LEU   7  -8.260   0.614  -6.631
   51   HD23  LEU   7          HD23      LEU   7  -6.565   0.460  -6.172
   52    H    THR   8           HN       THR   8 -11.903   3.181  -3.980
   53    HA   THR   8           HA       THR   8 -12.922   1.373  -2.119
   54    HB   THR   8           HB       THR   8 -13.974   3.898  -3.323
   55    HG1  THR   8           HG1      THR   8 -12.230   3.445  -1.518
   56   HG21  THR   8          HG21      THR   8 -15.311   2.323  -1.121
   57   HG22  THR   8          HG22      THR   8 -15.953   2.562  -2.744
   58   HG23  THR   8          HG23      THR   8 -15.767   3.939  -1.658
   59    H    SER   9           HN       SER   9 -13.871   2.009  -5.432
   60    HA   SER   9           HA       SER   9 -16.224   0.437  -5.432
   61    HB2  SER   9           HB2      SER   9 -14.372   1.414  -7.600
   62    HB3  SER   9           HB1      SER   9 -15.841   0.492  -7.954
   63    HG   SER   9           HG       SER   9 -15.509   3.107  -7.180
   64    H    LYS  10           HN       LYS  10 -12.857  -0.319  -5.596
   65    HA   LYS  10           HA       LYS  10 -13.121  -3.028  -6.485
   66    HB2  LYS  10           HB2      LYS  10 -10.988  -1.505  -6.402
   67    HB3  LYS  10           HB1      LYS  10 -10.906  -1.988  -4.713
   68    HG2  LYS  10           HG2      LYS  10 -10.132  -3.447  -7.126
   69    HG3  LYS  10           HG1      LYS  10  -9.583  -3.619  -5.469
   70    HD2  LYS  10           HD2      LYS  10 -10.592  -5.624  -5.705
   71    HD3  LYS  10           HD1      LYS  10 -11.996  -4.681  -5.206
   72    HE2  LYS  10           HE2      LYS  10 -12.725  -5.928  -7.035
   73    HE3  LYS  10           HE1      LYS  10 -12.428  -4.318  -7.684
   74    HZ1  LYS  10           HZ1      LYS  10 -11.547  -6.034  -9.139
   75    HZ2  LYS  10           HZ2      LYS  10 -10.569  -6.625  -7.894
   76    HZ3  LYS  10           HZ3      LYS  10 -10.294  -5.079  -8.522
   77    H    LEU  11           HN       LEU  11 -12.486  -1.523  -3.334
   78    HA   LEU  11           HA       LEU  11 -12.517  -3.894  -1.850
   79    HB2  LEU  11           HB2      LEU  11 -13.156  -1.108  -0.907
   80    HB3  LEU  11           HB1      LEU  11 -12.862  -2.472   0.143
   81    HG   LEU  11           HG       LEU  11 -10.792  -1.532   0.199
   82   HD11  LEU  11          HD11      LEU  11  -9.287  -2.721  -1.241
   83   HD12  LEU  11          HD12      LEU  11 -10.588  -3.037  -2.395
   84   HD13  LEU  11          HD13      LEU  11 -10.622  -3.787  -0.795
   85   HD21  LEU  11          HD21      LEU  11 -11.528   0.296  -1.394
   86   HD22  LEU  11          HD22      LEU  11 -10.907  -0.730  -2.695
   87   HD23  LEU  11          HD23      LEU  11  -9.821  -0.143  -1.429
   88    H    ALA  12           HN       ALA  12 -15.097  -1.883  -2.941
   89    HA   ALA  12           HA       ALA  12 -17.219  -2.691  -1.366
   90    HB1  ALA  12           HB1      ALA  12 -17.191  -2.219  -4.348
   91    HB2  ALA  12           HB2      ALA  12 -17.378  -0.980  -3.104
   92    HB3  ALA  12           HB3      ALA  12 -18.625  -2.210  -3.318
   93    H    GLY  13           HN       GLY  13 -15.551  -4.392  -3.918
   94    HA2  GLY  13           HA2      GLY  13 -17.516  -6.528  -4.025
   95    HA3  GLY  13           HA1      GLY  13 -16.055  -6.387  -4.995
   96    H    LEU  14           HN       LEU  14 -14.966  -5.832  -1.987
   97    HA   LEU  14           HA       LEU  14 -14.317  -8.667  -1.588
   98    HB2  LEU  14           HB2      LEU  14 -12.820  -6.190  -0.869
   99    HB3  LEU  14           HB1      LEU  14 -12.372  -7.753  -0.294
  100    HG   LEU  14           HG       LEU  14 -10.971  -7.712  -2.018
  101   HD11  LEU  14          HD11      LEU  14 -13.492  -8.312  -3.538
  102   HD12  LEU  14          HD12      LEU  14 -12.539  -9.469  -2.602
  103   HD13  LEU  14          HD13      LEU  14 -11.848  -8.715  -4.043
  104   HD21  LEU  14          HD21      LEU  14 -11.266  -6.283  -3.978
  105   HD22  LEU  14          HD22      LEU  14 -11.387  -5.401  -2.455
  106   HD23  LEU  14          HD23      LEU  14 -12.846  -5.798  -3.363
  107    H    THR  15           HN       THR  15 -13.693  -9.200   0.593
  108    HA   THR  15           HA       THR  15 -15.245  -7.855   2.681
  109    HB   THR  15           HB       THR  15 -14.839  -9.823   4.019
  110    HG1  THR  15           HG1      THR  15 -13.405 -11.454   3.309
  111   HG21  THR  15          HG21      THR  15 -15.733 -11.628   2.577
  112   HG22  THR  15          HG22      THR  15 -15.402 -10.628   1.158
  113   HG23  THR  15          HG23      THR  15 -16.595 -10.105   2.351
  114    H    ALA  16           HN       ALA  16 -13.889  -7.550   4.788
  115    HA   ALA  16           HA       ALA  16 -11.823  -5.796   4.345
  116    HB1  ALA  16           HB1      ALA  16 -11.191  -6.096   6.679
  117    HB2  ALA  16           HB2      ALA  16 -12.112  -7.597   6.750
  118    HB3  ALA  16           HB3      ALA  16 -12.945  -6.064   6.506
  119    H    THR  17           HN       THR  17 -11.623  -9.294   4.560
  120    HA   THR  17           HA       THR  17  -8.780  -9.367   4.690
  121    HB   THR  17           HB       THR  17 -10.776 -11.535   4.032
  122    HG1  THR  17           HG1      THR  17 -10.069 -10.324   6.339
  123   HG21  THR  17          HG21      THR  17  -8.565 -12.065   3.168
  124   HG22  THR  17          HG22      THR  17  -8.958 -13.091   4.550
  125   HG23  THR  17          HG23      THR  17  -7.856 -11.728   4.746
  126    H    GLU  18           HN       GLU  18 -11.129  -9.749   1.996
  127    HA   GLU  18           HA       GLU  18  -9.039 -10.190   0.131
  128    HB2  GLU  18           HB2      GLU  18 -11.920  -9.432  -0.212
  129    HB3  GLU  18           HB1      GLU  18 -10.831  -9.848  -1.514
  130    HG2  GLU  18           HG2      GLU  18 -10.541 -12.069  -0.518
  131    HG3  GLU  18           HG1      GLU  18 -11.698 -11.628   0.733
  132    H    GLN  19           HN       GLN  19 -10.711  -7.424   1.414
  133    HA   GLN  19           HA       GLN  19  -9.869  -5.496  -0.452
  134    HB2  GLN  19           HB2      GLN  19 -10.449  -5.243   2.496
  135    HB3  GLN  19           HB1      GLN  19 -10.314  -3.895   1.379
  136    HG2  GLN  19           HG2      GLN  19 -12.220  -4.641   0.171
  137    HG3  GLN  19           HG1      GLN  19 -12.304  -6.110   1.121
  138   HE21  GLN  19          HE21      GLN  19 -14.323  -4.156   0.717
  139   HE22  GLN  19          HE22      GLN  19 -14.741  -3.548   2.285
  140    H    ARG  20           HN       ARG  20  -8.516  -6.588   2.620
  141    HA   ARG  20           HA       ARG  20  -6.193  -5.024   2.504
  142    HB2  ARG  20           HB2      ARG  20  -5.379  -6.358   4.259
  143    HB3  ARG  20           HB1      ARG  20  -7.115  -6.230   4.473
  144    HG2  ARG  20           HG2      ARG  20  -7.380  -8.355   3.339
  145    HG3  ARG  20           HG1      ARG  20  -5.620  -8.507   3.346
  146    HD2  ARG  20           HD2      ARG  20  -7.433  -8.346   5.735
  147    HD3  ARG  20           HD1      ARG  20  -6.501  -9.744   5.222
  148    HE   ARG  20           HE       ARG  20  -4.884  -7.442   5.812
  149   HH11  ARG  20          HH11      ARG  20  -6.446 -10.276   7.136
  150   HH12  ARG  20          HH12      ARG  20  -5.474 -10.301   8.573
  151   HH21  ARG  20          HH21      ARG  20  -3.599  -7.462   7.747
  152   HH22  ARG  20          HH22      ARG  20  -3.888  -8.712   8.921
  153    H    ALA  21           HN       ALA  21  -7.101  -8.018   1.098
  154    HA   ALA  21           HA       ALA  21  -4.528  -8.861   0.262
  155    HB1  ALA  21           HB1      ALA  21  -7.192  -9.630  -0.892
  156    HB2  ALA  21           HB2      ALA  21  -6.429 -10.390   0.505
  157    HB3  ALA  21           HB3      ALA  21  -5.671 -10.502  -1.083
  158    H    VAL  22           HN       VAL  22  -7.088  -7.091  -1.427
  159    HA   VAL  22           HA       VAL  22  -5.856  -7.245  -3.957
  160    HB   VAL  22           HB       VAL  22  -7.330  -5.296  -4.597
  161   HG11  VAL  22          HG11      VAL  22  -9.335  -6.582  -4.640
  162   HG12  VAL  22          HG12      VAL  22  -8.806  -7.549  -3.252
  163   HG13  VAL  22          HG13      VAL  22  -7.974  -7.701  -4.803
  164   HG21  VAL  22          HG21      VAL  22  -9.100  -4.662  -3.016
  165   HG22  VAL  22          HG22      VAL  22  -7.498  -4.208  -2.437
  166   HG23  VAL  22          HG23      VAL  22  -8.312  -5.622  -1.762
  167    H    THR  23           HN       THR  23  -5.654  -4.711  -1.448
  168    HA   THR  23           HA       THR  23  -3.667  -3.450  -3.153
  169    HB   THR  23           HB       THR  23  -5.093  -1.877  -2.274
  170    HG1  THR  23           HG1      THR  23  -2.596  -1.825  -0.966
  171   HG21  THR  23          HG21      THR  23  -4.372  -2.720   0.503
  172   HG22  THR  23          HG22      THR  23  -5.877  -3.160  -0.300
  173   HG23  THR  23          HG23      THR  23  -5.523  -1.465   0.051
  174    H    ARG  24           HN       ARG  24  -3.673  -5.724  -0.627
  175    HA   ARG  24           HA       ARG  24  -0.988  -5.316   0.209
  176    HB2  ARG  24           HB2      ARG  24  -2.360  -7.019   1.288
  177    HB3  ARG  24           HB1      ARG  24  -2.558  -7.868  -0.233
  178    HG2  ARG  24           HG2      ARG  24   0.068  -7.982  -0.121
  179    HG3  ARG  24           HG1      ARG  24  -0.233  -7.780   1.606
  180    HD2  ARG  24           HD2      ARG  24  -1.757  -9.708   1.543
  181    HD3  ARG  24           HD1      ARG  24  -1.404  -9.905  -0.175
  182    HE   ARG  24           HE       ARG  24   1.031  -9.964   1.124
  183   HH11  ARG  24          HH11      ARG  24  -1.916 -11.857   1.188
  184   HH12  ARG  24          HH12      ARG  24  -1.097 -13.338   1.576
  185   HH21  ARG  24          HH21      ARG  24   2.100 -11.901   1.631
  186   HH22  ARG  24          HH22      ARG  24   1.181 -13.366   1.824
  187    H    LYS  25           HN       LYS  25  -2.523  -6.086  -2.661
  188    HA   LYS  25           HA       LYS  25  -0.140  -6.984  -4.016
  189    HB2  LYS  25           HB2      LYS  25  -1.889  -8.260  -4.756
  190    HB3  LYS  25           HB1      LYS  25  -3.074  -7.015  -4.441
  191    HG2  LYS  25           HG2      LYS  25  -2.982  -7.474  -6.786
  192    HG3  LYS  25           HG1      LYS  25  -2.384  -5.850  -6.463
  193    HD2  LYS  25           HD2      LYS  25  -0.070  -6.713  -6.619
  194    HD3  LYS  25           HD1      LYS  25  -0.715  -8.308  -7.009
  195    HE2  LYS  25           HE2      LYS  25  -1.082  -5.785  -8.618
  196    HE3  LYS  25           HE1      LYS  25  -0.039  -7.144  -9.032
  197    HZ1  LYS  25           HZ1      LYS  25  -3.001  -7.204  -8.829
  198    HZ2  LYS  25           HZ2      LYS  25  -2.027  -8.546  -9.150
  199    HZ3  LYS  25           HZ3      LYS  25  -2.093  -7.269 -10.252
  200    H    LEU  26           HN       LEU  26  -2.426  -4.235  -3.818
  201    HA   LEU  26           HA       LEU  26  -1.261  -2.780  -5.949
  202    HB2  LEU  26           HB2      LEU  26  -3.543  -2.390  -5.321
  203    HB3  LEU  26           HB1      LEU  26  -3.064  -1.940  -3.702
  204    HG   LEU  26           HG       LEU  26  -3.758  -0.096  -5.338
  205   HD11  LEU  26          HD11      LEU  26  -2.707   0.092  -3.082
  206   HD12  LEU  26          HD12      LEU  26  -2.445   1.456  -4.174
  207   HD13  LEU  26          HD13      LEU  26  -1.160   0.275  -3.912
  208   HD21  LEU  26          HD21      LEU  26  -1.996   0.846  -6.695
  209   HD22  LEU  26          HD22      LEU  26  -2.373  -0.800  -7.213
  210   HD23  LEU  26          HD23      LEU  26  -0.930  -0.491  -6.249
  211    H    VAL  27           HN       VAL  27  -0.946  -2.326  -2.381
  212    HA   VAL  27           HA       VAL  27   0.871  -0.210  -2.537
  213    HB   VAL  27           HB       VAL  27  -0.059  -0.723  -0.368
  214   HG11  VAL  27          HG11      VAL  27   0.748  -2.750   0.877
  215   HG12  VAL  27          HG12      VAL  27   1.347  -3.358  -0.670
  216   HG13  VAL  27          HG13      VAL  27  -0.373  -3.062  -0.447
  217   HG21  VAL  27          HG21      VAL  27   1.946  -0.717   1.020
  218   HG22  VAL  27          HG22      VAL  27   2.173   0.312  -0.395
  219   HG23  VAL  27          HG23      VAL  27   2.908  -1.294  -0.343
  220    H    LEU  28           HN       LEU  28   1.255  -3.611  -2.662
  221    HA   LEU  28           HA       LEU  28   4.021  -3.892  -2.731
  222    HB2  LEU  28           HB2      LEU  28   1.898  -5.537  -2.738
  223    HB3  LEU  28           HB1      LEU  28   2.311  -5.608  -4.435
  224    HG   LEU  28           HG       LEU  28   4.437  -6.577  -3.960
  225   HD11  LEU  28          HD11      LEU  28   5.106  -7.000  -1.601
  226   HD12  LEU  28          HD12      LEU  28   3.787  -5.933  -1.101
  227   HD13  LEU  28          HD13      LEU  28   5.114  -5.303  -2.076
  228   HD21  LEU  28          HD21      LEU  28   2.664  -8.172  -3.954
  229   HD22  LEU  28          HD22      LEU  28   2.193  -7.729  -2.311
  230   HD23  LEU  28          HD23      LEU  28   3.723  -8.571  -2.597
  231    H    ASP  29           HN       ASP  29   1.666  -3.462  -5.284
  232    HA   ASP  29           HA       ASP  29   3.409  -3.666  -7.495
  233    HB2  ASP  29           HB2      ASP  29   0.932  -3.870  -7.606
  234    HB3  ASP  29           HB1      ASP  29   0.809  -2.157  -7.261
  235    H    GLN  30           HN       GLN  30   2.090  -0.949  -5.696
  236    HA   GLN  30           HA       GLN  30   3.273   1.123  -7.139
  237    HB2  GLN  30           HB2      GLN  30   2.644   1.002  -4.213
  238    HB3  GLN  30           HB1      GLN  30   2.825   2.458  -5.176
  239    HG2  GLN  30           HG2      GLN  30   0.647   0.392  -5.421
  240    HG3  GLN  30           HG1      GLN  30   0.509   2.038  -4.818
  241   HE21  GLN  30          HE21      GLN  30   0.884   0.037  -7.620
  242   HE22  GLN  30          HE22      GLN  30   0.509   1.253  -8.794
  243    H    ALA  31           HN       ALA  31   4.327  -0.608  -4.272
  244    HA   ALA  31           HA       ALA  31   6.719   0.816  -3.800
  245    HB1  ALA  31           HB1      ALA  31   7.321  -1.067  -2.401
  246    HB2  ALA  31           HB2      ALA  31   6.096  -2.074  -3.186
  247    HB3  ALA  31           HB3      ALA  31   5.606  -0.701  -2.185
  248    H    ALA  32           HN       ALA  32   5.814  -1.736  -5.894
  249    HA   ALA  32           HA       ALA  32   8.398  -2.594  -6.659
  250    HB1  ALA  32           HB1      ALA  32   5.577  -2.914  -7.647
  251    HB2  ALA  32           HB2      ALA  32   6.745  -4.143  -7.110
  252    HB3  ALA  32           HB3      ALA  32   6.920  -3.397  -8.698
  253    H    SER  33           HN       SER  33   6.017  -0.338  -7.960
  254    HA   SER  33           HA       SER  33   7.407   0.403 -10.283
  255    HB2  SER  33           HB2      SER  33   5.414   1.860  -8.545
  256    HB3  SER  33           HB1      SER  33   5.946   2.453 -10.124
  257    HG   SER  33           HG       SER  33   5.086   0.581 -11.058
  258    H    VAL  34           HN       VAL  34   7.515   1.555  -6.974
  259    HA   VAL  34           HA       VAL  34   9.176   3.789  -7.311
  260    HB   VAL  34           HB       VAL  34   9.185   1.955  -4.930
  261   HG11  VAL  34          HG11      VAL  34  10.851   3.676  -4.825
  262   HG12  VAL  34          HG12      VAL  34   9.552   4.091  -3.704
  263   HG13  VAL  34          HG13      VAL  34   9.670   4.909  -5.261
  264   HG21  VAL  34          HG21      VAL  34   6.909   2.386  -5.514
  265   HG22  VAL  34          HG22      VAL  34   7.218   4.124  -5.564
  266   HG23  VAL  34          HG23      VAL  34   7.343   3.243  -4.041
  267    H    LEU  35           HN       LEU  35   9.839   0.554  -6.142
  268    HA   LEU  35           HA       LEU  35  12.548   0.957  -5.733
  269    HB2  LEU  35           HB2      LEU  35  10.581  -1.138  -5.584
  270    HB3  LEU  35           HB1      LEU  35  12.183  -1.753  -5.957
  271    HG   LEU  35           HG       LEU  35  12.965  -1.301  -3.859
  272   HD11  LEU  35          HD11      LEU  35  12.792   1.110  -3.919
  273   HD12  LEU  35          HD12      LEU  35  12.104   0.529  -2.404
  274   HD13  LEU  35          HD13      LEU  35  11.041   1.027  -3.725
  275   HD21  LEU  35          HD21      LEU  35   9.998  -1.540  -3.711
  276   HD22  LEU  35          HD22      LEU  35  10.974  -1.428  -2.242
  277   HD23  LEU  35          HD23      LEU  35  11.236  -2.755  -3.373
  278    H    GLY  36           HN       GLY  36  10.851  -0.226  -8.572
  279    HA2  GLY  36           HA2      GLY  36  12.325   0.237 -10.618
  280    HA3  GLY  36           HA1      GLY  36  13.470  -0.794  -9.774
  281    H    TYR  37           HN       TYR  37  10.279  -1.714  -9.315
  282    HA   TYR  37           HA       TYR  37  10.902  -4.179 -10.763
  283    HB2  TYR  37           HB2      TYR  37   8.764  -3.692  -8.694
  284    HB3  TYR  37           HB1      TYR  37   9.380  -5.242  -9.238
  285    HD1  TYR  37           HD1      TYR  37   9.141  -4.289  -6.407
  286    HD2  TYR  37           HD2      TYR  37  12.366  -4.103  -9.155
  287    HE1  TYR  37           HE1      TYR  37  10.710  -4.297  -4.545
  288    HE2  TYR  37           HE2      TYR  37  13.967  -4.085  -7.301
  289    HH   TYR  37           HH       TYR  37  14.002  -3.525  -4.890
  290    H    ALA  38           HN       ALA  38   8.947  -5.368 -11.605
  291    HA   ALA  38           HA       ALA  38   6.991  -3.503 -12.772
  292    HB1  ALA  38           HB1      ALA  38   7.194  -4.576 -14.927
  293    HB2  ALA  38           HB2      ALA  38   8.381  -5.710 -14.283
  294    HB3  ALA  38           HB3      ALA  38   8.776  -3.994 -14.409
  295    H    SER  39           HN       SER  39   7.528  -6.276 -11.008
  296    HA   SER  39           HA       SER  39   4.758  -7.055 -11.222
  297    HB2  SER  39           HB2      SER  39   5.837  -8.310 -13.077
  298    HB3  SER  39           HB1      SER  39   6.943  -9.038 -11.916
  299    HG   SER  39           HG       SER  39   5.138  -9.993 -10.898
  300    H    THR  40           HN       THR  40   6.534  -5.937  -9.264
  301    HA   THR  40           HA       THR  40   7.201  -6.092  -7.108
  302    HB   THR  40           HB       THR  40   5.704  -7.303  -5.572
  303    HG1  THR  40           HG1      THR  40   5.171  -8.775  -7.762
  304   HG21  THR  40          HG21      THR  40   3.591  -6.143  -6.274
  305   HG22  THR  40          HG22      THR  40   4.407  -5.720  -7.783
  306   HG23  THR  40          HG23      THR  40   5.025  -5.115  -6.243
  307    H    GLU  41           HN       GLU  41   8.634  -7.686  -8.889
  308    HA   GLU  41           HA       GLU  41   8.849 -10.381  -8.203
  309    HB2  GLU  41           HB2      GLU  41  11.083 -10.210  -9.410
  310    HB3  GLU  41           HB1      GLU  41   9.646  -9.749 -10.307
  311    HG2  GLU  41           HG2      GLU  41  11.114  -7.602  -8.899
  312    HG3  GLU  41           HG1      GLU  41  11.858  -8.304 -10.334
  313    H    SER  42           HN       SER  42  10.524  -7.585  -6.842
  314    HA   SER  42           HA       SER  42  12.045  -9.460  -5.167
  315    HB2  SER  42           HB2      SER  42  12.824  -6.612  -5.796
  316    HB3  SER  42           HB1      SER  42  13.821  -7.853  -5.036
  317    HG   SER  42           HG       SER  42  13.332  -9.020  -7.160
  318    H    LEU  43           HN       LEU  43   9.375  -8.507  -4.610
  319    HA   LEU  43           HA       LEU  43   9.882  -6.875  -2.229
  320    HB2  LEU  43           HB2      LEU  43   7.429  -7.337  -3.878
  321    HB3  LEU  43           HB1      LEU  43   7.401  -6.498  -2.336
  322    HG   LEU  43           HG       LEU  43   9.070  -5.623  -4.680
  323   HD11  LEU  43          HD11      LEU  43   6.393  -4.639  -3.748
  324   HD12  LEU  43          HD12      LEU  43   6.719  -5.534  -5.231
  325   HD13  LEU  43          HD13      LEU  43   7.381  -3.913  -5.016
  326   HD21  LEU  43          HD21      LEU  43   9.900  -4.869  -2.547
  327   HD22  LEU  43          HD22      LEU  43   8.290  -4.311  -2.089
  328   HD23  LEU  43          HD23      LEU  43   9.156  -3.520  -3.406
  329    H    ASP  44           HN       ASP  44   8.437  -7.228  -0.422
  330    HA   ASP  44           HA       ASP  44   7.401  -9.941  -0.091
  331    HB2  ASP  44           HB2      ASP  44   9.825  -9.486   0.952
  332    HB3  ASP  44           HB1      ASP  44   8.868  -8.702   2.200
  333    H    THR  45           HN       THR  45   5.571  -9.968   1.236
  334    HA   THR  45           HA       THR  45   4.582  -7.332   2.020
  335    HB   THR  45           HB       THR  45   2.446  -8.660   2.505
  336    HG1  THR  45           HG1      THR  45   3.659 -10.560   0.763
  337   HG21  THR  45          HG21      THR  45   1.855  -8.728   0.085
  338   HG22  THR  45          HG22      THR  45   3.545  -8.371  -0.279
  339   HG23  THR  45          HG23      THR  45   2.571  -7.211   0.623
  340    H    HIS  46           HN       HIS  46   6.229  -9.901   3.315
  341    HA   HIS  46           HA       HIS  46   5.090  -9.521   5.997
  342    HB2  HIS  46           HB2      HIS  46   6.872 -11.683   4.864
  343    HB3  HIS  46           HB1      HIS  46   6.456 -11.558   6.564
  344    HD1  HIS  46           HD1      HIS  46   4.716 -13.175   7.146
  345    HD2  HIS  46           HD2      HIS  46   4.198 -11.670   3.312
  346    HE1  HIS  46           HE1      HIS  46   2.668 -14.313   6.249
  347    HE2  HIS  46           HE2      HIS  46   2.261 -13.235   4.015
  348    H    GLU  47           HN       GLU  47   7.489  -8.333   4.084
  349    HA   GLU  47           HA       GLU  47   9.274  -7.876   6.372
  350    HB2  GLU  47           HB2      GLU  47  11.086  -8.307   5.117
  351    HB3  GLU  47           HB1      GLU  47   9.969  -9.106   4.025
  352    HG2  GLU  47           HG2      GLU  47   9.765  -6.929   2.797
  353    HG3  GLU  47           HG1      GLU  47  11.077  -6.322   3.812
  354    H    SER  48           HN       SER  48  10.191  -5.737   6.495
  355    HA   SER  48           HA       SER  48   8.043  -3.880   5.902
  356    HB2  SER  48           HB2      SER  48  10.533  -3.270   7.484
  357    HB3  SER  48           HB1      SER  48   8.946  -2.519   7.590
  358    HG   SER  48           HG       SER  48   9.054  -5.252   8.074
  359    H    PHE  49           HN       PHE  49   8.292  -1.920   4.900
  360    HA   PHE  49           HA       PHE  49   9.678  -1.830   2.522
  361    HB2  PHE  49           HB2      PHE  49   8.714   0.504   4.159
  362    HB3  PHE  49           HB1      PHE  49   9.170   0.579   2.462
  363    HD1  PHE  49           HD1      PHE  49   7.719  -0.271   0.757
  364    HD2  PHE  49           HD2      PHE  49   6.715  -0.639   4.865
  365    HE1  PHE  49           HE1      PHE  49   5.408  -0.842   0.136
  366    HE2  PHE  49           HE2      PHE  49   4.411  -1.206   4.257
  367    HZ   PHE  49           HZ       PHE  49   3.753  -1.307   1.899
  368    H    LYS  50           HN       LYS  50  10.714  -0.733   5.650
  369    HA   LYS  50           HA       LYS  50  13.042   0.558   5.218
  370    HB2  LYS  50           HB2      LYS  50  12.128  -0.252   7.401
  371    HB3  LYS  50           HB1      LYS  50  12.735  -1.844   7.018
  372    HG2  LYS  50           HG2      LYS  50  14.664   0.391   6.961
  373    HG3  LYS  50           HG1      LYS  50  14.088  -0.167   8.529
  374    HD2  LYS  50           HD2      LYS  50  15.322  -1.930   6.414
  375    HD3  LYS  50           HD1      LYS  50  16.205  -1.242   7.774
  376    HE2  LYS  50           HE2      LYS  50  13.827  -3.078   8.019
  377    HE3  LYS  50           HE1      LYS  50  15.506  -3.592   8.128
  378    HZ1  LYS  50           HZ1      LYS  50  15.792  -2.198  10.060
  379    HZ2  LYS  50           HZ2      LYS  50  14.504  -3.264  10.308
  380    HZ3  LYS  50           HZ3      LYS  50  14.200  -1.641   9.945
  381    H    ASP  51           HN       ASP  51  12.649  -2.934   5.173
  382    HA   ASP  51           HA       ASP  51  15.277  -3.462   4.276
  383    HB2  ASP  51           HB2      ASP  51  13.813  -5.090   5.503
  384    HB3  ASP  51           HB1      ASP  51  12.894  -5.290   4.014
  385    H    LEU  52           HN       LEU  52  12.284  -2.800   2.685
  386    HA   LEU  52           HA       LEU  52  12.930  -3.759   0.096
  387    HB2  LEU  52           HB2      LEU  52  10.889  -1.861   1.193
  388    HB3  LEU  52           HB1      LEU  52  11.065  -2.058  -0.525
  389    HG   LEU  52           HG       LEU  52  10.494  -4.441  -0.329
  390   HD11  LEU  52          HD11      LEU  52  11.317  -4.939   1.853
  391   HD12  LEU  52          HD12      LEU  52   9.578  -5.244   1.823
  392   HD13  LEU  52          HD13      LEU  52  10.206  -3.782   2.583
  393   HD21  LEU  52          HD21      LEU  52   8.547  -2.571   0.995
  394   HD22  LEU  52          HD22      LEU  52   8.154  -4.184   0.397
  395   HD23  LEU  52          HD23      LEU  52   8.675  -2.922  -0.730
  396    H    GLY  53           HN       GLY  53  13.805  -1.030   1.912
  397    HA2  GLY  53           HA2      GLY  53  15.727   0.184   1.275
  398    HA3  GLY  53           HA1      GLY  53  15.289  -0.033  -0.405
  399    H    PHE  54           HN       PHE  54  12.645   0.843   1.609
  400    HA   PHE  54           HA       PHE  54  12.527   3.391   0.336
  401    HB2  PHE  54           HB2      PHE  54  10.776   2.087   2.424
  402    HB3  PHE  54           HB1      PHE  54  10.475   3.690   1.760
  403    HD1  PHE  54           HD1      PHE  54   9.698   3.988  -0.479
  404    HD2  PHE  54           HD2      PHE  54  10.606   0.123   1.024
  405    HE1  PHE  54           HE1      PHE  54   8.509   2.987  -2.370
  406    HE2  PHE  54           HE2      PHE  54   9.430  -0.901  -0.859
  407    HZ   PHE  54           HZ       PHE  54   8.512   0.565  -2.685
  408    H    ASP  55           HN       ASP  55  12.236   5.407   1.448
  409    HA   ASP  55           HA       ASP  55  13.543   5.846   3.973
  410    HB2  ASP  55           HB2      ASP  55  15.386   5.445   2.165
  411    HB3  ASP  55           HB1      ASP  55  14.901   7.018   1.542
  412    H    SER  56           HN       SER  56  14.167   8.572   3.581
  413    HA   SER  56           HA       SER  56  11.526   9.712   3.357
  414    HB2  SER  56           HB2      SER  56  14.194  11.101   3.721
  415    HB3  SER  56           HB1      SER  56  12.601  11.798   4.019
  416    HG   SER  56           HG       SER  56  12.557   9.682   5.454
  417    H    LEU  57           HN       LEU  57  12.290   8.530   1.012
  418    HA   LEU  57           HA       LEU  57  12.246  10.705  -0.911
  419    HB2  LEU  57           HB2      LEU  57  14.013   8.290  -1.122
  420    HB3  LEU  57           HB1      LEU  57  13.922   9.603  -2.277
  421    HG   LEU  57           HG       LEU  57  14.864   9.931   0.561
  422   HD11  LEU  57          HD11      LEU  57  16.488   9.495  -1.943
  423   HD12  LEU  57          HD12      LEU  57  16.337   8.383  -0.582
  424   HD13  LEU  57          HD13      LEU  57  17.139   9.938  -0.366
  425   HD21  LEU  57          HD21      LEU  57  14.077  11.970  -0.490
  426   HD22  LEU  57          HD22      LEU  57  15.117  11.680  -1.886
  427   HD23  LEU  57          HD23      LEU  57  15.831  12.016  -0.307
  428    H    THR  58           HN       THR  58  12.625   7.196  -0.942
  429    HA   THR  58           HA       THR  58  10.847   6.806  -3.104
  430    HB   THR  58           HB       THR  58  11.101   4.336  -2.280
  431    HG1  THR  58           HG1      THR  58  13.431   4.738  -1.108
  432   HG21  THR  58          HG21      THR  58  13.278   4.179  -3.350
  433   HG22  THR  58          HG22      THR  58  13.515   5.917  -3.164
  434   HG23  THR  58          HG23      THR  58  12.248   5.309  -4.229
  435    H    ALA  59           HN       ALA  59  10.555   6.319   0.388
  436    HA   ALA  59           HA       ALA  59   8.046   5.154   0.467
  437    HB1  ALA  59           HB1      ALA  59   7.887   5.982   2.737
  438    HB2  ALA  59           HB2      ALA  59   9.125   7.198   2.417
  439    HB3  ALA  59           HB3      ALA  59   9.553   5.489   2.428
  440    H    LEU  60           HN       LEU  60   9.049   8.442   0.000
  441    HA   LEU  60           HA       LEU  60   6.555   9.684   0.396
  442    HB2  LEU  60           HB2      LEU  60   9.056  10.503  -1.058
  443    HB3  LEU  60           HB1      LEU  60   7.655  11.552  -0.938
  444    HG   LEU  60           HG       LEU  60   9.381  12.118   0.729
  445   HD11  LEU  60          HD11      LEU  60   7.033  12.574   1.210
  446   HD12  LEU  60          HD12      LEU  60   7.943  12.189   2.671
  447   HD13  LEU  60          HD13      LEU  60   6.883  10.981   1.950
  448   HD21  LEU  60          HD21      LEU  60  10.320   9.910   1.118
  449   HD22  LEU  60          HD22      LEU  60   8.802   9.384   1.848
  450   HD23  LEU  60          HD23      LEU  60   9.771  10.633   2.632
  451    H    GLU  61           HN       GLU  61   8.243   8.662  -2.581
  452    HA   GLU  61           HA       GLU  61   6.024   9.410  -4.232
  453    HB2  GLU  61           HB2      GLU  61   7.243   7.902  -5.941
  454    HB3  GLU  61           HB1      GLU  61   8.042   9.383  -5.414
  455    HG2  GLU  61           HG2      GLU  61   9.374   8.070  -3.828
  456    HG3  GLU  61           HG1      GLU  61   8.587   6.605  -4.404
  457    H    LEU  62           HN       LEU  62   6.994   6.476  -2.573
  458    HA   LEU  62           HA       LEU  62   5.059   4.760  -3.741
  459    HB2  LEU  62           HB2      LEU  62   6.824   3.821  -2.407
  460    HB3  LEU  62           HB1      LEU  62   6.314   4.744  -1.009
  461    HG   LEU  62           HG       LEU  62   4.209   3.495  -0.932
  462   HD11  LEU  62          HD11      LEU  62   5.375   2.005  -3.260
  463   HD12  LEU  62          HD12      LEU  62   3.924   3.005  -3.255
  464   HD13  LEU  62          HD13      LEU  62   3.962   1.496  -2.340
  465   HD21  LEU  62          HD21      LEU  62   6.583   1.668  -1.071
  466   HD22  LEU  62          HD22      LEU  62   5.112   1.447  -0.120
  467   HD23  LEU  62          HD23      LEU  62   6.233   2.754   0.271
  468    H    ARG  63           HN       ARG  63   5.058   6.761  -0.847
  469    HA   ARG  63           HA       ARG  63   2.497   6.240   0.106
  470    HB2  ARG  63           HB2      ARG  63   3.926   7.512   1.479
  471    HB3  ARG  63           HB1      ARG  63   4.366   8.601   0.171
  472    HG2  ARG  63           HG2      ARG  63   1.832   9.251   0.254
  473    HG3  ARG  63           HG1      ARG  63   1.944   8.610   1.895
  474    HD2  ARG  63           HD2      ARG  63   2.348  11.016   1.843
  475    HD3  ARG  63           HD1      ARG  63   3.770  10.132   2.382
  476    HE   ARG  63           HE       ARG  63   4.456  10.404  -0.102
  477   HH11  ARG  63          HH11      ARG  63   2.703  12.749   1.822
  478   HH12  ARG  63          HH12      ARG  63   3.349  14.116   0.973
  479   HH21  ARG  63          HH21      ARG  63   5.286  12.223  -1.245
  480   HH22  ARG  63          HH22      ARG  63   4.798  13.819  -0.769
  481    H    ASP  64           HN       ASP  64   3.778   8.602  -2.151
  482    HA   ASP  64           HA       ASP  64   1.445   9.859  -2.928
  483    HB2  ASP  64           HB2      ASP  64   3.819  10.504  -3.464
  484    HB3  ASP  64           HB1      ASP  64   3.767   9.285  -4.728
  485    H    HIS  65           HN       HIS  65   2.997   6.931  -4.138
  486    HA   HIS  65           HA       HIS  65   1.269   6.406  -6.276
  487    HB2  HIS  65           HB2      HIS  65   2.864   4.570  -4.530
  488    HB3  HIS  65           HB1      HIS  65   1.965   4.018  -5.921
  489    HD1  HIS  65           HD1      HIS  65   2.940   6.652  -7.659
  490    HD2  HIS  65           HD2      HIS  65   5.221   3.848  -5.654
  491    HE1  HIS  65           HE1      HIS  65   5.232   6.736  -8.718
  492    HE2  HIS  65           HE2      HIS  65   6.604   5.086  -7.446
  493    H    LEU  66           HN       LEU  66   1.078   5.462  -2.831
  494    HA   LEU  66           HA       LEU  66  -1.104   3.701  -3.174
  495    HB2  LEU  66           HB2      LEU  66   0.098   5.146  -0.865
  496    HB3  LEU  66           HB1      LEU  66  -1.433   4.328  -0.654
  497    HG   LEU  66           HG       LEU  66  -0.500   2.220  -0.838
  498   HD11  LEU  66          HD11      LEU  66   1.873   3.445  -2.231
  499   HD12  LEU  66          HD12      LEU  66   0.589   2.503  -2.987
  500   HD13  LEU  66          HD13      LEU  66   1.682   1.737  -1.838
  501   HD21  LEU  66          HD21      LEU  66   1.661   3.980   0.278
  502   HD22  LEU  66          HD22      LEU  66   1.585   2.230   0.483
  503   HD23  LEU  66          HD23      LEU  66   0.319   3.255   1.160
  504    H    GLN  67           HN       GLN  67  -0.932   7.116  -2.354
  505    HA   GLN  67           HA       GLN  67  -3.741   7.396  -1.865
  506    HB2  GLN  67           HB2      GLN  67  -1.954   9.650  -2.707
  507    HB3  GLN  67           HB1      GLN  67  -3.323   9.687  -1.605
  508    HG2  GLN  67           HG2      GLN  67  -2.128   8.804   0.136
  509    HG3  GLN  67           HG1      GLN  67  -0.972   8.032  -0.950
  510   HE21  GLN  67          HE21      GLN  67  -0.431  10.314  -2.539
  511   HE22  GLN  67          HE22      GLN  67   0.500  11.398  -1.583
  512    H    THR  68           HN       THR  68  -1.633   7.731  -4.631
  513    HA   THR  68           HA       THR  68  -3.561   8.806  -6.379
  514    HB   THR  68           HB       THR  68  -0.855   7.612  -6.494
  515    HG1  THR  68           HG1      THR  68  -1.037   9.819  -6.179
  516   HG21  THR  68          HG21      THR  68  -1.903   6.506  -8.374
  517   HG22  THR  68          HG22      THR  68  -0.786   7.743  -8.949
  518   HG23  THR  68          HG23      THR  68  -2.525   8.046  -8.972
  519    H    ALA  69           HN       ALA  69  -2.243   5.630  -5.812
  520    HA   ALA  69           HA       ALA  69  -3.783   4.116  -7.537
  521    HB1  ALA  69           HB1      ALA  69  -3.215   2.239  -6.043
  522    HB2  ALA  69           HB2      ALA  69  -2.574   3.414  -4.890
  523    HB3  ALA  69           HB3      ALA  69  -1.835   3.247  -6.482
  524    H    THR  70           HN       THR  70  -4.390   4.868  -4.108
  525    HA   THR  70           HA       THR  70  -6.870   3.344  -4.226
  526    HB   THR  70           HB       THR  70  -6.990   3.676  -1.813
  527    HG1  THR  70           HG1      THR  70  -4.525   5.070  -1.903
  528   HG21  THR  70          HG21      THR  70  -5.518   1.900  -2.714
  529   HG22  THR  70          HG22      THR  70  -4.955   2.532  -1.167
  530   HG23  THR  70          HG23      THR  70  -4.168   3.037  -2.662
  531    H    GLY  71           HN       GLY  71  -5.740   6.605  -3.929
  532    HA2  GLY  71           HA2      GLY  71  -6.940   8.573  -4.337
  533    HA3  GLY  71           HA1      GLY  71  -8.438   7.644  -4.294
  534    H    LEU  72           HN       LEU  72  -6.472   6.750  -1.807
  535    HA   LEU  72           HA       LEU  72  -8.180   8.031   0.138
  536    HB2  LEU  72           HB2      LEU  72  -5.995   5.964   0.362
  537    HB3  LEU  72           HB1      LEU  72  -6.960   6.528   1.714
  538    HG   LEU  72           HG       LEU  72  -8.080   5.151  -0.719
  539   HD11  LEU  72          HD11      LEU  72  -8.485   3.289   0.930
  540   HD12  LEU  72          HD12      LEU  72  -7.298   4.088   1.958
  541   HD13  LEU  72          HD13      LEU  72  -6.833   3.512   0.362
  542   HD21  LEU  72          HD21      LEU  72  -9.745   6.535   0.179
  543   HD22  LEU  72          HD22      LEU  72  -9.267   6.174   1.833
  544   HD23  LEU  72          HD23      LEU  72 -10.067   4.937   0.856
  545    H    ASN  73           HN       ASN  73  -6.723   8.317   2.312
  546    HA   ASN  73           HA       ASN  73  -4.861  10.472   1.579
  547    HB2  ASN  73           HB2      ASN  73  -7.034  11.202   2.540
  548    HB3  ASN  73           HB1      ASN  73  -6.652  10.303   4.004
  549   HD21  ASN  73          HD21      ASN  73  -6.729  12.189   5.247
  550   HD22  ASN  73          HD22      ASN  73  -5.458  13.363   5.202
  551    H    LEU  74           HN       LEU  74  -2.929   9.381   1.785
  552    HA   LEU  74           HA       LEU  74  -2.425   8.086   4.352
  553    HB2  LEU  74           HB2      LEU  74  -0.983   7.806   1.724
  554    HB3  LEU  74           HB1      LEU  74  -0.543   6.982   3.212
  555    HG   LEU  74           HG       LEU  74  -3.048   6.138   3.080
  556   HD11  LEU  74          HD11      LEU  74  -2.386   6.481   0.156
  557   HD12  LEU  74          HD12      LEU  74  -3.546   7.476   1.039
  558   HD13  LEU  74          HD13      LEU  74  -3.839   5.746   0.852
  559   HD21  LEU  74          HD21      LEU  74  -0.659   5.088   1.618
  560   HD22  LEU  74          HD22      LEU  74  -2.175   4.201   1.723
  561   HD23  LEU  74          HD23      LEU  74  -1.293   4.606   3.194
  562    H    SER  75           HN       SER  75   0.533   8.249   4.160
  563    HA   SER  75           HA       SER  75   0.809  11.086   4.807
  564    HB2  SER  75           HB2      SER  75  -0.164  10.077   6.828
  565    HB3  SER  75           HB1      SER  75   1.169   8.927   6.895
  566    HG   SER  75           HG       SER  75   1.254  10.983   8.204
  567    H    SER  76           HN       SER  76   3.062  11.593   5.642
  568    HA   SER  76           HA       SER  76   4.898  10.937   3.672
  569    HB2  SER  76           HB2      SER  76   6.591  11.931   5.318
  570    HB3  SER  76           HB1      SER  76   5.230  12.951   4.849
  571    HG   SER  76           HG       SER  76   4.591  12.972   6.845
  572    H    THR  77           HN       THR  77   4.697   9.622   6.960
  573    HA   THR  77           HA       THR  77   6.855   7.732   6.300
  574    HB   THR  77           HB       THR  77   6.921   7.393   8.827
  575    HG1  THR  77           HG1      THR  77   5.201   8.326   9.715
  576   HG21  THR  77          HG21      THR  77   7.577  10.116   7.710
  577   HG22  THR  77          HG22      THR  77   8.600   8.684   7.616
  578   HG23  THR  77          HG23      THR  77   8.258   9.422   9.181
  579    H    LEU  78           HN       LEU  78   4.272   7.498   5.394
  580    HA   LEU  78           HA       LEU  78   2.398   6.029   6.730
  581    HB2  LEU  78           HB2      LEU  78   2.242   7.066   4.502
  582    HB3  LEU  78           HB1      LEU  78   3.284   5.821   3.872
  583    HG   LEU  78           HG       LEU  78   0.668   5.772   3.588
  584   HD11  LEU  78          HD11      LEU  78   2.069   4.251   2.477
  585   HD12  LEU  78          HD12      LEU  78   0.851   3.305   3.347
  586   HD13  LEU  78          HD13      LEU  78   2.487   3.432   3.993
  587   HD21  LEU  78          HD21      LEU  78   1.180   4.645   6.300
  588   HD22  LEU  78          HD22      LEU  78  -0.114   3.990   5.290
  589   HD23  LEU  78          HD23      LEU  78  -0.125   5.697   5.736
  590    H    ILE  79           HN       ILE  79   4.881   4.653   4.601
  591    HA   ILE  79           HA       ILE  79   4.366   1.952   5.445
  592    HB   ILE  79           HB       ILE  79   6.168   1.362   3.955
  593   HG12  ILE  79          HG12      ILE  79   6.780   4.304   4.008
  594   HG13  ILE  79          HG11      ILE  79   7.853   2.964   4.396
  595   HG21  ILE  79          HG21      ILE  79   5.406   2.437   1.890
  596   HG22  ILE  79          HG22      ILE  79   4.484   3.601   2.851
  597   HG23  ILE  79          HG23      ILE  79   4.067   1.883   2.896
  598   HD11  ILE  79          HD11      ILE  79   8.517   3.758   2.297
  599   HD12  ILE  79          HD12      ILE  79   6.852   3.849   1.724
  600   HD13  ILE  79          HD13      ILE  79   7.615   2.273   1.979
  601    H    PHE  80           HN       PHE  80   5.757   4.254   7.172
  602    HA   PHE  80           HA       PHE  80   7.611   2.357   8.427
  603    HB2  PHE  80           HB2      PHE  80   7.758   5.377   8.375
  604    HB3  PHE  80           HB1      PHE  80   8.837   4.334   9.296
  605    HD1  PHE  80           HD1      PHE  80   9.059   6.342   6.709
  606    HD2  PHE  80           HD2      PHE  80   9.371   2.158   7.428
  607    HE1  PHE  80           HE1      PHE  80  10.477   6.104   4.715
  608    HE2  PHE  80           HE2      PHE  80  10.789   1.904   5.436
  609    HZ   PHE  80           HZ       PHE  80  11.351   3.887   4.079
  610    H    ASP  81           HN       ASP  81   4.780   4.074   8.558
  611    HA   ASP  81           HA       ASP  81   4.416   3.896  11.416
  612    HB2  ASP  81           HB2      ASP  81   3.257   5.551   9.721
  613    HB3  ASP  81           HB1      ASP  81   2.215   4.176   9.433
  614    H    HIS  82           HN       HIS  82   3.574   2.349   8.447
  615    HA   HIS  82           HA       HIS  82   2.645  -0.045   9.849
  616    HB2  HIS  82           HB2      HIS  82   1.812   0.872   7.088
  617    HB3  HIS  82           HB1      HIS  82   1.095  -0.412   8.050
  618    HD1  HIS  82           HD1      HIS  82  -0.446   0.307  10.035
  619    HD2  HIS  82           HD2      HIS  82   1.015   3.450   7.730
  620    HE1  HIS  82           HE1      HIS  82  -1.716   2.338  10.788
  621    HE2  HIS  82           HE2      HIS  82  -0.625   4.258   9.566
  622    HA   PRO  83           HA       PRO  83   6.624  -1.023   8.439
  623    HB2  PRO  83           HB2      PRO  83   6.606  -3.702   9.059
  624    HB3  PRO  83           HB1      PRO  83   6.841  -2.408  10.239
  625    HG2  PRO  83           HG2      PRO  83   4.339  -3.915   9.552
  626    HG3  PRO  83           HG1      PRO  83   4.971  -3.452  11.148
  627    HD2  PRO  83           HD2      PRO  83   3.005  -2.052   9.973
  628    HD3  PRO  83           HD1      PRO  83   4.261  -1.252  10.925
  629    H    THR  84           HN       THR  84   4.055  -3.248   7.361
  630    HA   THR  84           HA       THR  84   5.743  -3.848   5.046
  631    HB   THR  84           HB       THR  84   4.700  -6.055   4.990
  632    HG1  THR  84           HG1      THR  84   3.573  -6.449   7.227
  633   HG21  THR  84          HG21      THR  84   5.855  -5.364   7.698
  634   HG22  THR  84          HG22      THR  84   6.780  -5.779   6.255
  635   HG23  THR  84          HG23      THR  84   5.741  -6.987   7.015
  636    HA   PRO  85           HA       PRO  85   2.462  -2.631   2.315
  637    HB2  PRO  85           HB2      PRO  85   2.784  -5.258   0.985
  638    HB3  PRO  85           HB1      PRO  85   2.921  -3.641   0.298
  639    HG2  PRO  85           HG2      PRO  85   5.074  -5.184   0.727
  640    HG3  PRO  85           HG1      PRO  85   5.127  -3.421   0.903
  641    HD2  PRO  85           HD2      PRO  85   5.046  -5.528   2.996
  642    HD3  PRO  85           HD1      PRO  85   5.851  -3.953   3.012
  643    H    HIS  86           HN       HIS  86   2.575  -5.516   4.059
  644    HA   HIS  86           HA       HIS  86  -0.156  -6.327   3.689
  645    HB2  HIS  86           HB2      HIS  86   1.136  -8.089   4.413
  646    HB3  HIS  86           HB1      HIS  86   2.136  -7.080   5.428
  647    HD1  HIS  86           HD1      HIS  86  -0.678  -9.415   5.553
  648    HD2  HIS  86           HD2      HIS  86   0.877  -6.392   7.953
  649    HE1  HIS  86           HE1      HIS  86  -1.624  -9.825   7.847
  650    HE2  HIS  86           HE2      HIS  86  -0.759  -7.923   9.255
  651    H    ALA  87           HN       ALA  87   1.689  -4.566   6.113
  652    HA   ALA  87           HA       ALA  87  -0.526  -4.056   7.846
  653    HB1  ALA  87           HB1      ALA  87   2.148  -2.661   7.718
  654    HB2  ALA  87           HB2      ALA  87   1.822  -4.137   8.634
  655    HB3  ALA  87           HB3      ALA  87   1.013  -2.631   9.069
  656    H    VAL  88           HN       VAL  88   0.792  -2.668   5.083
  657    HA   VAL  88           HA       VAL  88  -0.347  -0.037   5.491
  658    HB   VAL  88           HB       VAL  88   1.131  -1.304   3.206
  659   HG11  VAL  88          HG11      VAL  88   1.215   0.969   2.227
  660   HG12  VAL  88          HG12      VAL  88   0.044   1.484   3.442
  661   HG13  VAL  88          HG13      VAL  88  -0.397   0.256   2.256
  662   HG21  VAL  88          HG21      VAL  88   2.905   0.281   3.812
  663   HG22  VAL  88          HG22      VAL  88   2.518  -0.830   5.127
  664   HG23  VAL  88          HG23      VAL  88   1.927   0.836   5.170
  665    H    ALA  89           HN       ALA  89  -0.857  -2.827   3.390
  666    HA   ALA  89           HA       ALA  89  -2.988  -1.727   1.942
  667    HB1  ALA  89           HB1      ALA  89  -2.376  -4.601   2.598
  668    HB2  ALA  89           HB2      ALA  89  -1.929  -3.706   1.143
  669    HB3  ALA  89           HB3      ALA  89  -3.621  -4.078   1.461
  670    H    GLU  90           HN       GLU  90  -2.962  -3.527   5.048
  671    HA   GLU  90           HA       GLU  90  -5.831  -3.492   5.204
  672    HB2  GLU  90           HB2      GLU  90  -5.430  -4.129   7.602
  673    HB3  GLU  90           HB1      GLU  90  -4.699  -5.204   6.417
  674    HG2  GLU  90           HG2      GLU  90  -2.553  -4.166   6.755
  675    HG3  GLU  90           HG1      GLU  90  -3.253  -3.028   7.900
  676    H    HIS  91           HN       HIS  91  -3.251  -1.388   6.023
  677    HA   HIS  91           HA       HIS  91  -4.655   0.435   7.627
  678    HB2  HIS  91           HB2      HIS  91  -2.316   0.616   7.692
  679    HB3  HIS  91           HB1      HIS  91  -2.181   0.640   5.933
  680    HD1  HIS  91           HD1      HIS  91  -3.437   2.851   8.767
  681    HD2  HIS  91           HD2      HIS  91  -2.099   3.086   4.842
  682    HE1  HIS  91           HE1      HIS  91  -3.262   5.305   8.264
  683    HE2  HIS  91           HE2      HIS  91  -2.647   5.426   5.832
  684    H    LEU  92           HN       LEU  92  -4.559  -0.133   4.218
  685    HA   LEU  92           HA       LEU  92  -5.738   2.359   3.450
  686    HB2  LEU  92           HB2      LEU  92  -5.066  -0.217   2.109
  687    HB3  LEU  92           HB1      LEU  92  -6.286   0.810   1.358
  688    HG   LEU  92           HG       LEU  92  -4.772   2.536   0.944
  689   HD11  LEU  92          HD11      LEU  92  -2.414   2.427   1.958
  690   HD12  LEU  92          HD12      LEU  92  -3.122   1.316   3.129
  691   HD13  LEU  92          HD13      LEU  92  -3.740   2.966   2.990
  692   HD21  LEU  92          HD21      LEU  92  -2.856   1.530  -0.143
  693   HD22  LEU  92          HD22      LEU  92  -4.313   0.582  -0.443
  694   HD23  LEU  92          HD23      LEU  92  -3.127   0.029   0.740
  695    H    LEU  93           HN       LEU  93  -6.891  -0.471   4.884
  696    HA   LEU  93           HA       LEU  93  -9.624  -0.296   3.970
  697    HB2  LEU  93           HB2      LEU  93  -8.303  -1.800   6.202
  698    HB3  LEU  93           HB1      LEU  93 -10.039  -1.801   5.989
  699    HG   LEU  93           HG       LEU  93  -9.919  -3.087   4.038
  700   HD11  LEU  93          HD11      LEU  93  -8.219  -1.862   2.838
  701   HD12  LEU  93          HD12      LEU  93  -7.801  -3.577   2.867
  702   HD13  LEU  93          HD13      LEU  93  -6.973  -2.445   3.944
  703   HD21  LEU  93          HD21      LEU  93  -8.618  -5.013   4.685
  704   HD22  LEU  93          HD22      LEU  93  -9.372  -4.294   6.107
  705   HD23  LEU  93          HD23      LEU  93  -7.657  -4.025   5.786
  706    H    GLU  94           HN       GLU  94  -7.646   0.804   6.524
  707    HA   GLU  94           HA       GLU  94  -9.447   1.766   8.401
  708    HB2  GLU  94           HB2      GLU  94  -6.773   2.798   7.465
  709    HB3  GLU  94           HB1      GLU  94  -7.585   3.395   8.915
  710    HG2  GLU  94           HG2      GLU  94  -6.642   0.579   8.420
  711    HG3  GLU  94           HG1      GLU  94  -5.837   1.777   9.428
  712    H    GLN  95           HN       GLN  95  -8.482   2.964   5.289
  713    HA   GLN  95           HA       GLN  95  -9.590   5.606   5.698
  714    HB2  GLN  95           HB2      GLN  95  -8.705   4.556   3.054
  715    HB3  GLN  95           HB1      GLN  95  -8.485   6.155   3.742
  716    HG2  GLN  95           HG2      GLN  95  -7.065   3.744   4.802
  717    HG3  GLN  95           HG1      GLN  95  -6.415   4.728   3.500
  718   HE21  GLN  95          HE21      GLN  95  -5.516   4.170   6.214
  719   HE22  GLN  95          HE22      GLN  95  -5.266   5.715   6.947
  720    H    ILE  96           HN       ILE  96 -10.588   2.554   4.546
  721    HA   ILE  96           HA       ILE  96 -12.296   3.379   2.429
  722    HB   ILE  96           HB       ILE  96 -12.031   0.767   3.880
  723   HG12  ILE  96          HG12      ILE  96 -10.005   1.709   2.828
  724   HG13  ILE  96          HG11      ILE  96 -10.503   0.186   2.137
  725   HG21  ILE  96          HG21      ILE  96 -14.156   1.025   2.578
  726   HG22  ILE  96          HG22      ILE  96 -13.115  -0.307   2.079
  727   HG23  ILE  96          HG23      ILE  96 -13.154   1.181   1.134
  728   HD11  ILE  96          HD11      ILE  96 -11.077   2.893   0.950
  729   HD12  ILE  96          HD12      ILE  96 -11.427   1.327   0.215
  730   HD13  ILE  96          HD13      ILE  96  -9.752   1.834   0.458
  731    HA   PRO  97           HA       PRO  97 -15.774   4.621   4.658
  732    HB2  PRO  97           HB2      PRO  97 -17.583   4.638   2.696
  733    HB3  PRO  97           HB1      PRO  97 -16.175   5.709   2.665
  734    HG2  PRO  97           HG2      PRO  97 -16.536   3.056   1.319
  735    HG3  PRO  97           HG1      PRO  97 -15.982   4.579   0.614
  736    HD2  PRO  97           HD2      PRO  97 -14.270   2.670   1.401
  737    HD3  PRO  97           HD1      PRO  97 -13.892   4.385   1.553
  738    H    GLY  98           HN       GLY  98 -15.926   2.632   6.033
  739    HA2  GLY  98           HA2      GLY  98 -17.533   1.382   7.144
  740    HA3  GLY  98           HA1      GLY  98 -18.632   1.665   5.807
  741    H    ILE  99           HN       ILE  99 -17.577   0.562   3.700
  742    HA   ILE  99           HA       ILE  99 -17.938  -2.186   3.911
  743    HB   ILE  99           HB       ILE  99 -16.463  -2.120   1.698
  744   HG12  ILE  99          HG12      ILE  99 -17.489   0.670   1.588
  745   HG13  ILE  99          HG11      ILE  99 -16.001   0.390   2.482
  746   HG21  ILE  99          HG21      ILE  99 -18.496  -1.549   0.452
  747   HG22  ILE  99          HG22      ILE  99 -19.222  -0.926   1.933
  748   HG23  ILE  99          HG23      ILE  99 -18.837  -2.642   1.793
  749   HD11  ILE  99          HD11      ILE  99 -16.504  -0.244  -0.412
  750   HD12  ILE  99          HD12      ILE  99 -15.029  -0.639   0.479
  751   HD13  ILE  99          HD13      ILE  99 -15.492   1.049   0.246
  752    H    GLY 100           HN       GLY 100 -15.064  -0.275   4.350
  753    HA2  GLY 100           HA2      GLY 100 -13.500  -2.746   4.686
  754    HA3  GLY 100           HA1      GLY 100 -12.823  -1.222   4.117
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  -8.604  13.817  -8.724
    2    H2   GLY   1           HT2      GLY   1  -7.271  14.068  -7.714
    3    H3   GLY   1           HT3      GLY   1  -7.675  15.220  -8.885
    4    HA2  GLY   1           HA1      GLY   1  -8.342  15.933  -6.666
    5    HA3  GLY   1           HA2      GLY   1  -9.704  15.758  -7.760
    6    H    SER   2           HN       SER   2 -11.198  15.424  -6.134
    7    HA   SER   2           HA       SER   2 -10.964  13.515  -4.077
    8    HB2  SER   2           HB2      SER   2 -13.524  14.479  -5.371
    9    HB3  SER   2           HB1      SER   2 -13.315  13.888  -3.723
   10    HG   SER   2           HG       SER   2 -11.908  15.723  -3.389
   11    H    THR   3           HN       THR   3 -10.594  11.411  -4.501
   12    HA   THR   3           HA       THR   3 -12.102  10.193  -6.709
   13    HB   THR   3           HB       THR   3  -9.349   9.394  -5.746
   14    HG1  THR   3           HG1      THR   3  -8.784  11.030  -6.971
   15   HG21  THR   3          HG21      THR   3 -10.581   7.512  -6.673
   16   HG22  THR   3          HG22      THR   3  -9.312   8.017  -7.793
   17   HG23  THR   3          HG23      THR   3 -10.990   8.461  -8.105
   18    H    ALA   4           HN       ALA   4 -10.097   8.292  -4.606
   19    HA   ALA   4           HA       ALA   4 -10.489   6.577  -3.207
   20    HB1  ALA   4           HB1      ALA   4 -11.542   8.319  -1.805
   21    HB2  ALA   4           HB2      ALA   4 -12.261   6.724  -1.582
   22    HB3  ALA   4           HB3      ALA   4 -13.097   7.941  -2.548
   23    H    THR   5           HN       THR   5 -13.640   7.317  -4.729
   24    HA   THR   5           HA       THR   5 -14.796   4.870  -4.900
   25    HB   THR   5           HB       THR   5 -14.756   6.817  -7.199
   26    HG1  THR   5           HG1      THR   5 -16.106   6.863  -4.696
   27   HG21  THR   5          HG21      THR   5 -16.850   4.875  -6.216
   28   HG22  THR   5          HG22      THR   5 -15.897   4.722  -7.691
   29   HG23  THR   5          HG23      THR   5 -17.068   6.031  -7.528
   30    H    LEU   6           HN       LEU   6 -12.075   5.937  -6.738
   31    HA   LEU   6           HA       LEU   6 -11.939   4.100  -8.783
   32    HB2  LEU   6           HB2      LEU   6 -10.367   5.852  -8.722
   33    HB3  LEU   6           HB1      LEU   6  -9.879   5.454  -7.086
   34    HG   LEU   6           HG       LEU   6  -8.744   3.440  -7.901
   35   HD11  LEU   6          HD11      LEU   6 -10.138   2.976  -9.844
   36   HD12  LEU   6          HD12      LEU   6  -8.441   3.102 -10.310
   37   HD13  LEU   6          HD13      LEU   6  -9.547   4.436 -10.636
   38   HD21  LEU   6          HD21      LEU   6  -7.567   5.593  -7.704
   39   HD22  LEU   6          HD22      LEU   6  -7.943   5.937  -9.394
   40   HD23  LEU   6          HD23      LEU   6  -6.900   4.576  -8.983
   41    H    LEU   7           HN       LEU   7 -10.307   3.810  -5.638
   42    HA   LEU   7           HA       LEU   7  -9.951   0.974  -6.057
   43    HB2  LEU   7           HB2      LEU   7  -8.645   2.975  -4.584
   44    HB3  LEU   7           HB1      LEU   7  -9.320   1.867  -3.402
   45    HG   LEU   7           HG       LEU   7  -6.996   1.292  -4.049
   46   HD11  LEU   7          HD11      LEU   7  -8.634  -0.333  -3.175
   47   HD12  LEU   7          HD12      LEU   7  -7.437  -1.072  -4.242
   48   HD13  LEU   7          HD13      LEU   7  -9.073  -0.749  -4.831
   49   HD21  LEU   7          HD21      LEU   7  -7.276   1.980  -6.453
   50   HD22  LEU   7          HD22      LEU   7  -8.200   0.497  -6.695
   51   HD23  LEU   7          HD23      LEU   7  -6.507   0.410  -6.209
   52    H    THR   8           HN       THR   8 -11.930   3.120  -4.207
   53    HA   THR   8           HA       THR   8 -12.877   1.412  -2.221
   54    HB   THR   8           HB       THR   8 -14.108   3.767  -3.590
   55    HG1  THR   8           HG1      THR   8 -12.243   3.967  -2.152
   56   HG21  THR   8          HG21      THR   8 -15.789   3.859  -1.804
   57   HG22  THR   8          HG22      THR   8 -15.191   2.328  -1.168
   58   HG23  THR   8          HG23      THR   8 -15.953   2.384  -2.757
   59    H    SER   9           HN       SER   9 -13.899   1.780  -5.565
   60    HA   SER   9           HA       SER   9 -16.202   0.122  -5.356
   61    HB2  SER   9           HB2      SER   9 -14.559   1.153  -7.656
   62    HB3  SER   9           HB1      SER   9 -15.907   0.038  -7.917
   63    HG   SER   9           HG       SER   9 -16.311   2.428  -7.971
   64    H    LYS  10           HN       LYS  10 -12.829  -0.497  -5.591
   65    HA   LYS  10           HA       LYS  10 -13.012  -3.216  -6.447
   66    HB2  LYS  10           HB2      LYS  10 -10.919  -1.638  -6.381
   67    HB3  LYS  10           HB1      LYS  10 -10.825  -2.105  -4.686
   68    HG2  LYS  10           HG2      LYS  10  -9.934  -3.521  -7.053
   69    HG3  LYS  10           HG1      LYS  10  -9.524  -3.773  -5.364
   70    HD2  LYS  10           HD2      LYS  10 -10.512  -5.770  -5.832
   71    HD3  LYS  10           HD1      LYS  10 -11.922  -4.852  -5.303
   72    HE2  LYS  10           HE2      LYS  10 -12.527  -6.015  -7.269
   73    HE3  LYS  10           HE1      LYS  10 -12.366  -4.321  -7.706
   74    HZ1  LYS  10           HZ1      LYS  10 -10.336  -6.429  -8.199
   75    HZ2  LYS  10           HZ2      LYS  10 -10.164  -4.795  -8.590
   76    HZ3  LYS  10           HZ3      LYS  10 -11.341  -5.727  -9.363
   77    H    LEU  11           HN       LEU  11 -12.417  -1.666  -3.317
   78    HA   LEU  11           HA       LEU  11 -12.467  -4.013  -1.789
   79    HB2  LEU  11           HB2      LEU  11 -13.181  -1.228  -0.889
   80    HB3  LEU  11           HB1      LEU  11 -12.823  -2.571   0.166
   81    HG   LEU  11           HG       LEU  11 -10.806  -1.512   0.203
   82   HD11  LEU  11          HD11      LEU  11 -10.516  -3.095  -2.338
   83   HD12  LEU  11          HD12      LEU  11 -10.536  -3.795  -0.714
   84   HD13  LEU  11          HD13      LEU  11  -9.241  -2.687  -1.184
   85   HD21  LEU  11          HD21      LEU  11 -10.946  -0.810  -2.716
   86   HD22  LEU  11          HD22      LEU  11  -9.895  -0.129  -1.468
   87   HD23  LEU  11          HD23      LEU  11 -11.623   0.226  -1.455
   88    H    ALA  12           HN       ALA  12 -15.013  -2.005  -2.980
   89    HA   ALA  12           HA       ALA  12 -17.187  -2.765  -1.469
   90    HB1  ALA  12           HB1      ALA  12 -17.052  -2.386  -4.463
   91    HB2  ALA  12           HB2      ALA  12 -17.270  -1.105  -3.265
   92    HB3  ALA  12           HB3      ALA  12 -18.521  -2.330  -3.483
   93    H    GLY  13           HN       GLY  13 -15.509  -4.528  -3.998
   94    HA2  GLY  13           HA2      GLY  13 -17.481  -6.634  -4.120
   95    HA3  GLY  13           HA1      GLY  13 -15.954  -6.565  -4.989
   96    H    LEU  14           HN       LEU  14 -14.788  -5.966  -2.142
   97    HA   LEU  14           HA       LEU  14 -14.230  -8.790  -1.642
   98    HB2  LEU  14           HB2      LEU  14 -12.806  -6.288  -0.868
   99    HB3  LEU  14           HB1      LEU  14 -12.363  -7.836  -0.254
  100    HG   LEU  14           HG       LEU  14 -10.885  -7.792  -1.913
  101   HD11  LEU  14          HD11      LEU  14 -11.636  -8.856  -3.949
  102   HD12  LEU  14          HD12      LEU  14 -13.309  -8.459  -3.557
  103   HD13  LEU  14          HD13      LEU  14 -12.409  -9.586  -2.537
  104   HD21  LEU  14          HD21      LEU  14 -12.729  -5.915  -3.342
  105   HD22  LEU  14          HD22      LEU  14 -11.142  -6.409  -3.927
  106   HD23  LEU  14          HD23      LEU  14 -11.284  -5.506  -2.417
  107    H    THR  15           HN       THR  15 -13.719  -9.337   0.554
  108    HA   THR  15           HA       THR  15 -15.350  -7.978   2.568
  109    HB   THR  15           HB       THR  15 -14.953  -9.916   3.951
  110    HG1  THR  15           HG1      THR  15 -13.549 -11.638   2.823
  111   HG21  THR  15          HG21      THR  15 -16.642 -10.264   2.237
  112   HG22  THR  15          HG22      THR  15 -15.745 -11.764   2.487
  113   HG23  THR  15          HG23      THR  15 -15.401 -10.750   1.080
  114    H    ALA  16           HN       ALA  16 -14.072  -7.599   4.694
  115    HA   ALA  16           HA       ALA  16 -12.047  -5.800   4.274
  116    HB1  ALA  16           HB1      ALA  16 -12.376  -7.567   6.700
  117    HB2  ALA  16           HB2      ALA  16 -13.217  -6.045   6.406
  118    HB3  ALA  16           HB3      ALA  16 -11.469  -6.057   6.637
  119    H    THR  17           HN       THR  17 -11.731  -9.289   4.671
  120    HA   THR  17           HA       THR  17  -8.915  -9.365   4.867
  121    HB   THR  17           HB       THR  17 -10.762 -11.537   3.875
  122    HG1  THR  17           HG1      THR  17 -10.480 -10.392   6.332
  123   HG21  THR  17          HG21      THR  17  -9.010 -13.033   4.705
  124   HG22  THR  17          HG22      THR  17  -8.028 -11.635   5.138
  125   HG23  THR  17          HG23      THR  17  -8.404 -11.958   3.447
  126    H    GLU  18           HN       GLU  18 -11.114  -9.821   2.092
  127    HA   GLU  18           HA       GLU  18  -9.014 -10.254   0.255
  128    HB2  GLU  18           HB2      GLU  18 -11.891  -9.498  -0.157
  129    HB3  GLU  18           HB1      GLU  18 -10.797 -10.036  -1.408
  130    HG2  GLU  18           HG2      GLU  18 -10.589 -12.189  -0.294
  131    HG3  GLU  18           HG1      GLU  18 -11.678 -11.627   0.972
  132    H    GLN  19           HN       GLN  19 -10.712  -7.473   1.463
  133    HA   GLN  19           HA       GLN  19  -9.771  -5.564  -0.375
  134    HB2  GLN  19           HB2      GLN  19 -10.388  -5.267   2.563
  135    HB3  GLN  19           HB1      GLN  19 -10.231  -3.944   1.422
  136    HG2  GLN  19           HG2      GLN  19 -12.122  -4.724   0.195
  137    HG3  GLN  19           HG1      GLN  19 -12.246  -6.143   1.212
  138   HE21  GLN  19          HE21      GLN  19 -14.270  -4.264   0.699
  139   HE22  GLN  19          HE22      GLN  19 -14.687  -3.522   2.207
  140    H    ARG  20           HN       ARG  20  -8.412  -6.906   2.585
  141    HA   ARG  20           HA       ARG  20  -5.967  -5.519   2.603
  142    HB2  ARG  20           HB2      ARG  20  -6.043  -8.473   3.146
  143    HB3  ARG  20           HB1      ARG  20  -5.092  -7.230   3.946
  144    HG2  ARG  20           HG2      ARG  20  -7.084  -6.406   5.038
  145    HG3  ARG  20           HG1      ARG  20  -8.063  -7.624   4.209
  146    HD2  ARG  20           HD2      ARG  20  -7.580  -8.357   6.459
  147    HD3  ARG  20           HD1      ARG  20  -6.725  -9.373   5.306
  148    HE   ARG  20           HE       ARG  20  -5.068  -7.252   6.197
  149   HH11  ARG  20          HH11      ARG  20  -6.371 -10.350   7.166
  150   HH12  ARG  20          HH12      ARG  20  -5.106 -10.670   8.305
  151   HH21  ARG  20          HH21      ARG  20  -3.396  -7.664   7.723
  152   HH22  ARG  20          HH22      ARG  20  -3.431  -9.154   8.623
  153    H    ALA  21           HN       ALA  21  -6.951  -8.493   1.020
  154    HA   ALA  21           HA       ALA  21  -4.489  -9.257  -0.032
  155    HB1  ALA  21           HB1      ALA  21  -5.732 -10.756  -1.469
  156    HB2  ALA  21           HB2      ALA  21  -7.213  -9.847  -1.166
  157    HB3  ALA  21           HB3      ALA  21  -6.438 -10.732   0.147
  158    H    VAL  22           HN       VAL  22  -6.972  -7.211  -1.461
  159    HA   VAL  22           HA       VAL  22  -5.855  -7.285  -4.066
  160    HB   VAL  22           HB       VAL  22  -7.367  -5.309  -4.520
  161   HG11  VAL  22          HG11      VAL  22  -8.786  -7.623  -3.208
  162   HG12  VAL  22          HG12      VAL  22  -7.985  -7.744  -4.777
  163   HG13  VAL  22          HG13      VAL  22  -9.340  -6.630  -4.567
  164   HG21  VAL  22          HG21      VAL  22  -8.154  -5.800  -1.644
  165   HG22  VAL  22          HG22      VAL  22  -9.067  -4.813  -2.789
  166   HG23  VAL  22          HG23      VAL  22  -7.441  -4.328  -2.310
  167    H    THR  23           HN       THR  23  -5.632  -4.791  -1.481
  168    HA   THR  23           HA       THR  23  -3.654  -3.510  -3.179
  169    HB   THR  23           HB       THR  23  -5.090  -1.961  -2.281
  170    HG1  THR  23           HG1      THR  23  -3.138  -1.260  -0.555
  171   HG21  THR  23          HG21      THR  23  -5.503  -1.556   0.052
  172   HG22  THR  23          HG22      THR  23  -4.351  -2.814   0.488
  173   HG23  THR  23          HG23      THR  23  -5.862  -3.248  -0.308
  174    H    ARG  24           HN       ARG  24  -3.646  -5.778  -0.642
  175    HA   ARG  24           HA       ARG  24  -0.964  -5.368   0.193
  176    HB2  ARG  24           HB2      ARG  24  -2.436  -7.032   1.261
  177    HB3  ARG  24           HB1      ARG  24  -2.477  -7.957  -0.226
  178    HG2  ARG  24           HG2      ARG  24   0.169  -7.869   0.168
  179    HG3  ARG  24           HG1      ARG  24  -0.387  -7.780   1.840
  180    HD2  ARG  24           HD2      ARG  24  -1.757  -9.785   1.460
  181    HD3  ARG  24           HD1      ARG  24  -1.137  -9.875  -0.185
  182    HE   ARG  24           HE       ARG  24   1.007  -9.851   1.638
  183   HH11  ARG  24          HH11      ARG  24  -1.587 -11.942   0.567
  184   HH12  ARG  24          HH12      ARG  24  -0.704 -13.402   0.885
  185   HH21  ARG  24          HH21      ARG  24   2.166 -11.758   2.046
  186   HH22  ARG  24          HH22      ARG  24   1.427 -13.299   1.724
  187    H    LYS  25           HN       LYS  25  -2.442  -6.103  -2.708
  188    HA   LYS  25           HA       LYS  25   0.014  -6.928  -3.999
  189    HB2  LYS  25           HB2      LYS  25  -1.633  -8.286  -4.800
  190    HB3  LYS  25           HB1      LYS  25  -2.896  -7.114  -4.518
  191    HG2  LYS  25           HG2      LYS  25  -2.650  -7.620  -6.874
  192    HG3  LYS  25           HG1      LYS  25  -2.304  -5.932  -6.518
  193    HD2  LYS  25           HD2      LYS  25   0.100  -6.394  -6.647
  194    HD3  LYS  25           HD1      LYS  25  -0.240  -8.100  -6.955
  195    HE2  LYS  25           HE2      LYS  25  -1.302  -7.569  -9.040
  196    HE3  LYS  25           HE1      LYS  25  -1.197  -5.843  -8.709
  197    HZ1  LYS  25           HZ1      LYS  25   1.116  -5.864  -9.015
  198    HZ2  LYS  25           HZ2      LYS  25   0.500  -6.802 -10.280
  199    HZ3  LYS  25           HZ3      LYS  25   1.207  -7.554  -8.943
  200    H    LEU  26           HN       LEU  26  -2.387  -4.266  -3.822
  201    HA   LEU  26           HA       LEU  26  -1.244  -2.764  -5.924
  202    HB2  LEU  26           HB2      LEU  26  -3.531  -2.426  -5.298
  203    HB3  LEU  26           HB1      LEU  26  -3.063  -1.974  -3.675
  204    HG   LEU  26           HG       LEU  26  -3.784  -0.136  -5.307
  205   HD11  LEU  26          HD11      LEU  26  -2.736   0.051  -3.047
  206   HD12  LEU  26          HD12      LEU  26  -2.510   1.432  -4.128
  207   HD13  LEU  26          HD13      LEU  26  -1.196   0.279  -3.879
  208   HD21  LEU  26          HD21      LEU  26  -0.956  -0.520  -6.224
  209   HD22  LEU  26          HD22      LEU  26  -2.002   0.843  -6.635
  210   HD23  LEU  26          HD23      LEU  26  -2.408  -0.783  -7.188
  211    H    VAL  27           HN       VAL  27  -0.973  -2.279  -2.350
  212    HA   VAL  27           HA       VAL  27   0.844  -0.164  -2.508
  213    HB   VAL  27           HB       VAL  27  -0.106  -0.652  -0.346
  214   HG11  VAL  27          HG11      VAL  27   1.306  -3.295  -0.578
  215   HG12  VAL  27          HG12      VAL  27  -0.425  -3.004  -0.434
  216   HG13  VAL  27          HG13      VAL  27   0.642  -2.669   0.931
  217   HG21  VAL  27          HG21      VAL  27   2.857  -1.240  -0.289
  218   HG22  VAL  27          HG22      VAL  27   1.886  -0.654   1.064
  219   HG23  VAL  27          HG23      VAL  27   2.129   0.368  -0.353
  220    H    LEU  28           HN       LEU  28   1.237  -3.562  -2.614
  221    HA   LEU  28           HA       LEU  28   4.006  -3.836  -2.632
  222    HB2  LEU  28           HB2      LEU  28   1.933  -5.505  -2.602
  223    HB3  LEU  28           HB1      LEU  28   2.266  -5.558  -4.317
  224    HG   LEU  28           HG       LEU  28   4.439  -6.486  -3.943
  225   HD11  LEU  28          HD11      LEU  28   3.853  -5.974  -1.043
  226   HD12  LEU  28          HD12      LEU  28   5.113  -5.232  -2.030
  227   HD13  LEU  28          HD13      LEU  28   5.203  -6.949  -1.634
  228   HD21  LEU  28          HD21      LEU  28   2.280  -7.736  -2.250
  229   HD22  LEU  28          HD22      LEU  28   3.808  -8.536  -2.639
  230   HD23  LEU  28          HD23      LEU  28   2.682  -8.107  -3.931
  231    H    ASP  29           HN       ASP  29   1.676  -3.427  -5.204
  232    HA   ASP  29           HA       ASP  29   3.498  -3.691  -7.359
  233    HB2  ASP  29           HB2      ASP  29   0.953  -3.974  -7.366
  234    HB3  ASP  29           HB1      ASP  29   0.873  -2.221  -7.453
  235    H    GLN  30           HN       GLN  30   2.068  -0.954  -5.658
  236    HA   GLN  30           HA       GLN  30   3.252   1.104  -7.135
  237    HB2  GLN  30           HB2      GLN  30   2.578   1.012  -4.215
  238    HB3  GLN  30           HB1      GLN  30   2.799   2.462  -5.183
  239    HG2  GLN  30           HG2      GLN  30   0.599   0.426  -5.443
  240    HG3  GLN  30           HG1      GLN  30   0.480   2.089  -4.891
  241   HE21  GLN  30          HE21      GLN  30   0.844  -0.001  -7.618
  242   HE22  GLN  30          HE22      GLN  30   0.539   1.186  -8.841
  243    H    ALA  31           HN       ALA  31   4.285  -0.590  -4.243
  244    HA   ALA  31           HA       ALA  31   6.677   0.818  -3.770
  245    HB1  ALA  31           HB1      ALA  31   6.059  -2.081  -3.191
  246    HB2  ALA  31           HB2      ALA  31   5.563  -0.721  -2.176
  247    HB3  ALA  31           HB3      ALA  31   7.280  -1.080  -2.392
  248    H    ALA  32           HN       ALA  32   5.785  -1.778  -5.835
  249    HA   ALA  32           HA       ALA  32   8.360  -2.568  -6.678
  250    HB1  ALA  32           HB1      ALA  32   6.755  -4.147  -7.141
  251    HB2  ALA  32           HB2      ALA  32   6.828  -3.340  -8.711
  252    HB3  ALA  32           HB3      ALA  32   5.533  -2.941  -7.574
  253    H    SER  33           HN       SER  33   5.920  -0.342  -7.928
  254    HA   SER  33           HA       SER  33   7.222   0.464 -10.264
  255    HB2  SER  33           HB2      SER  33   4.921   1.013  -9.959
  256    HB3  SER  33           HB1      SER  33   5.243   1.810  -8.420
  257    HG   SER  33           HG       SER  33   5.592   2.733 -11.030
  258    H    VAL  34           HN       VAL  34   7.444   1.571  -6.948
  259    HA   VAL  34           HA       VAL  34   9.124   3.786  -7.323
  260    HB   VAL  34           HB       VAL  34   9.143   1.961  -4.934
  261   HG11  VAL  34          HG11      VAL  34   9.655   4.907  -5.287
  262   HG12  VAL  34          HG12      VAL  34  10.826   3.665  -4.843
  263   HG13  VAL  34          HG13      VAL  34   9.532   4.103  -3.724
  264   HG21  VAL  34          HG21      VAL  34   7.182   4.133  -5.579
  265   HG22  VAL  34          HG22      VAL  34   7.331   3.305  -4.029
  266   HG23  VAL  34          HG23      VAL  34   6.866   2.402  -5.465
  267    H    LEU  35           HN       LEU  35   9.780   0.550  -6.138
  268    HA   LEU  35           HA       LEU  35  12.504   0.921  -5.803
  269    HB2  LEU  35           HB2      LEU  35  10.518  -1.159  -5.613
  270    HB3  LEU  35           HB1      LEU  35  12.116  -1.780  -6.001
  271    HG   LEU  35           HG       LEU  35  12.922  -1.322  -3.916
  272   HD11  LEU  35          HD11      LEU  35  12.752   1.081  -3.964
  273   HD12  LEU  35          HD12      LEU  35  12.055   0.499  -2.453
  274   HD13  LEU  35          HD13      LEU  35  11.000   1.002  -3.778
  275   HD21  LEU  35          HD21      LEU  35  10.974  -1.487  -2.274
  276   HD22  LEU  35          HD22      LEU  35  11.186  -2.782  -3.449
  277   HD23  LEU  35          HD23      LEU  35   9.953  -1.545  -3.718
  278    H    GLY  36           HN       GLY  36  10.729  -0.181  -8.623
  279    HA2  GLY  36           HA2      GLY  36  12.120   0.220 -10.703
  280    HA3  GLY  36           HA1      GLY  36  13.323  -0.760  -9.878
  281    H    TYR  37           HN       TYR  37  10.105  -1.669  -9.393
  282    HA   TYR  37           HA       TYR  37  10.695  -4.146 -10.840
  283    HB2  TYR  37           HB2      TYR  37   8.618  -3.691  -8.708
  284    HB3  TYR  37           HB1      TYR  37   9.238  -5.224  -9.283
  285    HD1  TYR  37           HD1      TYR  37   9.100  -4.318  -6.378
  286    HD2  TYR  37           HD2      TYR  37  12.161  -4.093  -9.303
  287    HE1  TYR  37           HE1      TYR  37  10.776  -4.304  -4.594
  288    HE2  TYR  37           HE2      TYR  37  13.854  -4.059  -7.546
  289    HH   TYR  37           HH       TYR  37  13.135  -4.805  -4.282
  290    H    ALA  38           HN       ALA  38   8.641  -5.324 -11.569
  291    HA   ALA  38           HA       ALA  38   6.661  -3.433 -12.641
  292    HB1  ALA  38           HB1      ALA  38   8.057  -5.512 -14.313
  293    HB2  ALA  38           HB2      ALA  38   8.411  -3.783 -14.346
  294    HB3  ALA  38           HB3      ALA  38   6.829  -4.371 -14.858
  295    H    SER  39           HN       SER  39   7.257  -6.233 -10.995
  296    HA   SER  39           HA       SER  39   4.527  -7.123 -11.282
  297    HB2  SER  39           HB2      SER  39   5.702  -8.242 -13.167
  298    HB3  SER  39           HB1      SER  39   6.819  -8.968 -12.018
  299    HG   SER  39           HG       SER  39   4.127  -9.549 -12.523
  300    H    THR  40           HN       THR  40   6.256  -6.010  -9.250
  301    HA   THR  40           HA       THR  40   7.095  -6.288  -7.155
  302    HB   THR  40           HB       THR  40   5.625  -7.502  -5.591
  303    HG1  THR  40           HG1      THR  40   4.733  -8.660  -7.956
  304   HG21  THR  40          HG21      THR  40   5.030  -5.242  -6.194
  305   HG22  THR  40          HG22      THR  40   3.555  -6.208  -6.089
  306   HG23  THR  40          HG23      THR  40   4.239  -5.808  -7.667
  307    H    GLU  41           HN       GLU  41   8.520  -7.717  -8.934
  308    HA   GLU  41           HA       GLU  41   8.680 -10.473  -8.595
  309    HB2  GLU  41           HB2      GLU  41  11.012 -10.160  -9.602
  310    HB3  GLU  41           HB1      GLU  41   9.629  -9.620 -10.541
  311    HG2  GLU  41           HG2      GLU  41  10.930  -7.619  -8.798
  312    HG3  GLU  41           HG1      GLU  41  11.820  -8.153 -10.223
  313    H    SER  42           HN       SER  42  10.523  -7.933  -6.903
  314    HA   SER  42           HA       SER  42  11.620 -10.082  -5.228
  315    HB2  SER  42           HB2      SER  42  13.578  -8.442  -4.897
  316    HB3  SER  42           HB1      SER  42  13.461  -9.281  -6.443
  317    HG   SER  42           HG       SER  42  13.810  -6.877  -6.399
  318    H    LEU  43           HN       LEU  43   9.198  -8.567  -4.774
  319    HA   LEU  43           HA       LEU  43   9.888  -6.989  -2.422
  320    HB2  LEU  43           HB2      LEU  43   7.364  -7.386  -3.981
  321    HB3  LEU  43           HB1      LEU  43   7.382  -6.577  -2.425
  322    HG   LEU  43           HG       LEU  43   9.030  -5.678  -4.775
  323   HD11  LEU  43          HD11      LEU  43   6.680  -5.543  -5.309
  324   HD12  LEU  43          HD12      LEU  43   7.352  -3.933  -5.040
  325   HD13  LEU  43          HD13      LEU  43   6.367  -4.701  -3.793
  326   HD21  LEU  43          HD21      LEU  43   9.131  -3.596  -3.454
  327   HD22  LEU  43          HD22      LEU  43   9.897  -4.966  -2.648
  328   HD23  LEU  43          HD23      LEU  43   8.296  -4.424  -2.141
  329    H    ASP  44           HN       ASP  44   8.540  -7.233  -0.514
  330    HA   ASP  44           HA       ASP  44   7.442  -9.916  -0.090
  331    HB2  ASP  44           HB2      ASP  44   9.884  -9.399   0.923
  332    HB3  ASP  44           HB1      ASP  44   8.903  -8.649   2.174
  333    H    THR  45           HN       THR  45   5.685  -9.925   1.299
  334    HA   THR  45           HA       THR  45   4.679  -7.284   2.061
  335    HB   THR  45           HB       THR  45   2.560  -8.654   2.569
  336    HG1  THR  45           HG1      THR  45   3.830 -10.487   0.788
  337   HG21  THR  45          HG21      THR  45   1.918  -8.681   0.164
  338   HG22  THR  45          HG22      THR  45   3.591  -8.278  -0.230
  339   HG23  THR  45          HG23      THR  45   2.613  -7.160   0.720
  340    H    HIS  46           HN       HIS  46   6.282  -9.942   3.299
  341    HA   HIS  46           HA       HIS  46   5.216  -9.571   6.008
  342    HB2  HIS  46           HB2      HIS  46   6.979 -11.722   4.821
  343    HB3  HIS  46           HB1      HIS  46   6.578 -11.621   6.526
  344    HD1  HIS  46           HD1      HIS  46   4.819 -13.230   7.111
  345    HD2  HIS  46           HD2      HIS  46   4.310 -11.700   3.283
  346    HE1  HIS  46           HE1      HIS  46   2.758 -14.349   6.212
  347    HE2  HIS  46           HE2      HIS  46   2.582 -13.553   3.833
  348    H    GLU  47           HN       GLU  47   7.553  -8.315   4.097
  349    HA   GLU  47           HA       GLU  47   9.343  -7.842   6.376
  350    HB2  GLU  47           HB2      GLU  47  11.168  -8.209   5.121
  351    HB3  GLU  47           HB1      GLU  47  10.073  -9.068   4.053
  352    HG2  GLU  47           HG2      GLU  47   9.783  -6.899   2.798
  353    HG3  GLU  47           HG1      GLU  47  11.109  -6.266   3.778
  354    H    SER  48           HN       SER  48  10.197  -5.699   6.526
  355    HA   SER  48           HA       SER  48   8.045  -3.856   5.931
  356    HB2  SER  48           HB2      SER  48  10.564  -3.223   7.461
  357    HB3  SER  48           HB1      SER  48   8.975  -2.476   7.591
  358    HG   SER  48           HG       SER  48   8.594  -5.016   8.090
  359    H    PHE  49           HN       PHE  49   8.286  -1.881   4.924
  360    HA   PHE  49           HA       PHE  49   9.628  -1.818   2.520
  361    HB2  PHE  49           HB2      PHE  49   8.683   0.522   4.156
  362    HB3  PHE  49           HB1      PHE  49   9.138   0.599   2.459
  363    HD1  PHE  49           HD1      PHE  49   7.681  -0.225   0.751
  364    HD2  PHE  49           HD2      PHE  49   6.676  -0.625   4.857
  365    HE1  PHE  49           HE1      PHE  49   5.367  -0.778   0.128
  366    HE2  PHE  49           HE2      PHE  49   4.373  -1.173   4.246
  367    HZ   PHE  49           HZ       PHE  49   3.713  -1.253   1.887
  368    H    LYS  50           HN       LYS  50  10.693  -0.686   5.618
  369    HA   LYS  50           HA       LYS  50  13.010   0.604   5.159
  370    HB2  LYS  50           HB2      LYS  50  12.014  -0.255   7.336
  371    HB3  LYS  50           HB1      LYS  50  12.815  -1.774   6.990
  372    HG2  LYS  50           HG2      LYS  50  14.126  -0.505   8.525
  373    HG3  LYS  50           HG1      LYS  50  14.975  -0.630   6.990
  374    HD2  LYS  50           HD2      LYS  50  15.210   1.610   7.843
  375    HD3  LYS  50           HD1      LYS  50  14.169   1.645   6.420
  376    HE2  LYS  50           HE2      LYS  50  12.205   1.818   7.793
  377    HE3  LYS  50           HE1      LYS  50  13.157   1.581   9.257
  378    HZ1  LYS  50           HZ1      LYS  50  14.274   3.669   8.836
  379    HZ2  LYS  50           HZ2      LYS  50  12.606   3.913   8.900
  380    HZ3  LYS  50           HZ3      LYS  50  13.398   3.894   7.409
  381    H    ASP  51           HN       ASP  51  12.610  -2.902   5.115
  382    HA   ASP  51           HA       ASP  51  15.255  -3.351   4.082
  383    HB2  ASP  51           HB2      ASP  51  13.943  -4.917   5.617
  384    HB3  ASP  51           HB1      ASP  51  13.065  -5.402   4.173
  385    H    LEU  52           HN       LEU  52  12.179  -2.739   2.682
  386    HA   LEU  52           HA       LEU  52  12.736  -3.853   0.111
  387    HB2  LEU  52           HB2      LEU  52  10.747  -1.884   1.161
  388    HB3  LEU  52           HB1      LEU  52  10.918  -2.118  -0.551
  389    HG   LEU  52           HG       LEU  52  10.320  -4.492  -0.301
  390   HD11  LEU  52          HD11      LEU  52   9.366  -5.227   1.851
  391   HD12  LEU  52          HD12      LEU  52   9.993  -3.752   2.586
  392   HD13  LEU  52          HD13      LEU  52  11.105  -4.939   1.905
  393   HD21  LEU  52          HD21      LEU  52   8.534  -2.977  -0.781
  394   HD22  LEU  52          HD22      LEU  52   8.395  -2.546   0.926
  395   HD23  LEU  52          HD23      LEU  52   7.978  -4.177   0.394
  396    H    GLY  53           HN       GLY  53  13.699  -1.100   1.838
  397    HA2  GLY  53           HA2      GLY  53  15.675   0.021   1.119
  398    HA3  GLY  53           HA1      GLY  53  15.145  -0.173  -0.541
  399    H    PHE  54           HN       PHE  54  12.600   0.757   1.544
  400    HA   PHE  54           HA       PHE  54  12.535   3.329   0.299
  401    HB2  PHE  54           HB2      PHE  54  10.741   2.040   2.363
  402    HB3  PHE  54           HB1      PHE  54  10.477   3.648   1.697
  403    HD1  PHE  54           HD1      PHE  54   9.685   3.961  -0.523
  404    HD2  PHE  54           HD2      PHE  54  10.566   0.083   0.951
  405    HE1  PHE  54           HE1      PHE  54   8.486   2.982  -2.420
  406    HE2  PHE  54           HE2      PHE  54   9.382  -0.920  -0.934
  407    HZ   PHE  54           HZ       PHE  54   8.445   0.567  -2.738
  408    H    ASP  55           HN       ASP  55  12.196   5.318   1.502
  409    HA   ASP  55           HA       ASP  55  13.264   5.685   4.106
  410    HB2  ASP  55           HB2      ASP  55  15.323   5.196   2.589
  411    HB3  ASP  55           HB1      ASP  55  15.019   6.804   1.930
  412    H    SER  56           HN       SER  56  14.218   8.407   3.619
  413    HA   SER  56           HA       SER  56  11.643   9.673   3.385
  414    HB2  SER  56           HB2      SER  56  12.980  11.773   3.809
  415    HB3  SER  56           HB1      SER  56  13.142  10.529   5.048
  416    HG   SER  56           HG       SER  56  14.994  11.393   3.124
  417    H    LEU  57           HN       LEU  57  12.439   8.399   1.029
  418    HA   LEU  57           HA       LEU  57  12.380  10.584  -0.893
  419    HB2  LEU  57           HB2      LEU  57  14.111   8.147  -1.141
  420    HB3  LEU  57           HB1      LEU  57  14.035   9.482  -2.274
  421    HG   LEU  57           HG       LEU  57  15.018   9.726   0.563
  422   HD11  LEU  57          HD11      LEU  57  17.271   9.743  -0.383
  423   HD12  LEU  57          HD12      LEU  57  16.604   9.399  -1.979
  424   HD13  LEU  57          HD13      LEU  57  16.452   8.212  -0.685
  425   HD21  LEU  57          HD21      LEU  57  15.979  11.832  -0.249
  426   HD22  LEU  57          HD22      LEU  57  14.223  11.805  -0.397
  427   HD23  LEU  57          HD23      LEU  57  15.232  11.559  -1.821
  428    H    THR  58           HN       THR  58  12.688   7.072  -0.920
  429    HA   THR  58           HA       THR  58  10.911   6.737  -3.096
  430    HB   THR  58           HB       THR  58  11.124   4.254  -2.295
  431    HG1  THR  58           HG1      THR  58  13.426   4.522  -1.102
  432   HG21  THR  58          HG21      THR  58  12.296   5.218  -4.227
  433   HG22  THR  58          HG22      THR  58  13.318   4.086  -3.342
  434   HG23  THR  58          HG23      THR  58  13.556   5.823  -3.152
  435    H    ALA  59           HN       ALA  59  10.599   6.221   0.396
  436    HA   ALA  59           HA       ALA  59   8.066   5.110   0.459
  437    HB1  ALA  59           HB1      ALA  59   9.577   5.422   2.427
  438    HB2  ALA  59           HB2      ALA  59   7.913   5.925   2.730
  439    HB3  ALA  59           HB3      ALA  59   9.160   7.135   2.423
  440    H    LEU  60           HN       LEU  60   9.131   8.391   0.050
  441    HA   LEU  60           HA       LEU  60   6.675   9.688   0.445
  442    HB2  LEU  60           HB2      LEU  60   9.161  10.452  -1.071
  443    HB3  LEU  60           HB1      LEU  60   7.793  11.535  -0.889
  444    HG   LEU  60           HG       LEU  60   9.622  12.017   0.713
  445   HD11  LEU  60          HD11      LEU  60   7.365  12.647   1.291
  446   HD12  LEU  60          HD12      LEU  60   8.243  12.110   2.723
  447   HD13  LEU  60          HD13      LEU  60   7.071  11.042   1.958
  448   HD21  LEU  60          HD21      LEU  60  10.462   9.779   1.100
  449   HD22  LEU  60          HD22      LEU  60   8.931   9.315   1.845
  450   HD23  LEU  60          HD23      LEU  60   9.961  10.516   2.622
  451    H    GLU  61           HN       GLU  61   8.290   8.603  -2.549
  452    HA   GLU  61           HA       GLU  61   6.054   9.442  -4.149
  453    HB2  GLU  61           HB2      GLU  61   7.175   7.972  -5.921
  454    HB3  GLU  61           HB1      GLU  61   8.044   9.402  -5.366
  455    HG2  GLU  61           HG2      GLU  61   9.404   8.014  -3.914
  456    HG3  GLU  61           HG1      GLU  61   8.507   6.588  -4.429
  457    H    LEU  62           HN       LEU  62   6.970   6.501  -2.511
  458    HA   LEU  62           HA       LEU  62   5.020   4.815  -3.703
  459    HB2  LEU  62           HB2      LEU  62   6.786   3.864  -2.370
  460    HB3  LEU  62           HB1      LEU  62   6.252   4.761  -0.962
  461    HG   LEU  62           HG       LEU  62   4.147   3.507  -0.947
  462   HD11  LEU  62          HD11      LEU  62   3.953   1.516  -2.390
  463   HD12  LEU  62          HD12      LEU  62   5.367   2.076  -3.285
  464   HD13  LEU  62          HD13      LEU  62   3.894   3.044  -3.270
  465   HD21  LEU  62          HD21      LEU  62   6.149   2.758   0.285
  466   HD22  LEU  62          HD22      LEU  62   6.534   1.693  -1.067
  467   HD23  LEU  62          HD23      LEU  62   5.046   1.452  -0.147
  468    H    ARG  63           HN       ARG  63   5.049   6.781  -0.783
  469    HA   ARG  63           HA       ARG  63   2.455   6.293   0.116
  470    HB2  ARG  63           HB2      ARG  63   3.964   7.422   1.555
  471    HB3  ARG  63           HB1      ARG  63   4.390   8.603   0.331
  472    HG2  ARG  63           HG2      ARG  63   1.595   8.548   1.347
  473    HG3  ARG  63           HG1      ARG  63   2.864   9.235   2.360
  474    HD2  ARG  63           HD2      ARG  63   2.102  10.095  -0.427
  475    HD3  ARG  63           HD1      ARG  63   1.815  10.981   1.066
  476    HE   ARG  63           HE       ARG  63   4.551  10.422   0.119
  477   HH11  ARG  63          HH11      ARG  63   2.092  12.642   1.250
  478   HH12  ARG  63          HH12      ARG  63   3.126  14.033   1.170
  479   HH21  ARG  63          HH21      ARG  63   5.909  12.276  -0.021
  480   HH22  ARG  63          HH22      ARG  63   5.292  13.823   0.451
  481    H    ASP  64           HN       ASP  64   3.838   8.644  -2.086
  482    HA   ASP  64           HA       ASP  64   1.560   9.989  -2.913
  483    HB2  ASP  64           HB2      ASP  64   3.990  10.499  -3.409
  484    HB3  ASP  64           HB1      ASP  64   3.889   9.276  -4.665
  485    H    HIS  65           HN       HIS  65   3.017   6.988  -4.098
  486    HA   HIS  65           HA       HIS  65   1.285   6.518  -6.253
  487    HB2  HIS  65           HB2      HIS  65   2.852   4.651  -4.519
  488    HB3  HIS  65           HB1      HIS  65   1.925   4.106  -5.893
  489    HD1  HIS  65           HD1      HIS  65   2.921   6.692  -7.683
  490    HD2  HIS  65           HD2      HIS  65   5.185   3.882  -5.662
  491    HE1  HIS  65           HE1      HIS  65   5.200   6.722  -8.769
  492    HE2  HIS  65           HE2      HIS  65   6.479   4.890  -7.656
  493    H    LEU  66           HN       LEU  66   1.048   5.582  -2.817
  494    HA   LEU  66           HA       LEU  66  -1.111   3.793  -3.201
  495    HB2  LEU  66           HB2      LEU  66   0.054   5.219  -0.863
  496    HB3  LEU  66           HB1      LEU  66  -1.463   4.369  -0.677
  497    HG   LEU  66           HG       LEU  66  -0.494   2.288  -0.863
  498   HD11  LEU  66          HD11      LEU  66   1.849   3.533  -2.288
  499   HD12  LEU  66          HD12      LEU  66   0.547   2.614  -3.043
  500   HD13  LEU  66          HD13      LEU  66   1.652   1.819  -1.924
  501   HD21  LEU  66          HD21      LEU  66   1.625   2.323   0.408
  502   HD22  LEU  66          HD22      LEU  66   0.358   3.321   1.118
  503   HD23  LEU  66          HD23      LEU  66   1.667   4.076   0.211
  504    H    GLN  67           HN       GLN  67  -0.979   7.205  -2.415
  505    HA   GLN  67           HA       GLN  67  -3.795   7.496  -1.962
  506    HB2  GLN  67           HB2      GLN  67  -1.961   9.706  -2.828
  507    HB3  GLN  67           HB1      GLN  67  -3.371   9.800  -1.778
  508    HG2  GLN  67           HG2      GLN  67  -2.259   8.873   0.017
  509    HG3  GLN  67           HG1      GLN  67  -1.031   8.154  -1.029
  510   HE21  GLN  67          HE21      GLN  67  -0.467  10.430  -2.565
  511   HE22  GLN  67          HE22      GLN  67   0.385  11.537  -1.563
  512    H    THR  68           HN       THR  68  -1.635   7.804  -4.688
  513    HA   THR  68           HA       THR  68  -3.473   8.790  -6.546
  514    HB   THR  68           HB       THR  68  -0.873   7.333  -6.552
  515    HG1  THR  68           HG1      THR  68  -0.365   9.366  -6.337
  516   HG21  THR  68          HG21      THR  68  -2.055   6.493  -8.515
  517   HG22  THR  68          HG22      THR  68  -0.703   7.527  -8.969
  518   HG23  THR  68          HG23      THR  68  -2.352   8.148  -9.049
  519    H    ALA  69           HN       ALA  69  -2.266   5.618  -5.790
  520    HA   ALA  69           HA       ALA  69  -3.806   4.052  -7.448
  521    HB1  ALA  69           HB1      ALA  69  -3.258   2.239  -5.892
  522    HB2  ALA  69           HB2      ALA  69  -2.671   3.447  -4.745
  523    HB3  ALA  69           HB3      ALA  69  -1.867   3.245  -6.300
  524    H    THR  70           HN       THR  70  -4.451   4.917  -4.050
  525    HA   THR  70           HA       THR  70  -6.949   3.427  -4.152
  526    HB   THR  70           HB       THR  70  -7.109   3.846  -1.750
  527    HG1  THR  70           HG1      THR  70  -4.632   5.220  -1.822
  528   HG21  THR  70          HG21      THR  70  -4.263   3.174  -2.494
  529   HG22  THR  70          HG22      THR  70  -5.614   2.040  -2.587
  530   HG23  THR  70          HG23      THR  70  -5.116   2.694  -1.027
  531    H    GLY  71           HN       GLY  71  -5.792   6.691  -3.951
  532    HA2  GLY  71           HA2      GLY  71  -6.959   8.634  -4.515
  533    HA3  GLY  71           HA1      GLY  71  -8.464   7.722  -4.472
  534    H    LEU  72           HN       LEU  72  -6.609   6.995  -1.830
  535    HA   LEU  72           HA       LEU  72  -8.333   8.601  -0.094
  536    HB2  LEU  72           HB2      LEU  72  -6.733   6.081   0.258
  537    HB3  LEU  72           HB1      LEU  72  -7.291   6.985   1.649
  538    HG   LEU  72           HG       LEU  72  -8.748   5.074   1.101
  539   HD11  LEU  72          HD11      LEU  72 -10.873   6.266   1.182
  540   HD12  LEU  72          HD12      LEU  72 -10.056   7.760   0.725
  541   HD13  LEU  72          HD13      LEU  72  -9.684   6.983   2.266
  542   HD21  LEU  72          HD21      LEU  72  -8.497   5.043  -1.315
  543   HD22  LEU  72          HD22      LEU  72  -9.359   6.574  -1.433
  544   HD23  LEU  72          HD23      LEU  72 -10.194   5.134  -0.853
  545    H    ASN  73           HN       ASN  73  -6.800   8.622   2.201
  546    HA   ASN  73           HA       ASN  73  -4.720  10.527   1.373
  547    HB2  ASN  73           HB2      ASN  73  -6.732  11.628   2.273
  548    HB3  ASN  73           HB1      ASN  73  -6.557  10.711   3.766
  549   HD21  ASN  73          HD21      ASN  73  -5.175  13.225   1.778
  550   HD22  ASN  73          HD22      ASN  73  -4.183  13.925   3.013
  551    H    LEU  74           HN       LEU  74  -2.861   9.485   1.726
  552    HA   LEU  74           HA       LEU  74  -2.515   8.105   4.271
  553    HB2  LEU  74           HB2      LEU  74  -0.978   7.861   1.692
  554    HB3  LEU  74           HB1      LEU  74  -0.576   7.013   3.179
  555    HG   LEU  74           HG       LEU  74  -3.045   6.136   2.987
  556   HD11  LEU  74          HD11      LEU  74  -2.410   6.686   0.088
  557   HD12  LEU  74          HD12      LEU  74  -3.622   7.548   1.036
  558   HD13  LEU  74          HD13      LEU  74  -3.821   5.825   0.715
  559   HD21  LEU  74          HD21      LEU  74  -0.669   5.197   1.428
  560   HD22  LEU  74          HD22      LEU  74  -2.165   4.276   1.538
  561   HD23  LEU  74          HD23      LEU  74  -1.247   4.640   3.000
  562    H    SER  75           HN       SER  75   0.486   8.248   4.119
  563    HA   SER  75           HA       SER  75   0.821  11.076   4.768
  564    HB2  SER  75           HB2      SER  75  -0.185   9.908   6.784
  565    HB3  SER  75           HB1      SER  75   1.309   8.980   6.893
  566    HG   SER  75           HG       SER  75   2.312  10.672   7.669
  567    H    SER  76           HN       SER  76   3.124  11.605   5.360
  568    HA   SER  76           HA       SER  76   4.830  10.610   3.402
  569    HB2  SER  76           HB2      SER  76   5.554  12.047   5.962
  570    HB3  SER  76           HB1      SER  76   6.636  11.821   4.589
  571    HG   SER  76           HG       SER  76   4.378  13.461   4.840
  572    H    THR  77           HN       THR  77   4.639   9.665   6.820
  573    HA   THR  77           HA       THR  77   6.843   7.765   6.408
  574    HB   THR  77           HB       THR  77   6.704   7.531   8.938
  575    HG1  THR  77           HG1      THR  77   5.676   9.844   9.559
  576   HG21  THR  77          HG21      THR  77   8.429   8.850   7.825
  577   HG22  THR  77          HG22      THR  77   7.925   9.624   9.328
  578   HG23  THR  77          HG23      THR  77   7.346  10.240   7.780
  579    H    LEU  78           HN       LEU  78   4.193   7.516   5.408
  580    HA   LEU  78           HA       LEU  78   2.335   6.003   6.689
  581    HB2  LEU  78           HB2      LEU  78   2.238   7.032   4.445
  582    HB3  LEU  78           HB1      LEU  78   3.286   5.779   3.851
  583    HG   LEU  78           HG       LEU  78   0.677   5.754   3.496
  584   HD11  LEU  78          HD11      LEU  78   2.097   4.227   2.425
  585   HD12  LEU  78          HD12      LEU  78   0.854   3.284   3.264
  586   HD13  LEU  78          HD13      LEU  78   2.476   3.407   3.949
  587   HD21  LEU  78          HD21      LEU  78  -0.232   4.027   5.132
  588   HD22  LEU  78          HD22      LEU  78  -0.111   5.700   5.673
  589   HD23  LEU  78          HD23      LEU  78   1.098   4.520   6.185
  590    H    ILE  79           HN       ILE  79   4.904   4.666   4.641
  591    HA   ILE  79           HA       ILE  79   4.367   1.967   5.478
  592    HB   ILE  79           HB       ILE  79   6.155   1.363   3.987
  593   HG12  ILE  79          HG12      ILE  79   6.780   4.304   4.006
  594   HG13  ILE  79          HG11      ILE  79   7.845   2.971   4.441
  595   HG21  ILE  79          HG21      ILE  79   5.387   2.438   1.925
  596   HG22  ILE  79          HG22      ILE  79   4.492   3.620   2.886
  597   HG23  ILE  79          HG23      ILE  79   4.046   1.910   2.943
  598   HD11  ILE  79          HD11      ILE  79   6.871   3.783   1.735
  599   HD12  ILE  79          HD12      ILE  79   7.636   2.220   2.043
  600   HD13  ILE  79          HD13      ILE  79   8.532   3.714   2.326
  601    H    PHE  80           HN       PHE  80   5.766   4.261   7.210
  602    HA   PHE  80           HA       PHE  80   7.624   2.355   8.457
  603    HB2  PHE  80           HB2      PHE  80   7.764   5.377   8.438
  604    HB3  PHE  80           HB1      PHE  80   8.853   4.324   9.335
  605    HD1  PHE  80           HD1      PHE  80   9.033   6.377   6.793
  606    HD2  PHE  80           HD2      PHE  80   9.394   2.187   7.429
  607    HE1  PHE  80           HE1      PHE  80  10.519   6.228   4.837
  608    HE2  PHE  80           HE2      PHE  80  10.866   2.013   5.472
  609    HZ   PHE  80           HZ       PHE  80  11.325   3.975   4.095
  610    H    ASP  81           HN       ASP  81   4.818   4.137   8.629
  611    HA   ASP  81           HA       ASP  81   4.465   3.918  11.489
  612    HB2  ASP  81           HB2      ASP  81   3.250   5.398   9.424
  613    HB3  ASP  81           HB1      ASP  81   2.044   4.232   9.945
  614    H    HIS  82           HN       HIS  82   3.563   2.438   8.494
  615    HA   HIS  82           HA       HIS  82   2.599   0.052   9.886
  616    HB2  HIS  82           HB2      HIS  82   1.769   0.977   7.125
  617    HB3  HIS  82           HB1      HIS  82   1.038  -0.293   8.092
  618    HD1  HIS  82           HD1      HIS  82  -0.477   0.446  10.091
  619    HD2  HIS  82           HD2      HIS  82   0.987   3.567   7.758
  620    HE1  HIS  82           HE1      HIS  82  -1.726   2.495  10.844
  621    HE2  HIS  82           HE2      HIS  82  -0.669   4.399   9.571
  622    HA   PRO  83           HA       PRO  83   6.586  -0.939   8.519
  623    HB2  PRO  83           HB2      PRO  83   6.551  -3.621   9.124
  624    HB3  PRO  83           HB1      PRO  83   6.778  -2.332  10.311
  625    HG2  PRO  83           HG2      PRO  83   4.272  -3.822   9.588
  626    HG3  PRO  83           HG1      PRO  83   4.888  -3.373  11.194
  627    HD2  PRO  83           HD2      PRO  83   2.946  -1.954  10.011
  628    HD3  PRO  83           HD1      PRO  83   4.203  -1.162  10.969
  629    H    THR  84           HN       THR  84   4.025  -3.133   7.378
  630    HA   THR  84           HA       THR  84   5.747  -3.757   5.091
  631    HB   THR  84           HB       THR  84   4.663  -5.965   5.037
  632    HG1  THR  84           HG1      THR  84   3.565  -6.411   7.222
  633   HG21  THR  84          HG21      THR  84   6.780  -5.735   6.221
  634   HG22  THR  84          HG22      THR  84   5.742  -6.902   7.042
  635   HG23  THR  84          HG23      THR  84   5.924  -5.271   7.692
  636    HA   PRO  85           HA       PRO  85   2.447  -2.612   2.331
  637    HB2  PRO  85           HB2      PRO  85   2.828  -5.243   1.028
  638    HB3  PRO  85           HB1      PRO  85   2.928  -3.631   0.325
  639    HG2  PRO  85           HG2      PRO  85   5.115  -5.122   0.768
  640    HG3  PRO  85           HG1      PRO  85   5.129  -3.356   0.928
  641    HD2  PRO  85           HD2      PRO  85   5.091  -5.445   3.041
  642    HD3  PRO  85           HD1      PRO  85   5.866  -3.855   3.044
  643    H    HIS  86           HN       HIS  86   2.622  -5.460   4.129
  644    HA   HIS  86           HA       HIS  86  -0.084  -6.352   3.755
  645    HB2  HIS  86           HB2      HIS  86   1.279  -8.063   4.476
  646    HB3  HIS  86           HB1      HIS  86   2.237  -7.018   5.496
  647    HD1  HIS  86           HD1      HIS  86  -0.304  -9.579   5.661
  648    HD2  HIS  86           HD2      HIS  86   0.808  -6.314   7.985
  649    HE1  HIS  86           HE1      HIS  86  -1.245 -10.032   7.946
  650    HE2  HIS  86           HE2      HIS  86  -0.739  -7.948   9.267
  651    H    ALA  87           HN       ALA  87   1.717  -4.534   6.172
  652    HA   ALA  87           HA       ALA  87  -0.526  -4.036   7.870
  653    HB1  ALA  87           HB1      ALA  87   2.133  -2.614   7.746
  654    HB2  ALA  87           HB2      ALA  87   1.803  -4.065   8.697
  655    HB3  ALA  87           HB3      ALA  87   0.979  -2.555   9.080
  656    H    VAL  88           HN       VAL  88   0.828  -2.631   5.121
  657    HA   VAL  88           HA       VAL  88  -0.381  -0.031   5.488
  658    HB   VAL  88           HB       VAL  88   1.177  -1.270   3.243
  659   HG11  VAL  88          HG11      VAL  88  -0.369   0.248   2.255
  660   HG12  VAL  88          HG12      VAL  88   1.226   1.007   2.262
  661   HG13  VAL  88          HG13      VAL  88   0.013   1.487   3.450
  662   HG21  VAL  88          HG21      VAL  88   2.509  -0.757   5.190
  663   HG22  VAL  88          HG22      VAL  88   1.873   0.892   5.220
  664   HG23  VAL  88          HG23      VAL  88   2.896   0.364   3.884
  665    H    ALA  89           HN       ALA  89  -0.811  -2.866   3.425
  666    HA   ALA  89           HA       ALA  89  -2.900  -1.806   1.886
  667    HB1  ALA  89           HB1      ALA  89  -3.488  -4.133   1.364
  668    HB2  ALA  89           HB2      ALA  89  -2.366  -4.682   2.614
  669    HB3  ALA  89           HB3      ALA  89  -1.763  -3.817   1.201
  670    H    GLU  90           HN       GLU  90  -2.941  -3.562   5.016
  671    HA   GLU  90           HA       GLU  90  -5.815  -3.495   5.077
  672    HB2  GLU  90           HB2      GLU  90  -5.510  -4.171   7.475
  673    HB3  GLU  90           HB1      GLU  90  -4.774  -5.244   6.291
  674    HG2  GLU  90           HG2      GLU  90  -2.608  -4.273   6.721
  675    HG3  GLU  90           HG1      GLU  90  -3.317  -3.154   7.882
  676    H    HIS  91           HN       HIS  91  -3.241  -1.403   5.995
  677    HA   HIS  91           HA       HIS  91  -4.722   0.418   7.534
  678    HB2  HIS  91           HB2      HIS  91  -2.368   0.600   7.652
  679    HB3  HIS  91           HB1      HIS  91  -2.208   0.676   5.896
  680    HD1  HIS  91           HD1      HIS  91  -3.532   2.786   8.782
  681    HD2  HIS  91           HD2      HIS  91  -2.192   3.152   4.863
  682    HE1  HIS  91           HE1      HIS  91  -3.408   5.259   8.341
  683    HE2  HIS  91           HE2      HIS  91  -2.672   5.469   5.945
  684    H    LEU  92           HN       LEU  92  -4.524  -0.227   4.155
  685    HA   LEU  92           HA       LEU  92  -5.683   2.250   3.332
  686    HB2  LEU  92           HB2      LEU  92  -4.850  -0.277   2.018
  687    HB3  LEU  92           HB1      LEU  92  -6.075   0.685   1.202
  688    HG   LEU  92           HG       LEU  92  -4.629   2.465   0.828
  689   HD11  LEU  92          HD11      LEU  92  -3.757   3.013   2.913
  690   HD12  LEU  92          HD12      LEU  92  -2.334   2.513   1.994
  691   HD13  LEU  92          HD13      LEU  92  -3.068   1.406   3.150
  692   HD21  LEU  92          HD21      LEU  92  -2.841   0.049   0.792
  693   HD22  LEU  92          HD22      LEU  92  -2.580   1.549  -0.098
  694   HD23  LEU  92          HD23      LEU  92  -3.964   0.523  -0.482
  695    H    LEU  93           HN       LEU  93  -6.858  -0.542   4.738
  696    HA   LEU  93           HA       LEU  93  -9.557  -0.403   3.714
  697    HB2  LEU  93           HB2      LEU  93  -8.335  -1.854   6.037
  698    HB3  LEU  93           HB1      LEU  93 -10.058  -1.865   5.733
  699    HG   LEU  93           HG       LEU  93  -9.847  -3.219   3.852
  700   HD11  LEU  93          HD11      LEU  93  -7.680  -3.702   2.756
  701   HD12  LEU  93          HD12      LEU  93  -6.922  -2.489   3.798
  702   HD13  LEU  93          HD13      LEU  93  -8.162  -2.009   2.636
  703   HD21  LEU  93          HD21      LEU  93  -7.628  -4.035   5.714
  704   HD22  LEU  93          HD22      LEU  93  -8.469  -5.087   4.573
  705   HD23  LEU  93          HD23      LEU  93  -9.345  -4.384   5.932
  706    H    GLU  94           HN       GLU  94  -7.674   0.762   6.310
  707    HA   GLU  94           HA       GLU  94  -9.589   1.710   8.087
  708    HB2  GLU  94           HB2      GLU  94  -6.825   2.634   7.351
  709    HB3  GLU  94           HB1      GLU  94  -7.725   3.331   8.701
  710    HG2  GLU  94           HG2      GLU  94  -6.916   0.445   8.395
  711    HG3  GLU  94           HG1      GLU  94  -6.141   1.634   9.438
  712    H    GLN  95           HN       GLN  95  -8.444   2.915   5.057
  713    HA   GLN  95           HA       GLN  95  -9.467   5.582   5.362
  714    HB2  GLN  95           HB2      GLN  95  -8.618   4.243   2.809
  715    HB3  GLN  95           HB1      GLN  95  -8.459   5.933   3.263
  716    HG2  GLN  95           HG2      GLN  95  -6.968   3.706   4.609
  717    HG3  GLN  95           HG1      GLN  95  -6.334   4.618   3.250
  718   HE21  GLN  95          HE21      GLN  95  -5.439   4.338   6.009
  719   HE22  GLN  95          HE22      GLN  95  -5.325   5.945   6.642
  720    H    ILE  96           HN       ILE  96 -10.652   2.550   4.418
  721    HA   ILE  96           HA       ILE  96 -12.371   3.329   2.296
  722    HB   ILE  96           HB       ILE  96 -12.164   0.793   3.890
  723   HG12  ILE  96          HG12      ILE  96 -10.101   1.565   2.837
  724   HG13  ILE  96          HG11      ILE  96 -10.676   0.078   2.124
  725   HG21  ILE  96          HG21      ILE  96 -14.276   1.019   2.570
  726   HG22  ILE  96          HG22      ILE  96 -13.255  -0.352   2.139
  727   HG23  ILE  96          HG23      ILE  96 -13.269   1.087   1.122
  728   HD11  ILE  96          HD11      ILE  96 -11.466   1.253   0.188
  729   HD12  ILE  96          HD12      ILE  96  -9.793   1.736   0.495
  730   HD13  ILE  96          HD13      ILE  96 -11.123   2.808   0.945
  731    HA   PRO  97           HA       PRO  97 -15.832   4.741   4.492
  732    HB2  PRO  97           HB2      PRO  97 -17.635   4.713   2.543
  733    HB3  PRO  97           HB1      PRO  97 -16.190   5.728   2.431
  734    HG2  PRO  97           HG2      PRO  97 -16.651   2.997   1.273
  735    HG3  PRO  97           HG1      PRO  97 -16.076   4.454   0.451
  736    HD2  PRO  97           HD2      PRO  97 -14.388   2.574   1.346
  737    HD3  PRO  97           HD1      PRO  97 -13.978   4.287   1.376
  738    H    GLY  98           HN       GLY  98 -16.066   2.870   5.976
  739    HA2  GLY  98           HA2      GLY  98 -17.720   1.711   7.118
  740    HA3  GLY  98           HA1      GLY  98 -18.763   1.889   5.721
  741    H    ILE  99           HN       ILE  99 -17.724   0.611   3.749
  742    HA   ILE  99           HA       ILE  99 -18.084  -2.102   4.162
  743    HB   ILE  99           HB       ILE  99 -16.500  -2.191   1.999
  744   HG12  ILE  99          HG12      ILE  99 -17.622   0.549   1.662
  745   HG13  ILE  99          HG11      ILE  99 -16.137   0.379   2.588
  746   HG21  ILE  99          HG21      ILE  99 -19.309  -1.096   2.052
  747   HG22  ILE  99          HG22      ILE  99 -18.851  -2.799   2.058
  748   HG23  ILE  99          HG23      ILE  99 -18.505  -1.800   0.648
  749   HD11  ILE  99          HD11      ILE  99 -15.077  -0.707   0.692
  750   HD12  ILE  99          HD12      ILE  99 -15.670   0.909   0.284
  751   HD13  ILE  99          HD13      ILE  99 -16.564  -0.524  -0.248
  752    H    GLY 100           HN       GLY 100 -15.146  -0.209   4.390
  753    HA2  GLY 100           HA2      GLY 100 -13.580  -2.636   4.868
  754    HA3  GLY 100           HA1      GLY 100 -12.935  -1.047   4.466
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -4.768  12.411  -1.502
    2    H2   GLY   1           HT2      GLY   1  -5.439  13.698  -2.369
    3    H3   GLY   1           HT3      GLY   1  -5.618  12.119  -2.935
    4    HA2  GLY   1           HA1      GLY   1  -6.969  11.543  -1.029
    5    HA3  GLY   1           HA2      GLY   1  -6.765  13.179  -0.417
    6    H    SER   2           HN       SER   2  -9.194  12.920  -0.484
    7    HA   SER   2           HA       SER   2 -11.206  13.546  -1.321
    8    HB2  SER   2           HB2      SER   2  -9.551  15.029  -3.378
    9    HB3  SER   2           HB1      SER   2 -11.243  15.335  -2.987
   10    HG   SER   2           HG       SER   2  -9.794  15.377  -0.735
   11    H    THR   3           HN       THR   3 -10.286  11.049  -2.106
   12    HA   THR   3           HA       THR   3 -11.889  10.584  -4.458
   13    HB   THR   3           HB       THR   3  -8.941   9.861  -4.484
   14    HG1  THR   3           HG1      THR   3 -10.322  12.043  -5.402
   15   HG21  THR   3          HG21      THR   3 -11.035   9.457  -6.622
   16   HG22  THR   3          HG22      THR   3 -10.372   8.182  -5.598
   17   HG23  THR   3          HG23      THR   3  -9.328   9.033  -6.738
   18    H    ALA   4           HN       ALA   4 -12.450   8.313  -4.635
   19    HA   ALA   4           HA       ALA   4 -11.278   6.383  -2.867
   20    HB1  ALA   4           HB1      ALA   4 -14.106   7.253  -2.254
   21    HB2  ALA   4           HB2      ALA   4 -12.693   7.643  -1.272
   22    HB3  ALA   4           HB3      ALA   4 -13.202   5.964  -1.457
   23    H    THR   5           HN       THR   5 -14.239   7.173  -4.672
   24    HA   THR   5           HA       THR   5 -15.243   4.681  -5.192
   25    HB   THR   5           HB       THR   5 -15.172   6.879  -7.255
   26    HG1  THR   5           HG1      THR   5 -16.928   6.591  -5.017
   27   HG21  THR   5          HG21      THR   5 -17.405   6.035  -7.825
   28   HG22  THR   5          HG22      THR   5 -17.253   4.792  -6.583
   29   HG23  THR   5          HG23      THR   5 -16.186   4.769  -7.988
   30    H    LEU   6           HN       LEU   6 -12.466   6.146  -6.650
   31    HA   LEU   6           HA       LEU   6 -12.000   4.484  -8.809
   32    HB2  LEU   6           HB2      LEU   6 -10.574   6.345  -8.473
   33    HB3  LEU   6           HB1      LEU   6 -10.153   5.823  -6.854
   34    HG   LEU   6           HG       LEU   6  -8.858   3.956  -7.780
   35   HD11  LEU   6          HD11      LEU   6  -9.537   5.160 -10.465
   36   HD12  LEU   6          HD12      LEU   6 -10.134   3.625  -9.840
   37   HD13  LEU   6          HD13      LEU   6  -8.416   3.830 -10.174
   38   HD21  LEU   6          HD21      LEU   6  -7.028   5.279  -8.660
   39   HD22  LEU   6          HD22      LEU   6  -7.806   6.128  -7.323
   40   HD23  LEU   6          HD23      LEU   6  -8.125   6.621  -8.985
   41    H    LEU   7           HN       LEU   7 -10.492   4.055  -5.603
   42    HA   LEU   7           HA       LEU   7  -9.995   1.276  -6.213
   43    HB2  LEU   7           HB2      LEU   7  -8.841   3.200  -4.527
   44    HB3  LEU   7           HB1      LEU   7  -9.519   1.974  -3.468
   45    HG   LEU   7           HG       LEU   7  -7.142   1.541  -4.073
   46   HD11  LEU   7          HD11      LEU   7  -7.475  -0.813  -4.400
   47   HD12  LEU   7          HD12      LEU   7  -9.085  -0.535  -5.079
   48   HD13  LEU   7          HD13      LEU   7  -8.777  -0.198  -3.375
   49   HD21  LEU   7          HD21      LEU   7  -8.230   0.844  -6.794
   50   HD22  LEU   7          HD22      LEU   7  -6.547   0.846  -6.264
   51   HD23  LEU   7          HD23      LEU   7  -7.420   2.371  -6.447
   52    H    THR   8           HN       THR   8 -12.185   3.140  -4.305
   53    HA   THR   8           HA       THR   8 -13.130   1.197  -2.534
   54    HB   THR   8           HB       THR   8 -14.349   3.672  -3.687
   55    HG1  THR   8           HG1      THR   8 -12.607   3.650  -2.062
   56   HG21  THR   8          HG21      THR   8 -16.246   2.234  -3.233
   57   HG22  THR   8          HG22      THR   8 -16.150   3.486  -1.994
   58   HG23  THR   8          HG23      THR   8 -15.605   1.849  -1.640
   59    H    SER   9           HN       SER   9 -13.933   1.813  -5.887
   60    HA   SER   9           HA       SER   9 -16.202   0.145  -6.056
   61    HB2  SER   9           HB2      SER   9 -14.188   1.146  -8.055
   62    HB3  SER   9           HB1      SER   9 -15.465   0.020  -8.538
   63    HG   SER   9           HG       SER   9 -15.601   2.695  -7.773
   64    H    LYS  10           HN       LYS  10 -12.759  -0.469  -6.114
   65    HA   LYS  10           HA       LYS  10 -12.846  -3.204  -6.803
   66    HB2  LYS  10           HB2      LYS  10 -10.776  -1.696  -6.707
   67    HB3  LYS  10           HB1      LYS  10 -10.842  -1.900  -4.959
   68    HG2  LYS  10           HG2      LYS  10  -9.268  -3.453  -5.669
   69    HG3  LYS  10           HG1      LYS  10 -10.733  -4.394  -5.403
   70    HD2  LYS  10           HD2      LYS  10  -9.966  -3.337  -8.107
   71    HD3  LYS  10           HD1      LYS  10  -9.397  -4.900  -7.516
   72    HE2  LYS  10           HE2      LYS  10 -11.945  -5.326  -7.085
   73    HE3  LYS  10           HE1      LYS  10 -12.156  -4.023  -8.252
   74    HZ1  LYS  10           HZ1      LYS  10 -10.891  -5.257  -9.865
   75    HZ2  LYS  10           HZ2      LYS  10 -12.181  -6.198  -9.309
   76    HZ3  LYS  10           HZ3      LYS  10 -10.614  -6.502  -8.755
   77    H    LEU  11           HN       LEU  11 -12.431  -1.645  -3.641
   78    HA   LEU  11           HA       LEU  11 -12.472  -4.021  -2.162
   79    HB2  LEU  11           HB2      LEU  11 -13.258  -1.272  -1.216
   80    HB3  LEU  11           HB1      LEU  11 -12.891  -2.633  -0.184
   81    HG   LEU  11           HG       LEU  11 -10.894  -1.546  -0.081
   82   HD11  LEU  11          HD11      LEU  11 -10.536  -3.780  -1.064
   83   HD12  LEU  11          HD12      LEU  11  -9.277  -2.619  -1.498
   84   HD13  LEU  11          HD13      LEU  11 -10.534  -3.037  -2.669
   85   HD21  LEU  11          HD21      LEU  11 -11.032  -0.730  -2.970
   86   HD22  LEU  11          HD22      LEU  11  -9.989  -0.086  -1.695
   87   HD23  LEU  11          HD23      LEU  11 -11.722   0.239  -1.665
   88    H    ALA  12           HN       ALA  12 -15.049  -2.069  -3.370
   89    HA   ALA  12           HA       ALA  12 -17.198  -2.944  -1.846
   90    HB1  ALA  12           HB1      ALA  12 -17.366  -1.164  -3.495
   91    HB2  ALA  12           HB2      ALA  12 -18.566  -2.415  -3.826
   92    HB3  ALA  12           HB3      ALA  12 -17.093  -2.323  -4.797
   93    H    GLY  13           HN       GLY  13 -15.379  -4.574  -4.323
   94    HA2  GLY  13           HA2      GLY  13 -17.311  -6.737  -4.564
   95    HA3  GLY  13           HA1      GLY  13 -15.800  -6.571  -5.451
   96    H    LEU  14           HN       LEU  14 -14.752  -5.980  -2.496
   97    HA   LEU  14           HA       LEU  14 -14.096  -8.799  -2.025
   98    HB2  LEU  14           HB2      LEU  14 -12.668  -6.283  -1.287
   99    HB3  LEU  14           HB1      LEU  14 -12.202  -7.834  -0.695
  100    HG   LEU  14           HG       LEU  14 -10.758  -7.763  -2.381
  101   HD11  LEU  14          HD11      LEU  14 -11.546  -8.820  -4.407
  102   HD12  LEU  14          HD12      LEU  14 -13.215  -8.440  -3.969
  103   HD13  LEU  14          HD13      LEU  14 -12.275  -9.561  -2.977
  104   HD21  LEU  14          HD21      LEU  14 -12.638  -5.915  -3.809
  105   HD22  LEU  14          HD22      LEU  14 -11.018  -6.349  -4.355
  106   HD23  LEU  14          HD23      LEU  14 -11.234  -5.461  -2.842
  107    H    THR  15           HN       THR  15 -13.551  -9.314   0.172
  108    HA   THR  15           HA       THR  15 -15.179  -7.970   2.204
  109    HB   THR  15           HB       THR  15 -14.806  -9.952   3.546
  110    HG1  THR  15           HG1      THR  15 -13.449 -11.667   2.528
  111   HG21  THR  15          HG21      THR  15 -15.292 -10.743   0.667
  112   HG22  THR  15          HG22      THR  15 -16.519 -10.179   1.807
  113   HG23  THR  15          HG23      THR  15 -15.703 -11.719   2.081
  114    H    ALA  16           HN       ALA  16 -13.892  -7.697   4.368
  115    HA   ALA  16           HA       ALA  16 -11.823  -5.925   4.017
  116    HB1  ALA  16           HB1      ALA  16 -12.155  -7.761   6.389
  117    HB2  ALA  16           HB2      ALA  16 -13.029  -6.253   6.135
  118    HB3  ALA  16           HB3      ALA  16 -11.281  -6.228   6.365
  119    H    THR  17           HN       THR  17 -11.615  -9.416   4.282
  120    HA   THR  17           HA       THR  17  -8.785  -9.509   4.463
  121    HB   THR  17           HB       THR  17 -10.828 -11.623   3.765
  122    HG1  THR  17           HG1      THR  17 -10.068 -10.497   6.066
  123   HG21  THR  17          HG21      THR  17  -8.663 -12.199   2.799
  124   HG22  THR  17          HG22      THR  17  -9.061 -13.261   4.151
  125   HG23  THR  17          HG23      THR  17  -7.894 -11.957   4.367
  126    H    GLU  18           HN       GLU  18 -11.051  -9.837   1.689
  127    HA   GLU  18           HA       GLU  18  -8.890 -10.285  -0.093
  128    HB2  GLU  18           HB2      GLU  18 -11.751  -9.512  -0.565
  129    HB3  GLU  18           HB1      GLU  18 -10.609  -9.971  -1.807
  130    HG2  GLU  18           HG2      GLU  18 -10.410 -12.177  -0.809
  131    HG3  GLU  18           HG1      GLU  18 -11.537 -11.700   0.455
  132    H    GLN  19           HN       GLN  19 -10.638  -7.523   1.113
  133    HA   GLN  19           HA       GLN  19  -9.749  -5.582  -0.718
  134    HB2  GLN  19           HB2      GLN  19 -10.457  -5.355   2.201
  135    HB3  GLN  19           HB1      GLN  19 -10.291  -3.994   1.105
  136    HG2  GLN  19           HG2      GLN  19 -12.137  -4.744  -0.185
  137    HG3  GLN  19           HG1      GLN  19 -12.234  -6.232   0.728
  138   HE21  GLN  19          HE21      GLN  19 -14.284  -4.318   0.289
  139   HE22  GLN  19          HE22      GLN  19 -14.767  -3.739   1.849
  140    H    ARG  20           HN       ARG  20  -8.517  -6.666   2.413
  141    HA   ARG  20           HA       ARG  20  -6.210  -5.076   2.420
  142    HB2  ARG  20           HB2      ARG  20  -5.442  -6.415   4.178
  143    HB3  ARG  20           HB1      ARG  20  -7.189  -6.342   4.328
  144    HG2  ARG  20           HG2      ARG  20  -7.391  -8.453   3.231
  145    HG3  ARG  20           HG1      ARG  20  -5.628  -8.552   3.140
  146    HD2  ARG  20           HD2      ARG  20  -5.577  -8.315   5.645
  147    HD3  ARG  20           HD1      ARG  20  -7.323  -8.511   5.617
  148    HE   ARG  20           HE       ARG  20  -5.983 -10.638   4.268
  149   HH11  ARG  20          HH11      ARG  20  -6.953  -9.439   7.409
  150   HH12  ARG  20          HH12      ARG  20  -6.908 -11.000   8.164
  151   HH21  ARG  20          HH21      ARG  20  -5.903 -12.695   5.256
  152   HH22  ARG  20          HH22      ARG  20  -6.294 -12.853   6.938
  153    H    ALA  21           HN       ALA  21  -6.989  -8.109   0.978
  154    HA   ALA  21           HA       ALA  21  -4.339  -8.853   0.273
  155    HB1  ALA  21           HB1      ALA  21  -6.177 -10.469   0.488
  156    HB2  ALA  21           HB2      ALA  21  -5.351 -10.583  -1.067
  157    HB3  ALA  21           HB3      ALA  21  -6.918  -9.783  -0.958
  158    H    VAL  22           HN       VAL  22  -6.915  -7.212  -1.508
  159    HA   VAL  22           HA       VAL  22  -5.591  -7.361  -4.002
  160    HB   VAL  22           HB       VAL  22  -7.170  -5.571  -4.765
  161   HG11  VAL  22          HG11      VAL  22  -7.688  -7.984  -4.883
  162   HG12  VAL  22          HG12      VAL  22  -9.124  -6.977  -4.697
  163   HG13  VAL  22          HG13      VAL  22  -8.482  -7.861  -3.312
  164   HG21  VAL  22          HG21      VAL  22  -7.463  -4.344  -2.706
  165   HG22  VAL  22          HG22      VAL  22  -8.166  -5.759  -1.922
  166   HG23  VAL  22          HG23      VAL  22  -9.023  -4.966  -3.246
  167    H    THR  23           HN       THR  23  -5.601  -4.802  -1.514
  168    HA   THR  23           HA       THR  23  -3.620  -3.467  -3.167
  169    HB   THR  23           HB       THR  23  -5.146  -1.967  -2.293
  170    HG1  THR  23           HG1      THR  23  -2.674  -1.750  -0.948
  171   HG21  THR  23          HG21      THR  23  -4.340  -2.738   0.481
  172   HG22  THR  23          HG22      THR  23  -5.836  -3.262  -0.287
  173   HG23  THR  23          HG23      THR  23  -5.561  -1.546   0.034
  174    H    ARG  24           HN       ARG  24  -3.627  -5.751  -0.665
  175    HA   ARG  24           HA       ARG  24  -0.963  -5.293   0.225
  176    HB2  ARG  24           HB2      ARG  24  -2.342  -6.986   1.303
  177    HB3  ARG  24           HB1      ARG  24  -2.520  -7.851  -0.211
  178    HG2  ARG  24           HG2      ARG  24   0.122  -7.929  -0.028
  179    HG3  ARG  24           HG1      ARG  24  -0.263  -7.794   1.691
  180    HD2  ARG  24           HD2      ARG  24  -1.757  -9.712   1.511
  181    HD3  ARG  24           HD1      ARG  24  -1.396  -9.828  -0.209
  182    HE   ARG  24           HE       ARG  24   0.669 -10.201   1.859
  183   HH11  ARG  24          HH11      ARG  24  -0.901 -11.161  -1.121
  184   HH12  ARG  24          HH12      ARG  24   0.118 -12.543  -1.357
  185   HH21  ARG  24          HH21      ARG  24   2.016 -12.012   1.532
  186   HH22  ARG  24          HH22      ARG  24   1.784 -13.016   0.137
  187    H    LYS  25           HN       LYS  25  -2.447  -6.109  -2.665
  188    HA   LYS  25           HA       LYS  25   0.005  -6.919  -3.959
  189    HB2  LYS  25           HB2      LYS  25  -1.698  -8.280  -4.703
  190    HB3  LYS  25           HB1      LYS  25  -2.918  -7.035  -4.525
  191    HG2  LYS  25           HG2      LYS  25  -2.611  -7.594  -6.844
  192    HG3  LYS  25           HG1      LYS  25  -2.106  -5.939  -6.517
  193    HD2  LYS  25           HD2      LYS  25   0.261  -6.897  -6.301
  194    HD3  LYS  25           HD1      LYS  25  -0.395  -8.360  -7.038
  195    HE2  LYS  25           HE2      LYS  25  -0.402  -5.594  -8.237
  196    HE3  LYS  25           HE1      LYS  25   0.638  -6.932  -8.712
  197    HZ1  LYS  25           HZ1      LYS  25  -2.318  -6.842  -8.967
  198    HZ2  LYS  25           HZ2      LYS  25  -1.345  -8.166  -9.373
  199    HZ3  LYS  25           HZ3      LYS  25  -1.198  -6.718 -10.228
  200    H    LEU  26           HN       LEU  26  -2.401  -4.263  -3.821
  201    HA   LEU  26           HA       LEU  26  -1.279  -2.771  -5.934
  202    HB2  LEU  26           HB2      LEU  26  -3.547  -2.401  -5.229
  203    HB3  LEU  26           HB1      LEU  26  -3.016  -1.958  -3.625
  204    HG   LEU  26           HG       LEU  26  -3.783  -0.112  -5.219
  205   HD11  LEU  26          HD11      LEU  26  -2.690   0.089  -3.003
  206   HD12  LEU  26          HD12      LEU  26  -2.417   1.448  -4.102
  207   HD13  LEU  26          HD13      LEU  26  -1.151   0.243  -3.852
  208   HD21  LEU  26          HD21      LEU  26  -2.441  -0.790  -7.140
  209   HD22  LEU  26          HD22      LEU  26  -0.978  -0.447  -6.218
  210   HD23  LEU  26          HD23      LEU  26  -2.092   0.863  -6.627
  211    H    VAL  27           HN       VAL  27  -0.915  -2.334  -2.375
  212    HA   VAL  27           HA       VAL  27   0.922  -0.241  -2.527
  213    HB   VAL  27           HB       VAL  27  -0.017  -0.786  -0.365
  214   HG11  VAL  27          HG11      VAL  27  -0.300  -3.135  -0.473
  215   HG12  VAL  27          HG12      VAL  27   0.807  -2.814   0.865
  216   HG13  VAL  27          HG13      VAL  27   1.428  -3.400  -0.680
  217   HG21  VAL  27          HG21      VAL  27   1.998  -0.783   1.017
  218   HG22  VAL  27          HG22      VAL  27   2.191   0.281  -0.377
  219   HG23  VAL  27          HG23      VAL  27   2.958  -1.312  -0.367
  220    H    LEU  28           HN       LEU  28   1.283  -3.642  -2.718
  221    HA   LEU  28           HA       LEU  28   4.062  -3.916  -2.771
  222    HB2  LEU  28           HB2      LEU  28   1.931  -5.566  -2.764
  223    HB3  LEU  28           HB1      LEU  28   2.371  -5.670  -4.453
  224    HG   LEU  28           HG       LEU  28   4.486  -6.624  -3.929
  225   HD11  LEU  28          HD11      LEU  28   5.128  -6.992  -1.549
  226   HD12  LEU  28          HD12      LEU  28   3.803  -5.912  -1.093
  227   HD13  LEU  28          HD13      LEU  28   5.145  -5.308  -2.069
  228   HD21  LEU  28          HD21      LEU  28   3.772  -8.596  -2.562
  229   HD22  LEU  28          HD22      LEU  28   2.689  -8.205  -3.898
  230   HD23  LEU  28          HD23      LEU  28   2.250  -7.751  -2.247
  231    H    ASP  29           HN       ASP  29   1.687  -3.481  -5.300
  232    HA   ASP  29           HA       ASP  29   3.449  -3.691  -7.514
  233    HB2  ASP  29           HB2      ASP  29   0.915  -3.954  -7.504
  234    HB3  ASP  29           HB1      ASP  29   0.825  -2.206  -7.428
  235    H    GLN  30           HN       GLN  30   2.064  -0.990  -5.710
  236    HA   GLN  30           HA       GLN  30   3.228   1.103  -7.132
  237    HB2  GLN  30           HB2      GLN  30   2.628   0.944  -4.200
  238    HB3  GLN  30           HB1      GLN  30   2.802   2.413  -5.143
  239    HG2  GLN  30           HG2      GLN  30   0.612   0.362  -5.372
  240    HG3  GLN  30           HG1      GLN  30   0.493   2.012  -4.775
  241   HE21  GLN  30          HE21      GLN  30   0.808  -0.005  -7.564
  242   HE22  GLN  30          HE22      GLN  30   0.447   1.207  -8.743
  243    H    ALA  31           HN       ALA  31   4.309  -0.622  -4.263
  244    HA   ALA  31           HA       ALA  31   6.696   0.800  -3.805
  245    HB1  ALA  31           HB1      ALA  31   7.329  -1.096  -2.436
  246    HB2  ALA  31           HB2      ALA  31   6.105  -2.103  -3.221
  247    HB3  ALA  31           HB3      ALA  31   5.613  -0.746  -2.199
  248    H    ALA  32           HN       ALA  32   5.800  -1.735  -5.918
  249    HA   ALA  32           HA       ALA  32   8.377  -2.554  -6.731
  250    HB1  ALA  32           HB1      ALA  32   6.756  -4.111  -7.223
  251    HB2  ALA  32           HB2      ALA  32   6.859  -3.294  -8.786
  252    HB3  ALA  32           HB3      ALA  32   5.550  -2.889  -7.662
  253    H    SER  33           HN       SER  33   5.975  -0.289  -7.984
  254    HA   SER  33           HA       SER  33   7.338   0.505 -10.299
  255    HB2  SER  33           HB2      SER  33   5.013   1.020 -10.012
  256    HB3  SER  33           HB1      SER  33   5.331   1.888  -8.513
  257    HG   SER  33           HG       SER  33   6.628   2.795 -10.814
  258    H    VAL  34           HN       VAL  34   7.467   1.608  -6.976
  259    HA   VAL  34           HA       VAL  34   9.113   3.851  -7.281
  260    HB   VAL  34           HB       VAL  34   9.148   1.970  -4.939
  261   HG11  VAL  34          HG11      VAL  34   9.633   4.924  -5.231
  262   HG12  VAL  34          HG12      VAL  34  10.802   3.682  -4.786
  263   HG13  VAL  34          HG13      VAL  34   9.491   4.098  -3.682
  264   HG21  VAL  34          HG21      VAL  34   6.867   2.409  -5.530
  265   HG22  VAL  34          HG22      VAL  34   7.171   4.149  -5.505
  266   HG23  VAL  34          HG23      VAL  34   7.295   3.203  -4.022
  267    H    LEU  35           HN       LEU  35   9.817   0.606  -6.166
  268    HA   LEU  35           HA       LEU  35  12.528   1.003  -5.775
  269    HB2  LEU  35           HB2      LEU  35  10.565  -1.095  -5.655
  270    HB3  LEU  35           HB1      LEU  35  12.162  -1.703  -6.059
  271    HG   LEU  35           HG       LEU  35  12.971  -1.292  -3.960
  272   HD11  LEU  35          HD11      LEU  35  11.040   1.024  -3.770
  273   HD12  LEU  35          HD12      LEU  35  12.797   1.109  -3.937
  274   HD13  LEU  35          HD13      LEU  35  12.084   0.488  -2.449
  275   HD21  LEU  35          HD21      LEU  35  11.013  -1.499  -2.321
  276   HD22  LEU  35          HD22      LEU  35  11.250  -2.772  -3.516
  277   HD23  LEU  35          HD23      LEU  35  10.004  -1.546  -3.776
  278    H    GLY  36           HN       GLY  36  10.819  -0.145  -8.619
  279    HA2  GLY  36           HA2      GLY  36  12.263   0.324 -10.680
  280    HA3  GLY  36           HA1      GLY  36  13.424  -0.702  -9.852
  281    H    TYR  37           HN       TYR  37  10.186  -1.548  -9.428
  282    HA   TYR  37           HA       TYR  37  10.692  -3.976 -11.003
  283    HB2  TYR  37           HB2      TYR  37   8.675  -3.616  -8.794
  284    HB3  TYR  37           HB1      TYR  37   9.295  -5.116  -9.439
  285    HD1  TYR  37           HD1      TYR  37   9.129  -4.206  -6.546
  286    HD2  TYR  37           HD2      TYR  37  12.267  -4.050  -9.394
  287    HE1  TYR  37           HE1      TYR  37  10.756  -4.273  -4.731
  288    HE2  TYR  37           HE2      TYR  37  13.923  -4.104  -7.595
  289    HH   TYR  37           HH       TYR  37  14.104  -3.631  -5.240
  290    H    ALA  38           HN       ALA  38   8.700  -5.030 -11.821
  291    HA   ALA  38           HA       ALA  38   6.525  -3.174 -12.465
  292    HB1  ALA  38           HB1      ALA  38   8.118  -3.250 -14.356
  293    HB2  ALA  38           HB2      ALA  38   6.521  -3.871 -14.775
  294    HB3  ALA  38           HB3      ALA  38   7.852  -4.990 -14.472
  295    H    SER  39           HN       SER  39   7.387  -5.938 -11.022
  296    HA   SER  39           HA       SER  39   4.778  -7.121 -11.217
  297    HB2  SER  39           HB2      SER  39   7.205  -8.609 -12.249
  298    HB3  SER  39           HB1      SER  39   5.641  -9.358 -11.923
  299    HG   SER  39           HG       SER  39   5.364  -7.156 -13.481
  300    H    THR  40           HN       THR  40   6.483  -5.934  -9.214
  301    HA   THR  40           HA       THR  40   7.330  -6.214  -7.124
  302    HB   THR  40           HB       THR  40   5.897  -7.549  -5.617
  303    HG1  THR  40           HG1      THR  40   5.189  -9.293  -6.687
  304   HG21  THR  40          HG21      THR  40   4.444  -5.888  -7.673
  305   HG22  THR  40          HG22      THR  40   5.201  -5.302  -6.189
  306   HG23  THR  40          HG23      THR  40   3.782  -6.349  -6.104
  307    H    GLU  41           HN       GLU  41   9.019  -7.451  -8.726
  308    HA   GLU  41           HA       GLU  41   9.334 -10.209  -8.547
  309    HB2  GLU  41           HB2      GLU  41  11.663  -9.786  -9.319
  310    HB3  GLU  41           HB1      GLU  41  10.433  -8.971 -10.274
  311    HG2  GLU  41           HG2      GLU  41  10.893  -6.917  -8.874
  312    HG3  GLU  41           HG1      GLU  41  12.301  -7.775  -8.252
  313    H    SER  42           HN       SER  42  10.947  -7.697  -6.576
  314    HA   SER  42           HA       SER  42  11.864  -9.868  -4.820
  315    HB2  SER  42           HB2      SER  42  13.709  -8.837  -6.119
  316    HB3  SER  42           HB1      SER  42  13.317  -7.275  -5.406
  317    HG   SER  42           HG       SER  42  13.776  -8.226  -3.340
  318    H    LEU  43           HN       LEU  43   9.411  -8.572  -4.489
  319    HA   LEU  43           HA       LEU  43   9.881  -6.916  -2.121
  320    HB2  LEU  43           HB2      LEU  43   7.443  -7.372  -3.811
  321    HB3  LEU  43           HB1      LEU  43   7.431  -6.452  -2.318
  322    HG   LEU  43           HG       LEU  43   9.147  -5.749  -4.689
  323   HD11  LEU  43          HD11      LEU  43   6.825  -5.610  -5.292
  324   HD12  LEU  43          HD12      LEU  43   7.494  -3.990  -5.086
  325   HD13  LEU  43          HD13      LEU  43   6.473  -4.695  -3.828
  326   HD21  LEU  43          HD21      LEU  43   9.970  -4.900  -2.584
  327   HD22  LEU  43          HD22      LEU  43   8.367  -4.279  -2.187
  328   HD23  LEU  43          HD23      LEU  43   9.272  -3.584  -3.531
  329    H    ASP  44           HN       ASP  44   8.432  -7.221  -0.316
  330    HA   ASP  44           HA       ASP  44   7.296  -9.893  -0.024
  331    HB2  ASP  44           HB2      ASP  44   9.750  -9.547   1.023
  332    HB3  ASP  44           HB1      ASP  44   8.798  -8.828   2.315
  333    H    THR  45           HN       THR  45   5.512  -9.909   1.305
  334    HA   THR  45           HA       THR  45   4.534  -7.278   2.083
  335    HB   THR  45           HB       THR  45   2.413  -8.638   2.564
  336    HG1  THR  45           HG1      THR  45   3.443 -10.526   0.761
  337   HG21  THR  45          HG21      THR  45   1.875  -8.763   0.124
  338   HG22  THR  45          HG22      THR  45   3.557  -8.340  -0.201
  339   HG23  THR  45          HG23      THR  45   2.514  -7.215   0.668
  340    H    HIS  46           HN       HIS  46   6.131  -9.894   3.428
  341    HA   HIS  46           HA       HIS  46   5.018  -9.391   6.097
  342    HB2  HIS  46           HB2      HIS  46   6.684 -11.676   5.035
  343    HB3  HIS  46           HB1      HIS  46   6.262 -11.482   6.727
  344    HD1  HIS  46           HD1      HIS  46   4.445 -13.019   7.322
  345    HD2  HIS  46           HD2      HIS  46   4.010 -11.540   3.466
  346    HE1  HIS  46           HE1      HIS  46   2.324 -14.044   6.446
  347    HE2  HIS  46           HE2      HIS  46   2.193 -13.295   4.046
  348    H    GLU  47           HN       GLU  47   7.420  -8.315   4.167
  349    HA   GLU  47           HA       GLU  47   9.229  -7.858   6.436
  350    HB2  GLU  47           HB2      GLU  47  11.020  -8.363   5.184
  351    HB3  GLU  47           HB1      GLU  47   9.881  -9.140   4.101
  352    HG2  GLU  47           HG2      GLU  47   9.744  -6.990   2.833
  353    HG3  GLU  47           HG1      GLU  47  11.053  -6.378   3.855
  354    H    SER  48           HN       SER  48  10.202  -5.746   6.504
  355    HA   SER  48           HA       SER  48   8.085  -3.849   5.918
  356    HB2  SER  48           HB2      SER  48  10.603  -3.301   7.478
  357    HB3  SER  48           HB1      SER  48   9.031  -2.517   7.609
  358    HG   SER  48           HG       SER  48   8.518  -5.008   8.052
  359    H    PHE  49           HN       PHE  49   8.356  -1.903   4.911
  360    HA   PHE  49           HA       PHE  49   9.696  -1.867   2.500
  361    HB2  PHE  49           HB2      PHE  49   8.752   0.488   4.120
  362    HB3  PHE  49           HB1      PHE  49   9.189   0.545   2.418
  363    HD1  PHE  49           HD1      PHE  49   7.724  -0.318   0.735
  364    HD2  PHE  49           HD2      PHE  49   6.744  -0.642   4.855
  365    HE1  PHE  49           HE1      PHE  49   5.405  -0.880   0.137
  366    HE2  PHE  49           HE2      PHE  49   4.435  -1.200   4.267
  367    HZ   PHE  49           HZ       PHE  49   3.762  -1.320   1.914
  368    H    LYS  50           HN       LYS  50  10.778  -0.715   5.587
  369    HA   LYS  50           HA       LYS  50  13.077   0.607   5.044
  370    HB2  LYS  50           HB2      LYS  50  12.127  -0.101   7.271
  371    HB3  LYS  50           HB1      LYS  50  12.884  -1.662   7.003
  372    HG2  LYS  50           HG2      LYS  50  14.169  -0.134   8.467
  373    HG3  LYS  50           HG1      LYS  50  15.053  -0.728   7.067
  374    HD2  LYS  50           HD2      LYS  50  15.521   1.625   7.399
  375    HD3  LYS  50           HD1      LYS  50  14.606   1.403   5.911
  376    HE2  LYS  50           HE2      LYS  50  12.555   2.056   7.079
  377    HE3  LYS  50           HE1      LYS  50  13.473   2.275   8.568
  378    HZ1  LYS  50           HZ1      LYS  50  13.109   4.380   7.455
  379    HZ2  LYS  50           HZ2      LYS  50  13.858   3.807   6.052
  380    HZ3  LYS  50           HZ3      LYS  50  14.757   4.008   7.467
  381    H    ASP  51           HN       ASP  51  12.701  -2.882   5.185
  382    HA   ASP  51           HA       ASP  51  15.290  -3.501   4.237
  383    HB2  ASP  51           HB2      ASP  51  13.780  -5.046   5.523
  384    HB3  ASP  51           HB1      ASP  51  12.857  -5.256   4.043
  385    H    LEU  52           HN       LEU  52  12.277  -2.804   2.657
  386    HA   LEU  52           HA       LEU  52  12.923  -3.832   0.090
  387    HB2  LEU  52           HB2      LEU  52  10.869  -1.928   1.138
  388    HB3  LEU  52           HB1      LEU  52  11.047  -2.163  -0.574
  389    HG   LEU  52           HG       LEU  52  10.519  -4.556  -0.308
  390   HD11  LEU  52          HD11      LEU  52   9.581  -5.304   1.846
  391   HD12  LEU  52          HD12      LEU  52  10.147  -3.800   2.572
  392   HD13  LEU  52          HD13      LEU  52  11.308  -4.953   1.915
  393   HD21  LEU  52          HD21      LEU  52   8.708  -3.037  -0.792
  394   HD22  LEU  52          HD22      LEU  52   8.520  -2.682   0.926
  395   HD23  LEU  52          HD23      LEU  52   8.167  -4.302   0.318
  396    H    GLY  53           HN       GLY  53  13.780  -1.046   1.827
  397    HA2  GLY  53           HA2      GLY  53  15.736   0.111   1.111
  398    HA3  GLY  53           HA1      GLY  53  15.200  -0.069  -0.548
  399    H    PHE  54           HN       PHE  54  12.623   0.774   1.498
  400    HA   PHE  54           HA       PHE  54  12.497   3.353   0.315
  401    HB2  PHE  54           HB2      PHE  54  10.765   2.001   2.385
  402    HB3  PHE  54           HB1      PHE  54  10.454   3.611   1.745
  403    HD1  PHE  54           HD1      PHE  54   9.657   3.938  -0.477
  404    HD2  PHE  54           HD2      PHE  54  10.603   0.060   0.959
  405    HE1  PHE  54           HE1      PHE  54   8.458   2.959  -2.378
  406    HE2  PHE  54           HE2      PHE  54   9.424  -0.944  -0.927
  407    HZ   PHE  54           HZ       PHE  54   8.481   0.546  -2.730
  408    H    ASP  55           HN       ASP  55  12.198   5.331   1.463
  409    HA   ASP  55           HA       ASP  55  13.412   5.740   4.026
  410    HB2  ASP  55           HB2      ASP  55  15.308   5.371   2.205
  411    HB3  ASP  55           HB1      ASP  55  14.903   7.026   1.761
  412    H    SER  56           HN       SER  56  14.081   8.455   3.698
  413    HA   SER  56           HA       SER  56  11.473   9.636   3.372
  414    HB2  SER  56           HB2      SER  56  14.140  11.007   3.801
  415    HB3  SER  56           HB1      SER  56  12.541  11.694   4.090
  416    HG   SER  56           HG       SER  56  12.284   9.870   5.619
  417    H    LEU  57           HN       LEU  57  12.278   8.451   1.040
  418    HA   LEU  57           HA       LEU  57  12.287  10.640  -0.871
  419    HB2  LEU  57           HB2      LEU  57  14.020   8.198  -1.074
  420    HB3  LEU  57           HB1      LEU  57  13.960   9.516  -2.226
  421    HG   LEU  57           HG       LEU  57  14.875   9.830   0.622
  422   HD11  LEU  57          HD11      LEU  57  16.346   8.256  -0.485
  423   HD12  LEU  57          HD12      LEU  57  17.166   9.806  -0.286
  424   HD13  LEU  57          HD13      LEU  57  16.519   9.345  -1.861
  425   HD21  LEU  57          HD21      LEU  57  15.898  11.889  -0.256
  426   HD22  LEU  57          HD22      LEU  57  14.143  11.877  -0.434
  427   HD23  LEU  57          HD23      LEU  57  15.173  11.559  -1.829
  428    H    THR  58           HN       THR  58  12.618   7.133  -0.924
  429    HA   THR  58           HA       THR  58  10.841   6.781  -3.097
  430    HB   THR  58           HB       THR  58  11.076   4.305  -2.299
  431    HG1  THR  58           HG1      THR  58  13.404   4.687  -1.112
  432   HG21  THR  58          HG21      THR  58  13.284   4.165  -3.342
  433   HG22  THR  58          HG22      THR  58  13.477   5.911  -3.174
  434   HG23  THR  58          HG23      THR  58  12.228   5.259  -4.235
  435    H    ALA  59           HN       ALA  59  10.540   6.298   0.394
  436    HA   ALA  59           HA       ALA  59   8.023   5.151   0.476
  437    HB1  ALA  59           HB1      ALA  59   9.129   7.196   2.413
  438    HB2  ALA  59           HB2      ALA  59   9.516   5.477   2.441
  439    HB3  ALA  59           HB3      ALA  59   7.860   6.013   2.740
  440    H    LEU  60           HN       LEU  60   9.046   8.433  -0.014
  441    HA   LEU  60           HA       LEU  60   6.562   9.693   0.378
  442    HB2  LEU  60           HB2      LEU  60   9.054  10.493  -1.105
  443    HB3  LEU  60           HB1      LEU  60   7.659  11.549  -0.976
  444    HG   LEU  60           HG       LEU  60   9.428  12.100   0.672
  445   HD11  LEU  60          HD11      LEU  60   8.000  12.226   2.616
  446   HD12  LEU  60          HD12      LEU  60   6.912  11.032   1.915
  447   HD13  LEU  60          HD13      LEU  60   7.089  12.615   1.156
  448   HD21  LEU  60          HD21      LEU  60   9.790  10.630   2.587
  449   HD22  LEU  60          HD22      LEU  60  10.309   9.870   1.081
  450   HD23  LEU  60          HD23      LEU  60   8.781   9.398   1.829
  451    H    GLU  61           HN       GLU  61   8.234   8.634  -2.585
  452    HA   GLU  61           HA       GLU  61   6.013   9.370  -4.237
  453    HB2  GLU  61           HB2      GLU  61   7.230   7.829  -5.926
  454    HB3  GLU  61           HB1      GLU  61   8.000   9.338  -5.437
  455    HG2  GLU  61           HG2      GLU  61   9.336   8.067  -3.799
  456    HG3  GLU  61           HG1      GLU  61   8.612   6.584  -4.414
  457    H    LEU  62           HN       LEU  62   6.969   6.442  -2.557
  458    HA   LEU  62           HA       LEU  62   5.018   4.732  -3.722
  459    HB2  LEU  62           HB2      LEU  62   6.779   3.784  -2.394
  460    HB3  LEU  62           HB1      LEU  62   6.287   4.718  -0.999
  461    HG   LEU  62           HG       LEU  62   4.171   3.490  -0.904
  462   HD11  LEU  62          HD11      LEU  62   5.319   1.930  -3.199
  463   HD12  LEU  62          HD12      LEU  62   3.904   2.982  -3.239
  464   HD13  LEU  62          HD13      LEU  62   3.875   1.495  -2.288
  465   HD21  LEU  62          HD21      LEU  62   6.543   1.657  -1.023
  466   HD22  LEU  62          HD22      LEU  62   5.065   1.438  -0.081
  467   HD23  LEU  62          HD23      LEU  62   6.180   2.749   0.311
  468    H    ARG  63           HN       ARG  63   5.040   6.743  -0.835
  469    HA   ARG  63           HA       ARG  63   2.468   6.253   0.108
  470    HB2  ARG  63           HB2      ARG  63   3.897   7.509   1.490
  471    HB3  ARG  63           HB1      ARG  63   4.372   8.582   0.182
  472    HG2  ARG  63           HG2      ARG  63   1.812   9.237   0.254
  473    HG3  ARG  63           HG1      ARG  63   1.974   8.674   1.921
  474    HD2  ARG  63           HD2      ARG  63   2.378  11.094   1.693
  475    HD3  ARG  63           HD1      ARG  63   3.780  10.226   2.308
  476    HE   ARG  63           HE       ARG  63   4.435  10.300  -0.227
  477   HH11  ARG  63          HH11      ARG  63   2.986  12.830   1.712
  478   HH12  ARG  63          HH12      ARG  63   3.623  14.114   0.735
  479   HH21  ARG  63          HH21      ARG  63   5.280  12.003  -1.515
  480   HH22  ARG  63          HH22      ARG  63   4.938  13.647  -1.081
  481    H    ASP  64           HN       ASP  64   3.786   8.588  -2.158
  482    HA   ASP  64           HA       ASP  64   1.488   9.886  -2.968
  483    HB2  ASP  64           HB2      ASP  64   3.896  10.427  -3.530
  484    HB3  ASP  64           HB1      ASP  64   3.782   9.186  -4.769
  485    H    HIS  65           HN       HIS  65   2.960   6.893  -4.125
  486    HA   HIS  65           HA       HIS  65   1.220   6.378  -6.256
  487    HB2  HIS  65           HB2      HIS  65   2.811   4.543  -4.508
  488    HB3  HIS  65           HB1      HIS  65   1.913   3.993  -5.901
  489    HD1  HIS  65           HD1      HIS  65   2.877   6.676  -7.587
  490    HD2  HIS  65           HD2      HIS  65   5.168   3.810  -5.676
  491    HE1  HIS  65           HE1      HIS  65   5.162   6.789  -8.656
  492    HE2  HIS  65           HE2      HIS  65   6.550   5.134  -7.407
  493    H    LEU  66           HN       LEU  66   1.023   5.478  -2.808
  494    HA   LEU  66           HA       LEU  66  -1.193   3.745  -3.141
  495    HB2  LEU  66           HB2      LEU  66   0.042   5.165  -0.832
  496    HB3  LEU  66           HB1      LEU  66  -1.491   4.356  -0.620
  497    HG   LEU  66           HG       LEU  66  -0.574   2.244  -0.821
  498   HD11  LEU  66          HD11      LEU  66   0.511   2.542  -2.975
  499   HD12  LEU  66          HD12      LEU  66   1.590   1.740  -1.835
  500   HD13  LEU  66          HD13      LEU  66   1.811   3.451  -2.208
  501   HD21  LEU  66          HD21      LEU  66   0.258   3.257   1.180
  502   HD22  LEU  66          HD22      LEU  66   1.598   3.990   0.297
  503   HD23  LEU  66          HD23      LEU  66   1.521   2.238   0.490
  504    H    GLN  67           HN       GLN  67  -0.911   7.153  -2.375
  505    HA   GLN  67           HA       GLN  67  -3.705   7.573  -1.911
  506    HB2  GLN  67           HB2      GLN  67  -1.781   9.700  -2.796
  507    HB3  GLN  67           HB1      GLN  67  -3.181   9.863  -1.742
  508    HG2  GLN  67           HG2      GLN  67  -2.098   8.904   0.056
  509    HG3  GLN  67           HG1      GLN  67  -0.906   8.125  -0.990
  510   HE21  GLN  67          HE21      GLN  67  -0.276  10.389  -2.540
  511   HE22  GLN  67          HE22      GLN  67   0.630  11.460  -1.552
  512    H    THR  68           HN       THR  68  -1.554   7.805  -4.669
  513    HA   THR  68           HA       THR  68  -3.405   8.855  -6.485
  514    HB   THR  68           HB       THR  68  -0.809   7.406  -6.543
  515    HG1  THR  68           HG1      THR  68  -0.276   9.434  -6.478
  516   HG21  THR  68          HG21      THR  68  -0.704   7.518  -8.976
  517   HG22  THR  68          HG22      THR  68  -2.370   8.097  -9.031
  518   HG23  THR  68          HG23      THR  68  -2.017   6.471  -8.444
  519    H    ALA  69           HN       ALA  69  -2.293   5.643  -5.746
  520    HA   ALA  69           HA       ALA  69  -3.910   4.117  -7.369
  521    HB1  ALA  69           HB1      ALA  69  -3.454   2.305  -5.800
  522    HB2  ALA  69           HB2      ALA  69  -2.875   3.490  -4.625
  523    HB3  ALA  69           HB3      ALA  69  -2.009   3.262  -6.143
  524    H    THR  70           HN       THR  70  -4.516   5.050  -3.976
  525    HA   THR  70           HA       THR  70  -7.101   3.703  -4.083
  526    HB   THR  70           HB       THR  70  -7.190   4.079  -1.673
  527    HG1  THR  70           HG1      THR  70  -4.651   5.322  -1.756
  528   HG21  THR  70          HG21      THR  70  -4.403   3.271  -2.482
  529   HG22  THR  70          HG22      THR  70  -5.816   2.212  -2.565
  530   HG23  THR  70          HG23      THR  70  -5.249   2.810  -1.005
  531    H    GLY  71           HN       GLY  71  -5.768   6.907  -3.805
  532    HA2  GLY  71           HA2      GLY  71  -6.896   8.886  -4.404
  533    HA3  GLY  71           HA1      GLY  71  -8.431   8.049  -4.198
  534    H    LEU  72           HN       LEU  72  -6.539   7.222  -1.674
  535    HA   LEU  72           HA       LEU  72  -8.159   8.885   0.090
  536    HB2  LEU  72           HB2      LEU  72  -6.561   6.362   0.441
  537    HB3  LEU  72           HB1      LEU  72  -7.119   7.270   1.826
  538    HG   LEU  72           HG       LEU  72  -8.559   5.326   1.250
  539   HD11  LEU  72          HD11      LEU  72  -9.429   7.303   2.464
  540   HD12  LEU  72          HD12      LEU  72 -10.651   6.413   1.557
  541   HD13  LEU  72          HD13      LEU  72 -10.016   7.936   0.924
  542   HD21  LEU  72          HD21      LEU  72  -8.348   5.437  -1.189
  543   HD22  LEU  72          HD22      LEU  72  -9.303   6.915  -1.194
  544   HD23  LEU  72          HD23      LEU  72 -10.028   5.399  -0.661
  545    H    ASN  73           HN       ASN  73  -6.571   8.943   2.361
  546    HA   ASN  73           HA       ASN  73  -4.468  10.791   1.449
  547    HB2  ASN  73           HB2      ASN  73  -6.512  11.929   2.326
  548    HB3  ASN  73           HB1      ASN  73  -6.237  11.143   3.877
  549   HD21  ASN  73          HD21      ASN  73  -4.582  11.843   5.189
  550   HD22  ASN  73          HD22      ASN  73  -3.722  13.317   4.904
  551    H    LEU  74           HN       LEU  74  -2.733   9.464   1.763
  552    HA   LEU  74           HA       LEU  74  -2.410   8.187   4.350
  553    HB2  LEU  74           HB2      LEU  74  -0.888   7.897   1.768
  554    HB3  LEU  74           HB1      LEU  74  -0.485   7.048   3.253
  555    HG   LEU  74           HG       LEU  74  -2.990   6.244   3.093
  556   HD11  LEU  74          HD11      LEU  74  -3.507   7.653   1.115
  557   HD12  LEU  74          HD12      LEU  74  -3.802   5.935   0.850
  558   HD13  LEU  74          HD13      LEU  74  -2.353   6.699   0.178
  559   HD21  LEU  74          HD21      LEU  74  -1.199   4.714   3.122
  560   HD22  LEU  74          HD22      LEU  74  -0.671   5.194   1.509
  561   HD23  LEU  74          HD23      LEU  74  -2.187   4.320   1.717
  562    H    SER  75           HN       SER  75   0.620   8.225   4.153
  563    HA   SER  75           HA       SER  75   0.998  11.008   4.987
  564    HB2  SER  75           HB2      SER  75   0.081   9.836   6.951
  565    HB3  SER  75           HB1      SER  75   1.394   8.667   6.862
  566    HG   SER  75           HG       SER  75   1.437  11.353   7.661
  567    H    SER  76           HN       SER  76   3.304  11.441   5.697
  568    HA   SER  76           HA       SER  76   5.048  10.597   3.643
  569    HB2  SER  76           HB2      SER  76   5.723  12.029   6.217
  570    HB3  SER  76           HB1      SER  76   6.742  11.943   4.782
  571    HG   SER  76           HG       SER  76   5.706  13.641   4.131
  572    H    THR  77           HN       THR  77   4.696   9.578   6.995
  573    HA   THR  77           HA       THR  77   6.909   7.674   6.617
  574    HB   THR  77           HB       THR  77   6.709   7.385   9.142
  575    HG1  THR  77           HG1      THR  77   4.659   8.381   9.405
  576   HG21  THR  77          HG21      THR  77   7.497  10.073   8.028
  577   HG22  THR  77          HG22      THR  77   8.517   8.636   8.109
  578   HG23  THR  77          HG23      THR  77   7.997   9.435   9.594
  579    H    LEU  78           HN       LEU  78   4.296   7.489   5.537
  580    HA   LEU  78           HA       LEU  78   2.388   5.976   6.763
  581    HB2  LEU  78           HB2      LEU  78   2.322   7.053   4.538
  582    HB3  LEU  78           HB1      LEU  78   3.366   5.800   3.929
  583    HG   LEU  78           HG       LEU  78   0.755   5.794   3.559
  584   HD11  LEU  78          HD11      LEU  78   2.170   4.272   2.467
  585   HD12  LEU  78          HD12      LEU  78   0.923   3.323   3.289
  586   HD13  LEU  78          HD13      LEU  78   2.542   3.432   3.980
  587   HD21  LEU  78          HD21      LEU  78   1.164   4.587   6.252
  588   HD22  LEU  78          HD22      LEU  78  -0.106   3.986   5.185
  589   HD23  LEU  78          HD23      LEU  78  -0.103   5.677   5.682
  590    H    ILE  79           HN       ILE  79   4.942   4.645   4.692
  591    HA   ILE  79           HA       ILE  79   4.395   1.938   5.494
  592    HB   ILE  79           HB       ILE  79   6.215   1.347   4.010
  593   HG12  ILE  79          HG12      ILE  79   6.779   4.298   4.044
  594   HG13  ILE  79          HG11      ILE  79   7.880   2.974   4.417
  595   HG21  ILE  79          HG21      ILE  79   4.083   1.839   2.982
  596   HG22  ILE  79          HG22      ILE  79   5.411   2.370   1.947
  597   HG23  ILE  79          HG23      ILE  79   4.502   3.554   2.891
  598   HD11  ILE  79          HD11      ILE  79   6.826   3.845   1.757
  599   HD12  ILE  79          HD12      ILE  79   7.609   2.277   2.002
  600   HD13  ILE  79          HD13      ILE  79   8.502   3.768   2.304
  601    H    PHE  80           HN       PHE  80   5.806   4.196   7.261
  602    HA   PHE  80           HA       PHE  80   7.614   2.238   8.500
  603    HB2  PHE  80           HB2      PHE  80   7.801   5.259   8.559
  604    HB3  PHE  80           HB1      PHE  80   8.874   4.159   9.425
  605    HD1  PHE  80           HD1      PHE  80   9.091   6.284   6.923
  606    HD2  PHE  80           HD2      PHE  80   9.381   2.077   7.472
  607    HE1  PHE  80           HE1      PHE  80  10.487   6.120   4.907
  608    HE2  PHE  80           HE2      PHE  80  10.774   1.888   5.454
  609    HZ   PHE  80           HZ       PHE  80  11.338   3.925   4.170
  610    H    ASP  81           HN       ASP  81   4.845   4.075   8.645
  611    HA   ASP  81           HA       ASP  81   4.421   3.888  11.490
  612    HB2  ASP  81           HB2      ASP  81   3.334   5.453   9.514
  613    HB3  ASP  81           HB1      ASP  81   2.125   4.196   9.687
  614    H    HIS  82           HN       HIS  82   3.549   2.378   8.505
  615    HA   HIS  82           HA       HIS  82   2.584  -0.009   9.898
  616    HB2  HIS  82           HB2      HIS  82   1.790   0.917   7.128
  617    HB3  HIS  82           HB1      HIS  82   1.056  -0.362   8.080
  618    HD1  HIS  82           HD1      HIS  82  -0.407   0.385  10.142
  619    HD2  HIS  82           HD2      HIS  82   0.920   3.475   7.694
  620    HE1  HIS  82           HE1      HIS  82  -1.686   2.418  10.874
  621    HE2  HIS  82           HE2      HIS  82  -0.716   4.307   9.524
  622    HA   PRO  83           HA       PRO  83   6.576  -1.008   8.554
  623    HB2  PRO  83           HB2      PRO  83   6.527  -3.696   9.151
  624    HB3  PRO  83           HB1      PRO  83   6.763  -2.411  10.340
  625    HG2  PRO  83           HG2      PRO  83   4.253  -3.886   9.615
  626    HG3  PRO  83           HG1      PRO  83   4.866  -3.437  11.222
  627    HD2  PRO  83           HD2      PRO  83   2.930  -2.016  10.032
  628    HD3  PRO  83           HD1      PRO  83   4.186  -1.226  10.992
  629    H    THR  84           HN       THR  84   4.022  -3.210   7.400
  630    HA   THR  84           HA       THR  84   5.750  -3.797   5.111
  631    HB   THR  84           HB       THR  84   4.746  -6.016   5.043
  632    HG1  THR  84           HG1      THR  84   3.577  -6.463   7.220
  633   HG21  THR  84          HG21      THR  84   6.804  -5.668   6.354
  634   HG22  THR  84          HG22      THR  84   5.796  -6.944   7.039
  635   HG23  THR  84          HG23      THR  84   5.825  -5.346   7.785
  636    HA   PRO  85           HA       PRO  85   2.485  -2.644   2.347
  637    HB2  PRO  85           HB2      PRO  85   2.811  -5.280   1.039
  638    HB3  PRO  85           HB1      PRO  85   2.958  -3.668   0.344
  639    HG2  PRO  85           HG2      PRO  85   5.099  -5.221   0.801
  640    HG3  PRO  85           HG1      PRO  85   5.160  -3.456   0.949
  641    HD2  PRO  85           HD2      PRO  85   5.069  -5.530   3.073
  642    HD3  PRO  85           HD1      PRO  85   5.871  -3.953   3.072
  643    H    HIS  86           HN       HIS  86   2.584  -5.504   4.139
  644    HA   HIS  86           HA       HIS  86  -0.149  -6.318   3.741
  645    HB2  HIS  86           HB2      HIS  86   1.099  -8.091   4.474
  646    HB3  HIS  86           HB1      HIS  86   2.134  -7.102   5.472
  647    HD1  HIS  86           HD1      HIS  86  -0.567  -9.501   5.688
  648    HD2  HIS  86           HD2      HIS  86   0.787  -6.308   7.985
  649    HE1  HIS  86           HE1      HIS  86  -1.542  -9.855   7.977
  650    HE2  HIS  86           HE2      HIS  86  -0.877  -7.810   9.282
  651    H    ALA  87           HN       ALA  87   1.680  -4.542   6.151
  652    HA   ALA  87           HA       ALA  87  -0.550  -4.005   7.862
  653    HB1  ALA  87           HB1      ALA  87   0.987  -2.573   9.080
  654    HB2  ALA  87           HB2      ALA  87   2.138  -2.637   7.745
  655    HB3  ALA  87           HB3      ALA  87   1.786  -4.094   8.679
  656    H    VAL  88           HN       VAL  88   0.796  -2.648   5.089
  657    HA   VAL  88           HA       VAL  88  -0.350  -0.015   5.476
  658    HB   VAL  88           HB       VAL  88   1.172  -1.285   3.223
  659   HG11  VAL  88          HG11      VAL  88   0.095   1.506   3.433
  660   HG12  VAL  88          HG12      VAL  88  -0.354   0.272   2.256
  661   HG13  VAL  88          HG13      VAL  88   1.266   0.970   2.228
  662   HG21  VAL  88          HG21      VAL  88   2.934   0.306   3.859
  663   HG22  VAL  88          HG22      VAL  88   2.525  -0.803   5.168
  664   HG23  VAL  88          HG23      VAL  88   1.929   0.861   5.199
  665    H    ALA  89           HN       ALA  89  -0.808  -2.814   3.372
  666    HA   ALA  89           HA       ALA  89  -2.926  -1.754   1.890
  667    HB1  ALA  89           HB1      ALA  89  -2.363  -4.620   2.612
  668    HB2  ALA  89           HB2      ALA  89  -1.810  -3.752   1.177
  669    HB3  ALA  89           HB3      ALA  89  -3.527  -4.087   1.395
  670    H    GLU  90           HN       GLU  90  -2.931  -3.521   5.015
  671    HA   GLU  90           HA       GLU  90  -5.799  -3.508   5.141
  672    HB2  GLU  90           HB2      GLU  90  -5.433  -4.097   7.549
  673    HB3  GLU  90           HB1      GLU  90  -4.646  -5.177   6.403
  674    HG2  GLU  90           HG2      GLU  90  -2.534  -4.135   6.788
  675    HG3  GLU  90           HG1      GLU  90  -3.268  -2.911   7.816
  676    H    HIS  91           HN       HIS  91  -3.229  -1.388   6.046
  677    HA   HIS  91           HA       HIS  91  -4.695   0.441   7.561
  678    HB2  HIS  91           HB2      HIS  91  -2.347   0.630   7.678
  679    HB3  HIS  91           HB1      HIS  91  -2.182   0.684   5.921
  680    HD1  HIS  91           HD1      HIS  91  -3.476   2.826   8.787
  681    HD2  HIS  91           HD2      HIS  91  -2.163   3.154   4.857
  682    HE1  HIS  91           HE1      HIS  91  -3.385   5.296   8.312
  683    HE2  HIS  91           HE2      HIS  91  -2.711   5.475   5.897
  684    H    LEU  92           HN       LEU  92  -4.524  -0.196   4.173
  685    HA   LEU  92           HA       LEU  92  -5.672   2.287   3.374
  686    HB2  LEU  92           HB2      LEU  92  -4.910  -0.251   2.042
  687    HB3  LEU  92           HB1      LEU  92  -6.152   0.721   1.261
  688    HG   LEU  92           HG       LEU  92  -4.703   2.496   0.855
  689   HD11  LEU  92          HD11      LEU  92  -3.745   2.994   2.925
  690   HD12  LEU  92          HD12      LEU  92  -2.370   2.519   1.923
  691   HD13  LEU  92          HD13      LEU  92  -3.043   1.382   3.087
  692   HD21  LEU  92          HD21      LEU  92  -2.968   0.046   0.721
  693   HD22  LEU  92          HD22      LEU  92  -2.701   1.554  -0.154
  694   HD23  LEU  92          HD23      LEU  92  -4.121   0.569  -0.507
  695    H    LEU  93           HN       LEU  93  -6.859  -0.535   4.763
  696    HA   LEU  93           HA       LEU  93  -9.565  -0.377   3.777
  697    HB2  LEU  93           HB2      LEU  93  -8.306  -1.846   6.068
  698    HB3  LEU  93           HB1      LEU  93 -10.036  -1.849   5.810
  699    HG   LEU  93           HG       LEU  93  -9.869  -3.167   3.884
  700   HD11  LEU  93          HD11      LEU  93  -8.142  -1.952   2.705
  701   HD12  LEU  93          HD12      LEU  93  -7.727  -3.668   2.765
  702   HD13  LEU  93          HD13      LEU  93  -6.921  -2.521   3.846
  703   HD21  LEU  93          HD21      LEU  93  -8.579  -5.080   4.585
  704   HD22  LEU  93          HD22      LEU  93  -9.354  -4.341   5.985
  705   HD23  LEU  93          HD23      LEU  93  -7.633  -4.075   5.685
  706    H    GLU  94           HN       GLU  94  -7.669   0.759   6.376
  707    HA   GLU  94           HA       GLU  94  -9.550   1.760   8.165
  708    HB2  GLU  94           HB2      GLU  94  -6.802   2.690   7.354
  709    HB3  GLU  94           HB1      GLU  94  -7.669   3.363   8.738
  710    HG2  GLU  94           HG2      GLU  94  -6.913   0.467   8.407
  711    HG3  GLU  94           HG1      GLU  94  -5.984   1.648   9.324
  712    H    GLN  95           HN       GLN  95  -8.466   2.886   5.078
  713    HA   GLN  95           HA       GLN  95  -9.502   5.559   5.370
  714    HB2  GLN  95           HB2      GLN  95  -8.606   4.248   2.825
  715    HB3  GLN  95           HB1      GLN  95  -8.447   5.931   3.311
  716    HG2  GLN  95           HG2      GLN  95  -6.981   3.690   4.657
  717    HG3  GLN  95           HG1      GLN  95  -6.332   4.577   3.287
  718   HE21  GLN  95          HE21      GLN  95  -5.484   4.308   6.077
  719   HE22  GLN  95          HE22      GLN  95  -5.321   5.926   6.666
  720    H    ILE  96           HN       ILE  96 -10.571   2.488   4.306
  721    HA   ILE  96           HA       ILE  96 -12.233   3.295   2.156
  722    HB   ILE  96           HB       ILE  96 -12.098   0.722   3.708
  723   HG12  ILE  96          HG12      ILE  96  -9.998   1.541   2.705
  724   HG13  ILE  96          HG11      ILE  96 -10.537   0.016   2.042
  725   HG21  ILE  96          HG21      ILE  96 -13.102   1.089   0.910
  726   HG22  ILE  96          HG22      ILE  96 -14.158   0.999   2.320
  727   HG23  ILE  96          HG23      ILE  96 -13.140  -0.375   1.891
  728   HD11  ILE  96          HD11      ILE  96  -9.639   1.663   0.387
  729   HD12  ILE  96          HD12      ILE  96 -11.051   2.671   0.731
  730   HD13  ILE  96          HD13      ILE  96 -11.261   1.064   0.032
  731    HA   PRO  97           HA       PRO  97 -15.763   4.635   4.283
  732    HB2  PRO  97           HB2      PRO  97 -17.528   4.603   2.284
  733    HB3  PRO  97           HB1      PRO  97 -16.117   5.669   2.256
  734    HG2  PRO  97           HG2      PRO  97 -16.459   2.988   0.964
  735    HG3  PRO  97           HG1      PRO  97 -15.881   4.492   0.238
  736    HD2  PRO  97           HD2      PRO  97 -14.200   2.590   1.114
  737    HD3  PRO  97           HD1      PRO  97 -13.810   4.307   1.220
  738    H    GLY  98           HN       GLY  98 -15.875   2.639   5.672
  739    HA2  GLY  98           HA2      GLY  98 -17.453   1.370   6.795
  740    HA3  GLY  98           HA1      GLY  98 -18.567   1.641   5.467
  741    H    ILE  99           HN       ILE  99 -17.572   0.524   3.350
  742    HA   ILE  99           HA       ILE  99 -17.977  -2.195   3.552
  743    HB   ILE  99           HB       ILE  99 -16.426  -2.183   1.379
  744   HG12  ILE  99          HG12      ILE  99 -17.415   0.622   1.244
  745   HG13  ILE  99          HG11      ILE  99 -15.940   0.320   2.150
  746   HG21  ILE  99          HG21      ILE  99 -18.416  -1.591   0.079
  747   HG22  ILE  99          HG22      ILE  99 -19.176  -0.961   1.541
  748   HG23  ILE  99          HG23      ILE  99 -18.801  -2.680   1.410
  749   HD11  ILE  99          HD11      ILE  99 -16.442  -0.245  -0.755
  750   HD12  ILE  99          HD12      ILE  99 -15.009  -0.780   0.131
  751   HD13  ILE  99          HD13      ILE  99 -15.340   0.947  -0.048
  752    H    GLY 100           HN       GLY 100 -14.933  -0.427   3.764
  753    HA2  GLY 100           HA2      GLY 100 -13.527  -2.969   4.188
  754    HA3  GLY 100           HA1      GLY 100 -12.774  -1.455   3.694
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -13.756  11.295   1.336
    2    H2   GLY   1           HT2      GLY   1 -14.457  10.610  -0.040
    3    H3   GLY   1           HT3      GLY   1 -14.339  12.289   0.101
    4    HA2  GLY   1           HA1      GLY   1 -11.945  12.184   0.006
    5    HA3  GLY   1           HA2      GLY   1 -12.037  10.430  -0.082
    6    H    SER   2           HN       SER   2 -11.387  12.986  -1.895
    7    HA   SER   2           HA       SER   2 -12.983  12.517  -4.213
    8    HB2  SER   2           HB2      SER   2 -11.093  13.961  -5.272
    9    HB3  SER   2           HB1      SER   2 -12.153  14.701  -4.072
   10    HG   SER   2           HG       SER   2  -9.457  14.067  -3.924
   11    H    THR   3           HN       THR   3 -12.599  11.246  -5.934
   12    HA   THR   3           HA       THR   3 -11.579   9.789  -7.361
   13    HB   THR   3           HB       THR   3  -9.117  10.212  -5.667
   14    HG1  THR   3           HG1      THR   3 -10.243  11.676  -7.553
   15   HG21  THR   3          HG21      THR   3  -9.351   8.713  -8.279
   16   HG22  THR   3          HG22      THR   3  -9.128   7.962  -6.694
   17   HG23  THR   3          HG23      THR   3  -7.869   9.010  -7.366
   18    H    ALA   4           HN       ALA   4 -11.624   9.344  -3.954
   19    HA   ALA   4           HA       ALA   4 -10.565   6.869  -3.535
   20    HB1  ALA   4           HB1      ALA   4 -11.440   8.344  -1.778
   21    HB2  ALA   4           HB2      ALA   4 -12.007   6.684  -1.599
   22    HB3  ALA   4           HB3      ALA   4 -13.084   7.917  -2.256
   23    H    THR   5           HN       THR   5 -13.861   7.509  -4.720
   24    HA   THR   5           HA       THR   5 -14.986   5.033  -4.826
   25    HB   THR   5           HB       THR   5 -15.041   7.111  -7.010
   26    HG1  THR   5           HG1      THR   5 -15.870   7.269  -4.546
   27   HG21  THR   5          HG21      THR   5 -17.007   4.893  -6.423
   28   HG22  THR   5          HG22      THR   5 -15.909   4.953  -7.801
   29   HG23  THR   5          HG23      THR   5 -17.197   6.147  -7.649
   30    H    LEU   6           HN       LEU   6 -12.302   6.120  -6.700
   31    HA   LEU   6           HA       LEU   6 -12.166   4.263  -8.747
   32    HB2  LEU   6           HB2      LEU   6 -10.619   6.039  -8.725
   33    HB3  LEU   6           HB1      LEU   6 -10.134   5.689  -7.078
   34    HG   LEU   6           HG       LEU   6  -8.953   3.669  -7.863
   35   HD11  LEU   6          HD11      LEU   6  -8.606   3.301 -10.241
   36   HD12  LEU   6          HD12      LEU   6  -9.666   4.656 -10.625
   37   HD13  LEU   6          HD13      LEU   6 -10.324   3.215  -9.849
   38   HD21  LEU   6          HD21      LEU   6  -8.152   6.165  -9.353
   39   HD22  LEU   6          HD22      LEU   6  -7.100   4.834  -8.868
   40   HD23  LEU   6          HD23      LEU   6  -7.838   5.868  -7.644
   41    H    LEU   7           HN       LEU   7 -10.364   4.061  -5.682
   42    HA   LEU   7           HA       LEU   7 -10.034   1.218  -6.037
   43    HB2  LEU   7           HB2      LEU   7  -8.673   3.238  -4.688
   44    HB3  LEU   7           HB1      LEU   7  -9.326   2.212  -3.422
   45    HG   LEU   7           HG       LEU   7  -7.017   1.586  -4.136
   46   HD11  LEU   7          HD11      LEU   7  -7.470  -0.780  -4.107
   47   HD12  LEU   7          HD12      LEU   7  -9.133  -0.499  -4.637
   48   HD13  LEU   7          HD13      LEU   7  -8.612   0.050  -3.045
   49   HD21  LEU   7          HD21      LEU   7  -6.619   0.577  -6.238
   50   HD22  LEU   7          HD22      LEU   7  -7.489   2.077  -6.585
   51   HD23  LEU   7          HD23      LEU   7  -8.337   0.532  -6.626
   52    H    THR   8           HN       THR   8 -12.011   3.341  -4.134
   53    HA   THR   8           HA       THR   8 -12.836   1.577  -2.132
   54    HB   THR   8           HB       THR   8 -14.217   3.924  -3.388
   55    HG1  THR   8           HG1      THR   8 -12.305   4.404  -2.265
   56   HG21  THR   8          HG21      THR   8 -15.699   3.981  -1.449
   57   HG22  THR   8          HG22      THR   8 -14.952   2.514  -0.820
   58   HG23  THR   8          HG23      THR   8 -15.887   2.456  -2.313
   59    H    SER   9           HN       SER   9 -13.937   1.969  -5.437
   60    HA   SER   9           HA       SER   9 -16.252   0.324  -5.193
   61    HB2  SER   9           HB2      SER   9 -16.188   1.878  -6.998
   62    HB3  SER   9           HB1      SER   9 -14.628   1.281  -7.554
   63    HG   SER   9           HG       SER   9 -16.767  -0.524  -7.441
   64    H    LYS  10           HN       LYS  10 -12.874  -0.263  -5.627
   65    HA   LYS  10           HA       LYS  10 -12.943  -2.959  -6.477
   66    HB2  LYS  10           HB2      LYS  10 -10.959  -1.244  -6.249
   67    HB3  LYS  10           HB1      LYS  10 -10.886  -1.813  -4.592
   68    HG2  LYS  10           HG2      LYS  10 -10.228  -3.290  -7.112
   69    HG3  LYS  10           HG1      LYS  10  -9.254  -3.019  -5.678
   70    HD2  LYS  10           HD2      LYS  10  -9.806  -5.086  -5.175
   71    HD3  LYS  10           HD1      LYS  10 -11.341  -4.384  -4.672
   72    HE2  LYS  10           HE2      LYS  10 -11.665  -6.347  -6.111
   73    HE3  LYS  10           HE1      LYS  10 -12.309  -4.880  -6.838
   74    HZ1  LYS  10           HZ1      LYS  10 -11.064  -6.314  -8.395
   75    HZ2  LYS  10           HZ2      LYS  10  -9.658  -6.037  -7.499
   76    HZ3  LYS  10           HZ3      LYS  10 -10.427  -4.752  -8.281
   77    H    LEU  11           HN       LEU  11 -12.428  -1.504  -3.293
   78    HA   LEU  11           HA       LEU  11 -12.507  -3.870  -1.807
   79    HB2  LEU  11           HB2      LEU  11 -13.223  -1.099  -0.873
   80    HB3  LEU  11           HB1      LEU  11 -12.890  -2.461   0.169
   81    HG   LEU  11           HG       LEU  11 -10.861  -1.445   0.256
   82   HD11  LEU  11          HD11      LEU  11 -10.578  -2.941  -2.340
   83   HD12  LEU  11          HD12      LEU  11 -10.591  -3.686  -0.737
   84   HD13  LEU  11          HD13      LEU  11  -9.295  -2.569  -1.182
   85   HD21  LEU  11          HD21      LEU  11 -11.660   0.364  -1.333
   86   HD22  LEU  11          HD22      LEU  11 -10.975  -0.617  -2.631
   87   HD23  LEU  11          HD23      LEU  11  -9.934   0.004  -1.347
   88    H    ALA  12           HN       ALA  12 -15.088  -1.847  -2.946
   89    HA   ALA  12           HA       ALA  12 -17.188  -2.732  -1.338
   90    HB1  ALA  12           HB1      ALA  12 -17.295  -2.018  -4.265
   91    HB2  ALA  12           HB2      ALA  12 -17.343  -0.865  -2.930
   92    HB3  ALA  12           HB3      ALA  12 -18.653  -2.029  -3.139
   93    H    GLY  13           HN       GLY  13 -15.493  -4.297  -3.916
   94    HA2  GLY  13           HA2      GLY  13 -17.479  -6.401  -4.204
   95    HA3  GLY  13           HA1      GLY  13 -15.969  -6.248  -5.093
   96    H    LEU  14           HN       LEU  14 -14.912  -5.793  -2.104
   97    HA   LEU  14           HA       LEU  14 -14.340  -8.641  -1.711
   98    HB2  LEU  14           HB2      LEU  14 -12.884  -6.183  -0.857
   99    HB3  LEU  14           HB1      LEU  14 -12.481  -7.759  -0.272
  100    HG   LEU  14           HG       LEU  14 -10.976  -7.682  -1.911
  101   HD11  LEU  14          HD11      LEU  14 -13.418  -8.348  -3.530
  102   HD12  LEU  14          HD12      LEU  14 -12.451  -9.478  -2.573
  103   HD13  LEU  14          HD13      LEU  14 -11.748  -8.691  -3.990
  104   HD21  LEU  14          HD21      LEU  14 -12.813  -5.807  -3.347
  105   HD22  LEU  14          HD22      LEU  14 -11.209  -6.282  -3.903
  106   HD23  LEU  14          HD23      LEU  14 -11.392  -5.389  -2.391
  107    H    THR  15           HN       THR  15 -13.799  -9.215   0.478
  108    HA   THR  15           HA       THR  15 -15.437  -7.914   2.522
  109    HB   THR  15           HB       THR  15 -14.990  -9.893   3.853
  110    HG1  THR  15           HG1      THR  15 -13.641 -11.584   2.670
  111   HG21  THR  15          HG21      THR  15 -15.861 -11.672   2.365
  112   HG22  THR  15          HG22      THR  15 -15.536 -10.633   0.972
  113   HG23  THR  15          HG23      THR  15 -16.737 -10.152   2.172
  114    H    ALA  16           HN       ALA  16 -14.161  -7.560   4.648
  115    HA   ALA  16           HA       ALA  16 -12.147  -5.740   4.255
  116    HB1  ALA  16           HB1      ALA  16 -13.328  -6.035   6.383
  117    HB2  ALA  16           HB2      ALA  16 -11.580  -6.009   6.612
  118    HB3  ALA  16           HB3      ALA  16 -12.453  -7.540   6.662
  119    H    THR  17           HN       THR  17 -11.799  -9.226   4.662
  120    HA   THR  17           HA       THR  17  -8.984  -9.292   4.830
  121    HB   THR  17           HB       THR  17 -10.932 -11.414   3.914
  122    HG1  THR  17           HG1      THR  17 -11.152 -10.617   6.114
  123   HG21  THR  17          HG21      THR  17  -8.040 -11.640   4.741
  124   HG22  THR  17          HG22      THR  17  -8.696 -11.935   3.133
  125   HG23  THR  17          HG23      THR  17  -9.125 -13.002   4.470
  126    H    GLU  18           HN       GLU  18 -11.191  -9.690   2.053
  127    HA   GLU  18           HA       GLU  18  -9.073 -10.132   0.231
  128    HB2  GLU  18           HB2      GLU  18 -11.961  -9.433  -0.191
  129    HB3  GLU  18           HB1      GLU  18 -10.848  -9.894  -1.458
  130    HG2  GLU  18           HG2      GLU  18 -10.517 -12.050  -0.288
  131    HG3  GLU  18           HG1      GLU  18 -11.777 -11.563   0.841
  132    H    GLN  19           HN       GLN  19 -10.778  -7.359   1.427
  133    HA   GLN  19           HA       GLN  19  -9.837  -5.449  -0.404
  134    HB2  GLN  19           HB2      GLN  19 -10.430  -5.172   2.543
  135    HB3  GLN  19           HB1      GLN  19 -10.281  -3.843   1.411
  136    HG2  GLN  19           HG2      GLN  19 -12.185  -4.592   0.199
  137    HG3  GLN  19           HG1      GLN  19 -12.294  -6.039   1.179
  138   HE21  GLN  19          HE21      GLN  19 -14.317  -4.127   0.737
  139   HE22  GLN  19          HE22      GLN  19 -14.723  -3.447   2.281
  140    H    ARG  20           HN       ARG  20  -8.484  -6.772   2.584
  141    HA   ARG  20           HA       ARG  20  -6.041  -5.381   2.595
  142    HB2  ARG  20           HB2      ARG  20  -6.101  -8.329   3.177
  143    HB3  ARG  20           HB1      ARG  20  -5.174  -7.067   3.974
  144    HG2  ARG  20           HG2      ARG  20  -7.203  -6.240   5.010
  145    HG3  ARG  20           HG1      ARG  20  -8.144  -7.503   4.205
  146    HD2  ARG  20           HD2      ARG  20  -7.706  -8.198   6.455
  147    HD3  ARG  20           HD1      ARG  20  -6.726  -9.177   5.373
  148    HE   ARG  20           HE       ARG  20  -5.287  -6.919   6.360
  149   HH11  ARG  20          HH11      ARG  20  -6.342 -10.155   7.132
  150   HH12  ARG  20          HH12      ARG  20  -5.115 -10.419   8.325
  151   HH21  ARG  20          HH21      ARG  20  -3.641  -7.254   7.968
  152   HH22  ARG  20          HH22      ARG  20  -3.600  -8.775   8.806
  153    H    ALA  21           HN       ALA  21  -7.042  -8.335   0.995
  154    HA   ALA  21           HA       ALA  21  -4.557  -9.107  -0.030
  155    HB1  ALA  21           HB1      ALA  21  -5.793 -10.638  -1.437
  156    HB2  ALA  21           HB2      ALA  21  -7.280  -9.741  -1.137
  157    HB3  ALA  21           HB3      ALA  21  -6.486 -10.598   0.184
  158    H    VAL  22           HN       VAL  22  -7.043  -7.059  -1.464
  159    HA   VAL  22           HA       VAL  22  -5.911  -7.200  -4.067
  160    HB   VAL  22           HB       VAL  22  -7.434  -5.270  -4.604
  161   HG11  VAL  22          HG11      VAL  22  -8.849  -7.544  -3.226
  162   HG12  VAL  22          HG12      VAL  22  -7.996  -7.733  -4.759
  163   HG13  VAL  22          HG13      VAL  22  -9.370  -6.636  -4.652
  164   HG21  VAL  22          HG21      VAL  22  -9.133  -4.668  -2.947
  165   HG22  VAL  22          HG22      VAL  22  -7.516  -4.251  -2.380
  166   HG23  VAL  22          HG23      VAL  22  -8.329  -5.685  -1.744
  167    H    THR  23           HN       THR  23  -5.656  -4.706  -1.495
  168    HA   THR  23           HA       THR  23  -3.664  -3.451  -3.197
  169    HB   THR  23           HB       THR  23  -4.980  -1.836  -2.258
  170    HG1  THR  23           HG1      THR  23  -3.096  -1.261  -0.457
  171   HG21  THR  23          HG21      THR  23  -4.390  -2.899   0.476
  172   HG22  THR  23          HG22      THR  23  -5.912  -3.127  -0.381
  173   HG23  THR  23          HG23      THR  23  -5.399  -1.506   0.099
  174    H    ARG  24           HN       ARG  24  -3.698  -5.724  -0.634
  175    HA   ARG  24           HA       ARG  24  -0.993  -5.405   0.162
  176    HB2  ARG  24           HB2      ARG  24  -2.565  -6.988   1.250
  177    HB3  ARG  24           HB1      ARG  24  -2.571  -7.963  -0.205
  178    HG2  ARG  24           HG2      ARG  24   0.078  -7.856   0.320
  179    HG3  ARG  24           HG1      ARG  24  -0.596  -7.792   1.950
  180    HD2  ARG  24           HD2      ARG  24  -1.975  -9.786   1.374
  181    HD3  ARG  24           HD1      ARG  24  -1.110  -9.879  -0.159
  182    HE   ARG  24           HE       ARG  24   0.810  -9.850   1.835
  183   HH11  ARG  24          HH11      ARG  24  -1.841 -11.914   0.862
  184   HH12  ARG  24          HH12      ARG  24  -1.097 -13.363   1.460
  185   HH21  ARG  24          HH21      ARG  24   1.787 -11.736   2.631
  186   HH22  ARG  24          HH22      ARG  24   0.975 -13.264   2.463
  187    H    LYS  25           HN       LYS  25  -2.464  -5.997  -2.727
  188    HA   LYS  25           HA       LYS  25  -0.079  -6.978  -4.041
  189    HB2  LYS  25           HB2      LYS  25  -1.894  -8.195  -4.719
  190    HB3  LYS  25           HB1      LYS  25  -2.971  -6.808  -4.673
  191    HG2  LYS  25           HG2      LYS  25  -2.456  -6.162  -6.710
  192    HG3  LYS  25           HG1      LYS  25  -0.758  -6.630  -6.577
  193    HD2  LYS  25           HD2      LYS  25  -1.177  -8.830  -7.087
  194    HD3  LYS  25           HD1      LYS  25  -2.865  -8.709  -6.621
  195    HE2  LYS  25           HE2      LYS  25  -2.725  -8.906  -9.022
  196    HE3  LYS  25           HE1      LYS  25  -3.257  -7.276  -8.614
  197    HZ1  LYS  25           HZ1      LYS  25  -1.005  -6.487  -8.947
  198    HZ2  LYS  25           HZ2      LYS  25  -1.564  -7.264 -10.339
  199    HZ3  LYS  25           HZ3      LYS  25  -0.480  -8.053  -9.313
  200    H    LEU  26           HN       LEU  26  -2.392  -4.242  -3.858
  201    HA   LEU  26           HA       LEU  26  -1.234  -2.761  -5.967
  202    HB2  LEU  26           HB2      LEU  26  -3.526  -2.409  -5.328
  203    HB3  LEU  26           HB1      LEU  26  -3.047  -1.958  -3.711
  204    HG   LEU  26           HG       LEU  26  -3.789  -0.121  -5.322
  205   HD11  LEU  26          HD11      LEU  26  -2.723   0.087  -3.083
  206   HD12  LEU  26          HD12      LEU  26  -2.483   1.455  -4.176
  207   HD13  LEU  26          HD13      LEU  26  -1.184   0.287  -3.923
  208   HD21  LEU  26          HD21      LEU  26  -2.075   0.869  -6.696
  209   HD22  LEU  26          HD22      LEU  26  -2.413  -0.786  -7.218
  210   HD23  LEU  26          HD23      LEU  26  -0.966  -0.441  -6.270
  211    H    VAL  27           HN       VAL  27  -0.981  -2.267  -2.394
  212    HA   VAL  27           HA       VAL  27   0.850  -0.163  -2.540
  213    HB   VAL  27           HB       VAL  27  -0.113  -0.633  -0.383
  214   HG11  VAL  27          HG11      VAL  27  -0.474  -2.973  -0.451
  215   HG12  VAL  27          HG12      VAL  27   0.613  -2.658   0.905
  216   HG13  VAL  27          HG13      VAL  27   1.249  -3.300  -0.612
  217   HG21  VAL  27          HG21      VAL  27   2.842  -1.266  -0.301
  218   HG22  VAL  27          HG22      VAL  27   1.869  -0.661   1.042
  219   HG23  VAL  27          HG23      VAL  27   2.139   0.354  -0.376
  220    H    LEU  28           HN       LEU  28   1.208  -3.565  -2.659
  221    HA   LEU  28           HA       LEU  28   3.979  -3.845  -2.679
  222    HB2  LEU  28           HB2      LEU  28   1.890  -5.511  -2.661
  223    HB3  LEU  28           HB1      LEU  28   2.270  -5.583  -4.367
  224    HG   LEU  28           HG       LEU  28   4.447  -6.478  -3.917
  225   HD11  LEU  28          HD11      LEU  28   5.071  -5.233  -1.998
  226   HD12  LEU  28          HD12      LEU  28   5.108  -6.943  -1.561
  227   HD13  LEU  28          HD13      LEU  28   3.755  -5.923  -1.050
  228   HD21  LEU  28          HD21      LEU  28   2.732  -8.126  -3.967
  229   HD22  LEU  28          HD22      LEU  28   2.226  -7.735  -2.321
  230   HD23  LEU  28          HD23      LEU  28   3.785  -8.522  -2.605
  231    H    ASP  29           HN       ASP  29   1.647  -3.504  -5.294
  232    HA   ASP  29           HA       ASP  29   3.480  -3.704  -7.435
  233    HB2  ASP  29           HB2      ASP  29   0.956  -3.944  -7.539
  234    HB3  ASP  29           HB1      ASP  29   0.873  -2.194  -7.452
  235    H    GLN  30           HN       GLN  30   2.075  -0.986  -5.694
  236    HA   GLN  30           HA       GLN  30   3.264   1.087  -7.120
  237    HB2  GLN  30           HB2      GLN  30   2.612   0.952  -4.199
  238    HB3  GLN  30           HB1      GLN  30   2.821   2.416  -5.146
  239    HG2  GLN  30           HG2      GLN  30   0.623   0.381  -5.411
  240    HG3  GLN  30           HG1      GLN  30   0.505   2.041  -4.847
  241   HE21  GLN  30          HE21      GLN  30   0.846  -0.034  -7.587
  242   HE22  GLN  30          HE22      GLN  30   0.522   1.160  -8.799
  243    H    ALA  31           HN       ALA  31   4.314  -0.625  -4.239
  244    HA   ALA  31           HA       ALA  31   6.703   0.794  -3.766
  245    HB1  ALA  31           HB1      ALA  31   7.310  -1.105  -2.386
  246    HB2  ALA  31           HB2      ALA  31   6.079  -2.100  -3.175
  247    HB3  ALA  31           HB3      ALA  31   5.597  -0.734  -2.163
  248    H    ALA  32           HN       ALA  32   5.813  -1.768  -5.856
  249    HA   ALA  32           HA       ALA  32   8.400  -2.593  -6.648
  250    HB1  ALA  32           HB1      ALA  32   5.577  -2.953  -7.586
  251    HB2  ALA  32           HB2      ALA  32   6.787  -4.167  -7.115
  252    HB3  ALA  32           HB3      ALA  32   6.895  -3.376  -8.689
  253    H    SER  33           HN       SER  33   5.979  -0.369  -7.922
  254    HA   SER  33           HA       SER  33   7.303   0.416 -10.256
  255    HB2  SER  33           HB2      SER  33   4.975   0.951  -9.879
  256    HB3  SER  33           HB1      SER  33   5.375   1.871  -8.432
  257    HG   SER  33           HG       SER  33   5.599   2.555 -11.124
  258    H    VAL  34           HN       VAL  34   7.483   1.546  -6.941
  259    HA   VAL  34           HA       VAL  34   9.131   3.780  -7.304
  260    HB   VAL  34           HB       VAL  34   9.163   1.946  -4.918
  261   HG11  VAL  34          HG11      VAL  34  10.833   3.643  -4.790
  262   HG12  VAL  34          HG12      VAL  34   9.518   4.106  -3.708
  263   HG13  VAL  34          HG13      VAL  34   9.685   4.888  -5.278
  264   HG21  VAL  34          HG21      VAL  34   7.198   4.120  -5.547
  265   HG22  VAL  34          HG22      VAL  34   7.335   3.250  -4.019
  266   HG23  VAL  34          HG23      VAL  34   6.885   2.386  -5.484
  267    H    LEU  35           HN       LEU  35   9.835   0.558  -6.112
  268    HA   LEU  35           HA       LEU  35  12.556   0.950  -5.787
  269    HB2  LEU  35           HB2      LEU  35  10.583  -1.141  -5.594
  270    HB3  LEU  35           HB1      LEU  35  12.181  -1.756  -5.989
  271    HG   LEU  35           HG       LEU  35  12.998  -1.283  -3.902
  272   HD11  LEU  35          HD11      LEU  35  11.012   0.987  -3.701
  273   HD12  LEU  35          HD12      LEU  35  12.753   1.133  -3.961
  274   HD13  LEU  35          HD13      LEU  35  12.142   0.516  -2.426
  275   HD21  LEU  35          HD21      LEU  35  10.037  -1.571  -3.715
  276   HD22  LEU  35          HD22      LEU  35  11.042  -1.476  -2.262
  277   HD23  LEU  35          HD23      LEU  35  11.296  -2.777  -3.425
  278    H    GLY  36           HN       GLY  36  10.782  -0.171  -8.603
  279    HA2  GLY  36           HA2      GLY  36  12.179   0.264 -10.678
  280    HA3  GLY  36           HA1      GLY  36  13.381  -0.717  -9.854
  281    H    TYR  37           HN       TYR  37  10.185  -1.671  -9.366
  282    HA   TYR  37           HA       TYR  37  10.822  -4.139 -10.809
  283    HB2  TYR  37           HB2      TYR  37   8.717  -3.680  -8.699
  284    HB3  TYR  37           HB1      TYR  37   9.332  -5.221  -9.268
  285    HD1  TYR  37           HD1      TYR  37   9.148  -4.304  -6.420
  286    HD2  TYR  37           HD2      TYR  37  12.303  -4.056  -9.240
  287    HE1  TYR  37           HE1      TYR  37  10.764  -4.325  -4.596
  288    HE2  TYR  37           HE2      TYR  37  13.949  -4.051  -7.429
  289    HH   TYR  37           HH       TYR  37  13.087  -4.821  -4.176
  290    H    ALA  38           HN       ALA  38   8.914  -5.325 -11.701
  291    HA   ALA  38           HA       ALA  38   6.938  -3.460 -12.831
  292    HB1  ALA  38           HB1      ALA  38   8.755  -3.920 -14.453
  293    HB2  ALA  38           HB2      ALA  38   7.171  -4.466 -15.004
  294    HB3  ALA  38           HB3      ALA  38   8.336  -5.634 -14.378
  295    H    SER  39           HN       SER  39   7.452  -6.229 -11.089
  296    HA   SER  39           HA       SER  39   4.687  -6.992 -11.331
  297    HB2  SER  39           HB2      SER  39   5.776  -8.204 -13.221
  298    HB3  SER  39           HB1      SER  39   6.836  -9.002 -12.062
  299    HG   SER  39           HG       SER  39   5.217 -10.233 -11.399
  300    H    THR  40           HN       THR  40   6.362  -5.924  -9.307
  301    HA   THR  40           HA       THR  40   7.116  -6.189  -7.175
  302    HB   THR  40           HB       THR  40   5.574  -7.423  -5.678
  303    HG1  THR  40           HG1      THR  40   4.911  -8.677  -7.999
  304   HG21  THR  40          HG21      THR  40   3.535  -6.101  -6.291
  305   HG22  THR  40          HG22      THR  40   4.356  -5.650  -7.790
  306   HG23  THR  40          HG23      THR  40   5.027  -5.159  -6.230
  307    H    GLU  41           HN       GLU  41   8.642  -7.631  -8.863
  308    HA   GLU  41           HA       GLU  41   8.841 -10.382  -8.256
  309    HB2  GLU  41           HB2      GLU  41  11.095 -10.155  -9.420
  310    HB3  GLU  41           HB1      GLU  41   9.668  -9.718 -10.344
  311    HG2  GLU  41           HG2      GLU  41  11.063  -7.551  -8.893
  312    HG3  GLU  41           HG1      GLU  41  11.846  -8.227 -10.322
  313    H    SER  42           HN       SER  42  10.466  -7.554  -6.900
  314    HA   SER  42           HA       SER  42  11.953  -9.384  -5.144
  315    HB2  SER  42           HB2      SER  42  12.780  -6.619  -6.045
  316    HB3  SER  42           HB1      SER  42  13.725  -7.703  -5.024
  317    HG   SER  42           HG       SER  42  14.153  -8.967  -6.713
  318    H    LEU  43           HN       LEU  43   9.366  -8.564  -4.508
  319    HA   LEU  43           HA       LEU  43   9.888  -6.820  -2.209
  320    HB2  LEU  43           HB2      LEU  43   7.380  -7.348  -3.765
  321    HB3  LEU  43           HB1      LEU  43   7.424  -6.426  -2.270
  322    HG   LEU  43           HG       LEU  43   9.015  -5.684  -4.714
  323   HD11  LEU  43          HD11      LEU  43   6.340  -4.683  -3.796
  324   HD12  LEU  43          HD12      LEU  43   6.673  -5.626  -5.250
  325   HD13  LEU  43          HD13      LEU  43   7.312  -3.987  -5.095
  326   HD21  LEU  43          HD21      LEU  43   9.867  -4.810  -2.627
  327   HD22  LEU  43          HD22      LEU  43   8.264  -4.204  -2.207
  328   HD23  LEU  43          HD23      LEU  43   9.134  -3.517  -3.577
  329    H    ASP  44           HN       ASP  44   8.323  -7.178  -0.414
  330    HA   ASP  44           HA       ASP  44   7.388  -9.912  -0.057
  331    HB2  ASP  44           HB2      ASP  44   9.810  -9.465   0.959
  332    HB3  ASP  44           HB1      ASP  44   8.886  -8.643   2.204
  333    H    THR  45           HN       THR  45   5.502  -9.925   1.150
  334    HA   THR  45           HA       THR  45   4.521  -7.330   2.025
  335    HB   THR  45           HB       THR  45   2.417  -8.667   2.553
  336    HG1  THR  45           HG1      THR  45   3.593 -10.609   0.836
  337   HG21  THR  45          HG21      THR  45   2.499  -7.267   0.626
  338   HG22  THR  45          HG22      THR  45   1.757  -8.800   0.165
  339   HG23  THR  45          HG23      THR  45   3.434  -8.465  -0.269
  340    H    HIS  46           HN       HIS  46   6.195  -9.940   3.270
  341    HA   HIS  46           HA       HIS  46   5.104  -9.590   5.971
  342    HB2  HIS  46           HB2      HIS  46   6.971 -11.681   4.841
  343    HB3  HIS  46           HB1      HIS  46   6.483 -11.601   6.525
  344    HD1  HIS  46           HD1      HIS  46   4.660 -13.174   7.052
  345    HD2  HIS  46           HD2      HIS  46   4.470 -11.828   3.133
  346    HE1  HIS  46           HE1      HIS  46   2.716 -14.381   6.023
  347    HE2  HIS  46           HE2      HIS  46   2.789 -13.748   3.594
  348    H    GLU  47           HN       GLU  47   7.470  -8.295   4.081
  349    HA   GLU  47           HA       GLU  47   9.236  -7.836   6.387
  350    HB2  GLU  47           HB2      GLU  47  11.068  -8.262   5.162
  351    HB3  GLU  47           HB1      GLU  47   9.969  -9.087   4.074
  352    HG2  GLU  47           HG2      GLU  47   9.769  -6.931   2.802
  353    HG3  GLU  47           HG1      GLU  47  11.068  -6.304   3.818
  354    H    SER  48           HN       SER  48  10.177  -5.705   6.504
  355    HA   SER  48           HA       SER  48   8.059  -3.815   5.930
  356    HB2  SER  48           HB2      SER  48  10.594  -3.131   7.390
  357    HB3  SER  48           HB1      SER  48   8.964  -2.496   7.616
  358    HG   SER  48           HG       SER  48   8.872  -5.104   8.058
  359    H    PHE  49           HN       PHE  49   8.305  -1.875   4.891
  360    HA   PHE  49           HA       PHE  49   9.654  -1.822   2.483
  361    HB2  PHE  49           HB2      PHE  49   8.688   0.516   4.112
  362    HB3  PHE  49           HB1      PHE  49   9.137   0.590   2.413
  363    HD1  PHE  49           HD1      PHE  49   7.689  -0.300   0.711
  364    HD2  PHE  49           HD2      PHE  49   6.682  -0.605   4.826
  365    HE1  PHE  49           HE1      PHE  49   5.376  -0.877   0.100
  366    HE2  PHE  49           HE2      PHE  49   4.380  -1.176   4.226
  367    HZ   PHE  49           HZ       PHE  49   3.722  -1.314   1.870
  368    H    LYS  50           HN       LYS  50  10.695  -0.674   5.579
  369    HA   LYS  50           HA       LYS  50  12.998   0.660   5.064
  370    HB2  LYS  50           HB2      LYS  50  12.044   0.024   7.279
  371    HB3  LYS  50           HB1      LYS  50  12.694  -1.585   7.042
  372    HG2  LYS  50           HG2      LYS  50  13.993   0.119   8.476
  373    HG3  LYS  50           HG1      LYS  50  14.853  -0.929   7.357
  374    HD2  LYS  50           HD2      LYS  50  15.724   1.323   7.200
  375    HD3  LYS  50           HD1      LYS  50  14.894   0.901   5.707
  376    HE2  LYS  50           HE2      LYS  50  12.903   2.137   6.532
  377    HE3  LYS  50           HE1      LYS  50  13.842   2.636   7.939
  378    HZ1  LYS  50           HZ1      LYS  50  13.890   4.359   6.289
  379    HZ2  LYS  50           HZ2      LYS  50  14.433   3.290   5.100
  380    HZ3  LYS  50           HZ3      LYS  50  15.435   3.684   6.406
  381    H    ASP  51           HN       ASP  51  12.651  -2.827   5.257
  382    HA   ASP  51           HA       ASP  51  15.247  -3.439   4.334
  383    HB2  ASP  51           HB2      ASP  51  13.717  -4.970   5.619
  384    HB3  ASP  51           HB1      ASP  51  12.827  -5.210   4.123
  385    H    LEU  52           HN       LEU  52  12.253  -2.755   2.713
  386    HA   LEU  52           HA       LEU  52  12.951  -3.758   0.144
  387    HB2  LEU  52           HB2      LEU  52  10.871  -1.868   1.173
  388    HB3  LEU  52           HB1      LEU  52  11.091  -2.071  -0.538
  389    HG   LEU  52           HG       LEU  52  10.529  -4.452  -0.352
  390   HD11  LEU  52          HD11      LEU  52  11.320  -4.935   1.851
  391   HD12  LEU  52          HD12      LEU  52   9.588  -5.270   1.778
  392   HD13  LEU  52          HD13      LEU  52  10.170  -3.798   2.553
  393   HD21  LEU  52          HD21      LEU  52   8.176  -4.212   0.318
  394   HD22  LEU  52          HD22      LEU  52   8.712  -2.934  -0.779
  395   HD23  LEU  52          HD23      LEU  52   8.544  -2.606   0.946
  396    H    GLY  53           HN       GLY  53  13.778  -1.002   1.945
  397    HA2  GLY  53           HA2      GLY  53  15.763   0.137   1.272
  398    HA3  GLY  53           HA1      GLY  53  15.239   0.011  -0.388
  399    H    PHE  54           HN       PHE  54  12.610   0.835   1.532
  400    HA   PHE  54           HA       PHE  54  12.524   3.415   0.358
  401    HB2  PHE  54           HB2      PHE  54  10.740   2.075   2.397
  402    HB3  PHE  54           HB1      PHE  54  10.440   3.675   1.735
  403    HD1  PHE  54           HD1      PHE  54   9.662   3.975  -0.502
  404    HD2  PHE  54           HD2      PHE  54  10.625   0.117   0.983
  405    HE1  PHE  54           HE1      PHE  54   8.512   2.965  -2.416
  406    HE2  PHE  54           HE2      PHE  54   9.492  -0.913  -0.919
  407    HZ   PHE  54           HZ       PHE  54   8.506   0.558  -2.719
  408    H    ASP  55           HN       ASP  55  12.172   5.411   1.505
  409    HA   ASP  55           HA       ASP  55  13.100   5.827   4.159
  410    HB2  ASP  55           HB2      ASP  55  15.242   5.370   2.701
  411    HB3  ASP  55           HB1      ASP  55  14.952   7.006   2.112
  412    H    SER  56           HN       SER  56  14.052   8.540   3.699
  413    HA   SER  56           HA       SER  56  11.505   9.821   3.352
  414    HB2  SER  56           HB2      SER  56  14.260  11.026   3.714
  415    HB3  SER  56           HB1      SER  56  12.731  11.894   3.861
  416    HG   SER  56           HG       SER  56  13.993  10.656   5.764
  417    H    LEU  57           HN       LEU  57  12.340   8.495   1.029
  418    HA   LEU  57           HA       LEU  57  12.327  10.640  -0.934
  419    HB2  LEU  57           HB2      LEU  57  14.075   8.206  -1.077
  420    HB3  LEU  57           HB1      LEU  57  14.007   9.496  -2.260
  421    HG   LEU  57           HG       LEU  57  14.917   9.872   0.585
  422   HD11  LEU  57          HD11      LEU  57  17.200   9.870  -0.309
  423   HD12  LEU  57          HD12      LEU  57  16.573   9.416  -1.894
  424   HD13  LEU  57          HD13      LEU  57  16.404   8.311  -0.529
  425   HD21  LEU  57          HD21      LEU  57  15.203  11.591  -1.878
  426   HD22  LEU  57          HD22      LEU  57  15.886  11.947  -0.291
  427   HD23  LEU  57          HD23      LEU  57  14.137  11.895  -0.507
  428    H    THR  58           HN       THR  58  12.648   7.128  -0.938
  429    HA   THR  58           HA       THR  58  10.871   6.773  -3.109
  430    HB   THR  58           HB       THR  58  11.105   4.296  -2.283
  431    HG1  THR  58           HG1      THR  58  13.423   4.586  -1.145
  432   HG21  THR  58          HG21      THR  58  13.488   5.894  -3.215
  433   HG22  THR  58          HG22      THR  58  12.220   5.241  -4.252
  434   HG23  THR  58          HG23      THR  58  13.288   4.149  -3.369
  435    H    ALA  59           HN       ALA  59  10.559   6.310   0.383
  436    HA   ALA  59           HA       ALA  59   8.034   5.168   0.453
  437    HB1  ALA  59           HB1      ALA  59   9.527   5.497   2.427
  438    HB2  ALA  59           HB2      ALA  59   7.864   6.012   2.715
  439    HB3  ALA  59           HB3      ALA  59   9.121   7.212   2.402
  440    H    LEU  60           HN       LEU  60   9.078   8.457  -0.002
  441    HA   LEU  60           HA       LEU  60   6.602   9.731   0.353
  442    HB2  LEU  60           HB2      LEU  60   9.088  10.493  -1.162
  443    HB3  LEU  60           HB1      LEU  60   7.699  11.556  -1.043
  444    HG   LEU  60           HG       LEU  60   9.491  12.132   0.570
  445   HD11  LEU  60          HD11      LEU  60   6.959  11.136   1.840
  446   HD12  LEU  60          HD12      LEU  60   7.185  12.708   1.069
  447   HD13  LEU  60          HD13      LEU  60   8.081  12.304   2.534
  448   HD21  LEU  60          HD21      LEU  60  10.367   9.918   1.044
  449   HD22  LEU  60          HD22      LEU  60   8.833   9.457   1.787
  450   HD23  LEU  60          HD23      LEU  60   9.834  10.703   2.532
  451    H    GLU  61           HN       GLU  61   8.267   8.631  -2.606
  452    HA   GLU  61           HA       GLU  61   6.039   9.370  -4.247
  453    HB2  GLU  61           HB2      GLU  61   7.214   7.856  -5.961
  454    HB3  GLU  61           HB1      GLU  61   8.022   9.334  -5.453
  455    HG2  GLU  61           HG2      GLU  61   9.402   8.030  -3.914
  456    HG3  GLU  61           HG1      GLU  61   8.599   6.560  -4.457
  457    H    LEU  62           HN       LEU  62   6.983   6.453  -2.557
  458    HA   LEU  62           HA       LEU  62   5.040   4.742  -3.728
  459    HB2  LEU  62           HB2      LEU  62   6.803   3.810  -2.382
  460    HB3  LEU  62           HB1      LEU  62   6.278   4.736  -0.991
  461    HG   LEU  62           HG       LEU  62   4.177   3.485  -0.930
  462   HD11  LEU  62          HD11      LEU  62   5.365   1.991  -3.243
  463   HD12  LEU  62          HD12      LEU  62   3.909   2.985  -3.249
  464   HD13  LEU  62          HD13      LEU  62   3.948   1.478  -2.329
  465   HD21  LEU  62          HD21      LEU  62   5.079   1.442  -0.104
  466   HD22  LEU  62          HD22      LEU  62   6.190   2.756   0.295
  467   HD23  LEU  62          HD23      LEU  62   6.558   1.665  -1.041
  468    H    ARG  63           HN       ARG  63   5.042   6.764  -0.847
  469    HA   ARG  63           HA       ARG  63   2.462   6.258   0.081
  470    HB2  ARG  63           HB2      ARG  63   3.903   7.496   1.478
  471    HB3  ARG  63           HB1      ARG  63   4.356   8.598   0.187
  472    HG2  ARG  63           HG2      ARG  63   1.794   9.232   0.298
  473    HG3  ARG  63           HG1      ARG  63   1.974   8.631   1.949
  474    HD2  ARG  63           HD2      ARG  63   2.372  11.054   1.788
  475    HD3  ARG  63           HD1      ARG  63   3.794  10.175   2.346
  476    HE   ARG  63           HE       ARG  63   4.470  10.320  -0.134
  477   HH11  ARG  63          HH11      ARG  63   2.731  12.784   1.641
  478   HH12  ARG  63          HH12      ARG  63   3.287  14.081   0.633
  479   HH21  ARG  63          HH21      ARG  63   5.210  12.031  -1.465
  480   HH22  ARG  63          HH22      ARG  63   4.692  13.652  -1.132
  481    H    ASP  64           HN       ASP  64   3.798   8.610  -2.151
  482    HA   ASP  64           HA       ASP  64   1.532   9.913  -3.024
  483    HB2  ASP  64           HB2      ASP  64   3.897  10.483  -3.547
  484    HB3  ASP  64           HB1      ASP  64   3.923   9.134  -4.669
  485    H    HIS  65           HN       HIS  65   3.002   6.906  -4.162
  486    HA   HIS  65           HA       HIS  65   1.273   6.400  -6.303
  487    HB2  HIS  65           HB2      HIS  65   2.851   4.561  -4.544
  488    HB3  HIS  65           HB1      HIS  65   1.953   4.007  -5.936
  489    HD1  HIS  65           HD1      HIS  65   2.935   6.678  -7.638
  490    HD2  HIS  65           HD2      HIS  65   5.208   3.814  -5.704
  491    HE1  HIS  65           HE1      HIS  65   5.219   6.766  -8.710
  492    HE2  HIS  65           HE2      HIS  65   6.506   4.902  -7.657
  493    H    LEU  66           HN       LEU  66   1.056   5.482  -2.857
  494    HA   LEU  66           HA       LEU  66  -1.154   3.744  -3.204
  495    HB2  LEU  66           HB2      LEU  66   0.057   5.168  -0.883
  496    HB3  LEU  66           HB1      LEU  66  -1.466   4.339  -0.685
  497    HG   LEU  66           HG       LEU  66  -0.520   2.241  -0.872
  498   HD11  LEU  66          HD11      LEU  66   0.563   2.556  -3.030
  499   HD12  LEU  66          HD12      LEU  66   1.640   1.754  -1.892
  500   HD13  LEU  66          HD13      LEU  66   1.858   3.466  -2.256
  501   HD21  LEU  66          HD21      LEU  66   0.302   3.282   1.124
  502   HD22  LEU  66          HD22      LEU  66   1.642   4.006   0.238
  503   HD23  LEU  66          HD23      LEU  66   1.566   2.256   0.446
  504    H    GLN  67           HN       GLN  67  -0.892   7.153  -2.428
  505    HA   GLN  67           HA       GLN  67  -3.661   7.559  -1.883
  506    HB2  GLN  67           HB2      GLN  67  -1.746   9.654  -2.859
  507    HB3  GLN  67           HB1      GLN  67  -3.142   9.865  -1.810
  508    HG2  GLN  67           HG2      GLN  67  -2.074   8.911   0.011
  509    HG3  GLN  67           HG1      GLN  67  -0.873   8.134  -1.025
  510   HE21  GLN  67          HE21      GLN  67  -0.245  10.379  -2.596
  511   HE22  GLN  67          HE22      GLN  67   0.646  11.473  -1.613
  512    H    THR  68           HN       THR  68  -1.626   7.878  -4.726
  513    HA   THR  68           HA       THR  68  -3.626   8.882  -6.435
  514    HB   THR  68           HB       THR  68  -0.884   7.841  -6.592
  515    HG1  THR  68           HG1      THR  68  -0.589   9.847  -7.148
  516   HG21  THR  68          HG21      THR  68  -0.892   7.674  -9.056
  517   HG22  THR  68          HG22      THR  68  -2.653   7.799  -9.042
  518   HG23  THR  68          HG23      THR  68  -1.857   6.417  -8.287
  519    H    ALA  69           HN       ALA  69  -2.327   5.719  -5.780
  520    HA   ALA  69           HA       ALA  69  -3.897   4.153  -7.422
  521    HB1  ALA  69           HB1      ALA  69  -3.359   2.335  -5.873
  522    HB2  ALA  69           HB2      ALA  69  -2.767   3.531  -4.716
  523    HB3  ALA  69           HB3      ALA  69  -1.954   3.329  -6.269
  524    H    THR  70           HN       THR  70  -4.513   5.088  -4.030
  525    HA   THR  70           HA       THR  70  -7.018   3.604  -4.088
  526    HB   THR  70           HB       THR  70  -7.145   4.063  -1.685
  527    HG1  THR  70           HG1      THR  70  -4.639   5.392  -1.881
  528   HG21  THR  70          HG21      THR  70  -5.150   2.874  -0.993
  529   HG22  THR  70          HG22      THR  70  -4.354   3.280  -2.512
  530   HG23  THR  70          HG23      THR  70  -5.747   2.195  -2.507
  531    H    GLY  71           HN       GLY  71  -5.892   6.890  -3.911
  532    HA2  GLY  71           HA2      GLY  71  -7.122   8.809  -4.482
  533    HA3  GLY  71           HA1      GLY  71  -8.607   7.869  -4.372
  534    H    LEU  72           HN       LEU  72  -6.641   7.220  -1.789
  535    HA   LEU  72           HA       LEU  72  -8.308   8.859  -0.028
  536    HB2  LEU  72           HB2      LEU  72  -6.652   6.374   0.347
  537    HB3  LEU  72           HB1      LEU  72  -7.209   7.304   1.721
  538    HG   LEU  72           HG       LEU  72  -8.612   5.318   1.231
  539   HD11  LEU  72          HD11      LEU  72 -10.071   7.927   0.866
  540   HD12  LEU  72          HD12      LEU  72  -9.546   7.249   2.409
  541   HD13  LEU  72          HD13      LEU  72 -10.758   6.404   1.444
  542   HD21  LEU  72          HD21      LEU  72  -9.397   6.788  -1.273
  543   HD22  LEU  72          HD22      LEU  72 -10.108   5.292  -0.667
  544   HD23  LEU  72          HD23      LEU  72  -8.431   5.317  -1.203
  545    H    ASN  73           HN       ASN  73  -6.666   8.982   2.199
  546    HA   ASN  73           HA       ASN  73  -4.484  10.683   1.205
  547    HB2  ASN  73           HB2      ASN  73  -6.527  11.956   2.026
  548    HB3  ASN  73           HB1      ASN  73  -6.158  11.335   3.631
  549   HD21  ASN  73          HD21      ASN  73  -6.205  14.079   2.677
  550   HD22  ASN  73          HD22      ASN  73  -4.631  14.724   2.990
  551    H    LEU  74           HN       LEU  74  -2.812   9.394   1.653
  552    HA   LEU  74           HA       LEU  74  -2.624   8.108   4.244
  553    HB2  LEU  74           HB2      LEU  74  -0.963   7.866   1.741
  554    HB3  LEU  74           HB1      LEU  74  -0.618   7.008   3.238
  555    HG   LEU  74           HG       LEU  74  -3.079   6.140   2.960
  556   HD11  LEU  74          HD11      LEU  74  -3.800   5.864   0.673
  557   HD12  LEU  74          HD12      LEU  74  -2.362   6.703   0.083
  558   HD13  LEU  74          HD13      LEU  74  -3.582   7.584   1.001
  559   HD21  LEU  74          HD21      LEU  74  -0.676   5.206   1.433
  560   HD22  LEU  74          HD22      LEU  74  -2.170   4.283   1.546
  561   HD23  LEU  74          HD23      LEU  74  -1.255   4.656   3.006
  562    H    SER  75           HN       SER  75   0.402   8.167   4.240
  563    HA   SER  75           HA       SER  75   0.668  10.957   5.106
  564    HB2  SER  75           HB2      SER  75  -0.245   9.604   7.002
  565    HB3  SER  75           HB1      SER  75   1.228   8.637   6.960
  566    HG   SER  75           HG       SER  75   0.863  11.317   7.717
  567    H    SER  76           HN       SER  76   2.952  11.388   5.985
  568    HA   SER  76           HA       SER  76   4.754  10.848   3.891
  569    HB2  SER  76           HB2      SER  76   4.790  12.871   5.358
  570    HB3  SER  76           HB1      SER  76   5.423  11.867   6.659
  571    HG   SER  76           HG       SER  76   6.683  12.893   4.440
  572    H    THR  77           HN       THR  77   4.621   9.581   7.207
  573    HA   THR  77           HA       THR  77   6.833   7.756   6.579
  574    HB   THR  77           HB       THR  77   6.816   7.334   9.085
  575    HG1  THR  77           HG1      THR  77   5.394   8.358  10.278
  576   HG21  THR  77          HG21      THR  77   8.476   8.757   8.022
  577   HG22  THR  77          HG22      THR  77   8.011   9.426   9.587
  578   HG23  THR  77          HG23      THR  77   7.373  10.129   8.100
  579    H    LEU  78           HN       LEU  78   4.252   7.510   5.580
  580    HA   LEU  78           HA       LEU  78   2.371   5.971   6.797
  581    HB2  LEU  78           HB2      LEU  78   2.267   7.090   4.605
  582    HB3  LEU  78           HB1      LEU  78   3.329   5.876   3.951
  583    HG   LEU  78           HG       LEU  78   0.720   5.837   3.589
  584   HD11  LEU  78          HD11      LEU  78   2.528   3.480   3.962
  585   HD12  LEU  78          HD12      LEU  78   2.123   4.335   2.460
  586   HD13  LEU  78          HD13      LEU  78   0.901   3.364   3.292
  587   HD21  LEU  78          HD21      LEU  78  -0.118   3.990   5.196
  588   HD22  LEU  78          HD22      LEU  78  -0.147   5.678   5.697
  589   HD23  LEU  78          HD23      LEU  78   1.140   4.613   6.273
  590    H    ILE  79           HN       ILE  79   4.916   4.676   4.683
  591    HA   ILE  79           HA       ILE  79   4.378   1.962   5.474
  592    HB   ILE  79           HB       ILE  79   6.169   1.378   3.964
  593   HG12  ILE  79          HG12      ILE  79   6.772   4.321   4.022
  594   HG13  ILE  79          HG11      ILE  79   7.853   2.986   4.407
  595   HG21  ILE  79          HG21      ILE  79   4.456   3.618   2.911
  596   HG22  ILE  79          HG22      ILE  79   4.061   1.895   2.927
  597   HG23  ILE  79          HG23      ILE  79   5.382   2.491   1.920
  598   HD11  ILE  79          HD11      ILE  79   6.824   3.852   1.737
  599   HD12  ILE  79          HD12      ILE  79   7.613   2.290   1.997
  600   HD13  ILE  79          HD13      ILE  79   8.496   3.786   2.299
  601    H    PHE  80           HN       PHE  80   5.827   4.232   7.216
  602    HA   PHE  80           HA       PHE  80   7.676   2.289   8.422
  603    HB2  PHE  80           HB2      PHE  80   7.804   5.312   8.498
  604    HB3  PHE  80           HB1      PHE  80   8.916   4.227   9.332
  605    HD1  PHE  80           HD1      PHE  80   9.023   6.377   6.861
  606    HD2  PHE  80           HD2      PHE  80   9.438   2.171   7.342
  607    HE1  PHE  80           HE1      PHE  80  10.466   6.313   4.872
  608    HE2  PHE  80           HE2      PHE  80  10.870   2.084   5.347
  609    HZ   PHE  80           HZ       PHE  80  11.271   4.080   4.029
  610    H    ASP  81           HN       ASP  81   4.852   3.996   8.616
  611    HA   ASP  81           HA       ASP  81   4.498   3.789  11.475
  612    HB2  ASP  81           HB2      ASP  81   3.341   5.393   9.613
  613    HB3  ASP  81           HB1      ASP  81   2.194   4.070   9.657
  614    H    HIS  82           HN       HIS  82   3.594   2.316   8.489
  615    HA   HIS  82           HA       HIS  82   2.629  -0.088   9.854
  616    HB2  HIS  82           HB2      HIS  82   1.831   0.877   7.100
  617    HB3  HIS  82           HB1      HIS  82   1.073  -0.392   8.050
  618    HD1  HIS  82           HD1      HIS  82  -0.434   0.370  10.055
  619    HD2  HIS  82           HD2      HIS  82   1.059   3.461   7.715
  620    HE1  HIS  82           HE1      HIS  82  -1.657   2.429  10.804
  621    HE2  HIS  82           HE2      HIS  82  -0.582   4.317   9.529
  622    HA   PRO  83           HA       PRO  83   6.634  -1.010   8.426
  623    HB2  PRO  83           HB2      PRO  83   6.631  -3.701   9.021
  624    HB3  PRO  83           HB1      PRO  83   6.910  -2.413  10.195
  625    HG2  PRO  83           HG2      PRO  83   4.388  -3.918   9.596
  626    HG3  PRO  83           HG1      PRO  83   5.063  -3.432  11.167
  627    HD2  PRO  83           HD2      PRO  83   3.055  -2.062  10.027
  628    HD3  PRO  83           HD1      PRO  83   4.330  -1.240  10.936
  629    H    THR  84           HN       THR  84   4.061  -3.212   7.348
  630    HA   THR  84           HA       THR  84   5.740  -3.830   5.032
  631    HB   THR  84           HB       THR  84   4.683  -6.031   4.979
  632    HG1  THR  84           HG1      THR  84   3.566  -6.426   7.218
  633   HG21  THR  84          HG21      THR  84   5.817  -5.414   7.712
  634   HG22  THR  84          HG22      THR  84   6.776  -5.700   6.262
  635   HG23  THR  84          HG23      THR  84   5.774  -6.995   6.924
  636    HA   PRO  85           HA       PRO  85   2.429  -2.642   2.311
  637    HB2  PRO  85           HB2      PRO  85   2.766  -5.281   1.005
  638    HB3  PRO  85           HB1      PRO  85   2.864  -3.668   0.298
  639    HG2  PRO  85           HG2      PRO  85   5.052  -5.166   0.710
  640    HG3  PRO  85           HG1      PRO  85   5.076  -3.402   0.875
  641    HD2  PRO  85           HD2      PRO  85   5.055  -5.497   2.981
  642    HD3  PRO  85           HD1      PRO  85   5.837  -3.911   2.980
  643    H    HIS  86           HN       HIS  86   2.579  -5.499   4.108
  644    HA   HIS  86           HA       HIS  86  -0.147  -6.348   3.756
  645    HB2  HIS  86           HB2      HIS  86   1.160  -8.094   4.493
  646    HB3  HIS  86           HB1      HIS  86   2.168  -7.071   5.481
  647    HD1  HIS  86           HD1      HIS  86  -0.581  -9.460   5.687
  648    HD2  HIS  86           HD2      HIS  86   0.894  -6.335   8.003
  649    HE1  HIS  86           HE1      HIS  86  -1.517  -9.831   7.988
  650    HE2  HIS  86           HE2      HIS  86  -0.771  -7.826   9.314
  651    H    ALA  87           HN       ALA  87   1.708  -4.549   6.137
  652    HA   ALA  87           HA       ALA  87  -0.491  -4.031   7.887
  653    HB1  ALA  87           HB1      ALA  87   1.863  -4.108   8.649
  654    HB2  ALA  87           HB2      ALA  87   1.068  -2.596   9.076
  655    HB3  ALA  87           HB3      ALA  87   2.187  -2.647   7.714
  656    H    VAL  88           HN       VAL  88   0.800  -2.662   5.093
  657    HA   VAL  88           HA       VAL  88  -0.365  -0.041   5.504
  658    HB   VAL  88           HB       VAL  88   1.138  -1.275   3.219
  659   HG11  VAL  88          HG11      VAL  88   0.046   1.507   3.478
  660   HG12  VAL  88          HG12      VAL  88  -0.414   0.284   2.295
  661   HG13  VAL  88          HG13      VAL  88   1.201   0.992   2.249
  662   HG21  VAL  88          HG21      VAL  88   2.897   0.313   3.844
  663   HG22  VAL  88          HG22      VAL  88   2.511  -0.806   5.151
  664   HG23  VAL  88          HG23      VAL  88   1.908   0.854   5.201
  665    H    ALA  89           HN       ALA  89  -0.829  -2.847   3.406
  666    HA   ALA  89           HA       ALA  89  -2.961  -1.783   1.938
  667    HB1  ALA  89           HB1      ALA  89  -3.582  -4.158   1.492
  668    HB2  ALA  89           HB2      ALA  89  -2.299  -4.644   2.604
  669    HB3  ALA  89           HB3      ALA  89  -1.907  -3.752   1.134
  670    H    GLU  90           HN       GLU  90  -2.917  -3.530   5.076
  671    HA   GLU  90           HA       GLU  90  -5.787  -3.515   5.226
  672    HB2  GLU  90           HB2      GLU  90  -5.403  -4.125   7.623
  673    HB3  GLU  90           HB1      GLU  90  -4.627  -5.200   6.465
  674    HG2  GLU  90           HG2      GLU  90  -2.510  -4.150   6.837
  675    HG3  GLU  90           HG1      GLU  90  -3.240  -2.958   7.904
  676    H    HIS  91           HN       HIS  91  -3.214  -1.375   6.070
  677    HA   HIS  91           HA       HIS  91  -4.677   0.442   7.628
  678    HB2  HIS  91           HB2      HIS  91  -2.323   0.635   7.714
  679    HB3  HIS  91           HB1      HIS  91  -2.183   0.701   5.955
  680    HD1  HIS  91           HD1      HIS  91  -3.477   2.820   8.844
  681    HD2  HIS  91           HD2      HIS  91  -2.175   3.178   4.913
  682    HE1  HIS  91           HE1      HIS  91  -3.395   5.288   8.388
  683    HE2  HIS  91           HE2      HIS  91  -2.426   5.495   6.075
  684    H    LEU  92           HN       LEU  92  -4.502  -0.177   4.231
  685    HA   LEU  92           HA       LEU  92  -5.648   2.302   3.420
  686    HB2  LEU  92           HB2      LEU  92  -4.893  -0.248   2.107
  687    HB3  LEU  92           HB1      LEU  92  -6.140   0.715   1.320
  688    HG   LEU  92           HG       LEU  92  -4.694   2.501   0.914
  689   HD11  LEU  92          HD11      LEU  92  -3.000   1.347   3.102
  690   HD12  LEU  92          HD12      LEU  92  -3.700   2.966   2.978
  691   HD13  LEU  92          HD13      LEU  92  -2.349   2.501   1.942
  692   HD21  LEU  92          HD21      LEU  92  -2.732   1.556  -0.148
  693   HD22  LEU  92          HD22      LEU  92  -4.155   0.559  -0.458
  694   HD23  LEU  92          HD23      LEU  92  -2.965   0.052   0.741
  695    H    LEU  93           HN       LEU  93  -6.841  -0.470   4.854
  696    HA   LEU  93           HA       LEU  93  -9.545  -0.353   3.874
  697    HB2  LEU  93           HB2      LEU  93  -8.233  -1.729   6.184
  698    HB3  LEU  93           HB1      LEU  93  -9.969  -1.734   6.000
  699    HG   LEU  93           HG       LEU  93  -9.882  -3.095   4.091
  700   HD11  LEU  93          HD11      LEU  93  -7.739  -3.684   2.980
  701   HD12  LEU  93          HD12      LEU  93  -6.934  -2.467   3.981
  702   HD13  LEU  93          HD13      LEU  93  -8.175  -1.981   2.823
  703   HD21  LEU  93          HD21      LEU  93  -9.353  -4.201   6.226
  704   HD22  LEU  93          HD22      LEU  93  -7.635  -3.995   5.877
  705   HD23  LEU  93          HD23      LEU  93  -8.637  -5.012   4.836
  706    H    GLU  94           HN       GLU  94  -7.665   0.922   6.434
  707    HA   GLU  94           HA       GLU  94  -9.651   1.904   8.150
  708    HB2  GLU  94           HB2      GLU  94  -6.814   2.649   7.540
  709    HB3  GLU  94           HB1      GLU  94  -7.744   3.552   8.743
  710    HG2  GLU  94           HG2      GLU  94  -7.115   0.607   8.788
  711    HG3  GLU  94           HG1      GLU  94  -6.392   1.849   9.808
  712    H    GLN  95           HN       GLN  95  -8.365   3.039   5.158
  713    HA   GLN  95           HA       GLN  95  -9.373   5.713   5.357
  714    HB2  GLN  95           HB2      GLN  95  -8.568   4.291   2.839
  715    HB3  GLN  95           HB1      GLN  95  -8.361   5.987   3.257
  716    HG2  GLN  95           HG2      GLN  95  -6.906   3.736   4.609
  717    HG3  GLN  95           HG1      GLN  95  -6.264   4.646   3.253
  718   HE21  GLN  95          HE21      GLN  95  -5.402   4.325   6.035
  719   HE22  GLN  95          HE22      GLN  95  -5.247   5.928   6.665
  720    H    ILE  96           HN       ILE  96 -10.568   2.657   4.509
  721    HA   ILE  96           HA       ILE  96 -12.371   3.439   2.441
  722    HB   ILE  96           HB       ILE  96 -12.054   0.869   3.966
  723   HG12  ILE  96          HG12      ILE  96 -10.037   1.722   2.882
  724   HG13  ILE  96          HG11      ILE  96 -10.586   0.225   2.174
  725   HG21  ILE  96          HG21      ILE  96 -13.146  -0.254   2.187
  726   HG22  ILE  96          HG22      ILE  96 -13.235   1.227   1.236
  727   HG23  ILE  96          HG23      ILE  96 -14.197   1.064   2.707
  728   HD11  ILE  96          HD11      ILE  96  -9.779   1.954   0.558
  729   HD12  ILE  96          HD12      ILE  96 -11.183   2.931   1.016
  730   HD13  ILE  96          HD13      ILE  96 -11.413   1.357   0.254
  731    HA   PRO  97           HA       PRO  97 -15.751   4.694   4.847
  732    HB2  PRO  97           HB2      PRO  97 -17.662   4.628   2.989
  733    HB3  PRO  97           HB1      PRO  97 -16.275   5.720   2.849
  734    HG2  PRO  97           HG2      PRO  97 -16.668   3.025   1.598
  735    HG3  PRO  97           HG1      PRO  97 -16.173   4.533   0.825
  736    HD2  PRO  97           HD2      PRO  97 -14.398   2.666   1.576
  737    HD3  PRO  97           HD1      PRO  97 -14.030   4.388   1.643
  738    H    GLY  98           HN       GLY  98 -15.809   2.778   6.297
  739    HA2  GLY  98           HA2      GLY  98 -17.271   1.446   7.489
  740    HA3  GLY  98           HA1      GLY  98 -18.462   1.689   6.226
  741    H    ILE  99           HN       ILE  99 -17.585   0.574   4.058
  742    HA   ILE  99           HA       ILE  99 -17.854  -2.167   4.315
  743    HB   ILE  99           HB       ILE  99 -16.485  -2.118   2.033
  744   HG12  ILE  99          HG12      ILE  99 -17.565   0.640   1.883
  745   HG13  ILE  99          HG11      ILE  99 -16.058   0.429   2.762
  746   HG21  ILE  99          HG21      ILE  99 -18.582  -1.597   0.875
  747   HG22  ILE  99          HG22      ILE  99 -19.254  -0.984   2.388
  748   HG23  ILE  99          HG23      ILE  99 -18.830  -2.689   2.238
  749   HD11  ILE  99          HD11      ILE  99 -15.040  -0.572   0.812
  750   HD12  ILE  99          HD12      ILE  99 -15.674   1.038   0.450
  751   HD13  ILE  99          HD13      ILE  99 -16.555  -0.401  -0.084
  752    H    GLY 100           HN       GLY 100 -14.986  -0.220   4.558
  753    HA2  GLY 100           HA2      GLY 100 -13.287  -2.596   4.572
  754    HA3  GLY 100           HA1      GLY 100 -12.740  -0.927   4.480
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  -5.873  12.118  -1.447
    2    H2   GLY   1           HT2      GLY   1  -7.308  11.302  -1.825
    3    H3   GLY   1           HT3      GLY   1  -7.238  12.309  -0.468
    4    HA2  GLY   1           HA1      GLY   1  -6.926  14.245  -1.863
    5    HA3  GLY   1           HA2      GLY   1  -6.976  13.207  -3.281
    6    H    SER   2           HN       SER   2  -8.849  13.427  -4.317
    7    HA   SER   2           HA       SER   2 -11.303  13.647  -2.698
    8    HB2  SER   2           HB2      SER   2 -12.278  14.821  -4.704
    9    HB3  SER   2           HB1      SER   2 -10.977  15.705  -3.906
   10    HG   SER   2           HG       SER   2  -9.786  15.512  -5.634
   11    H    THR   3           HN       THR   3  -9.586  11.508  -4.321
   12    HA   THR   3           HA       THR   3 -11.752  10.306  -5.874
   13    HB   THR   3           HB       THR   3  -8.855   9.449  -5.659
   14    HG1  THR   3           HG1      THR   3  -8.536  11.229  -6.767
   15   HG21  THR   3          HG21      THR   3  -9.263   8.274  -7.744
   16   HG22  THR   3          HG22      THR   3 -10.928   8.853  -7.771
   17   HG23  THR   3          HG23      THR   3 -10.406   7.728  -6.516
   18    H    ALA   4           HN       ALA   4 -12.399   8.107  -5.494
   19    HA   ALA   4           HA       ALA   4 -11.245   6.559  -3.381
   20    HB1  ALA   4           HB1      ALA   4 -14.022   7.657  -2.908
   21    HB2  ALA   4           HB2      ALA   4 -12.570   8.124  -2.024
   22    HB3  ALA   4           HB3      ALA   4 -13.184   6.475  -1.903
   23    H    THR   5           HN       THR   5 -14.318   6.995  -5.158
   24    HA   THR   5           HA       THR   5 -15.148   4.389  -5.357
   25    HB   THR   5           HB       THR   5 -15.330   6.447  -7.563
   26    HG1  THR   5           HG1      THR   5 -16.819   7.390  -6.373
   27   HG21  THR   5          HG21      THR   5 -17.386   5.259  -8.190
   28   HG22  THR   5          HG22      THR   5 -17.078   4.063  -6.933
   29   HG23  THR   5          HG23      THR   5 -15.979   4.204  -8.304
   30    H    LEU   6           HN       LEU   6 -12.485   5.848  -6.956
   31    HA   LEU   6           HA       LEU   6 -11.892   4.068  -8.975
   32    HB2  LEU   6           HB2      LEU   6 -10.535   5.992  -8.710
   33    HB3  LEU   6           HB1      LEU   6 -10.165   5.588  -7.046
   34    HG   LEU   6           HG       LEU   6  -8.739   3.754  -7.769
   35   HD11  LEU   6          HD11      LEU   6  -9.930   3.127  -9.810
   36   HD12  LEU   6          HD12      LEU   6  -8.222   3.421 -10.135
   37   HD13  LEU   6          HD13      LEU   6  -9.423   4.632 -10.575
   38   HD21  LEU   6          HD21      LEU   6  -8.132   6.326  -9.220
   39   HD22  LEU   6          HD22      LEU   6  -6.966   5.085  -8.760
   40   HD23  LEU   6          HD23      LEU   6  -7.813   6.006  -7.517
   41    H    LEU   7           HN       LEU   7 -10.512   3.874  -5.684
   42    HA   LEU   7           HA       LEU   7  -9.936   1.074  -6.124
   43    HB2  LEU   7           HB2      LEU   7  -8.838   3.119  -4.539
   44    HB3  LEU   7           HB1      LEU   7  -9.515   1.943  -3.422
   45    HG   LEU   7           HG       LEU   7  -7.137   1.491  -3.939
   46   HD11  LEU   7          HD11      LEU   7  -8.776  -0.238  -3.244
   47   HD12  LEU   7          HD12      LEU   7  -7.443  -0.877  -4.210
   48   HD13  LEU   7          HD13      LEU   7  -9.034  -0.629  -4.946
   49   HD21  LEU   7          HD21      LEU   7  -6.462   0.724  -6.089
   50   HD22  LEU   7          HD22      LEU   7  -7.318   2.248  -6.343
   51   HD23  LEU   7          HD23      LEU   7  -8.123   0.716  -6.678
   52    H    THR   8           HN       THR   8 -12.174   3.035  -4.380
   53    HA   THR   8           HA       THR   8 -13.100   1.189  -2.493
   54    HB   THR   8           HB       THR   8 -14.401   3.555  -3.796
   55    HG1  THR   8           HG1      THR   8 -12.685   4.039  -2.419
   56   HG21  THR   8          HG21      THR   8 -16.112   3.495  -2.047
   57   HG22  THR   8          HG22      THR   8 -15.445   1.979  -1.443
   58   HG23  THR   8          HG23      THR   8 -16.182   2.041  -3.044
   59    H    SER   9           HN       SER   9 -13.886   1.609  -5.878
   60    HA   SER   9           HA       SER   9 -16.161  -0.084  -5.934
   61    HB2  SER   9           HB2      SER   9 -15.796   1.441  -7.751
   62    HB3  SER   9           HB1      SER   9 -14.199   0.774  -8.073
   63    HG   SER   9           HG       SER   9 -16.642  -0.668  -8.316
   64    H    LYS  10           HN       LYS  10 -12.751  -0.629  -5.837
   65    HA   LYS  10           HA       LYS  10 -12.787  -3.400  -6.528
   66    HB2  LYS  10           HB2      LYS  10 -10.711  -1.947  -6.503
   67    HB3  LYS  10           HB1      LYS  10 -10.827  -1.934  -4.747
   68    HG2  LYS  10           HG2      LYS  10  -9.192  -3.536  -5.356
   69    HG3  LYS  10           HG1      LYS  10 -10.609  -4.400  -4.767
   70    HD2  LYS  10           HD2      LYS  10 -10.524  -3.925  -7.674
   71    HD3  LYS  10           HD1      LYS  10  -9.293  -5.020  -7.046
   72    HE2  LYS  10           HE2      LYS  10 -11.052  -6.365  -5.984
   73    HE3  LYS  10           HE1      LYS  10 -12.272  -5.284  -6.649
   74    HZ1  LYS  10           HZ1      LYS  10 -11.550  -5.904  -8.872
   75    HZ2  LYS  10           HZ2      LYS  10 -12.024  -7.267  -7.993
   76    HZ3  LYS  10           HZ3      LYS  10 -10.382  -6.943  -8.225
   77    H    LEU  11           HN       LEU  11 -12.424  -1.699  -3.435
   78    HA   LEU  11           HA       LEU  11 -12.473  -4.002  -1.842
   79    HB2  LEU  11           HB2      LEU  11 -13.252  -1.209  -1.038
   80    HB3  LEU  11           HB1      LEU  11 -12.885  -2.514   0.062
   81    HG   LEU  11           HG       LEU  11 -10.883  -1.445   0.109
   82   HD11  LEU  11          HD11      LEU  11 -10.534  -3.710  -0.811
   83   HD12  LEU  11          HD12      LEU  11  -9.277  -2.564  -1.284
   84   HD13  LEU  11          HD13      LEU  11 -10.540  -3.014  -2.436
   85   HD21  LEU  11          HD21      LEU  11 -11.036  -0.719  -2.804
   86   HD22  LEU  11          HD22      LEU  11  -9.991  -0.035  -1.554
   87   HD23  LEU  11          HD23      LEU  11 -11.725   0.288  -1.529
   88    H    ALA  12           HN       ALA  12 -15.056  -2.101  -3.141
   89    HA   ALA  12           HA       ALA  12 -17.175  -2.919  -1.520
   90    HB1  ALA  12           HB1      ALA  12 -17.358  -1.144  -3.189
   91    HB2  ALA  12           HB2      ALA  12 -18.605  -2.368  -3.428
   92    HB3  ALA  12           HB3      ALA  12 -17.190  -2.333  -4.481
   93    H    GLY  13           HN       GLY  13 -15.420  -4.591  -3.998
   94    HA2  GLY  13           HA2      GLY  13 -17.360  -6.749  -4.176
   95    HA3  GLY  13           HA1      GLY  13 -15.848  -6.615  -5.065
   96    H    LEU  14           HN       LEU  14 -14.778  -5.949  -2.153
   97    HA   LEU  14           HA       LEU  14 -14.134  -8.749  -1.570
   98    HB2  LEU  14           HB2      LEU  14 -12.765  -6.187  -0.887
   99    HB3  LEU  14           HB1      LEU  14 -12.305  -7.699  -0.196
  100    HG   LEU  14           HG       LEU  14 -10.805  -7.707  -1.838
  101   HD11  LEU  14          HD11      LEU  14 -11.518  -8.888  -3.816
  102   HD12  LEU  14          HD12      LEU  14 -13.202  -8.480  -3.475
  103   HD13  LEU  14          HD13      LEU  14 -12.313  -9.545  -2.380
  104   HD21  LEU  14          HD21      LEU  14 -12.667  -5.933  -3.377
  105   HD22  LEU  14          HD22      LEU  14 -11.062  -6.424  -3.920
  106   HD23  LEU  14          HD23      LEU  14 -11.241  -5.452  -2.457
  107    H    THR  15           HN       THR  15 -13.634  -9.180   0.648
  108    HA   THR  15           HA       THR  15 -15.273  -7.751   2.609
  109    HB   THR  15           HB       THR  15 -14.858  -9.682   4.047
  110    HG1  THR  15           HG1      THR  15 -13.437 -11.010   2.004
  111   HG21  THR  15          HG21      THR  15 -16.640  -9.912   2.381
  112   HG22  THR  15          HG22      THR  15 -15.853 -11.465   2.675
  113   HG23  THR  15          HG23      THR  15 -15.467 -10.539   1.219
  114    H    ALA  16           HN       ALA  16 -14.008  -7.284   4.719
  115    HA   ALA  16           HA       ALA  16 -11.968  -5.531   4.274
  116    HB1  ALA  16           HB1      ALA  16 -13.087  -5.698   6.416
  117    HB2  ALA  16           HB2      ALA  16 -11.341  -5.792   6.638
  118    HB3  ALA  16           HB3      ALA  16 -12.322  -7.254   6.725
  119    H    THR  17           HN       THR  17 -11.572  -8.990   4.982
  120    HA   THR  17           HA       THR  17  -8.775  -9.033   5.033
  121    HB   THR  17           HB       THR  17 -10.685 -11.241   4.257
  122    HG1  THR  17           HG1      THR  17  -9.633 -11.477   6.716
  123   HG21  THR  17          HG21      THR  17  -7.834 -11.379   5.230
  124   HG22  THR  17          HG22      THR  17  -8.374 -11.695   3.582
  125   HG23  THR  17          HG23      THR  17  -8.886 -12.755   4.898
  126    H    GLU  18           HN       GLU  18 -11.027  -9.612   2.310
  127    HA   GLU  18           HA       GLU  18  -8.956 -10.150   0.470
  128    HB2  GLU  18           HB2      GLU  18 -11.821  -9.343   0.038
  129    HB3  GLU  18           HB1      GLU  18 -10.745  -9.988  -1.182
  130    HG2  GLU  18           HG2      GLU  18 -10.634 -12.088  -0.017
  131    HG3  GLU  18           HG1      GLU  18 -11.599 -11.420   1.297
  132    H    GLN  19           HN       GLN  19 -10.655  -7.301   1.532
  133    HA   GLN  19           HA       GLN  19  -9.734  -5.486  -0.402
  134    HB2  GLN  19           HB2      GLN  19 -10.347  -5.055   2.521
  135    HB3  GLN  19           HB1      GLN  19 -10.206  -3.784   1.322
  136    HG2  GLN  19           HG2      GLN  19 -12.097  -4.626   0.142
  137    HG3  GLN  19           HG1      GLN  19 -12.191  -6.018   1.194
  138   HE21  GLN  19          HE21      GLN  19 -14.261  -4.160   0.645
  139   HE22  GLN  19          HE22      GLN  19 -14.674  -3.415   2.155
  140    H    ARG  20           HN       ARG  20  -8.367  -6.668   2.620
  141    HA   ARG  20           HA       ARG  20  -5.937  -5.247   2.582
  142    HB2  ARG  20           HB2      ARG  20  -6.023  -8.159   3.331
  143    HB3  ARG  20           HB1      ARG  20  -5.061  -6.870   4.040
  144    HG2  ARG  20           HG2      ARG  20  -7.101  -5.917   4.990
  145    HG3  ARG  20           HG1      ARG  20  -8.026  -7.275   4.334
  146    HD2  ARG  20           HD2      ARG  20  -6.699  -8.810   5.674
  147    HD3  ARG  20           HD1      ARG  20  -5.738  -7.475   6.298
  148    HE   ARG  20           HE       ARG  20  -8.456  -7.001   6.837
  149   HH11  ARG  20          HH11      ARG  20  -5.843  -9.105   7.830
  150   HH12  ARG  20          HH12      ARG  20  -6.463  -9.332   9.432
  151   HH21  ARG  20          HH21      ARG  20  -9.270  -7.283   8.955
  152   HH22  ARG  20          HH22      ARG  20  -8.405  -8.288  10.076
  153    H    ALA  21           HN       ALA  21  -6.884  -8.306   1.150
  154    HA   ALA  21           HA       ALA  21  -4.396  -9.095   0.154
  155    HB1  ALA  21           HB1      ALA  21  -5.634 -10.677  -1.209
  156    HB2  ALA  21           HB2      ALA  21  -7.124  -9.779  -0.919
  157    HB3  ALA  21           HB3      ALA  21  -6.311 -10.594   0.417
  158    H    VAL  22           HN       VAL  22  -6.951  -7.222  -1.393
  159    HA   VAL  22           HA       VAL  22  -5.784  -7.350  -3.967
  160    HB   VAL  22           HB       VAL  22  -7.376  -5.503  -4.555
  161   HG11  VAL  22          HG11      VAL  22  -8.653  -7.792  -3.067
  162   HG12  VAL  22          HG12      VAL  22  -7.903  -7.948  -4.656
  163   HG13  VAL  22          HG13      VAL  22  -9.308  -6.906  -4.444
  164   HG21  VAL  22          HG21      VAL  22  -9.100  -4.938  -2.866
  165   HG22  VAL  22          HG22      VAL  22  -7.496  -4.352  -2.430
  166   HG23  VAL  22          HG23      VAL  22  -8.151  -5.794  -1.648
  167    H    THR  23           HN       THR  23  -5.642  -4.771  -1.468
  168    HA   THR  23           HA       THR  23  -3.701  -3.473  -3.200
  169    HB   THR  23           HB       THR  23  -5.141  -1.945  -2.269
  170    HG1  THR  23           HG1      THR  23  -2.973  -1.434  -0.630
  171   HG21  THR  23          HG21      THR  23  -5.515  -1.548   0.064
  172   HG22  THR  23          HG22      THR  23  -4.308  -2.759   0.483
  173   HG23  THR  23          HG23      THR  23  -5.824  -3.256  -0.266
  174    H    ARG  24           HN       ARG  24  -3.617  -5.721  -0.624
  175    HA   ARG  24           HA       ARG  24  -0.920  -5.287   0.129
  176    HB2  ARG  24           HB2      ARG  24  -2.282  -6.988   1.247
  177    HB3  ARG  24           HB1      ARG  24  -2.448  -7.875  -0.257
  178    HG2  ARG  24           HG2      ARG  24   0.201  -7.868  -0.102
  179    HG3  ARG  24           HG1      ARG  24  -0.167  -7.722   1.619
  180    HD2  ARG  24           HD2      ARG  24  -1.598  -9.699   1.467
  181    HD3  ARG  24           HD1      ARG  24  -1.215  -9.838  -0.247
  182    HE   ARG  24           HE       ARG  24   1.166  -9.838   1.243
  183   HH11  ARG  24          HH11      ARG  24  -1.609 -11.874   0.623
  184   HH12  ARG  24          HH12      ARG  24  -0.735 -13.351   0.872
  185   HH21  ARG  24          HH21      ARG  24   2.318 -11.764   1.569
  186   HH22  ARG  24          HH22      ARG  24   1.501 -13.292   1.415
  187    H    LYS  25           HN       LYS  25  -2.491  -6.110  -2.714
  188    HA   LYS  25           HA       LYS  25  -0.096  -6.923  -4.104
  189    HB2  LYS  25           HB2      LYS  25  -1.792  -8.189  -4.935
  190    HB3  LYS  25           HB1      LYS  25  -3.019  -7.022  -4.509
  191    HG2  LYS  25           HG2      LYS  25  -2.950  -7.329  -6.890
  192    HG3  LYS  25           HG1      LYS  25  -2.449  -5.696  -6.464
  193    HD2  LYS  25           HD2      LYS  25  -0.066  -6.496  -6.667
  194    HD3  LYS  25           HD1      LYS  25  -0.707  -8.003  -7.328
  195    HE2  LYS  25           HE2      LYS  25  -1.812  -6.728  -9.114
  196    HE3  LYS  25           HE1      LYS  25  -1.129  -5.240  -8.463
  197    HZ1  LYS  25           HZ1      LYS  25   1.076  -6.071  -8.919
  198    HZ2  LYS  25           HZ2      LYS  25   0.148  -6.102 -10.330
  199    HZ3  LYS  25           HZ3      LYS  25   0.446  -7.535  -9.487
  200    H    LEU  26           HN       LEU  26  -2.432  -4.207  -3.867
  201    HA   LEU  26           HA       LEU  26  -1.279  -2.715  -5.967
  202    HB2  LEU  26           HB2      LEU  26  -3.558  -2.348  -5.334
  203    HB3  LEU  26           HB1      LEU  26  -3.085  -1.924  -3.706
  204    HG   LEU  26           HG       LEU  26  -3.785  -0.054  -5.310
  205   HD11  LEU  26          HD11      LEU  26  -1.187   0.309  -3.889
  206   HD12  LEU  26          HD12      LEU  26  -2.724   0.086  -3.053
  207   HD13  LEU  26          HD13      LEU  26  -2.488   1.483  -4.113
  208   HD21  LEU  26          HD21      LEU  26  -2.019   0.919  -6.648
  209   HD22  LEU  26          HD22      LEU  26  -2.415  -0.709  -7.204
  210   HD23  LEU  26          HD23      LEU  26  -0.963  -0.437  -6.241
  211    H    VAL  27           HN       VAL  27  -0.984  -2.250  -2.393
  212    HA   VAL  27           HA       VAL  27   0.858  -0.159  -2.542
  213    HB   VAL  27           HB       VAL  27  -0.086  -0.658  -0.378
  214   HG11  VAL  27          HG11      VAL  27  -0.424  -3.003  -0.473
  215   HG12  VAL  27          HG12      VAL  27   0.670  -2.692   0.877
  216   HG13  VAL  27          HG13      VAL  27   1.301  -3.308  -0.651
  217   HG21  VAL  27          HG21      VAL  27   1.911  -0.676   1.022
  218   HG22  VAL  27          HG22      VAL  27   2.159   0.348  -0.394
  219   HG23  VAL  27          HG23      VAL  27   2.873  -1.267  -0.334
  220    H    LEU  28           HN       LEU  28   1.221  -3.567  -2.652
  221    HA   LEU  28           HA       LEU  28   3.987  -3.850  -2.721
  222    HB2  LEU  28           HB2      LEU  28   1.893  -5.514  -2.711
  223    HB3  LEU  28           HB1      LEU  28   2.273  -5.572  -4.417
  224    HG   LEU  28           HG       LEU  28   4.437  -6.491  -3.980
  225   HD11  LEU  28          HD11      LEU  28   5.096  -5.241  -2.078
  226   HD12  LEU  28          HD12      LEU  28   5.121  -6.946  -1.626
  227   HD13  LEU  28          HD13      LEU  28   3.784  -5.909  -1.111
  228   HD21  LEU  28          HD21      LEU  28   2.240  -7.738  -2.336
  229   HD22  LEU  28          HD22      LEU  28   3.784  -8.533  -2.667
  230   HD23  LEU  28          HD23      LEU  28   2.696  -8.128  -3.999
  231    H    ASP  29           HN       ASP  29   1.641  -3.436  -5.289
  232    HA   ASP  29           HA       ASP  29   3.427  -3.668  -7.470
  233    HB2  ASP  29           HB2      ASP  29   0.908  -3.888  -7.548
  234    HB3  ASP  29           HB1      ASP  29   0.826  -2.142  -7.403
  235    H    GLN  30           HN       GLN  30   2.058  -0.939  -5.717
  236    HA   GLN  30           HA       GLN  30   3.260   1.126  -7.144
  237    HB2  GLN  30           HB2      GLN  30   2.621   0.992  -4.219
  238    HB3  GLN  30           HB1      GLN  30   2.833   2.455  -5.164
  239    HG2  GLN  30           HG2      GLN  30   0.621   0.432  -5.446
  240    HG3  GLN  30           HG1      GLN  30   0.510   2.074  -4.827
  241   HE21  GLN  30          HE21      GLN  30   0.870   0.099  -7.649
  242   HE22  GLN  30          HE22      GLN  30   0.544   1.341  -8.814
  243    H    ALA  31           HN       ALA  31   4.303  -0.597  -4.259
  244    HA   ALA  31           HA       ALA  31   6.709   0.797  -3.801
  245    HB1  ALA  31           HB1      ALA  31   6.048  -2.085  -3.184
  246    HB2  ALA  31           HB2      ALA  31   5.589  -0.704  -2.181
  247    HB3  ALA  31           HB3      ALA  31   7.295  -1.102  -2.407
  248    H    ALA  32           HN       ALA  32   5.775  -1.737  -5.900
  249    HA   ALA  32           HA       ALA  32   8.354  -2.635  -6.648
  250    HB1  ALA  32           HB1      ALA  32   6.706  -4.177  -7.106
  251    HB2  ALA  32           HB2      ALA  32   6.849  -3.414  -8.693
  252    HB3  ALA  32           HB3      ALA  32   5.532  -2.947  -7.603
  253    H    SER  33           HN       SER  33   5.993  -0.364  -7.959
  254    HA   SER  33           HA       SER  33   7.397   0.359 -10.280
  255    HB2  SER  33           HB2      SER  33   5.422   1.868  -8.562
  256    HB3  SER  33           HB1      SER  33   5.943   2.402 -10.167
  257    HG   SER  33           HG       SER  33   5.056  -0.214 -10.019
  258    H    VAL  34           HN       VAL  34   7.511   1.509  -6.972
  259    HA   VAL  34           HA       VAL  34   9.191   3.729  -7.313
  260    HB   VAL  34           HB       VAL  34   9.174   1.908  -4.922
  261   HG11  VAL  34          HG11      VAL  34  10.846   3.607  -4.779
  262   HG12  VAL  34          HG12      VAL  34   9.519   4.070  -3.710
  263   HG13  VAL  34          HG13      VAL  34   9.702   4.850  -5.280
  264   HG21  VAL  34          HG21      VAL  34   7.335   3.234  -4.054
  265   HG22  VAL  34          HG22      VAL  34   6.907   2.333  -5.503
  266   HG23  VAL  34          HG23      VAL  34   7.215   4.069  -5.600
  267    H    LEU  35           HN       LEU  35   9.812   0.465  -6.186
  268    HA   LEU  35           HA       LEU  35  12.548   0.839  -5.793
  269    HB2  LEU  35           HB2      LEU  35  10.540  -1.217  -5.577
  270    HB3  LEU  35           HB1      LEU  35  12.133  -1.861  -5.941
  271    HG   LEU  35           HG       LEU  35  12.930  -1.364  -3.855
  272   HD11  LEU  35          HD11      LEU  35  12.743   1.051  -3.962
  273   HD12  LEU  35          HD12      LEU  35  12.071   0.488  -2.431
  274   HD13  LEU  35          HD13      LEU  35  10.993   0.954  -3.754
  275   HD21  LEU  35          HD21      LEU  35  10.934  -1.479  -2.243
  276   HD22  LEU  35          HD22      LEU  35  11.203  -2.812  -3.365
  277   HD23  LEU  35          HD23      LEU  35   9.964  -1.602  -3.719
  278    H    GLY  36           HN       GLY  36  10.776  -0.325  -8.593
  279    HA2  GLY  36           HA2      GLY  36  12.167   0.030 -10.682
  280    HA3  GLY  36           HA1      GLY  36  13.370  -0.924  -9.834
  281    H    TYR  37           HN       TYR  37  10.114  -1.796  -9.409
  282    HA   TYR  37           HA       TYR  37  10.717  -4.314 -10.794
  283    HB2  TYR  37           HB2      TYR  37   8.639  -3.801  -8.673
  284    HB3  TYR  37           HB1      TYR  37   9.240  -5.356  -9.218
  285    HD1  TYR  37           HD1      TYR  37   9.124  -4.357  -6.326
  286    HD2  TYR  37           HD2      TYR  37  12.171  -4.281  -9.277
  287    HE1  TYR  37           HE1      TYR  37  10.818  -4.317  -4.555
  288    HE2  TYR  37           HE2      TYR  37  13.871  -4.222  -7.534
  289    HH   TYR  37           HH       TYR  37  14.103  -3.593  -5.182
  290    H    ALA  38           HN       ALA  38   8.793  -5.489 -11.650
  291    HA   ALA  38           HA       ALA  38   6.732  -3.672 -12.704
  292    HB1  ALA  38           HB1      ALA  38   6.951  -4.646 -14.917
  293    HB2  ALA  38           HB2      ALA  38   8.251  -5.693 -14.344
  294    HB3  ALA  38           HB3      ALA  38   8.486  -3.945 -14.401
  295    H    SER  39           HN       SER  39   7.394  -6.400 -11.001
  296    HA   SER  39           HA       SER  39   4.709  -7.427 -11.367
  297    HB2  SER  39           HB2      SER  39   5.921  -8.662 -13.080
  298    HB3  SER  39           HB1      SER  39   7.167  -9.113 -11.920
  299    HG   SER  39           HG       SER  39   5.394 -10.178 -10.741
  300    H    THR  40           HN       THR  40   6.303  -6.110  -9.288
  301    HA   THR  40           HA       THR  40   7.013  -6.253  -7.129
  302    HB   THR  40           HB       THR  40   5.490  -7.510  -5.600
  303    HG1  THR  40           HG1      THR  40   4.877  -8.835  -7.842
  304   HG21  THR  40          HG21      THR  40   4.275  -5.725  -7.697
  305   HG22  THR  40          HG22      THR  40   4.949  -5.244  -6.136
  306   HG23  THR  40          HG23      THR  40   3.455  -6.184  -6.206
  307    H    GLU  41           HN       GLU  41   8.490  -7.805  -8.818
  308    HA   GLU  41           HA       GLU  41   8.666 -10.526  -8.104
  309    HB2  GLU  41           HB2      GLU  41  10.833 -10.409  -9.419
  310    HB3  GLU  41           HB1      GLU  41   9.371  -9.927 -10.262
  311    HG2  GLU  41           HG2      GLU  41  10.964  -7.802  -8.956
  312    HG3  GLU  41           HG1      GLU  41  11.594  -8.533 -10.431
  313    H    SER  42           HN       SER  42  10.384  -7.686  -6.939
  314    HA   SER  42           HA       SER  42  11.952  -9.461  -5.198
  315    HB2  SER  42           HB2      SER  42  13.287  -8.183  -6.862
  316    HB3  SER  42           HB1      SER  42  12.698  -6.685  -6.148
  317    HG   SER  42           HG       SER  42  13.778  -8.408  -4.312
  318    H    LEU  43           HN       LEU  43   9.335  -8.617  -4.564
  319    HA   LEU  43           HA       LEU  43   9.879  -6.866  -2.277
  320    HB2  LEU  43           HB2      LEU  43   7.380  -7.402  -3.836
  321    HB3  LEU  43           HB1      LEU  43   7.391  -6.523  -2.315
  322    HG   LEU  43           HG       LEU  43   8.980  -5.692  -4.730
  323   HD11  LEU  43          HD11      LEU  43   7.268  -4.007  -5.059
  324   HD12  LEU  43          HD12      LEU  43   6.319  -4.719  -3.750
  325   HD13  LEU  43          HD13      LEU  43   6.623  -5.641  -5.222
  326   HD21  LEU  43          HD21      LEU  43   8.259  -4.324  -2.150
  327   HD22  LEU  43          HD22      LEU  43   9.078  -3.556  -3.509
  328   HD23  LEU  43          HD23      LEU  43   9.859  -4.879  -2.640
  329    H    ASP  44           HN       ASP  44   8.523  -7.201  -0.408
  330    HA   ASP  44           HA       ASP  44   7.617  -9.948   0.065
  331    HB2  ASP  44           HB2      ASP  44  10.058  -9.237   1.007
  332    HB3  ASP  44           HB1      ASP  44   9.051  -8.578   2.284
  333    H    THR  45           HN       THR  45   5.713  -9.946   1.226
  334    HA   THR  45           HA       THR  45   4.718  -7.328   2.051
  335    HB   THR  45           HB       THR  45   2.575  -8.697   2.471
  336    HG1  THR  45           HG1      THR  45   3.874 -10.491   0.674
  337   HG21  THR  45          HG21      THR  45   2.016  -8.649   0.048
  338   HG22  THR  45          HG22      THR  45   3.705  -8.260  -0.281
  339   HG23  THR  45          HG23      THR  45   2.710  -7.155   0.666
  340    H    HIS  46           HN       HIS  46   6.316  -9.926   3.353
  341    HA   HIS  46           HA       HIS  46   5.107  -9.582   6.006
  342    HB2  HIS  46           HB2      HIS  46   6.953 -11.718   4.922
  343    HB3  HIS  46           HB1      HIS  46   6.428 -11.629   6.594
  344    HD1  HIS  46           HD1      HIS  46   4.712 -13.339   7.003
  345    HD2  HIS  46           HD2      HIS  46   4.338 -11.655   3.228
  346    HE1  HIS  46           HE1      HIS  46   2.739 -14.485   5.949
  347    HE2  HIS  46           HE2      HIS  46   2.676 -13.608   3.589
  348    H    GLU  47           HN       GLU  47   7.476  -8.262   4.208
  349    HA   GLU  47           HA       GLU  47   9.191  -7.789   6.543
  350    HB2  GLU  47           HB2      GLU  47  11.035  -8.315   5.399
  351    HB3  GLU  47           HB1      GLU  47   9.964  -9.066   4.234
  352    HG2  GLU  47           HG2      GLU  47   9.955  -6.947   2.941
  353    HG3  GLU  47           HG1      GLU  47  11.132  -6.295   4.092
  354    H    SER  48           HN       SER  48  10.179  -5.666   6.598
  355    HA   SER  48           HA       SER  48   8.060  -3.793   5.987
  356    HB2  SER  48           HB2      SER  48  10.592  -3.193   7.505
  357    HB3  SER  48           HB1      SER  48   9.019  -2.409   7.629
  358    HG   SER  48           HG       SER  48   8.876  -5.080   8.135
  359    H    PHE  49           HN       PHE  49   8.297  -1.875   4.927
  360    HA   PHE  49           HA       PHE  49   9.654  -1.841   2.528
  361    HB2  PHE  49           HB2      PHE  49   8.682   0.516   4.131
  362    HB3  PHE  49           HB1      PHE  49   9.148   0.578   2.437
  363    HD1  PHE  49           HD1      PHE  49   7.730  -0.277   0.736
  364    HD2  PHE  49           HD2      PHE  49   6.647  -0.633   4.828
  365    HE1  PHE  49           HE1      PHE  49   5.463  -0.915   0.076
  366    HE2  PHE  49           HE2      PHE  49   4.366  -1.274   4.171
  367    HZ   PHE  49           HZ       PHE  49   3.726  -1.288   1.853
  368    H    LYS  50           HN       LYS  50  10.697  -0.628   5.612
  369    HA   LYS  50           HA       LYS  50  13.001   0.680   5.146
  370    HB2  LYS  50           HB2      LYS  50  11.999  -0.172   7.327
  371    HB3  LYS  50           HB1      LYS  50  12.840  -1.678   7.006
  372    HG2  LYS  50           HG2      LYS  50  14.094  -0.329   8.542
  373    HG3  LYS  50           HG1      LYS  50  14.969  -0.497   7.024
  374    HD2  LYS  50           HD2      LYS  50  15.160   1.776   7.781
  375    HD3  LYS  50           HD1      LYS  50  14.127   1.743   6.355
  376    HE2  LYS  50           HE2      LYS  50  13.206   3.226   8.043
  377    HE3  LYS  50           HE1      LYS  50  12.145   1.843   7.797
  378    HZ1  LYS  50           HZ1      LYS  50  12.445   2.393  10.149
  379    HZ2  LYS  50           HZ2      LYS  50  14.106   2.105  10.013
  380    HZ3  LYS  50           HZ3      LYS  50  13.008   0.841   9.793
  381    H    ASP  51           HN       ASP  51  12.659  -2.824   5.189
  382    HA   ASP  51           HA       ASP  51  15.297  -3.359   4.294
  383    HB2  ASP  51           HB2      ASP  51  13.755  -4.931   5.575
  384    HB3  ASP  51           HB1      ASP  51  12.963  -5.237   4.036
  385    H    LEU  52           HN       LEU  52  12.278  -2.760   2.706
  386    HA   LEU  52           HA       LEU  52  12.946  -3.769   0.140
  387    HB2  LEU  52           HB2      LEU  52  10.860  -1.904   1.195
  388    HB3  LEU  52           HB1      LEU  52  11.049  -2.118  -0.519
  389    HG   LEU  52           HG       LEU  52  10.540  -4.515  -0.292
  390   HD11  LEU  52          HD11      LEU  52  10.207  -3.819   2.606
  391   HD12  LEU  52          HD12      LEU  52  11.364  -4.954   1.908
  392   HD13  LEU  52          HD13      LEU  52   9.635  -5.312   1.866
  393   HD21  LEU  52          HD21      LEU  52   8.689  -3.027  -0.720
  394   HD22  LEU  52          HD22      LEU  52   8.534  -2.688   1.003
  395   HD23  LEU  52          HD23      LEU  52   8.190  -4.307   0.393
  396    H    GLY  53           HN       GLY  53  13.765  -0.980   1.892
  397    HA2  GLY  53           HA2      GLY  53  15.718   0.186   1.202
  398    HA3  GLY  53           HA1      GLY  53  15.221  -0.014  -0.464
  399    H    PHE  54           HN       PHE  54  12.618   0.850   1.555
  400    HA   PHE  54           HA       PHE  54  12.494   3.405   0.315
  401    HB2  PHE  54           HB2      PHE  54  10.758   2.092   2.410
  402    HB3  PHE  54           HB1      PHE  54  10.446   3.689   1.737
  403    HD1  PHE  54           HD1      PHE  54   9.661   3.971  -0.509
  404    HD2  PHE  54           HD2      PHE  54  10.592   0.123   1.029
  405    HE1  PHE  54           HE1      PHE  54   8.472   2.945  -2.389
  406    HE2  PHE  54           HE2      PHE  54   9.420  -0.925  -0.839
  407    HZ   PHE  54           HZ       PHE  54   8.483   0.536  -2.686
  408    H    ASP  55           HN       ASP  55  12.174   5.416   1.465
  409    HA   ASP  55           HA       ASP  55  13.383   5.842   4.027
  410    HB2  ASP  55           HB2      ASP  55  15.348   5.443   2.405
  411    HB3  ASP  55           HB1      ASP  55  14.874   6.959   1.642
  412    H    SER  56           HN       SER  56  14.083   8.572   3.619
  413    HA   SER  56           HA       SER  56  11.460   9.749   3.351
  414    HB2  SER  56           HB2      SER  56  13.352  10.418   4.997
  415    HB3  SER  56           HB1      SER  56  14.044  11.283   3.627
  416    HG   SER  56           HG       SER  56  12.414  12.328   5.204
  417    H    LEU  57           HN       LEU  57  12.241   8.524   1.044
  418    HA   LEU  57           HA       LEU  57  12.308  10.655  -0.925
  419    HB2  LEU  57           HB2      LEU  57  14.017   8.193  -1.046
  420    HB3  LEU  57           HB1      LEU  57  14.000   9.498  -2.215
  421    HG   LEU  57           HG       LEU  57  14.869   9.825   0.648
  422   HD11  LEU  57          HD11      LEU  57  16.320   8.215  -0.453
  423   HD12  LEU  57          HD12      LEU  57  17.167   9.740  -0.193
  424   HD13  LEU  57          HD13      LEU  57  16.562   9.328  -1.798
  425   HD21  LEU  57          HD21      LEU  57  14.180  11.874  -0.455
  426   HD22  LEU  57          HD22      LEU  57  15.260  11.532  -1.808
  427   HD23  LEU  57          HD23      LEU  57  15.928  11.866  -0.209
  428    H    THR  58           HN       THR  58  12.631   7.139  -0.919
  429    HA   THR  58           HA       THR  58  10.864   6.777  -3.103
  430    HB   THR  58           HB       THR  58  11.090   4.300  -2.292
  431    HG1  THR  58           HG1      THR  58  13.238   4.290  -1.072
  432   HG21  THR  58          HG21      THR  58  13.522   5.857  -3.159
  433   HG22  THR  58          HG22      THR  58  12.247   5.282  -4.232
  434   HG23  THR  58          HG23      THR  58  13.259   4.128  -3.366
  435    H    ALA  59           HN       ALA  59  10.542   6.347   0.387
  436    HA   ALA  59           HA       ALA  59   8.020   5.187   0.440
  437    HB1  ALA  59           HB1      ALA  59   9.092   7.219   2.407
  438    HB2  ALA  59           HB2      ALA  59   9.510   5.509   2.420
  439    HB3  ALA  59           HB3      ALA  59   7.843   6.009   2.709
  440    H    LEU  60           HN       LEU  60   9.065   8.470  -0.021
  441    HA   LEU  60           HA       LEU  60   6.588   9.745   0.345
  442    HB2  LEU  60           HB2      LEU  60   9.100  10.513  -1.119
  443    HB3  LEU  60           HB1      LEU  60   7.707  11.576  -1.039
  444    HG   LEU  60           HG       LEU  60   9.440  12.158   0.629
  445   HD11  LEU  60          HD11      LEU  60   6.895  11.119   1.836
  446   HD12  LEU  60          HD12      LEU  60   7.100  12.689   1.061
  447   HD13  LEU  60          HD13      LEU  60   7.974  12.314   2.548
  448   HD21  LEU  60          HD21      LEU  60   9.761  10.722   2.583
  449   HD22  LEU  60          HD22      LEU  60  10.320   9.941   1.102
  450   HD23  LEU  60          HD23      LEU  60   8.776   9.473   1.820
  451    H    GLU  61           HN       GLU  61   8.264   8.643  -2.601
  452    HA   GLU  61           HA       GLU  61   6.055   9.389  -4.268
  453    HB2  GLU  61           HB2      GLU  61   7.264   7.834  -5.949
  454    HB3  GLU  61           HB1      GLU  61   8.054   9.333  -5.462
  455    HG2  GLU  61           HG2      GLU  61   9.398   8.069  -3.847
  456    HG3  GLU  61           HG1      GLU  61   8.625   6.584  -4.391
  457    H    LEU  62           HN       LEU  62   6.991   6.466  -2.572
  458    HA   LEU  62           HA       LEU  62   5.043   4.759  -3.735
  459    HB2  LEU  62           HB2      LEU  62   6.798   3.811  -2.408
  460    HB3  LEU  62           HB1      LEU  62   6.304   4.746  -1.011
  461    HG   LEU  62           HG       LEU  62   4.184   3.516  -0.922
  462   HD11  LEU  62          HD11      LEU  62   5.340   1.971  -3.222
  463   HD12  LEU  62          HD12      LEU  62   3.915   3.009  -3.251
  464   HD13  LEU  62          HD13      LEU  62   3.904   1.516  -2.308
  465   HD21  LEU  62          HD21      LEU  62   6.207   2.773   0.287
  466   HD22  LEU  62          HD22      LEU  62   6.543   1.666  -1.046
  467   HD23  LEU  62          HD23      LEU  62   5.074   1.475  -0.087
  468    H    ARG  63           HN       ARG  63   5.034   6.766  -0.834
  469    HA   ARG  63           HA       ARG  63   2.449   6.220   0.069
  470    HB2  ARG  63           HB2      ARG  63   3.859   7.421   1.520
  471    HB3  ARG  63           HB1      ARG  63   4.343   8.549   0.264
  472    HG2  ARG  63           HG2      ARG  63   1.733   9.130   0.371
  473    HG3  ARG  63           HG1      ARG  63   1.990   8.598   2.036
  474    HD2  ARG  63           HD2      ARG  63   2.328  11.029   1.734
  475    HD3  ARG  63           HD1      ARG  63   3.765  10.197   2.323
  476    HE   ARG  63           HE       ARG  63   4.413  10.220  -0.172
  477   HH11  ARG  63          HH11      ARG  63   2.679  12.751   1.499
  478   HH12  ARG  63          HH12      ARG  63   3.219  14.005   0.428
  479   HH21  ARG  63          HH21      ARG  63   5.118  11.859  -1.597
  480   HH22  ARG  63          HH22      ARG  63   4.592  13.493  -1.348
  481    H    ASP  64           HN       ASP  64   3.794   8.595  -2.127
  482    HA   ASP  64           HA       ASP  64   1.509   9.916  -2.945
  483    HB2  ASP  64           HB2      ASP  64   3.878  10.516  -3.465
  484    HB3  ASP  64           HB1      ASP  64   3.873   9.227  -4.658
  485    H    HIS  65           HN       HIS  65   2.988   6.936  -4.117
  486    HA   HIS  65           HA       HIS  65   1.261   6.443  -6.265
  487    HB2  HIS  65           HB2      HIS  65   2.832   4.588  -4.517
  488    HB3  HIS  65           HB1      HIS  65   1.932   4.048  -5.911
  489    HD1  HIS  65           HD1      HIS  65   2.948   6.718  -7.604
  490    HD2  HIS  65           HD2      HIS  65   5.176   3.826  -5.658
  491    HE1  HIS  65           HE1      HIS  65   5.244   6.766  -8.671
  492    HE2  HIS  65           HE2      HIS  65   6.521   4.931  -7.561
  493    H    LEU  66           HN       LEU  66   1.040   5.520  -2.823
  494    HA   LEU  66           HA       LEU  66  -1.172   3.786  -3.177
  495    HB2  LEU  66           HB2      LEU  66   0.031   5.199  -0.846
  496    HB3  LEU  66           HB1      LEU  66  -1.489   4.359  -0.657
  497    HG   LEU  66           HG       LEU  66  -0.531   2.276  -0.806
  498   HD11  LEU  66          HD11      LEU  66   1.771   3.479  -2.331
  499   HD12  LEU  66          HD12      LEU  66   0.457   2.517  -3.006
  500   HD13  LEU  66          HD13      LEU  66   1.605   1.779  -1.894
  501   HD21  LEU  66          HD21      LEU  66   1.699   4.037   0.173
  502   HD22  LEU  66          HD22      LEU  66   1.596   2.294   0.429
  503   HD23  LEU  66          HD23      LEU  66   0.382   3.363   1.133
  504    H    GLN  67           HN       GLN  67  -0.931   7.195  -2.367
  505    HA   GLN  67           HA       GLN  67  -3.728   7.570  -1.887
  506    HB2  GLN  67           HB2      GLN  67  -1.833   9.727  -2.759
  507    HB3  GLN  67           HB1      GLN  67  -3.234   9.865  -1.705
  508    HG2  GLN  67           HG2      GLN  67  -2.141   8.928   0.091
  509    HG3  GLN  67           HG1      GLN  67  -0.950   8.147  -0.952
  510   HE21  GLN  67          HE21      GLN  67  -0.319  10.399  -2.519
  511   HE22  GLN  67          HE22      GLN  67   0.583  11.484  -1.538
  512    H    THR  68           HN       THR  68  -1.597   7.843  -4.649
  513    HA   THR  68           HA       THR  68  -3.486   8.889  -6.440
  514    HB   THR  68           HB       THR  68  -0.832   7.567  -6.517
  515    HG1  THR  68           HG1      THR  68  -0.337   9.595  -6.575
  516   HG21  THR  68          HG21      THR  68  -0.742   7.674  -8.961
  517   HG22  THR  68          HG22      THR  68  -2.449   8.120  -9.006
  518   HG23  THR  68          HG23      THR  68  -1.964   6.534  -8.403
  519    H    ALA  69           HN       ALA  69  -2.281   5.698  -5.747
  520    HA   ALA  69           HA       ALA  69  -3.839   4.153  -7.409
  521    HB1  ALA  69           HB1      ALA  69  -1.946   3.309  -6.186
  522    HB2  ALA  69           HB2      ALA  69  -3.379   2.337  -5.837
  523    HB3  ALA  69           HB3      ALA  69  -2.809   3.529  -4.665
  524    H    THR  70           HN       THR  70  -4.520   5.100  -4.042
  525    HA   THR  70           HA       THR  70  -7.089   3.709  -4.179
  526    HB   THR  70           HB       THR  70  -7.222   4.097  -1.773
  527    HG1  THR  70           HG1      THR  70  -4.692   5.362  -1.828
  528   HG21  THR  70          HG21      THR  70  -5.263   2.869  -1.055
  529   HG22  THR  70          HG22      THR  70  -4.417   3.301  -2.540
  530   HG23  THR  70          HG23      THR  70  -5.820   2.229  -2.601
  531    H    GLY  71           HN       GLY  71  -5.793   6.938  -3.872
  532    HA2  GLY  71           HA2      GLY  71  -6.953   8.908  -4.475
  533    HA3  GLY  71           HA1      GLY  71  -8.475   8.047  -4.270
  534    H    LEU  72           HN       LEU  72  -6.605   7.214  -1.743
  535    HA   LEU  72           HA       LEU  72  -8.263   8.853   0.013
  536    HB2  LEU  72           HB2      LEU  72  -6.744   6.285   0.309
  537    HB3  LEU  72           HB1      LEU  72  -7.283   7.163   1.724
  538    HG   LEU  72           HG       LEU  72  -8.786   5.300   1.080
  539   HD11  LEU  72          HD11      LEU  72 -10.094   7.996   0.820
  540   HD12  LEU  72          HD12      LEU  72  -9.615   7.240   2.340
  541   HD13  LEU  72          HD13      LEU  72 -10.855   6.488   1.336
  542   HD21  LEU  72          HD21      LEU  72 -10.244   5.510  -0.856
  543   HD22  LEU  72          HD22      LEU  72  -8.551   5.410  -1.341
  544   HD23  LEU  72          HD23      LEU  72  -9.381   6.965  -1.357
  545    H    ASN  73           HN       ASN  73  -6.750   8.758   2.339
  546    HA   ASN  73           HA       ASN  73  -4.667  10.704   1.602
  547    HB2  ASN  73           HB2      ASN  73  -6.694  11.760   2.523
  548    HB3  ASN  73           HB1      ASN  73  -6.532  10.786   3.979
  549   HD21  ASN  73          HD21      ASN  73  -6.333  12.562   5.316
  550   HD22  ASN  73          HD22      ASN  73  -4.913  13.552   5.341
  551    H    LEU  74           HN       LEU  74  -2.921   9.331   1.817
  552    HA   LEU  74           HA       LEU  74  -2.538   8.007   4.377
  553    HB2  LEU  74           HB2      LEU  74  -0.979   7.865   1.797
  554    HB3  LEU  74           HB1      LEU  74  -0.583   6.962   3.257
  555    HG   LEU  74           HG       LEU  74  -3.065   6.104   3.005
  556   HD11  LEU  74          HD11      LEU  74  -3.586   7.566   1.078
  557   HD12  LEU  74          HD12      LEU  74  -3.795   5.854   0.716
  558   HD13  LEU  74          HD13      LEU  74  -2.363   6.713   0.134
  559   HD21  LEU  74          HD21      LEU  74  -1.227   4.624   3.024
  560   HD22  LEU  74          HD22      LEU  74  -0.685   5.173   1.437
  561   HD23  LEU  74          HD23      LEU  74  -2.178   4.250   1.587
  562    H    SER  75           HN       SER  75   0.453   8.170   4.301
  563    HA   SER  75           HA       SER  75   0.735  10.996   5.006
  564    HB2  SER  75           HB2      SER  75  -0.211   9.758   6.991
  565    HB3  SER  75           HB1      SER  75   1.295   8.847   7.052
  566    HG   SER  75           HG       SER  75   2.136  10.467   8.071
  567    H    SER  76           HN       SER  76   3.046  11.383   5.968
  568    HA   SER  76           HA       SER  76   4.799  10.788   3.846
  569    HB2  SER  76           HB2      SER  76   4.849  12.828   5.346
  570    HB3  SER  76           HB1      SER  76   5.618  11.815   6.566
  571    HG   SER  76           HG       SER  76   7.372  11.544   5.235
  572    H    THR  77           HN       THR  77   4.680   9.547   7.171
  573    HA   THR  77           HA       THR  77   6.847   7.675   6.518
  574    HB   THR  77           HB       THR  77   6.906   7.266   9.003
  575    HG1  THR  77           HG1      THR  77   5.863   8.922  10.281
  576   HG21  THR  77          HG21      THR  77   7.368  10.079   8.026
  577   HG22  THR  77          HG22      THR  77   8.511   8.739   7.949
  578   HG23  THR  77          HG23      THR  77   8.034   9.405   9.512
  579    H    LEU  78           HN       LEU  78   4.232   7.476   5.557
  580    HA   LEU  78           HA       LEU  78   2.365   5.933   6.792
  581    HB2  LEU  78           HB2      LEU  78   2.190   7.022   4.609
  582    HB3  LEU  78           HB1      LEU  78   3.307   5.868   3.945
  583    HG   LEU  78           HG       LEU  78   0.703   5.705   3.573
  584   HD11  LEU  78          HD11      LEU  78   1.002   3.265   3.222
  585   HD12  LEU  78          HD12      LEU  78   2.609   3.425   3.931
  586   HD13  LEU  78          HD13      LEU  78   2.205   4.296   2.441
  587   HD21  LEU  78          HD21      LEU  78  -0.229   5.420   5.605
  588   HD22  LEU  78          HD22      LEU  78   1.166   4.567   6.265
  589   HD23  LEU  78          HD23      LEU  78   0.048   3.731   5.182
  590    H    ILE  79           HN       ILE  79   4.913   4.643   4.682
  591    HA   ILE  79           HA       ILE  79   4.372   1.925   5.446
  592    HB   ILE  79           HB       ILE  79   6.179   1.359   3.947
  593   HG12  ILE  79          HG12      ILE  79   6.776   4.305   4.037
  594   HG13  ILE  79          HG11      ILE  79   7.855   2.967   4.425
  595   HG21  ILE  79          HG21      ILE  79   5.404   2.464   1.907
  596   HG22  ILE  79          HG22      ILE  79   4.493   3.617   2.889
  597   HG23  ILE  79          HG23      ILE  79   4.068   1.901   2.911
  598   HD11  ILE  79          HD11      ILE  79   6.853   3.842   1.747
  599   HD12  ILE  79          HD12      ILE  79   7.650   2.286   2.013
  600   HD13  ILE  79          HD13      ILE  79   8.518   3.787   2.330
  601    H    PHE  80           HN       PHE  80   5.804   4.181   7.220
  602    HA   PHE  80           HA       PHE  80   7.630   2.228   8.439
  603    HB2  PHE  80           HB2      PHE  80   7.787   5.250   8.493
  604    HB3  PHE  80           HB1      PHE  80   8.877   4.164   9.352
  605    HD1  PHE  80           HD1      PHE  80   9.031   6.287   6.849
  606    HD2  PHE  80           HD2      PHE  80   9.415   2.084   7.401
  607    HE1  PHE  80           HE1      PHE  80  10.495   6.176   4.877
  608    HE2  PHE  80           HE2      PHE  80  10.870   1.956   5.425
  609    HZ   PHE  80           HZ       PHE  80  11.312   3.954   4.089
  610    H    ASP  81           HN       ASP  81   4.825   3.988   8.621
  611    HA   ASP  81           HA       ASP  81   4.449   3.779  11.477
  612    HB2  ASP  81           HB2      ASP  81   3.313   5.367   9.561
  613    HB3  ASP  81           HB1      ASP  81   2.130   4.081   9.704
  614    H    HIS  82           HN       HIS  82   3.565   2.310   8.486
  615    HA   HIS  82           HA       HIS  82   2.611  -0.097   9.850
  616    HB2  HIS  82           HB2      HIS  82   1.801   0.865   7.100
  617    HB3  HIS  82           HB1      HIS  82   1.072  -0.431   8.035
  618    HD1  HIS  82           HD1      HIS  82  -0.389   0.293  10.116
  619    HD2  HIS  82           HD2      HIS  82   0.909   3.408   7.676
  620    HE1  HIS  82           HE1      HIS  82  -1.707   2.306  10.833
  621    HE2  HIS  82           HE2      HIS  82  -0.729   4.215   9.518
  622    HA   PRO  83           HA       PRO  83   6.622  -0.989   8.452
  623    HB2  PRO  83           HB2      PRO  83   6.643  -3.678   9.040
  624    HB3  PRO  83           HB1      PRO  83   6.869  -2.393  10.231
  625    HG2  PRO  83           HG2      PRO  83   4.378  -3.920   9.540
  626    HG3  PRO  83           HG1      PRO  83   5.012  -3.468  11.139
  627    HD2  PRO  83           HD2      PRO  83   3.028  -2.079   9.997
  628    HD3  PRO  83           HD1      PRO  83   4.290  -1.268  10.933
  629    H    THR  84           HN       THR  84   4.058  -3.180   7.329
  630    HA   THR  84           HA       THR  84   5.756  -3.792   5.025
  631    HB   THR  84           HB       THR  84   4.748  -6.013   4.988
  632    HG1  THR  84           HG1      THR  84   3.668  -6.238   7.368
  633   HG21  THR  84          HG21      THR  84   5.809  -6.918   7.006
  634   HG22  THR  84          HG22      THR  84   5.870  -5.297   7.701
  635   HG23  THR  84          HG23      THR  84   6.821  -5.674   6.266
  636    HA   PRO  85           HA       PRO  85   2.450  -2.626   2.303
  637    HB2  PRO  85           HB2      PRO  85   2.789  -5.254   0.983
  638    HB3  PRO  85           HB1      PRO  85   2.903  -3.637   0.287
  639    HG2  PRO  85           HG2      PRO  85   5.076  -5.161   0.711
  640    HG3  PRO  85           HG1      PRO  85   5.113  -3.396   0.866
  641    HD2  PRO  85           HD2      PRO  85   5.089  -5.478   2.984
  642    HD3  PRO  85           HD1      PRO  85   5.858  -3.885   2.976
  643    H    HIS  86           HN       HIS  86   2.604  -5.484   4.077
  644    HA   HIS  86           HA       HIS  86  -0.113  -6.345   3.703
  645    HB2  HIS  86           HB2      HIS  86   1.220  -8.084   4.403
  646    HB3  HIS  86           HB1      HIS  86   2.207  -7.064   5.421
  647    HD1  HIS  86           HD1      HIS  86  -0.509  -9.495   5.549
  648    HD2  HIS  86           HD2      HIS  86   0.918  -6.409   7.953
  649    HE1  HIS  86           HE1      HIS  86  -1.409  -9.961   7.849
  650    HE2  HIS  86           HE2      HIS  86  -0.440  -8.156   9.314
  651    H    ALA  87           HN       ALA  87   1.721  -4.564   6.116
  652    HA   ALA  87           HA       ALA  87  -0.492  -4.069   7.858
  653    HB1  ALA  87           HB1      ALA  87   2.181  -2.678   7.712
  654    HB2  ALA  87           HB2      ALA  87   1.854  -4.148   8.637
  655    HB3  ALA  87           HB3      ALA  87   1.052  -2.638   9.068
  656    H    VAL  88           HN       VAL  88   0.790  -2.681   5.076
  657    HA   VAL  88           HA       VAL  88  -0.375  -0.060   5.497
  658    HB   VAL  88           HB       VAL  88   1.126  -1.293   3.208
  659   HG11  VAL  88          HG11      VAL  88   0.016   1.486   3.459
  660   HG12  VAL  88          HG12      VAL  88  -0.442   0.254   2.282
  661   HG13  VAL  88          HG13      VAL  88   1.169   0.972   2.227
  662   HG21  VAL  88          HG21      VAL  88   2.504  -0.805   5.132
  663   HG22  VAL  88          HG22      VAL  88   1.885   0.850   5.184
  664   HG23  VAL  88          HG23      VAL  88   2.874   0.320   3.824
  665    H    ALA  89           HN       ALA  89  -0.835  -2.862   3.401
  666    HA   ALA  89           HA       ALA  89  -2.978  -1.806   1.946
  667    HB1  ALA  89           HB1      ALA  89  -3.553  -4.129   1.407
  668    HB2  ALA  89           HB2      ALA  89  -2.384  -4.682   2.612
  669    HB3  ALA  89           HB3      ALA  89  -1.839  -3.782   1.195
  670    H    GLU  90           HN       GLU  90  -2.935  -3.567   5.084
  671    HA   GLU  90           HA       GLU  90  -5.802  -3.546   5.235
  672    HB2  GLU  90           HB2      GLU  90  -5.411  -4.134   7.643
  673    HB3  GLU  90           HB1      GLU  90  -4.671  -5.227   6.484
  674    HG2  GLU  90           HG2      GLU  90  -2.524  -4.236   6.838
  675    HG3  GLU  90           HG1      GLU  90  -3.216  -3.013   7.898
  676    H    HIS  91           HN       HIS  91  -3.232  -1.394   6.074
  677    HA   HIS  91           HA       HIS  91  -4.707   0.444   7.593
  678    HB2  HIS  91           HB2      HIS  91  -2.362   0.659   7.697
  679    HB3  HIS  91           HB1      HIS  91  -2.203   0.679   5.939
  680    HD1  HIS  91           HD1      HIS  91  -3.565   2.874   8.744
  681    HD2  HIS  91           HD2      HIS  91  -2.156   3.120   4.843
  682    HE1  HIS  91           HE1      HIS  91  -3.481   5.332   8.215
  683    HE2  HIS  91           HE2      HIS  91  -2.447   5.473   5.926
  684    H    LEU  92           HN       LEU  92  -4.551  -0.219   4.205
  685    HA   LEU  92           HA       LEU  92  -5.673   2.268   3.396
  686    HB2  LEU  92           HB2      LEU  92  -4.954  -0.288   2.080
  687    HB3  LEU  92           HB1      LEU  92  -6.202   0.680   1.303
  688    HG   LEU  92           HG       LEU  92  -4.746   2.470   0.901
  689   HD11  LEU  92          HD11      LEU  92  -3.001   1.248   3.014
  690   HD12  LEU  92          HD12      LEU  92  -3.695   2.871   2.957
  691   HD13  LEU  92          HD13      LEU  92  -2.384   2.431   1.864
  692   HD21  LEU  92          HD21      LEU  92  -3.107  -0.033   0.646
  693   HD22  LEU  92          HD22      LEU  92  -2.795   1.491  -0.188
  694   HD23  LEU  92          HD23      LEU  92  -4.267   0.581  -0.532
  695    H    LEU  93           HN       LEU  93  -6.920  -0.474   4.870
  696    HA   LEU  93           HA       LEU  93  -9.620  -0.309   3.875
  697    HB2  LEU  93           HB2      LEU  93  -8.448  -1.636   6.298
  698    HB3  LEU  93           HB1      LEU  93 -10.168  -1.632   5.965
  699    HG   LEU  93           HG       LEU  93  -9.957  -3.118   4.190
  700   HD11  LEU  93          HD11      LEU  93  -7.806  -3.710   3.136
  701   HD12  LEU  93          HD12      LEU  93  -7.011  -2.473   4.120
  702   HD13  LEU  93          HD13      LEU  93  -8.225  -2.007   2.925
  703   HD21  LEU  93          HD21      LEU  93  -9.434  -4.065   6.423
  704   HD22  LEU  93          HD22      LEU  93  -7.718  -3.899   6.039
  705   HD23  LEU  93          HD23      LEU  93  -8.743  -4.970   5.078
  706    H    GLU  94           HN       GLU  94  -7.723   0.952   6.434
  707    HA   GLU  94           HA       GLU  94  -9.622   2.039   8.153
  708    HB2  GLU  94           HB2      GLU  94  -6.845   2.844   7.342
  709    HB3  GLU  94           HB1      GLU  94  -7.732   3.733   8.584
  710    HG2  GLU  94           HG2      GLU  94  -6.971   0.820   8.651
  711    HG3  GLU  94           HG1      GLU  94  -6.213   2.121   9.568
  712    H    GLN  95           HN       GLN  95  -8.478   3.043   5.052
  713    HA   GLN  95           HA       GLN  95  -9.484   5.725   5.168
  714    HB2  GLN  95           HB2      GLN  95  -8.685   4.236   2.690
  715    HB3  GLN  95           HB1      GLN  95  -8.445   5.932   3.083
  716    HG2  GLN  95           HG2      GLN  95  -7.033   3.696   4.499
  717    HG3  GLN  95           HG1      GLN  95  -6.382   4.518   3.088
  718   HE21  GLN  95          HE21      GLN  95  -5.537   4.310   5.909
  719   HE22  GLN  95          HE22      GLN  95  -5.313   5.942   6.436
  720    H    ILE  96           HN       ILE  96 -10.646   2.623   4.320
  721    HA   ILE  96           HA       ILE  96 -12.333   3.375   2.156
  722    HB   ILE  96           HB       ILE  96 -12.132   0.818   3.729
  723   HG12  ILE  96          HG12      ILE  96 -10.041   1.679   2.756
  724   HG13  ILE  96          HG11      ILE  96 -10.539   0.150   2.068
  725   HG21  ILE  96          HG21      ILE  96 -14.175   1.013   2.311
  726   HG22  ILE  96          HG22      ILE  96 -13.091  -0.311   1.883
  727   HG23  ILE  96          HG23      ILE  96 -13.104   1.163   0.917
  728   HD11  ILE  96          HD11      ILE  96 -11.287   1.225   0.070
  729   HD12  ILE  96          HD12      ILE  96  -9.661   1.810   0.431
  730   HD13  ILE  96          HD13      ILE  96 -11.067   2.818   0.791
  731    HA   PRO  97           HA       PRO  97 -15.921   4.597   4.298
  732    HB2  PRO  97           HB2      PRO  97 -17.658   4.562   2.287
  733    HB3  PRO  97           HB1      PRO  97 -16.253   5.638   2.263
  734    HG2  PRO  97           HG2      PRO  97 -16.566   2.947   0.980
  735    HG3  PRO  97           HG1      PRO  97 -16.004   4.453   0.247
  736    HD2  PRO  97           HD2      PRO  97 -14.308   2.570   1.143
  737    HD3  PRO  97           HD1      PRO  97 -13.935   4.288   1.222
  738    H    GLY  98           HN       GLY  98 -16.165   2.717   5.733
  739    HA2  GLY  98           HA2      GLY  98 -17.822   1.497   6.803
  740    HA3  GLY  98           HA1      GLY  98 -18.833   1.690   5.384
  741    H    ILE  99           HN       ILE  99 -17.833   0.437   3.423
  742    HA   ILE  99           HA       ILE  99 -18.100  -2.285   3.702
  743    HB   ILE  99           HB       ILE  99 -16.705  -2.457   1.626
  744   HG12  ILE  99          HG12      ILE  99 -16.386   0.453   2.148
  745   HG13  ILE  99          HG11      ILE  99 -15.133  -0.752   2.059
  746   HG21  ILE  99          HG21      ILE  99 -18.253  -1.300   0.181
  747   HG22  ILE  99          HG22      ILE  99 -18.814  -0.322   1.538
  748   HG23  ILE  99          HG23      ILE  99 -19.119  -2.059   1.514
  749   HD11  ILE  99          HD11      ILE  99 -15.437  -0.988  -0.287
  750   HD12  ILE  99          HD12      ILE  99 -15.203   0.717   0.120
  751   HD13  ILE  99          HD13      ILE  99 -16.821   0.110  -0.262
  752    H    GLY 100           HN       GLY 100 -15.251  -0.320   4.105
  753    HA2  GLY 100           HA2      GLY 100 -13.639  -2.708   4.630
  754    HA3  GLY 100           HA1      GLY 100 -13.041  -1.212   3.902
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -16.001  14.128  -5.683
    2    H2   GLY   1           HT2      GLY   1 -15.615  15.533  -4.824
    3    H3   GLY   1           HT3      GLY   1 -17.010  14.664  -4.438
    4    HA2  GLY   1           HA1      GLY   1 -15.227  14.290  -2.827
    5    HA3  GLY   1           HA2      GLY   1 -15.746  12.820  -3.641
    6    H    SER   2           HN       SER   2 -13.207  13.319  -2.353
    7    HA   SER   2           HA       SER   2 -11.269  13.684  -4.458
    8    HB2  SER   2           HB2      SER   2 -10.910  12.830  -1.576
    9    HB3  SER   2           HB1      SER   2  -9.608  13.257  -2.687
   10    HG   SER   2           HG       SER   2 -10.415  15.349  -2.784
   11    H    THR   3           HN       THR   3 -11.930  11.992  -5.852
   12    HA   THR   3           HA       THR   3 -11.771   9.938  -6.796
   13    HB   THR   3           HB       THR   3  -9.445   9.500  -4.919
   14    HG1  THR   3           HG1      THR   3  -9.773  11.555  -6.505
   15   HG21  THR   3          HG21      THR   3 -10.008   7.574  -6.296
   16   HG22  THR   3          HG22      THR   3  -8.499   8.294  -6.860
   17   HG23  THR   3          HG23      THR   3  -9.997   8.580  -7.745
   18    H    ALA   4           HN       ALA   4 -10.299   8.133  -4.381
   19    HA   ALA   4           HA       ALA   4 -10.903   6.464  -3.017
   20    HB1  ALA   4           HB1      ALA   4 -12.126   8.191  -1.774
   21    HB2  ALA   4           HB2      ALA   4 -12.933   6.624  -1.700
   22    HB3  ALA   4           HB3      ALA   4 -13.551   7.886  -2.767
   23    H    THR   5           HN       THR   5 -13.899   7.157  -4.855
   24    HA   THR   5           HA       THR   5 -14.934   4.653  -5.103
   25    HB   THR   5           HB       THR   5 -14.880   6.611  -7.394
   26    HG1  THR   5           HG1      THR   5 -16.398   7.770  -6.328
   27   HG21  THR   5          HG21      THR   5 -16.957   4.615  -6.483
   28   HG22  THR   5          HG22      THR   5 -15.916   4.451  -7.897
   29   HG23  THR   5          HG23      THR   5 -17.128   5.731  -7.837
   30    H    LEU   6           HN       LEU   6 -12.238   5.932  -6.845
   31    HA   LEU   6           HA       LEU   6 -11.827   4.118  -8.853
   32    HB2  LEU   6           HB2      LEU   6 -10.368   5.960  -8.678
   33    HB3  LEU   6           HB1      LEU   6  -9.969   5.580  -7.015
   34    HG   LEU   6           HG       LEU   6  -8.651   3.657  -7.744
   35   HD11  LEU   6          HD11      LEU   6  -9.910   3.091  -9.765
   36   HD12  LEU   6          HD12      LEU   6  -8.192   3.286 -10.112
   37   HD13  LEU   6          HD13      LEU   6  -9.330   4.564 -10.543
   38   HD21  LEU   6          HD21      LEU   6  -7.933   6.179  -9.233
   39   HD22  LEU   6          HD22      LEU   6  -6.827   4.895  -8.743
   40   HD23  LEU   6          HD23      LEU   6  -7.630   5.884  -7.522
   41    H    LEU   7           HN       LEU   7 -10.422   3.873  -5.591
   42    HA   LEU   7           HA       LEU   7  -9.884   1.055  -6.023
   43    HB2  LEU   7           HB2      LEU   7  -8.704   3.103  -4.526
   44    HB3  LEU   7           HB1      LEU   7  -9.390   1.996  -3.348
   45    HG   LEU   7           HG       LEU   7  -7.010   1.507  -3.925
   46   HD11  LEU   7          HD11      LEU   7  -8.578  -0.138  -2.984
   47   HD12  LEU   7          HD12      LEU   7  -7.357  -0.882  -4.021
   48   HD13  LEU   7          HD13      LEU   7  -9.005  -0.645  -4.619
   49   HD21  LEU   7          HD21      LEU   7  -6.440   0.563  -6.028
   50   HD22  LEU   7          HD22      LEU   7  -7.315   2.058  -6.377
   51   HD23  LEU   7          HD23      LEU   7  -8.126   0.500  -6.533
   52    H    THR   8           HN       THR   8 -12.024   3.100  -4.249
   53    HA   THR   8           HA       THR   8 -12.935   1.330  -2.294
   54    HB   THR   8           HB       THR   8 -14.199   3.679  -3.642
   55    HG1  THR   8           HG1      THR   8 -12.359   3.859  -2.151
   56   HG21  THR   8          HG21      THR   8 -15.295   2.177  -1.267
   57   HG22  THR   8          HG22      THR   8 -16.028   2.236  -2.868
   58   HG23  THR   8          HG23      THR   8 -15.916   3.702  -1.893
   59    H    SER   9           HN       SER   9 -13.864   1.667  -5.664
   60    HA   SER   9           HA       SER   9 -16.134  -0.039  -5.551
   61    HB2  SER   9           HB2      SER   9 -14.349   0.931  -7.773
   62    HB3  SER   9           HB1      SER   9 -15.658  -0.220  -8.082
   63    HG   SER   9           HG       SER   9 -16.854   1.559  -6.735
   64    H    LYS  10           HN       LYS  10 -12.709  -0.562  -5.784
   65    HA   LYS  10           HA       LYS  10 -12.686  -3.287  -6.526
   66    HB2  LYS  10           HB2      LYS  10 -10.747  -1.516  -6.278
   67    HB3  LYS  10           HB1      LYS  10 -10.722  -2.047  -4.606
   68    HG2  LYS  10           HG2      LYS  10  -9.935  -3.552  -7.068
   69    HG3  LYS  10           HG1      LYS  10  -9.039  -3.264  -5.586
   70    HD2  LYS  10           HD2      LYS  10  -9.608  -5.328  -5.078
   71    HD3  LYS  10           HD1      LYS  10 -11.188  -4.644  -4.701
   72    HE2  LYS  10           HE2      LYS  10 -11.375  -6.620  -6.142
   73    HE3  LYS  10           HE1      LYS  10 -11.978  -5.166  -6.932
   74    HZ1  LYS  10           HZ1      LYS  10 -10.631  -6.503  -8.426
   75    HZ2  LYS  10           HZ2      LYS  10  -9.308  -6.393  -7.382
   76    HZ3  LYS  10           HZ3      LYS  10  -9.897  -5.009  -8.150
   77    H    LEU  11           HN       LEU  11 -12.315  -1.738  -3.356
   78    HA   LEU  11           HA       LEU  11 -12.381  -4.083  -1.835
   79    HB2  LEU  11           HB2      LEU  11 -13.197  -1.325  -0.950
   80    HB3  LEU  11           HB1      LEU  11 -12.839  -2.665   0.109
   81    HG   LEU  11           HG       LEU  11 -10.853  -1.566   0.225
   82   HD11  LEU  11          HD11      LEU  11 -10.461  -3.122  -2.322
   83   HD12  LEU  11          HD12      LEU  11 -10.475  -3.820  -0.698
   84   HD13  LEU  11          HD13      LEU  11  -9.213  -2.668  -1.153
   85   HD21  LEU  11          HD21      LEU  11 -11.672   0.181  -1.423
   86   HD22  LEU  11          HD22      LEU  11 -10.926  -0.807  -2.683
   87   HD23  LEU  11          HD23      LEU  11  -9.935  -0.125  -1.391
   88    H    ALA  12           HN       ALA  12 -14.971  -2.154  -3.090
   89    HA   ALA  12           HA       ALA  12 -17.097  -3.051  -1.527
   90    HB1  ALA  12           HB1      ALA  12 -18.519  -2.454  -3.414
   91    HB2  ALA  12           HB2      ALA  12 -17.112  -2.419  -4.479
   92    HB3  ALA  12           HB3      ALA  12 -17.264  -1.237  -3.177
   93    H    GLY  13           HN       GLY  13 -15.285  -4.631  -4.029
   94    HA2  GLY  13           HA2      GLY  13 -17.196  -6.789  -4.339
   95    HA3  GLY  13           HA1      GLY  13 -15.637  -6.636  -5.140
   96    H    LEU  14           HN       LEU  14 -14.738  -6.064  -2.132
   97    HA   LEU  14           HA       LEU  14 -14.129  -8.885  -1.635
   98    HB2  LEU  14           HB2      LEU  14 -12.740  -6.374  -0.830
   99    HB3  LEU  14           HB1      LEU  14 -12.315  -7.920  -0.193
  100    HG   LEU  14           HG       LEU  14 -10.782  -7.874  -1.807
  101   HD11  LEU  14          HD11      LEU  14 -12.289  -9.683  -2.453
  102   HD12  LEU  14          HD12      LEU  14 -11.471  -8.970  -3.847
  103   HD13  LEU  14          HD13      LEU  14 -13.159  -8.570  -3.513
  104   HD21  LEU  14          HD21      LEU  14 -12.612  -6.039  -3.309
  105   HD22  LEU  14          HD22      LEU  14 -10.998  -6.513  -3.835
  106   HD23  LEU  14          HD23      LEU  14 -11.206  -5.595  -2.342
  107    H    THR  15           HN       THR  15 -13.647  -9.394   0.585
  108    HA   THR  15           HA       THR  15 -15.328  -8.032   2.558
  109    HB   THR  15           HB       THR  15 -14.922  -9.976   3.954
  110    HG1  THR  15           HG1      THR  15 -13.560 -11.699   2.728
  111   HG21  THR  15          HG21      THR  15 -15.397 -10.807   1.087
  112   HG22  THR  15          HG22      THR  15 -16.630 -10.269   2.233
  113   HG23  THR  15          HG23      THR  15 -15.776 -11.790   2.506
  114    H    ALA  16           HN       ALA  16 -14.055  -7.703   4.730
  115    HA   ALA  16           HA       ALA  16 -12.058  -5.855   4.332
  116    HB1  ALA  16           HB1      ALA  16 -13.235  -6.146   6.461
  117    HB2  ALA  16           HB2      ALA  16 -11.486  -6.123   6.694
  118    HB3  ALA  16           HB3      ALA  16 -12.364  -7.653   6.741
  119    H    THR  17           HN       THR  17 -11.661  -9.338   4.832
  120    HA   THR  17           HA       THR  17  -8.852  -9.348   4.990
  121    HB   THR  17           HB       THR  17 -10.688 -11.570   4.083
  122    HG1  THR  17           HG1      THR  17 -11.281 -11.029   6.147
  123   HG21  THR  17          HG21      THR  17  -8.865 -13.045   4.798
  124   HG22  THR  17          HG22      THR  17  -7.873 -11.634   5.164
  125   HG23  THR  17          HG23      THR  17  -8.355 -11.965   3.500
  126    H    GLU  18           HN       GLU  18 -11.046  -9.833   2.210
  127    HA   GLU  18           HA       GLU  18  -8.929 -10.302   0.398
  128    HB2  GLU  18           HB2      GLU  18 -11.805  -9.563  -0.031
  129    HB3  GLU  18           HB1      GLU  18 -10.698 -10.052  -1.293
  130    HG2  GLU  18           HG2      GLU  18 -10.441 -12.219  -0.169
  131    HG3  GLU  18           HG1      GLU  18 -11.627 -11.700   1.026
  132    H    GLN  19           HN       GLN  19 -10.651  -7.504   1.543
  133    HA   GLN  19           HA       GLN  19  -9.697  -5.622  -0.314
  134    HB2  GLN  19           HB2      GLN  19 -10.350  -5.295   2.617
  135    HB3  GLN  19           HB1      GLN  19 -10.176  -3.981   1.472
  136    HG2  GLN  19           HG2      GLN  19 -12.047  -4.764   0.220
  137    HG3  GLN  19           HG1      GLN  19 -12.186  -6.179   1.234
  138   HE21  GLN  19          HE21      GLN  19 -14.207  -4.321   0.689
  139   HE22  GLN  19          HE22      GLN  19 -14.654  -3.576   2.187
  140    H    ARG  20           HN       ARG  20  -8.370  -6.881   2.710
  141    HA   ARG  20           HA       ARG  20  -5.945  -5.462   2.756
  142    HB2  ARG  20           HB2      ARG  20  -6.001  -8.402   3.389
  143    HB3  ARG  20           HB1      ARG  20  -5.094  -7.124   4.183
  144    HG2  ARG  20           HG2      ARG  20  -7.147  -6.277   5.155
  145    HG3  ARG  20           HG1      ARG  20  -8.067  -7.555   4.352
  146    HD2  ARG  20           HD2      ARG  20  -7.688  -8.198   6.628
  147    HD3  ARG  20           HD1      ARG  20  -6.695  -9.210   5.589
  148    HE   ARG  20           HE       ARG  20  -5.112  -7.079   6.405
  149   HH11  ARG  20          HH11      ARG  20  -6.781  -9.787   7.844
  150   HH12  ARG  20          HH12      ARG  20  -5.681  -9.930   9.175
  151   HH21  ARG  20          HH21      ARG  20  -3.649  -7.250   8.192
  152   HH22  ARG  20          HH22      ARG  20  -3.910  -8.505   9.368
  153    H    ALA  21           HN       ALA  21  -6.894  -8.425   1.151
  154    HA   ALA  21           HA       ALA  21  -4.385  -9.187   0.170
  155    HB1  ALA  21           HB1      ALA  21  -5.604 -10.721  -1.269
  156    HB2  ALA  21           HB2      ALA  21  -7.103  -9.849  -0.942
  157    HB3  ALA  21           HB3      ALA  21  -6.281 -10.711   0.359
  158    H    VAL  22           HN       VAL  22  -6.928  -7.283  -1.375
  159    HA   VAL  22           HA       VAL  22  -5.734  -7.384  -3.942
  160    HB   VAL  22           HB       VAL  22  -7.313  -5.509  -4.517
  161   HG11  VAL  22          HG11      VAL  22  -7.795  -8.018  -4.588
  162   HG12  VAL  22          HG12      VAL  22  -9.175  -6.925  -4.616
  163   HG13  VAL  22          HG13      VAL  22  -8.736  -7.754  -3.115
  164   HG21  VAL  22          HG21      VAL  22  -9.041  -4.932  -2.876
  165   HG22  VAL  22          HG22      VAL  22  -7.439  -4.455  -2.315
  166   HG23  VAL  22          HG23      VAL  22  -8.209  -5.902  -1.655
  167    H    THR  23           HN       THR  23  -5.624  -4.812  -1.430
  168    HA   THR  23           HA       THR  23  -3.667  -3.532  -3.155
  169    HB   THR  23           HB       THR  23  -5.126  -1.984  -2.284
  170    HG1  THR  23           HG1      THR  23  -2.666  -1.792  -0.913
  171   HG21  THR  23          HG21      THR  23  -4.344  -2.754   0.497
  172   HG22  THR  23          HG22      THR  23  -5.855  -3.234  -0.270
  173   HG23  THR  23          HG23      THR  23  -5.521  -1.526   0.041
  174    H    ARG  24           HN       ARG  24  -3.613  -5.784  -0.616
  175    HA   ARG  24           HA       ARG  24  -0.924  -5.337   0.185
  176    HB2  ARG  24           HB2      ARG  24  -2.230  -7.056   1.299
  177    HB3  ARG  24           HB1      ARG  24  -2.480  -7.905  -0.216
  178    HG2  ARG  24           HG2      ARG  24   0.163  -7.979  -0.186
  179    HG3  ARG  24           HG1      ARG  24  -0.103  -7.824   1.552
  180    HD2  ARG  24           HD2      ARG  24  -1.566  -9.780   1.498
  181    HD3  ARG  24           HD1      ARG  24  -1.316  -9.917  -0.242
  182    HE   ARG  24           HE       ARG  24   1.197  -9.983   0.892
  183   HH11  ARG  24          HH11      ARG  24  -1.717 -11.899   1.123
  184   HH12  ARG  24          HH12      ARG  24  -0.872 -13.381   1.433
  185   HH21  ARG  24          HH21      ARG  24   2.319 -11.922   1.282
  186   HH22  ARG  24          HH22      ARG  24   1.431 -13.401   1.501
  187    H    LYS  25           HN       LYS  25  -2.474  -6.146  -2.682
  188    HA   LYS  25           HA       LYS  25  -0.061  -6.969  -4.035
  189    HB2  LYS  25           HB2      LYS  25  -1.782  -8.284  -4.791
  190    HB3  LYS  25           HB1      LYS  25  -2.992  -7.052  -4.513
  191    HG2  LYS  25           HG2      LYS  25  -2.796  -7.542  -6.863
  192    HG3  LYS  25           HG1      LYS  25  -2.297  -5.890  -6.512
  193    HD2  LYS  25           HD2      LYS  25   0.085  -6.747  -6.489
  194    HD3  LYS  25           HD1      LYS  25  -0.544  -8.272  -7.115
  195    HE2  LYS  25           HE2      LYS  25  -0.788  -5.571  -8.436
  196    HE3  LYS  25           HE1      LYS  25   0.314  -6.861  -8.913
  197    HZ1  LYS  25           HZ1      LYS  25  -2.650  -6.934  -9.018
  198    HZ2  LYS  25           HZ2      LYS  25  -1.652  -8.258  -9.345
  199    HZ3  LYS  25           HZ3      LYS  25  -1.588  -6.889 -10.333
  200    H    LEU  26           HN       LEU  26  -2.407  -4.265  -3.832
  201    HA   LEU  26           HA       LEU  26  -1.260  -2.790  -5.952
  202    HB2  LEU  26           HB2      LEU  26  -3.533  -2.414  -5.330
  203    HB3  LEU  26           HB1      LEU  26  -3.071  -1.997  -3.696
  204    HG   LEU  26           HG       LEU  26  -3.773  -0.119  -5.279
  205   HD11  LEU  26          HD11      LEU  26  -2.471   1.417  -4.088
  206   HD12  LEU  26          HD12      LEU  26  -1.163   0.250  -3.884
  207   HD13  LEU  26          HD13      LEU  26  -2.690   0.016  -3.029
  208   HD21  LEU  26          HD21      LEU  26  -2.406  -0.770  -7.183
  209   HD22  LEU  26          HD22      LEU  26  -0.953  -0.471  -6.229
  210   HD23  LEU  26          HD23      LEU  26  -2.037   0.866  -6.632
  211    H    VAL  27           HN       VAL  27  -0.947  -2.312  -2.383
  212    HA   VAL  27           HA       VAL  27   0.870  -0.198  -2.553
  213    HB   VAL  27           HB       VAL  27  -0.065  -0.696  -0.385
  214   HG11  VAL  27          HG11      VAL  27   0.728  -2.712   0.879
  215   HG12  VAL  27          HG12      VAL  27   1.344  -3.332  -0.656
  216   HG13  VAL  27          HG13      VAL  27  -0.380  -3.037  -0.454
  217   HG21  VAL  27          HG21      VAL  27   1.937  -0.694   1.013
  218   HG22  VAL  27          HG22      VAL  27   2.159   0.344  -0.397
  219   HG23  VAL  27          HG23      VAL  27   2.903  -1.259  -0.353
  220    H    LEU  28           HN       LEU  28   1.264  -3.598  -2.657
  221    HA   LEU  28           HA       LEU  28   4.030  -3.875  -2.705
  222    HB2  LEU  28           HB2      LEU  28   1.936  -5.532  -2.696
  223    HB3  LEU  28           HB1      LEU  28   2.301  -5.585  -4.404
  224    HG   LEU  28           HG       LEU  28   4.461  -6.522  -3.993
  225   HD11  LEU  28          HD11      LEU  28   3.832  -5.989  -1.104
  226   HD12  LEU  28          HD12      LEU  28   5.127  -5.281  -2.073
  227   HD13  LEU  28          HD13      LEU  28   5.173  -6.995  -1.661
  228   HD21  LEU  28          HD21      LEU  28   3.793  -8.569  -2.707
  229   HD22  LEU  28          HD22      LEU  28   2.691  -8.129  -4.013
  230   HD23  LEU  28          HD23      LEU  28   2.264  -7.759  -2.339
  231    H    ASP  29           HN       ASP  29   1.691  -3.460  -5.278
  232    HA   ASP  29           HA       ASP  29   3.500  -3.677  -7.446
  233    HB2  ASP  29           HB2      ASP  29   0.972  -3.930  -7.519
  234    HB3  ASP  29           HB1      ASP  29   0.884  -2.179  -7.435
  235    H    GLN  30           HN       GLN  30   2.086  -0.969  -5.694
  236    HA   GLN  30           HA       GLN  30   3.267   1.118  -7.106
  237    HB2  GLN  30           HB2      GLN  30   2.652   0.969  -4.175
  238    HB3  GLN  30           HB1      GLN  30   2.818   2.432  -5.130
  239    HG2  GLN  30           HG2      GLN  30   0.646   0.359  -5.363
  240    HG3  GLN  30           HG1      GLN  30   0.508   2.007  -4.761
  241   HE21  GLN  30          HE21      GLN  30   0.880   0.008  -7.560
  242   HE22  GLN  30          HE22      GLN  30   0.493   1.221  -8.734
  243    H    ALA  31           HN       ALA  31   4.328  -0.626  -4.244
  244    HA   ALA  31           HA       ALA  31   6.717   0.791  -3.766
  245    HB1  ALA  31           HB1      ALA  31   5.625  -0.733  -2.157
  246    HB2  ALA  31           HB2      ALA  31   7.331  -1.120  -2.398
  247    HB3  ALA  31           HB3      ALA  31   6.082  -2.102  -3.177
  248    H    ALA  32           HN       ALA  32   5.826  -1.759  -5.872
  249    HA   ALA  32           HA       ALA  32   8.419  -2.604  -6.642
  250    HB1  ALA  32           HB1      ALA  32   6.782  -4.169  -7.074
  251    HB2  ALA  32           HB2      ALA  32   6.929  -3.424  -8.668
  252    HB3  ALA  32           HB3      ALA  32   5.598  -2.958  -7.593
  253    H    SER  33           HN       SER  33   5.991  -0.404  -7.934
  254    HA   SER  33           HA       SER  33   7.323   0.365 -10.272
  255    HB2  SER  33           HB2      SER  33   4.960   0.819  -9.837
  256    HB3  SER  33           HB1      SER  33   5.393   1.872  -8.492
  257    HG   SER  33           HG       SER  33   5.117   2.498 -11.053
  258    H    VAL  34           HN       VAL  34   7.464   1.528  -6.964
  259    HA   VAL  34           HA       VAL  34   9.105   3.766  -7.335
  260    HB   VAL  34           HB       VAL  34   9.153   1.947  -4.940
  261   HG11  VAL  34          HG11      VAL  34   9.646   4.894  -5.307
  262   HG12  VAL  34          HG12      VAL  34  10.822   3.660  -4.851
  263   HG13  VAL  34          HG13      VAL  34   9.524   4.099  -3.738
  264   HG21  VAL  34          HG21      VAL  34   7.320   3.237  -4.041
  265   HG22  VAL  34          HG22      VAL  34   6.871   2.383  -5.510
  266   HG23  VAL  34          HG23      VAL  34   7.185   4.120  -5.560
  267    H    LEU  35           HN       LEU  35   9.832   0.568  -6.108
  268    HA   LEU  35           HA       LEU  35  12.542   0.974  -5.780
  269    HB2  LEU  35           HB2      LEU  35  10.588  -1.135  -5.609
  270    HB3  LEU  35           HB1      LEU  35  12.192  -1.736  -5.997
  271    HG   LEU  35           HG       LEU  35  12.992  -1.274  -3.905
  272   HD11  LEU  35          HD11      LEU  35  12.770   1.134  -3.951
  273   HD12  LEU  35          HD12      LEU  35  12.113   0.527  -2.432
  274   HD13  LEU  35          HD13      LEU  35  11.022   1.011  -3.736
  275   HD21  LEU  35          HD21      LEU  35  11.019  -1.450  -2.271
  276   HD22  LEU  35          HD22      LEU  35  11.299  -2.761  -3.412
  277   HD23  LEU  35          HD23      LEU  35  10.032  -1.572  -3.731
  278    H    GLY  36           HN       GLY  36  10.799  -0.220  -8.596
  279    HA2  GLY  36           HA2      GLY  36  12.193   0.227 -10.679
  280    HA3  GLY  36           HA1      GLY  36  13.410  -0.727  -9.845
  281    H    TYR  37           HN       TYR  37  10.211  -1.703  -9.380
  282    HA   TYR  37           HA       TYR  37  10.885  -4.191 -10.772
  283    HB2  TYR  37           HB2      TYR  37   8.765  -3.710  -8.682
  284    HB3  TYR  37           HB1      TYR  37   9.382  -5.259  -9.225
  285    HD1  TYR  37           HD1      TYR  37   9.240  -4.333  -6.341
  286    HD2  TYR  37           HD2      TYR  37  12.306  -4.098  -9.262
  287    HE1  TYR  37           HE1      TYR  37  10.910  -4.295  -4.555
  288    HE2  TYR  37           HE2      TYR  37  13.993  -4.033  -7.503
  289    HH   TYR  37           HH       TYR  37  14.146  -3.422  -5.077
  290    H    ALA  38           HN       ALA  38   8.966  -5.426 -11.609
  291    HA   ALA  38           HA       ALA  38   6.980  -3.609 -12.801
  292    HB1  ALA  38           HB1      ALA  38   8.438  -5.787 -14.289
  293    HB2  ALA  38           HB2      ALA  38   8.784  -4.062 -14.420
  294    HB3  ALA  38           HB3      ALA  38   7.223  -4.691 -14.950
  295    H    SER  39           HN       SER  39   7.576  -6.405 -11.058
  296    HA   SER  39           HA       SER  39   4.839  -7.307 -11.428
  297    HB2  SER  39           HB2      SER  39   6.135  -8.547 -13.132
  298    HB3  SER  39           HB1      SER  39   7.212  -9.141 -11.873
  299    HG   SER  39           HG       SER  39   5.309 -10.115 -10.912
  300    H    THR  40           HN       THR  40   6.444  -6.042  -9.346
  301    HA   THR  40           HA       THR  40   7.120  -6.191  -7.181
  302    HB   THR  40           HB       THR  40   5.564  -7.367  -5.653
  303    HG1  THR  40           HG1      THR  40   4.953  -8.744  -7.898
  304   HG21  THR  40          HG21      THR  40   4.337  -5.697  -7.839
  305   HG22  THR  40          HG22      THR  40   5.022  -5.126  -6.310
  306   HG23  THR  40          HG23      THR  40   3.534  -6.078  -6.315
  307    H    GLU  41           HN       GLU  41   8.623  -7.751  -8.817
  308    HA   GLU  41           HA       GLU  41   8.802 -10.455  -8.286
  309    HB2  GLU  41           HB2      GLU  41  11.269 -10.104  -9.013
  310    HB3  GLU  41           HB1      GLU  41   9.970  -9.779 -10.147
  311    HG2  GLU  41           HG2      GLU  41  10.936  -7.508  -8.523
  312    HG3  GLU  41           HG1      GLU  41  11.996  -8.116  -9.794
  313    H    SER  42           HN       SER  42  11.094  -8.044  -6.945
  314    HA   SER  42           HA       SER  42  11.784 -10.025  -4.927
  315    HB2  SER  42           HB2      SER  42  13.701  -8.337  -4.531
  316    HB3  SER  42           HB1      SER  42  13.710  -9.273  -6.026
  317    HG   SER  42           HG       SER  42  14.080  -6.970  -6.281
  318    H    LEU  43           HN       LEU  43   9.321  -8.633  -4.621
  319    HA   LEU  43           HA       LEU  43   9.877  -6.972  -2.282
  320    HB2  LEU  43           HB2      LEU  43   7.414  -7.424  -3.928
  321    HB3  LEU  43           HB1      LEU  43   7.389  -6.557  -2.405
  322    HG   LEU  43           HG       LEU  43   9.071  -5.744  -4.766
  323   HD11  LEU  43          HD11      LEU  43   6.415  -4.727  -3.812
  324   HD12  LEU  43          HD12      LEU  43   6.727  -5.608  -5.307
  325   HD13  LEU  43          HD13      LEU  43   7.403  -3.993  -5.076
  326   HD21  LEU  43          HD21      LEU  43   9.210  -3.628  -3.519
  327   HD22  LEU  43          HD22      LEU  43   9.932  -4.978  -2.644
  328   HD23  LEU  43          HD23      LEU  43   8.336  -4.381  -2.186
  329    H    ASP  44           HN       ASP  44   8.491  -7.238  -0.423
  330    HA   ASP  44           HA       ASP  44   7.382  -9.920  -0.050
  331    HB2  ASP  44           HB2      ASP  44   9.803  -9.405   1.033
  332    HB3  ASP  44           HB1      ASP  44   8.774  -8.707   2.277
  333    H    THR  45           HN       THR  45   5.675  -9.969   1.448
  334    HA   THR  45           HA       THR  45   4.627  -7.307   2.107
  335    HB   THR  45           HB       THR  45   2.457  -8.648   2.477
  336    HG1  THR  45           HG1      THR  45   3.831 -10.464   0.753
  337   HG21  THR  45          HG21      THR  45   1.986  -8.620   0.016
  338   HG22  THR  45          HG22      THR  45   3.679  -8.194  -0.231
  339   HG23  THR  45          HG23      THR  45   2.619  -7.118   0.679
  340    H    HIS  46           HN       HIS  46   6.261  -9.820   3.442
  341    HA   HIS  46           HA       HIS  46   5.018  -9.436   6.084
  342    HB2  HIS  46           HB2      HIS  46   6.773 -11.686   5.073
  343    HB3  HIS  46           HB1      HIS  46   6.168 -11.548   6.713
  344    HD1  HIS  46           HD1      HIS  46   4.257 -13.043   7.092
  345    HD2  HIS  46           HD2      HIS  46   4.343 -11.608   3.202
  346    HE1  HIS  46           HE1      HIS  46   2.290 -14.095   5.946
  347    HE2  HIS  46           HE2      HIS  46   2.534 -13.426   3.535
  348    H    GLU  47           HN       GLU  47   7.316  -8.151   4.293
  349    HA   GLU  47           HA       GLU  47   9.157  -7.759   6.544
  350    HB2  GLU  47           HB2      GLU  47  10.933  -8.375   5.327
  351    HB3  GLU  47           HB1      GLU  47   9.787  -9.093   4.215
  352    HG2  GLU  47           HG2      GLU  47   9.805  -6.996   2.891
  353    HG3  GLU  47           HG1      GLU  47  11.032  -6.358   3.995
  354    H    SER  48           HN       SER  48  10.220  -5.635   6.515
  355    HA   SER  48           HA       SER  48   8.161  -3.716   5.901
  356    HB2  SER  48           HB2      SER  48   9.029  -3.352   7.998
  357    HB3  SER  48           HB1      SER  48  10.691  -3.565   7.503
  358    HG   SER  48           HG       SER  48   9.846  -1.352   7.956
  359    H    PHE  49           HN       PHE  49   8.502  -1.780   5.039
  360    HA   PHE  49           HA       PHE  49   9.675  -1.769   2.469
  361    HB2  PHE  49           HB2      PHE  49   8.694   0.503   4.184
  362    HB3  PHE  49           HB1      PHE  49   9.135   0.665   2.487
  363    HD1  PHE  49           HD1      PHE  49   7.721  -0.157   0.765
  364    HD2  PHE  49           HD2      PHE  49   6.696  -0.706   4.850
  365    HE1  PHE  49           HE1      PHE  49   5.459  -0.822   0.105
  366    HE2  PHE  49           HE2      PHE  49   4.422  -1.371   4.194
  367    HZ   PHE  49           HZ       PHE  49   3.757  -1.311   1.887
  368    H    LYS  50           HN       LYS  50  10.704  -0.707   5.586
  369    HA   LYS  50           HA       LYS  50  13.044   0.602   5.178
  370    HB2  LYS  50           HB2      LYS  50  12.087  -0.115   7.351
  371    HB3  LYS  50           HB1      LYS  50  12.593  -1.754   7.003
  372    HG2  LYS  50           HG2      LYS  50  14.101  -0.671   8.551
  373    HG3  LYS  50           HG1      LYS  50  14.914  -1.097   7.049
  374    HD2  LYS  50           HD2      LYS  50  15.650   1.083   7.702
  375    HD3  LYS  50           HD1      LYS  50  14.600   1.262   6.298
  376    HE2  LYS  50           HE2      LYS  50  12.757   1.924   7.730
  377    HE3  LYS  50           HE1      LYS  50  13.751   1.663   9.163
  378    HZ1  LYS  50           HZ1      LYS  50  15.235   3.419   8.401
  379    HZ2  LYS  50           HZ2      LYS  50  13.658   3.999   8.586
  380    HZ3  LYS  50           HZ3      LYS  50  14.263   3.677   7.040
  381    H    ASP  51           HN       ASP  51  12.625  -2.889   5.237
  382    HA   ASP  51           HA       ASP  51  15.219  -3.506   4.290
  383    HB2  ASP  51           HB2      ASP  51  13.649  -5.073   5.489
  384    HB3  ASP  51           HB1      ASP  51  12.785  -5.241   3.966
  385    H    LEU  52           HN       LEU  52  12.211  -2.828   2.667
  386    HA   LEU  52           HA       LEU  52  12.923  -3.765   0.087
  387    HB2  LEU  52           HB2      LEU  52  10.817  -1.940   1.153
  388    HB3  LEU  52           HB1      LEU  52  11.051  -2.059  -0.561
  389    HG   LEU  52           HG       LEU  52  10.490  -4.426  -0.528
  390   HD11  LEU  52          HD11      LEU  52  10.198  -4.027   2.426
  391   HD12  LEU  52          HD12      LEU  52  11.381  -5.051   1.610
  392   HD13  LEU  52          HD13      LEU  52   9.663  -5.454   1.542
  393   HD21  LEU  52          HD21      LEU  52   8.544  -2.674   0.945
  394   HD22  LEU  52          HD22      LEU  52   8.158  -4.283   0.334
  395   HD23  LEU  52          HD23      LEU  52   8.609  -2.992  -0.790
  396    H    GLY  53           HN       GLY  53  13.730  -1.021   1.904
  397    HA2  GLY  53           HA2      GLY  53  15.673   0.178   1.293
  398    HA3  GLY  53           HA1      GLY  53  15.259  -0.041  -0.394
  399    H    PHE  54           HN       PHE  54  12.605   0.839   1.584
  400    HA   PHE  54           HA       PHE  54  12.476   3.393   0.319
  401    HB2  PHE  54           HB2      PHE  54  10.734   2.057   2.394
  402    HB3  PHE  54           HB1      PHE  54  10.414   3.657   1.732
  403    HD1  PHE  54           HD1      PHE  54   9.653   3.953  -0.533
  404    HD2  PHE  54           HD2      PHE  54  10.573   0.101   1.014
  405    HE1  PHE  54           HE1      PHE  54   8.482   2.925  -2.419
  406    HE2  PHE  54           HE2      PHE  54   9.420  -0.945  -0.864
  407    HZ   PHE  54           HZ       PHE  54   8.488   0.539  -2.724
  408    H    ASP  55           HN       ASP  55  12.103   5.401   1.490
  409    HA   ASP  55           HA       ASP  55  13.108   5.817   4.107
  410    HB2  ASP  55           HB2      ASP  55  15.217   5.352   2.613
  411    HB3  ASP  55           HB1      ASP  55  14.919   6.983   2.013
  412    H    SER  56           HN       SER  56  14.075   8.498   3.621
  413    HA   SER  56           HA       SER  56  11.553   9.838   3.329
  414    HB2  SER  56           HB2      SER  56  13.029  11.901   3.667
  415    HB3  SER  56           HB1      SER  56  13.025  10.716   4.973
  416    HG   SER  56           HG       SER  56  15.002   9.929   4.236
  417    H    LEU  57           HN       LEU  57  12.310   8.493   0.996
  418    HA   LEU  57           HA       LEU  57  12.336  10.631  -0.970
  419    HB2  LEU  57           HB2      LEU  57  14.015   8.154  -1.155
  420    HB3  LEU  57           HB1      LEU  57  13.987   9.471  -2.308
  421    HG   LEU  57           HG       LEU  57  14.928   9.755   0.538
  422   HD11  LEU  57          HD11      LEU  57  16.322   8.137  -0.639
  423   HD12  LEU  57          HD12      LEU  57  17.197   9.638  -0.348
  424   HD13  LEU  57          HD13      LEU  57  16.561   9.288  -1.954
  425   HD21  LEU  57          HD21      LEU  57  14.230  11.825  -0.533
  426   HD22  LEU  57          HD22      LEU  57  15.290  11.491  -1.902
  427   HD23  LEU  57          HD23      LEU  57  15.978  11.796  -0.308
  428    H    THR  58           HN       THR  58  12.618   7.121  -0.966
  429    HA   THR  58           HA       THR  58  10.832   6.777  -3.131
  430    HB   THR  58           HB       THR  58  11.045   4.308  -2.358
  431    HG1  THR  58           HG1      THR  58  13.360   4.780  -1.073
  432   HG21  THR  58          HG21      THR  58  13.517   5.868  -3.109
  433   HG22  THR  58          HG22      THR  58  12.283   5.304  -4.237
  434   HG23  THR  58          HG23      THR  58  13.261   4.139  -3.344
  435    H    ALA  59           HN       ALA  59  10.534   6.303   0.363
  436    HA   ALA  59           HA       ALA  59   8.006   5.178   0.423
  437    HB1  ALA  59           HB1      ALA  59   9.523   5.475   2.392
  438    HB2  ALA  59           HB2      ALA  59   7.855   5.962   2.702
  439    HB3  ALA  59           HB3      ALA  59   9.094   7.185   2.409
  440    H    LEU  60           HN       LEU  60   9.071   8.465  -0.006
  441    HA   LEU  60           HA       LEU  60   6.594   9.743   0.369
  442    HB2  LEU  60           HB2      LEU  60   9.093  10.518  -1.113
  443    HB3  LEU  60           HB1      LEU  60   7.702  11.580  -1.004
  444    HG   LEU  60           HG       LEU  60   9.444  12.163   0.641
  445   HD11  LEU  60          HD11      LEU  60   7.104  12.645   1.135
  446   HD12  LEU  60          HD12      LEU  60   8.028  12.281   2.593
  447   HD13  LEU  60          HD13      LEU  60   6.953  11.066   1.905
  448   HD21  LEU  60          HD21      LEU  60  10.358   9.939   1.053
  449   HD22  LEU  60          HD22      LEU  60   8.847   9.462   1.831
  450   HD23  LEU  60          HD23      LEU  60   9.856  10.713   2.557
  451    H    GLU  61           HN       GLU  61   8.246   8.658  -2.609
  452    HA   GLU  61           HA       GLU  61   5.993   9.426  -4.216
  453    HB2  GLU  61           HB2      GLU  61   7.168   7.923  -5.963
  454    HB3  GLU  61           HB1      GLU  61   7.932   9.435  -5.479
  455    HG2  GLU  61           HG2      GLU  61   9.381   8.180  -3.950
  456    HG3  GLU  61           HG1      GLU  61   8.630   6.683  -4.494
  457    H    LEU  62           HN       LEU  62   6.997   6.489  -2.593
  458    HA   LEU  62           HA       LEU  62   5.043   4.774  -3.730
  459    HB2  LEU  62           HB2      LEU  62   6.815   3.847  -2.399
  460    HB3  LEU  62           HB1      LEU  62   6.306   4.777  -1.005
  461    HG   LEU  62           HG       LEU  62   4.201   3.530  -0.923
  462   HD11  LEU  62          HD11      LEU  62   3.944   1.526  -2.309
  463   HD12  LEU  62          HD12      LEU  62   5.375   1.999  -3.223
  464   HD13  LEU  62          HD13      LEU  62   3.937   3.018  -3.250
  465   HD21  LEU  62          HD21      LEU  62   6.587   1.717  -1.030
  466   HD22  LEU  62          HD22      LEU  62   5.105   1.486  -0.096
  467   HD23  LEU  62          HD23      LEU  62   6.208   2.805   0.302
  468    H    ARG  63           HN       ARG  63   5.049   6.816  -0.858
  469    HA   ARG  63           HA       ARG  63   2.483   6.270   0.100
  470    HB2  ARG  63           HB2      ARG  63   3.931   7.534   1.480
  471    HB3  ARG  63           HB1      ARG  63   4.328   8.656   0.188
  472    HG2  ARG  63           HG2      ARG  63   1.786   9.255   0.327
  473    HG3  ARG  63           HG1      ARG  63   1.934   8.573   1.949
  474    HD2  ARG  63           HD2      ARG  63   2.295  10.973   1.994
  475    HD3  ARG  63           HD1      ARG  63   3.770  10.114   2.426
  476    HE   ARG  63           HE       ARG  63   4.450  10.528   0.029
  477   HH11  ARG  63          HH11      ARG  63   2.253  12.647   1.744
  478   HH12  ARG  63          HH12      ARG  63   2.666  14.046   0.807
  479   HH21  ARG  63          HH21      ARG  63   4.996  12.383  -1.217
  480   HH22  ARG  63          HH22      ARG  63   4.218  13.896  -0.873
  481    H    ASP  64           HN       ASP  64   3.775   8.641  -2.143
  482    HA   ASP  64           HA       ASP  64   1.478   9.912  -2.987
  483    HB2  ASP  64           HB2      ASP  64   3.812  10.535  -3.550
  484    HB3  ASP  64           HB1      ASP  64   3.863   9.175  -4.658
  485    H    HIS  65           HN       HIS  65   2.975   6.927  -4.140
  486    HA   HIS  65           HA       HIS  65   1.239   6.399  -6.267
  487    HB2  HIS  65           HB2      HIS  65   2.837   4.573  -4.515
  488    HB3  HIS  65           HB1      HIS  65   1.939   4.013  -5.904
  489    HD1  HIS  65           HD1      HIS  65   2.895   6.667  -7.631
  490    HD2  HIS  65           HD2      HIS  65   5.202   3.851  -5.666
  491    HE1  HIS  65           HE1      HIS  65   5.178   6.767  -8.707
  492    HE2  HIS  65           HE2      HIS  65   6.526   5.003  -7.561
  493    H    LEU  66           HN       LEU  66   1.052   5.495  -2.823
  494    HA   LEU  66           HA       LEU  66  -1.166   3.766  -3.136
  495    HB2  LEU  66           HB2      LEU  66   0.073   5.207  -0.841
  496    HB3  LEU  66           HB1      LEU  66  -1.450   4.380  -0.618
  497    HG   LEU  66           HG       LEU  66  -0.508   2.281  -0.790
  498   HD11  LEU  66          HD11      LEU  66   1.631   1.775  -1.847
  499   HD12  LEU  66          HD12      LEU  66   1.840   3.481  -2.244
  500   HD13  LEU  66          HD13      LEU  66   0.527   2.559  -2.973
  501   HD21  LEU  66          HD21      LEU  66   1.683   4.052   0.254
  502   HD22  LEU  66          HD22      LEU  66   1.611   2.302   0.477
  503   HD23  LEU  66          HD23      LEU  66   0.363   3.334   1.177
  504    H    GLN  67           HN       GLN  67  -0.904   7.186  -2.374
  505    HA   GLN  67           HA       GLN  67  -3.689   7.578  -1.858
  506    HB2  GLN  67           HB2      GLN  67  -1.816   9.723  -2.798
  507    HB3  GLN  67           HB1      GLN  67  -3.187   9.869  -1.708
  508    HG2  GLN  67           HG2      GLN  67  -2.046   8.963   0.070
  509    HG3  GLN  67           HG1      GLN  67  -0.893   8.152  -0.992
  510   HE21  GLN  67          HE21      GLN  67  -0.308  10.404  -2.616
  511   HE22  GLN  67          HE22      GLN  67   0.644  11.482  -1.671
  512    H    THR  68           HN       THR  68  -1.617   7.816  -4.672
  513    HA   THR  68           HA       THR  68  -3.574   8.838  -6.421
  514    HB   THR  68           HB       THR  68  -0.875   7.639  -6.550
  515    HG1  THR  68           HG1      THR  68  -1.396   9.755  -8.179
  516   HG21  THR  68          HG21      THR  68  -0.878   7.621  -9.016
  517   HG22  THR  68          HG22      THR  68  -2.623   7.885  -8.999
  518   HG23  THR  68          HG23      THR  68  -1.946   6.401  -8.324
  519    H    ALA  69           HN       ALA  69  -2.314   5.666  -5.717
  520    HA   ALA  69           HA       ALA  69  -3.888   4.097  -7.346
  521    HB1  ALA  69           HB1      ALA  69  -3.340   2.283  -5.829
  522    HB2  ALA  69           HB2      ALA  69  -2.817   3.459  -4.620
  523    HB3  ALA  69           HB3      ALA  69  -1.938   3.309  -6.142
  524    H    THR  70           HN       THR  70  -4.502   5.044  -3.964
  525    HA   THR  70           HA       THR  70  -7.049   3.629  -4.036
  526    HB   THR  70           HB       THR  70  -7.166   4.068  -1.638
  527    HG1  THR  70           HG1      THR  70  -4.644   5.342  -1.723
  528   HG21  THR  70          HG21      THR  70  -5.741   2.206  -2.475
  529   HG22  THR  70          HG22      THR  70  -5.207   2.858  -0.928
  530   HG23  THR  70          HG23      THR  70  -4.354   3.296  -2.407
  531    H    GLY  71           HN       GLY  71  -5.798   6.868  -3.849
  532    HA2  GLY  71           HA2      GLY  71  -6.955   8.823  -4.457
  533    HA3  GLY  71           HA1      GLY  71  -8.472   7.944  -4.301
  534    H    LEU  72           HN       LEU  72  -6.571   7.206  -1.730
  535    HA   LEU  72           HA       LEU  72  -8.229   8.865   0.014
  536    HB2  LEU  72           HB2      LEU  72  -6.672   6.323   0.356
  537    HB3  LEU  72           HB1      LEU  72  -7.178   7.245   1.755
  538    HG   LEU  72           HG       LEU  72  -8.681   5.346   1.220
  539   HD11  LEU  72          HD11      LEU  72  -9.998   8.037   0.936
  540   HD12  LEU  72          HD12      LEU  72  -9.504   7.288   2.455
  541   HD13  LEU  72          HD13      LEU  72 -10.763   6.538   1.475
  542   HD21  LEU  72          HD21      LEU  72 -10.199   5.480  -0.675
  543   HD22  LEU  72          HD22      LEU  72  -8.521   5.375  -1.206
  544   HD23  LEU  72          HD23      LEU  72  -9.363   6.922  -1.251
  545    H    ASN  73           HN       ASN  73  -6.646   8.858   2.297
  546    HA   ASN  73           HA       ASN  73  -4.531  10.715   1.442
  547    HB2  ASN  73           HB2      ASN  73  -6.551  11.860   2.322
  548    HB3  ASN  73           HB1      ASN  73  -6.343  11.001   3.843
  549   HD21  ASN  73          HD21      ASN  73  -3.745  12.329   1.871
  550   HD22  ASN  73          HD22      ASN  73  -3.239  13.514   3.029
  551    H    LEU  74           HN       LEU  74  -2.749   9.467   1.783
  552    HA   LEU  74           HA       LEU  74  -2.508   8.067   4.318
  553    HB2  LEU  74           HB2      LEU  74  -0.914   7.896   1.771
  554    HB3  LEU  74           HB1      LEU  74  -0.527   7.003   3.240
  555    HG   LEU  74           HG       LEU  74  -3.005   6.155   3.010
  556   HD11  LEU  74          HD11      LEU  74  -3.535   7.621   1.079
  557   HD12  LEU  74          HD12      LEU  74  -3.771   5.908   0.736
  558   HD13  LEU  74          HD13      LEU  74  -2.337   6.744   0.125
  559   HD21  LEU  74          HD21      LEU  74  -2.135   4.300   1.578
  560   HD22  LEU  74          HD22      LEU  74  -1.178   4.671   3.011
  561   HD23  LEU  74          HD23      LEU  74  -0.640   5.220   1.421
  562    H    SER  75           HN       SER  75   0.478   8.083   4.291
  563    HA   SER  75           HA       SER  75   0.817  10.821   5.292
  564    HB2  SER  75           HB2      SER  75   1.838   9.723   7.393
  565    HB3  SER  75           HB1      SER  75   0.082   9.774   7.251
  566    HG   SER  75           HG       SER  75   0.698   7.711   7.852
  567    H    SER  76           HN       SER  76   3.113  11.234   6.072
  568    HA   SER  76           HA       SER  76   4.881  10.739   3.940
  569    HB2  SER  76           HB2      SER  76   6.578  11.800   5.502
  570    HB3  SER  76           HB1      SER  76   5.125  12.752   5.194
  571    HG   SER  76           HG       SER  76   5.882  12.480   7.473
  572    H    THR  77           HN       THR  77   4.823   9.437   7.236
  573    HA   THR  77           HA       THR  77   6.959   7.547   6.518
  574    HB   THR  77           HB       THR  77   7.036   7.134   9.023
  575    HG1  THR  77           HG1      THR  77   5.375   8.011  10.031
  576   HG21  THR  77          HG21      THR  77   8.696   8.494   7.886
  577   HG22  THR  77          HG22      THR  77   8.320   9.191   9.461
  578   HG23  THR  77          HG23      THR  77   7.644   9.903   7.996
  579    H    LEU  78           HN       LEU  78   4.327   7.429   5.642
  580    HA   LEU  78           HA       LEU  78   2.438   5.916   6.852
  581    HB2  LEU  78           HB2      LEU  78   2.411   7.047   4.641
  582    HB3  LEU  78           HB1      LEU  78   3.388   5.751   4.011
  583    HG   LEU  78           HG       LEU  78   0.770   5.885   3.687
  584   HD11  LEU  78          HD11      LEU  78   0.820   3.402   3.374
  585   HD12  LEU  78          HD12      LEU  78   2.472   3.445   3.994
  586   HD13  LEU  78          HD13      LEU  78   2.057   4.328   2.511
  587   HD21  LEU  78          HD21      LEU  78  -0.013   5.783   5.846
  588   HD22  LEU  78          HD22      LEU  78   1.185   4.583   6.339
  589   HD23  LEU  78          HD23      LEU  78  -0.162   4.112   5.295
  590    H    ILE  79           HN       ILE  79   4.934   4.595   4.715
  591    HA   ILE  79           HA       ILE  79   4.375   1.877   5.454
  592    HB   ILE  79           HB       ILE  79   6.186   1.320   3.949
  593   HG12  ILE  79          HG12      ILE  79   6.778   4.266   4.066
  594   HG13  ILE  79          HG11      ILE  79   7.866   2.925   4.417
  595   HG21  ILE  79          HG21      ILE  79   5.390   2.434   1.920
  596   HG22  ILE  79          HG22      ILE  79   4.483   3.577   2.916
  597   HG23  ILE  79          HG23      ILE  79   4.064   1.860   2.933
  598   HD11  ILE  79          HD11      ILE  79   6.832   3.860   1.771
  599   HD12  ILE  79          HD12      ILE  79   7.606   2.284   1.987
  600   HD13  ILE  79          HD13      ILE  79   8.504   3.762   2.326
  601    H    PHE  80           HN       PHE  80   5.822   4.089   7.266
  602    HA   PHE  80           HA       PHE  80   7.595   2.081   8.468
  603    HB2  PHE  80           HB2      PHE  80   7.842   5.095   8.525
  604    HB3  PHE  80           HB1      PHE  80   8.871   3.989   9.429
  605    HD1  PHE  80           HD1      PHE  80   9.055   6.049   6.814
  606    HD2  PHE  80           HD2      PHE  80   9.515   1.889   7.613
  607    HE1  PHE  80           HE1      PHE  80  10.568   5.854   4.889
  608    HE2  PHE  80           HE2      PHE  80  11.022   1.683   5.685
  609    HZ   PHE  80           HZ       PHE  80  11.458   3.635   4.249
  610    H    ASP  81           HN       ASP  81   4.841   3.956   8.684
  611    HA   ASP  81           HA       ASP  81   4.482   3.698  11.533
  612    HB2  ASP  81           HB2      ASP  81   3.351   5.371   9.717
  613    HB3  ASP  81           HB1      ASP  81   2.171   4.076   9.742
  614    H    HIS  82           HN       HIS  82   3.584   2.260   8.539
  615    HA   HIS  82           HA       HIS  82   2.625  -0.157   9.883
  616    HB2  HIS  82           HB2      HIS  82   1.812   0.839   7.141
  617    HB3  HIS  82           HB1      HIS  82   1.078  -0.462   8.065
  618    HD1  HIS  82           HD1      HIS  82  -0.395   0.238  10.132
  619    HD2  HIS  82           HD2      HIS  82   0.985   3.391   7.788
  620    HE1  HIS  82           HE1      HIS  82  -1.661   2.266  10.912
  621    HE2  HIS  82           HE2      HIS  82  -0.618   4.185   9.663
  622    HA   PRO  83           HA       PRO  83   6.619  -1.083   8.447
  623    HB2  PRO  83           HB2      PRO  83   6.628  -3.764   9.039
  624    HB3  PRO  83           HB1      PRO  83   6.844  -2.484  10.238
  625    HG2  PRO  83           HG2      PRO  83   4.351  -3.998   9.512
  626    HG3  PRO  83           HG1      PRO  83   4.978  -3.572  11.122
  627    HD2  PRO  83           HD2      PRO  83   3.010  -2.154   9.985
  628    HD3  PRO  83           HD1      PRO  83   4.270  -1.364  10.942
  629    H    THR  84           HN       THR  84   4.031  -3.267   7.343
  630    HA   THR  84           HA       THR  84   5.729  -3.887   5.041
  631    HB   THR  84           HB       THR  84   4.688  -6.075   4.956
  632    HG1  THR  84           HG1      THR  84   3.434  -6.490   7.106
  633   HG21  THR  84          HG21      THR  84   6.698  -5.786   6.356
  634   HG22  THR  84          HG22      THR  84   5.635  -7.048   6.979
  635   HG23  THR  84          HG23      THR  84   5.664  -5.461   7.748
  636    HA   PRO  85           HA       PRO  85   2.469  -2.630   2.303
  637    HB2  PRO  85           HB2      PRO  85   2.804  -5.254   0.972
  638    HB3  PRO  85           HB1      PRO  85   2.921  -3.637   0.285
  639    HG2  PRO  85           HG2      PRO  85   5.090  -5.162   0.713
  640    HG3  PRO  85           HG1      PRO  85   5.127  -3.397   0.867
  641    HD2  PRO  85           HD2      PRO  85   5.112  -5.477   2.983
  642    HD3  PRO  85           HD1      PRO  85   5.856  -3.873   2.983
  643    H    HIS  86           HN       HIS  86   2.565  -5.525   4.059
  644    HA   HIS  86           HA       HIS  86  -0.175  -6.311   3.664
  645    HB2  HIS  86           HB2      HIS  86   1.091  -8.095   4.399
  646    HB3  HIS  86           HB1      HIS  86   2.079  -7.104   5.448
  647    HD1  HIS  86           HD1      HIS  86  -0.803  -9.380   5.480
  648    HD2  HIS  86           HD2      HIS  86   0.791  -6.423   7.947
  649    HE1  HIS  86           HE1      HIS  86  -1.822  -9.770   7.744
  650    HE2  HIS  86           HE2      HIS  86  -0.975  -7.878   9.174
  651    H    ALA  87           HN       ALA  87   1.675  -4.587   6.109
  652    HA   ALA  87           HA       ALA  87  -0.549  -4.053   7.825
  653    HB1  ALA  87           HB1      ALA  87   2.144  -2.695   7.718
  654    HB2  ALA  87           HB2      ALA  87   1.788  -4.166   8.630
  655    HB3  ALA  87           HB3      ALA  87   0.999  -2.649   9.061
  656    H    VAL  88           HN       VAL  88   0.801  -2.672   5.073
  657    HA   VAL  88           HA       VAL  88  -0.335  -0.036   5.485
  658    HB   VAL  88           HB       VAL  88   1.182  -1.281   3.214
  659   HG11  VAL  88          HG11      VAL  88   0.106   1.510   3.459
  660   HG12  VAL  88          HG12      VAL  88  -0.345   0.291   2.267
  661   HG13  VAL  88          HG13      VAL  88   1.276   0.989   2.246
  662   HG21  VAL  88          HG21      VAL  88   2.939   0.314   3.862
  663   HG22  VAL  88          HG22      VAL  88   2.547  -0.827   5.148
  664   HG23  VAL  88          HG23      VAL  88   1.939   0.832   5.220
  665    H    ALA  89           HN       ALA  89  -0.808  -2.820   3.363
  666    HA   ALA  89           HA       ALA  89  -2.911  -1.750   1.871
  667    HB1  ALA  89           HB1      ALA  89  -1.835  -3.771   1.158
  668    HB2  ALA  89           HB2      ALA  89  -3.548  -4.096   1.410
  669    HB3  ALA  89           HB3      ALA  89  -2.364  -4.619   2.610
  670    H    GLU  90           HN       GLU  90  -2.934  -3.493   5.005
  671    HA   GLU  90           HA       GLU  90  -5.799  -3.445   5.135
  672    HB2  GLU  90           HB2      GLU  90  -5.430  -4.027   7.544
  673    HB3  GLU  90           HB1      GLU  90  -4.666  -5.123   6.401
  674    HG2  GLU  90           HG2      GLU  90  -2.539  -4.067   6.756
  675    HG3  GLU  90           HG1      GLU  90  -3.269  -2.884   7.835
  676    H    HIS  91           HN       HIS  91  -3.205  -1.336   6.051
  677    HA   HIS  91           HA       HIS  91  -4.668   0.511   7.556
  678    HB2  HIS  91           HB2      HIS  91  -2.322   0.694   7.675
  679    HB3  HIS  91           HB1      HIS  91  -2.151   0.723   5.918
  680    HD1  HIS  91           HD1      HIS  91  -3.450   2.925   8.742
  681    HD2  HIS  91           HD2      HIS  91  -2.100   3.170   4.824
  682    HE1  HIS  91           HE1      HIS  91  -3.285   5.382   8.247
  683    HE2  HIS  91           HE2      HIS  91  -2.636   5.514   5.822
  684    H    LEU  92           HN       LEU  92  -4.484  -0.134   4.170
  685    HA   LEU  92           HA       LEU  92  -5.629   2.337   3.335
  686    HB2  LEU  92           HB2      LEU  92  -4.875  -0.227   2.038
  687    HB3  LEU  92           HB1      LEU  92  -6.095   0.754   1.237
  688    HG   LEU  92           HG       LEU  92  -4.617   2.509   0.837
  689   HD11  LEU  92          HD11      LEU  92  -2.288   2.498   1.894
  690   HD12  LEU  92          HD12      LEU  92  -2.968   1.366   3.062
  691   HD13  LEU  92          HD13      LEU  92  -3.648   2.988   2.903
  692   HD21  LEU  92          HD21      LEU  92  -4.082   0.573  -0.525
  693   HD22  LEU  92          HD22      LEU  92  -2.940   0.021   0.700
  694   HD23  LEU  92          HD23      LEU  92  -2.638   1.522  -0.176
  695    H    LEU  93           HN       LEU  93  -6.828  -0.394   4.820
  696    HA   LEU  93           HA       LEU  93  -9.529  -0.288   3.785
  697    HB2  LEU  93           HB2      LEU  93  -8.266  -1.725   6.090
  698    HB3  LEU  93           HB1      LEU  93  -9.998  -1.729   5.850
  699    HG   LEU  93           HG       LEU  93  -9.852  -3.063   3.934
  700   HD11  LEU  93          HD11      LEU  93  -8.156  -1.896   2.702
  701   HD12  LEU  93          HD12      LEU  93  -7.689  -3.595   2.832
  702   HD13  LEU  93          HD13      LEU  93  -6.918  -2.380   3.863
  703   HD21  LEU  93          HD21      LEU  93  -9.354  -4.246   6.013
  704   HD22  LEU  93          HD22      LEU  93  -7.631  -3.944   5.767
  705   HD23  LEU  93          HD23      LEU  93  -8.520  -4.969   4.636
  706    H    GLU  94           HN       GLU  94  -7.676   0.891   6.405
  707    HA   GLU  94           HA       GLU  94  -9.661   1.865   8.119
  708    HB2  GLU  94           HB2      GLU  94  -6.854   2.762   7.517
  709    HB3  GLU  94           HB1      GLU  94  -7.800   3.408   8.863
  710    HG2  GLU  94           HG2      GLU  94  -6.854   0.581   8.458
  711    HG3  GLU  94           HG1      GLU  94  -6.313   1.724   9.682
  712    H    GLN  95           HN       GLN  95  -8.388   3.013   5.119
  713    HA   GLN  95           HA       GLN  95  -9.358   5.704   5.347
  714    HB2  GLN  95           HB2      GLN  95  -8.562   4.292   2.818
  715    HB3  GLN  95           HB1      GLN  95  -8.348   5.986   3.242
  716    HG2  GLN  95           HG2      GLN  95  -6.909   3.756   4.640
  717    HG3  GLN  95           HG1      GLN  95  -6.270   4.567   3.218
  718   HE21  GLN  95          HE21      GLN  95  -5.376   4.391   6.018
  719   HE22  GLN  95          HE22      GLN  95  -5.150   6.029   6.526
  720    H    ILE  96           HN       ILE  96 -10.576   2.668   4.407
  721    HA   ILE  96           HA       ILE  96 -12.265   3.450   2.269
  722    HB   ILE  96           HB       ILE  96 -12.125   0.941   3.917
  723   HG12  ILE  96          HG12      ILE  96 -10.045   1.667   2.836
  724   HG13  ILE  96          HG11      ILE  96 -10.636   0.147   2.209
  725   HG21  ILE  96          HG21      ILE  96 -14.223   1.186   2.581
  726   HG22  ILE  96          HG22      ILE  96 -13.235  -0.222   2.199
  727   HG23  ILE  96          HG23      ILE  96 -13.206   1.185   1.138
  728   HD11  ILE  96          HD11      ILE  96 -11.373   1.179   0.200
  729   HD12  ILE  96          HD12      ILE  96  -9.731   1.758   0.513
  730   HD13  ILE  96          HD13      ILE  96 -11.120   2.791   0.870
  731    HA   PRO  97           HA       PRO  97 -15.772   4.884   4.411
  732    HB2  PRO  97           HB2      PRO  97 -17.565   4.815   2.446
  733    HB3  PRO  97           HB1      PRO  97 -16.129   5.843   2.341
  734    HG2  PRO  97           HG2      PRO  97 -16.556   3.110   1.188
  735    HG3  PRO  97           HG1      PRO  97 -15.973   4.567   0.375
  736    HD2  PRO  97           HD2      PRO  97 -14.298   2.686   1.303
  737    HD3  PRO  97           HD1      PRO  97 -13.886   4.399   1.310
  738    H    GLY  98           HN       GLY  98 -15.920   2.965   5.892
  739    HA2  GLY  98           HA2      GLY  98 -17.549   1.792   7.061
  740    HA3  GLY  98           HA1      GLY  98 -18.622   1.963   5.683
  741    H    ILE  99           HN       ILE  99 -17.516   0.718   3.679
  742    HA   ILE  99           HA       ILE  99 -17.865  -2.010   4.113
  743    HB   ILE  99           HB       ILE  99 -16.341  -2.088   1.914
  744   HG12  ILE  99          HG12      ILE  99 -17.497   0.633   1.571
  745   HG13  ILE  99          HG11      ILE  99 -16.001   0.494   2.482
  746   HG21  ILE  99          HG21      ILE  99 -18.386  -1.705   0.611
  747   HG22  ILE  99          HG22      ILE  99 -19.159  -1.029   2.045
  748   HG23  ILE  99          HG23      ILE  99 -18.675  -2.724   2.020
  749   HD11  ILE  99          HD11      ILE  99 -15.501   0.989   0.207
  750   HD12  ILE  99          HD12      ILE  99 -16.471  -0.382  -0.352
  751   HD13  ILE  99          HD13      ILE  99 -14.983  -0.663   0.566
  752    H    GLY 100           HN       GLY 100 -15.017  -0.049   4.439
  753    HA2  GLY 100           HA2      GLY 100 -13.442  -2.470   5.012
  754    HA3  GLY 100           HA1      GLY 100 -12.769  -1.041   4.231
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -14.362  15.910  -2.229
    2    H2   GLY   1           HT2      GLY   1 -15.114  15.601  -0.747
    3    H3   GLY   1           HT3      GLY   1 -14.603  14.316  -1.717
    4    HA2  GLY   1           HA1      GLY   1 -12.849  16.305  -0.386
    5    HA3  GLY   1           HA2      GLY   1 -13.081  14.640   0.124
    6    H    SER   2           HN       SER   2 -12.509  12.961  -1.484
    7    HA   SER   2           HA       SER   2 -10.508  13.828  -3.440
    8    HB2  SER   2           HB2      SER   2  -9.026  11.965  -2.728
    9    HB3  SER   2           HB1      SER   2  -9.257  13.154  -1.448
   10    HG   SER   2           HG       SER   2  -9.814  10.526  -1.441
   11    H    THR   3           HN       THR   3  -9.796  11.453  -4.527
   12    HA   THR   3           HA       THR   3 -12.075  10.664  -5.987
   13    HB   THR   3           HB       THR   3  -9.380   9.319  -5.719
   14    HG1  THR   3           HG1      THR   3  -8.781  10.854  -7.030
   15   HG21  THR   3          HG21      THR   3 -10.988   7.697  -6.498
   16   HG22  THR   3          HG22      THR   3  -9.967   8.199  -7.852
   17   HG23  THR   3          HG23      THR   3 -11.607   8.834  -7.699
   18    H    ALA   4           HN       ALA   4 -10.084   8.296  -4.298
   19    HA   ALA   4           HA       ALA   4 -10.522   6.471  -3.071
   20    HB1  ALA   4           HB1      ALA   4 -13.073   7.872  -2.280
   21    HB2  ALA   4           HB2      ALA   4 -11.511   8.064  -1.484
   22    HB3  ALA   4           HB3      ALA   4 -12.331   6.502  -1.452
   23    H    THR   5           HN       THR   5 -13.632   7.441  -4.532
   24    HA   THR   5           HA       THR   5 -14.869   5.041  -4.863
   25    HB   THR   5           HB       THR   5 -14.824   7.145  -7.019
   26    HG1  THR   5           HG1      THR   5 -16.071   8.387  -5.742
   27   HG21  THR   5          HG21      THR   5 -17.159   6.506  -7.327
   28   HG22  THR   5          HG22      THR   5 -17.025   5.331  -6.020
   29   HG23  THR   5          HG23      THR   5 -16.110   5.099  -7.511
   30    H    LEU   6           HN       LEU   6 -12.091   6.118  -6.617
   31    HA   LEU   6           HA       LEU   6 -12.052   4.355  -8.755
   32    HB2  LEU   6           HB2      LEU   6 -10.398   6.036  -8.660
   33    HB3  LEU   6           HB1      LEU   6  -9.915   5.573  -7.039
   34    HG   LEU   6           HG       LEU   6  -8.889   3.522  -7.925
   35   HD11  LEU   6          HD11      LEU   6 -10.319   3.196  -9.874
   36   HD12  LEU   6          HD12      LEU   6  -8.617   3.227 -10.330
   37   HD13  LEU   6          HD13      LEU   6  -9.634   4.636 -10.627
   38   HD21  LEU   6          HD21      LEU   6  -6.997   4.588  -8.992
   39   HD22  LEU   6          HD22      LEU   6  -7.594   5.593  -7.670
   40   HD23  LEU   6          HD23      LEU   6  -7.968   6.018  -9.340
   41    H    LEU   7           HN       LEU   7 -10.298   3.910  -5.687
   42    HA   LEU   7           HA       LEU   7 -10.055   1.090  -6.201
   43    HB2  LEU   7           HB2      LEU   7  -8.644   2.991  -4.707
   44    HB3  LEU   7           HB1      LEU   7  -9.327   1.880  -3.532
   45    HG   LEU   7           HG       LEU   7  -7.049   1.227  -4.244
   46   HD11  LEU   7          HD11      LEU   7  -8.781  -0.359  -3.426
   47   HD12  LEU   7          HD12      LEU   7  -7.567  -1.099  -4.475
   48   HD13  LEU   7          HD13      LEU   7  -9.177  -0.725  -5.106
   49   HD21  LEU   7          HD21      LEU   7  -6.637   0.397  -6.448
   50   HD22  LEU   7          HD22      LEU   7  -7.328   2.014  -6.613
   51   HD23  LEU   7          HD23      LEU   7  -8.330   0.594  -6.898
   52    H    THR   8           HN       THR   8 -11.944   3.187  -4.196
   53    HA   THR   8           HA       THR   8 -12.899   1.388  -2.300
   54    HB   THR   8           HB       THR   8 -14.107   3.841  -3.524
   55    HG1  THR   8           HG1      THR   8 -12.283   4.128  -2.183
   56   HG21  THR   8          HG21      THR   8 -15.153   2.306  -1.145
   57   HG22  THR   8          HG22      THR   8 -15.936   2.398  -2.721
   58   HG23  THR   8          HG23      THR   8 -15.765   3.850  -1.733
   59    H    SER   9           HN       SER   9 -13.931   1.977  -5.601
   60    HA   SER   9           HA       SER   9 -16.287   0.406  -5.510
   61    HB2  SER   9           HB2      SER   9 -14.507   1.354  -7.751
   62    HB3  SER   9           HB1      SER   9 -15.967   0.396  -8.047
   63    HG   SER   9           HG       SER   9 -15.666   3.036  -7.266
   64    H    LYS  10           HN       LYS  10 -12.924  -0.339  -5.764
   65    HA   LYS  10           HA       LYS  10 -13.200  -3.038  -6.604
   66    HB2  LYS  10           HB2      LYS  10 -11.047  -1.682  -6.642
   67    HB3  LYS  10           HB1      LYS  10 -11.005  -1.870  -4.889
   68    HG2  LYS  10           HG2      LYS  10  -9.569  -3.506  -5.724
   69    HG3  LYS  10           HG1      LYS  10 -11.046  -4.361  -5.292
   70    HD2  LYS  10           HD2      LYS  10 -10.571  -3.386  -8.083
   71    HD3  LYS  10           HD1      LYS  10  -9.912  -4.931  -7.536
   72    HE2  LYS  10           HE2      LYS  10 -12.374  -5.391  -6.790
   73    HE3  LYS  10           HE1      LYS  10 -12.758  -4.096  -7.922
   74    HZ1  LYS  10           HZ1      LYS  10 -12.908  -6.222  -9.002
   75    HZ2  LYS  10           HZ2      LYS  10 -11.309  -6.591  -8.592
   76    HZ3  LYS  10           HZ3      LYS  10 -11.638  -5.328  -9.670
   77    H    LEU  11           HN       LEU  11 -12.529  -1.547  -3.469
   78    HA   LEU  11           HA       LEU  11 -12.600  -3.924  -1.988
   79    HB2  LEU  11           HB2      LEU  11 -13.195  -1.135  -1.018
   80    HB3  LEU  11           HB1      LEU  11 -12.861  -2.509   0.006
   81    HG   LEU  11           HG       LEU  11 -10.798  -1.556   0.017
   82   HD11  LEU  11          HD11      LEU  11 -10.611  -3.793  -1.011
   83   HD12  LEU  11          HD12      LEU  11  -9.312  -2.695  -1.488
   84   HD13  LEU  11          HD13      LEU  11 -10.643  -3.026  -2.605
   85   HD21  LEU  11          HD21      LEU  11 -11.026  -0.695  -2.855
   86   HD22  LEU  11          HD22      LEU  11  -9.881  -0.136  -1.629
   87   HD23  LEU  11          HD23      LEU  11 -11.586   0.296  -1.506
   88    H    ALA  12           HN       ALA  12 -15.124  -1.817  -3.057
   89    HA   ALA  12           HA       ALA  12 -17.255  -2.606  -1.473
   90    HB1  ALA  12           HB1      ALA  12 -18.663  -1.996  -3.396
   91    HB2  ALA  12           HB2      ALA  12 -17.226  -1.974  -4.425
   92    HB3  ALA  12           HB3      ALA  12 -17.388  -0.811  -3.108
   93    H    GLY  13           HN       GLY  13 -15.653  -4.273  -4.096
   94    HA2  GLY  13           HA2      GLY  13 -17.662  -6.392  -4.155
   95    HA3  GLY  13           HA1      GLY  13 -16.281  -6.228  -5.231
   96    H    LEU  14           HN       LEU  14 -14.952  -5.736  -2.314
   97    HA   LEU  14           HA       LEU  14 -14.324  -8.576  -1.960
   98    HB2  LEU  14           HB2      LEU  14 -12.847  -6.102  -1.175
   99    HB3  LEU  14           HB1      LEU  14 -12.411  -7.664  -0.588
  100    HG   LEU  14           HG       LEU  14 -10.967  -7.648  -2.272
  101   HD11  LEU  14          HD11      LEU  14 -11.801  -8.604  -4.339
  102   HD12  LEU  14          HD12      LEU  14 -13.450  -8.181  -3.870
  103   HD13  LEU  14          HD13      LEU  14 -12.540  -9.365  -2.926
  104   HD21  LEU  14          HD21      LEU  14 -11.320  -5.321  -2.697
  105   HD22  LEU  14          HD22      LEU  14 -12.753  -5.680  -3.663
  106   HD23  LEU  14          HD23      LEU  14 -11.159  -6.189  -4.227
  107    H    THR  15           HN       THR  15 -13.762  -9.173   0.217
  108    HA   THR  15           HA       THR  15 -15.358  -7.861   2.292
  109    HB   THR  15           HB       THR  15 -14.998  -9.864   3.603
  110    HG1  THR  15           HG1      THR  15 -13.624 -11.371   1.788
  111   HG21  THR  15          HG21      THR  15 -15.908 -11.610   2.101
  112   HG22  THR  15          HG22      THR  15 -15.536 -10.576   0.715
  113   HG23  THR  15          HG23      THR  15 -16.734 -10.063   1.908
  114    H    ALA  16           HN       ALA  16 -14.059  -7.609   4.447
  115    HA   ALA  16           HA       ALA  16 -11.946  -5.875   4.065
  116    HB1  ALA  16           HB1      ALA  16 -12.398  -7.662   6.459
  117    HB2  ALA  16           HB2      ALA  16 -13.157  -6.094   6.179
  118    HB3  ALA  16           HB3      ALA  16 -11.413  -6.199   6.431
  119    H    THR  17           HN       THR  17 -11.887  -9.355   4.245
  120    HA   THR  17           HA       THR  17  -9.064  -9.599   4.514
  121    HB   THR  17           HB       THR  17 -11.169 -11.612   3.689
  122    HG1  THR  17           HG1      THR  17 -10.012 -11.960   6.128
  123   HG21  THR  17          HG21      THR  17  -8.323 -12.063   4.566
  124   HG22  THR  17          HG22      THR  17  -8.935 -12.244   2.922
  125   HG23  THR  17          HG23      THR  17  -9.513 -13.315   4.201
  126    H    GLU  18           HN       GLU  18 -11.299  -9.782   1.706
  127    HA   GLU  18           HA       GLU  18  -9.144 -10.292  -0.061
  128    HB2  GLU  18           HB2      GLU  18 -11.957  -9.362  -0.535
  129    HB3  GLU  18           HB1      GLU  18 -10.831  -9.850  -1.782
  130    HG2  GLU  18           HG2      GLU  18 -10.761 -12.085  -0.861
  131    HG3  GLU  18           HG1      GLU  18 -11.836 -11.587   0.439
  132    H    GLN  19           HN       GLN  19 -10.765  -7.474   1.188
  133    HA   GLN  19           HA       GLN  19  -9.811  -5.544  -0.625
  134    HB2  GLN  19           HB2      GLN  19 -10.445  -5.313   2.309
  135    HB3  GLN  19           HB1      GLN  19 -10.245  -3.956   1.214
  136    HG2  GLN  19           HG2      GLN  19 -12.162  -4.645  -0.040
  137    HG3  GLN  19           HG1      GLN  19 -12.326  -6.089   0.942
  138   HE21  GLN  19          HE21      GLN  19 -14.305  -4.165   0.536
  139   HE22  GLN  19          HE22      GLN  19 -14.666  -3.446   2.081
  140    H    ARG  20           HN       ARG  20  -8.590  -6.770   2.453
  141    HA   ARG  20           HA       ARG  20  -6.248  -5.234   2.507
  142    HB2  ARG  20           HB2      ARG  20  -5.506  -6.674   4.215
  143    HB3  ARG  20           HB1      ARG  20  -7.250  -6.547   4.379
  144    HG2  ARG  20           HG2      ARG  20  -7.542  -8.596   3.203
  145    HG3  ARG  20           HG1      ARG  20  -5.789  -8.751   3.057
  146    HD2  ARG  20           HD2      ARG  20  -5.665  -8.672   5.569
  147    HD3  ARG  20           HD1      ARG  20  -7.419  -8.809   5.578
  148    HE   ARG  20           HE       ARG  20  -6.395 -10.884   4.017
  149   HH11  ARG  20          HH11      ARG  20  -6.445  -9.873   7.371
  150   HH12  ARG  20          HH12      ARG  20  -6.263 -11.484   7.987
  151   HH21  ARG  20          HH21      ARG  20  -6.142 -12.998   4.833
  152   HH22  ARG  20          HH22      ARG  20  -6.090 -13.258   6.545
  153    H    ALA  21           HN       ALA  21  -7.114  -8.188   0.966
  154    HA   ALA  21           HA       ALA  21  -4.486  -8.995   0.246
  155    HB1  ALA  21           HB1      ALA  21  -5.574 -10.663  -1.136
  156    HB2  ALA  21           HB2      ALA  21  -7.116  -9.824  -0.961
  157    HB3  ALA  21           HB3      ALA  21  -6.352 -10.568   0.444
  158    H    VAL  22           HN       VAL  22  -6.988  -7.165  -1.440
  159    HA   VAL  22           HA       VAL  22  -5.726  -7.373  -3.971
  160    HB   VAL  22           HB       VAL  22  -7.254  -5.520  -4.695
  161   HG11  VAL  22          HG11      VAL  22  -7.844  -7.910  -4.849
  162   HG12  VAL  22          HG12      VAL  22  -9.251  -6.870  -4.618
  163   HG13  VAL  22          HG13      VAL  22  -8.608  -7.800  -3.262
  164   HG21  VAL  22          HG21      VAL  22  -9.071  -4.882  -3.148
  165   HG22  VAL  22          HG22      VAL  22  -7.488  -4.315  -2.613
  166   HG23  VAL  22          HG23      VAL  22  -8.229  -5.720  -1.845
  167    H    THR  23           HN       THR  23  -5.665  -4.779  -1.500
  168    HA   THR  23           HA       THR  23  -3.683  -3.471  -3.181
  169    HB   THR  23           HB       THR  23  -5.181  -1.953  -2.304
  170    HG1  THR  23           HG1      THR  23  -2.722  -1.734  -0.941
  171   HG21  THR  23          HG21      THR  23  -5.564  -1.513   0.031
  172   HG22  THR  23          HG22      THR  23  -4.377  -2.738   0.466
  173   HG23  THR  23          HG23      THR  23  -5.893  -3.218  -0.295
  174    H    ARG  24           HN       ARG  24  -3.684  -5.715  -0.617
  175    HA   ARG  24           HA       ARG  24  -1.038  -5.319   0.257
  176    HB2  ARG  24           HB2      ARG  24  -2.185  -7.119   1.275
  177    HB3  ARG  24           HB1      ARG  24  -2.680  -7.786  -0.271
  178    HG2  ARG  24           HG2      ARG  24  -0.003  -7.935  -0.516
  179    HG3  ARG  24           HG1      ARG  24  -0.181  -8.135   1.228
  180    HD2  ARG  24           HD2      ARG  24  -0.196 -10.231  -0.177
  181    HD3  ARG  24           HD1      ARG  24  -1.521 -10.043   0.978
  182    HE   ARG  24           HE       ARG  24  -2.374  -9.007  -1.467
  183   HH11  ARG  24          HH11      ARG  24  -1.427 -12.097  -0.135
  184   HH12  ARG  24          HH12      ARG  24  -2.385 -13.014  -1.251
  185   HH21  ARG  24          HH21      ARG  24  -3.648 -10.217  -2.941
  186   HH22  ARG  24          HH22      ARG  24  -3.654 -11.949  -2.834
  187    H    LYS  25           HN       LYS  25  -2.465  -6.064  -2.713
  188    HA   LYS  25           HA       LYS  25   0.012  -6.879  -3.954
  189    HB2  LYS  25           HB2      LYS  25  -1.712  -8.212  -4.645
  190    HB3  LYS  25           HB1      LYS  25  -2.872  -6.891  -4.652
  191    HG2  LYS  25           HG2      LYS  25  -2.385  -6.297  -6.710
  192    HG3  LYS  25           HG1      LYS  25  -0.655  -6.602  -6.533
  193    HD2  LYS  25           HD2      LYS  25  -0.835  -8.812  -7.045
  194    HD3  LYS  25           HD1      LYS  25  -2.499  -8.905  -6.489
  195    HE2  LYS  25           HE2      LYS  25  -3.208  -7.638  -8.487
  196    HE3  LYS  25           HE1      LYS  25  -1.533  -7.609  -9.038
  197    HZ1  LYS  25           HZ1      LYS  25  -2.761  -9.364 -10.123
  198    HZ2  LYS  25           HZ2      LYS  25  -3.194 -10.037  -8.635
  199    HZ3  LYS  25           HZ3      LYS  25  -1.574 -10.033  -9.121
  200    H    LEU  26           HN       LEU  26  -2.379  -4.221  -3.818
  201    HA   LEU  26           HA       LEU  26  -1.251  -2.737  -5.938
  202    HB2  LEU  26           HB2      LEU  26  -3.537  -2.394  -5.290
  203    HB3  LEU  26           HB1      LEU  26  -3.052  -1.943  -3.673
  204    HG   LEU  26           HG       LEU  26  -3.785  -0.104  -5.303
  205   HD11  LEU  26          HD11      LEU  26  -1.190   0.306  -3.884
  206   HD12  LEU  26          HD12      LEU  26  -2.724   0.072  -3.044
  207   HD13  LEU  26          HD13      LEU  26  -2.508   1.462  -4.118
  208   HD21  LEU  26          HD21      LEU  26  -2.401  -0.767  -7.183
  209   HD22  LEU  26          HD22      LEU  26  -0.956  -0.469  -6.220
  210   HD23  LEU  26          HD23      LEU  26  -2.025   0.872  -6.647
  211    H    VAL  27           HN       VAL  27  -0.956  -2.294  -2.369
  212    HA   VAL  27           HA       VAL  27   0.873  -0.190  -2.496
  213    HB   VAL  27           HB       VAL  27  -0.070  -0.731  -0.337
  214   HG11  VAL  27          HG11      VAL  27   0.727  -2.768   0.892
  215   HG12  VAL  27          HG12      VAL  27   1.350  -3.358  -0.653
  216   HG13  VAL  27          HG13      VAL  27  -0.377  -3.075  -0.450
  217   HG21  VAL  27          HG21      VAL  27   2.153   0.311  -0.347
  218   HG22  VAL  27          HG22      VAL  27   2.897  -1.293  -0.322
  219   HG23  VAL  27          HG23      VAL  27   1.934  -0.743   1.052
  220    H    LEU  28           HN       LEU  28   1.231  -3.592  -2.659
  221    HA   LEU  28           HA       LEU  28   3.999  -3.879  -2.733
  222    HB2  LEU  28           HB2      LEU  28   1.865  -5.521  -2.756
  223    HB3  LEU  28           HB1      LEU  28   2.310  -5.600  -4.444
  224    HG   LEU  28           HG       LEU  28   4.434  -6.558  -3.919
  225   HD11  LEU  28          HD11      LEU  28   5.050  -6.979  -1.550
  226   HD12  LEU  28          HD12      LEU  28   3.701  -5.939  -1.072
  227   HD13  LEU  28          HD13      LEU  28   5.042  -5.277  -2.007
  228   HD21  LEU  28          HD21      LEU  28   2.617  -8.130  -3.952
  229   HD22  LEU  28          HD22      LEU  28   2.186  -7.732  -2.286
  230   HD23  LEU  28          HD23      LEU  28   3.707  -8.569  -2.633
  231    H    ASP  29           HN       ASP  29   1.628  -3.473  -5.297
  232    HA   ASP  29           HA       ASP  29   3.401  -3.658  -7.488
  233    HB2  ASP  29           HB2      ASP  29   0.906  -3.871  -7.587
  234    HB3  ASP  29           HB1      ASP  29   0.801  -2.139  -7.335
  235    H    GLN  30           HN       GLN  30   2.059  -0.941  -5.694
  236    HA   GLN  30           HA       GLN  30   3.250   1.116  -7.146
  237    HB2  GLN  30           HB2      GLN  30   2.597   1.017  -4.224
  238    HB3  GLN  30           HB1      GLN  30   2.802   2.469  -5.192
  239    HG2  GLN  30           HG2      GLN  30   0.611   0.422  -5.447
  240    HG3  GLN  30           HG1      GLN  30   0.486   2.076  -4.865
  241   HE21  GLN  30          HE21      GLN  30   0.852   0.034  -7.638
  242   HE22  GLN  30          HE22      GLN  30   0.526   1.244  -8.834
  243    H    ALA  31           HN       ALA  31   4.293  -0.602  -4.269
  244    HA   ALA  31           HA       ALA  31   6.687   0.809  -3.790
  245    HB1  ALA  31           HB1      ALA  31   6.064  -2.088  -3.210
  246    HB2  ALA  31           HB2      ALA  31   5.574  -0.726  -2.194
  247    HB3  ALA  31           HB3      ALA  31   7.289  -1.092  -2.411
  248    H    ALA  32           HN       ALA  32   5.788  -1.753  -5.881
  249    HA   ALA  32           HA       ALA  32   8.368  -2.560  -6.697
  250    HB1  ALA  32           HB1      ALA  32   6.742  -4.126  -7.152
  251    HB2  ALA  32           HB2      ALA  32   6.862  -3.346  -8.734
  252    HB3  ALA  32           HB3      ALA  32   5.542  -2.912  -7.633
  253    H    SER  33           HN       SER  33   5.962  -0.295  -7.956
  254    HA   SER  33           HA       SER  33   7.303   0.520 -10.273
  255    HB2  SER  33           HB2      SER  33   5.037   1.162 -10.042
  256    HB3  SER  33           HB1      SER  33   5.305   1.832  -8.434
  257    HG   SER  33           HG       SER  33   5.753   2.954 -10.939
  258    H    VAL  34           HN       VAL  34   7.494   1.588  -6.949
  259    HA   VAL  34           HA       VAL  34   9.164   3.816  -7.263
  260    HB   VAL  34           HB       VAL  34   9.154   1.951  -4.910
  261   HG11  VAL  34          HG11      VAL  34   9.523   4.063  -3.657
  262   HG12  VAL  34          HG12      VAL  34   9.658   4.902  -5.203
  263   HG13  VAL  34          HG13      VAL  34  10.827   3.655  -4.772
  264   HG21  VAL  34          HG21      VAL  34   6.883   2.403  -5.513
  265   HG22  VAL  34          HG22      VAL  34   7.200   4.140  -5.524
  266   HG23  VAL  34          HG23      VAL  34   7.306   3.227  -4.021
  267    H    LEU  35           HN       LEU  35   9.811   0.554  -6.171
  268    HA   LEU  35           HA       LEU  35  12.535   0.940  -5.771
  269    HB2  LEU  35           HB2      LEU  35  10.550  -1.141  -5.608
  270    HB3  LEU  35           HB1      LEU  35  12.151  -1.762  -5.978
  271    HG   LEU  35           HG       LEU  35  12.937  -1.293  -3.881
  272   HD11  LEU  35          HD11      LEU  35  10.975   1.001  -3.731
  273   HD12  LEU  35          HD12      LEU  35  12.723   1.121  -3.949
  274   HD13  LEU  35          HD13      LEU  35  12.066   0.523  -2.427
  275   HD21  LEU  35          HD21      LEU  35  11.218  -2.767  -3.417
  276   HD22  LEU  35          HD22      LEU  35   9.973  -1.558  -3.739
  277   HD23  LEU  35          HD23      LEU  35  10.950  -1.456  -2.266
  278    H    GLY  36           HN       GLY  36  10.793  -0.260  -8.591
  279    HA2  GLY  36           HA2      GLY  36  12.251   0.135 -10.659
  280    HA3  GLY  36           HA1      GLY  36  13.404  -0.866  -9.791
  281    H    TYR  37           HN       TYR  37  10.164  -1.717  -9.369
  282    HA   TYR  37           HA       TYR  37  10.765  -4.216 -10.780
  283    HB2  TYR  37           HB2      TYR  37   8.676  -3.717  -8.668
  284    HB3  TYR  37           HB1      TYR  37   9.274  -5.265  -9.228
  285    HD1  TYR  37           HD1      TYR  37   9.102  -4.252  -6.388
  286    HD2  TYR  37           HD2      TYR  37  12.262  -4.200  -9.216
  287    HE1  TYR  37           HE1      TYR  37  10.718  -4.266  -4.566
  288    HE2  TYR  37           HE2      TYR  37  13.907  -4.192  -7.404
  289    HH   TYR  37           HH       TYR  37  13.057  -4.839  -4.147
  290    H    ALA  38           HN       ALA  38   8.896  -5.379 -11.685
  291    HA   ALA  38           HA       ALA  38   6.833  -3.547 -12.718
  292    HB1  ALA  38           HB1      ALA  38   7.030  -4.519 -14.921
  293    HB2  ALA  38           HB2      ALA  38   8.285  -5.619 -14.351
  294    HB3  ALA  38           HB3      ALA  38   8.593  -3.883 -14.408
  295    H    SER  39           HN       SER  39   7.503  -6.371 -11.078
  296    HA   SER  39           HA       SER  39   4.764  -7.288 -11.404
  297    HB2  SER  39           HB2      SER  39   7.155  -9.049 -11.993
  298    HB3  SER  39           HB1      SER  39   5.503  -9.639 -11.806
  299    HG   SER  39           HG       SER  39   5.638  -7.581 -13.574
  300    H    THR  40           HN       THR  40   6.364  -6.045  -9.315
  301    HA   THR  40           HA       THR  40   7.099  -6.246  -7.167
  302    HB   THR  40           HB       THR  40   5.569  -7.490  -5.652
  303    HG1  THR  40           HG1      THR  40   4.923  -8.772  -7.945
  304   HG21  THR  40          HG21      THR  40   5.023  -5.218  -6.235
  305   HG22  THR  40          HG22      THR  40   3.535  -6.171  -6.227
  306   HG23  THR  40          HG23      THR  40   4.301  -5.744  -7.758
  307    H    GLU  41           HN       GLU  41   8.572  -7.765  -8.890
  308    HA   GLU  41           HA       GLU  41   8.705 -10.502  -8.418
  309    HB2  GLU  41           HB2      GLU  41  11.001 -10.310  -9.457
  310    HB3  GLU  41           HB1      GLU  41   9.666  -9.666 -10.398
  311    HG2  GLU  41           HG2      GLU  41  11.124  -7.779  -8.644
  312    HG3  GLU  41           HG1      GLU  41  11.954  -8.366 -10.084
  313    H    SER  42           HN       SER  42  10.507  -7.892  -6.800
  314    HA   SER  42           HA       SER  42  11.630  -9.969  -5.050
  315    HB2  SER  42           HB2      SER  42  12.994  -7.418  -5.929
  316    HB3  SER  42           HB1      SER  42  13.681  -8.647  -4.864
  317    HG   SER  42           HG       SER  42  12.929  -9.980  -6.946
  318    H    LEU  43           HN       LEU  43   9.214  -8.563  -4.573
  319    HA   LEU  43           HA       LEU  43   9.915  -6.877  -2.291
  320    HB2  LEU  43           HB2      LEU  43   7.349  -7.384  -3.765
  321    HB3  LEU  43           HB1      LEU  43   7.417  -6.477  -2.263
  322    HG   LEU  43           HG       LEU  43   8.993  -5.717  -4.713
  323   HD11  LEU  43          HD11      LEU  43   6.333  -4.687  -3.769
  324   HD12  LEU  43          HD12      LEU  43   6.635  -5.625  -5.231
  325   HD13  LEU  43          HD13      LEU  43   7.304  -3.999  -5.071
  326   HD21  LEU  43          HD21      LEU  43   8.284  -4.287  -2.166
  327   HD22  LEU  43          HD22      LEU  43   9.107  -3.555  -3.541
  328   HD23  LEU  43          HD23      LEU  43   9.880  -4.863  -2.644
  329    H    ASP  44           HN       ASP  44   8.264  -7.131  -0.441
  330    HA   ASP  44           HA       ASP  44   7.343  -9.853  -0.010
  331    HB2  ASP  44           HB2      ASP  44   9.757  -9.398   1.018
  332    HB3  ASP  44           HB1      ASP  44   8.822  -8.564   2.245
  333    H    THR  45           HN       THR  45   5.582  -9.904   1.361
  334    HA   THR  45           HA       THR  45   4.537  -7.288   2.159
  335    HB   THR  45           HB       THR  45   2.423  -8.633   2.609
  336    HG1  THR  45           HG1      THR  45   3.590 -10.563   0.890
  337   HG21  THR  45          HG21      THR  45   2.603  -7.227   0.674
  338   HG22  THR  45          HG22      THR  45   1.834  -8.743   0.208
  339   HG23  THR  45          HG23      THR  45   3.528  -8.457  -0.186
  340    H    HIS  46           HN       HIS  46   6.198  -9.916   3.367
  341    HA   HIS  46           HA       HIS  46   5.126  -9.594   6.084
  342    HB2  HIS  46           HB2      HIS  46   6.988 -11.700   4.960
  343    HB3  HIS  46           HB1      HIS  46   6.383 -11.656   6.606
  344    HD1  HIS  46           HD1      HIS  46   4.552 -13.275   6.941
  345    HD2  HIS  46           HD2      HIS  46   4.574 -11.725   3.091
  346    HE1  HIS  46           HE1      HIS  46   2.652 -14.411   5.745
  347    HE2  HIS  46           HE2      HIS  46   2.614 -13.372   3.453
  348    H    GLU  47           HN       GLU  47   7.420  -8.256   4.190
  349    HA   GLU  47           HA       GLU  47   9.233  -7.825   6.453
  350    HB2  GLU  47           HB2      GLU  47  11.042  -8.328   5.234
  351    HB3  GLU  47           HB1      GLU  47   9.925  -9.103   4.127
  352    HG2  GLU  47           HG2      GLU  47   9.811  -6.956   2.852
  353    HG3  GLU  47           HG1      GLU  47  11.088  -6.338   3.909
  354    H    SER  48           HN       SER  48  10.199  -5.720   6.524
  355    HA   SER  48           HA       SER  48   8.083  -3.825   5.991
  356    HB2  SER  48           HB2      SER  48  10.651  -3.158   7.402
  357    HB3  SER  48           HB1      SER  48   9.029  -2.522   7.665
  358    HG   SER  48           HG       SER  48   9.845  -5.177   8.253
  359    H    PHE  49           HN       PHE  49   8.302  -1.900   4.920
  360    HA   PHE  49           HA       PHE  49   9.666  -1.822   2.523
  361    HB2  PHE  49           HB2      PHE  49   8.687   0.510   4.147
  362    HB3  PHE  49           HB1      PHE  49   9.143   0.585   2.452
  363    HD1  PHE  49           HD1      PHE  49   7.732  -0.255   0.754
  364    HD2  PHE  49           HD2      PHE  49   6.659  -0.656   4.843
  365    HE1  PHE  49           HE1      PHE  49   5.464  -0.892   0.092
  366    HE2  PHE  49           HE2      PHE  49   4.377  -1.296   4.186
  367    HZ   PHE  49           HZ       PHE  49   3.736  -1.308   1.877
  368    H    LYS  50           HN       LYS  50  10.684  -0.716   5.636
  369    HA   LYS  50           HA       LYS  50  13.002   0.591   5.228
  370    HB2  LYS  50           HB2      LYS  50  12.031  -0.245   7.385
  371    HB3  LYS  50           HB1      LYS  50  12.691  -1.821   7.006
  372    HG2  LYS  50           HG2      LYS  50  14.082  -0.631   8.584
  373    HG3  LYS  50           HG1      LYS  50  14.936  -0.944   7.076
  374    HD2  LYS  50           HD2      LYS  50  15.407   1.304   7.873
  375    HD3  LYS  50           HD1      LYS  50  14.500   1.360   6.362
  376    HE2  LYS  50           HE2      LYS  50  12.462   1.847   7.549
  377    HE3  LYS  50           HE1      LYS  50  13.272   1.636   9.100
  378    HZ1  LYS  50           HZ1      LYS  50  14.625   3.552   8.645
  379    HZ2  LYS  50           HZ2      LYS  50  13.001   3.976   8.477
  380    HZ3  LYS  50           HZ3      LYS  50  13.955   3.726   7.105
  381    H    ASP  51           HN       ASP  51  12.639  -2.907   5.170
  382    HA   ASP  51           HA       ASP  51  15.267  -3.432   4.236
  383    HB2  ASP  51           HB2      ASP  51  13.780  -5.043   5.487
  384    HB3  ASP  51           HB1      ASP  51  12.905  -5.273   3.978
  385    H    LEU  52           HN       LEU  52  12.239  -2.799   2.678
  386    HA   LEU  52           HA       LEU  52  12.888  -3.767   0.093
  387    HB2  LEU  52           HB2      LEU  52  10.823  -1.898   1.178
  388    HB3  LEU  52           HB1      LEU  52  11.007  -2.089  -0.538
  389    HG   LEU  52           HG       LEU  52  10.465  -4.478  -0.353
  390   HD11  LEU  52          HD11      LEU  52   9.582  -5.326   1.781
  391   HD12  LEU  52          HD12      LEU  52  10.139  -3.847   2.563
  392   HD13  LEU  52          HD13      LEU  52  11.306  -4.957   1.839
  393   HD21  LEU  52          HD21      LEU  52   8.497  -2.647   0.991
  394   HD22  LEU  52          HD22      LEU  52   8.125  -4.254   0.368
  395   HD23  LEU  52          HD23      LEU  52   8.629  -2.971  -0.739
  396    H    GLY  53           HN       GLY  53  13.752  -1.033   1.891
  397    HA2  GLY  53           HA2      GLY  53  15.691   0.153   1.221
  398    HA3  GLY  53           HA1      GLY  53  15.198  -0.023  -0.450
  399    H    PHE  54           HN       PHE  54  12.596   0.816   1.606
  400    HA   PHE  54           HA       PHE  54  12.467   3.371   0.357
  401    HB2  PHE  54           HB2      PHE  54  10.719   2.046   2.434
  402    HB3  PHE  54           HB1      PHE  54  10.412   3.650   1.775
  403    HD1  PHE  54           HD1      PHE  54   9.633   3.951  -0.466
  404    HD2  PHE  54           HD2      PHE  54  10.573   0.091   1.027
  405    HE1  PHE  54           HE1      PHE  54   8.458   2.944  -2.364
  406    HE2  PHE  54           HE2      PHE  54   9.415  -0.938  -0.863
  407    HZ   PHE  54           HZ       PHE  54   8.478   0.539  -2.691
  408    H    ASP  55           HN       ASP  55  12.169   5.381   1.477
  409    HA   ASP  55           HA       ASP  55  13.390   5.811   4.029
  410    HB2  ASP  55           HB2      ASP  55  15.322   5.343   2.360
  411    HB3  ASP  55           HB1      ASP  55  14.901   6.902   1.655
  412    H    SER  56           HN       SER  56  14.162   8.538   3.539
  413    HA   SER  56           HA       SER  56  11.531   9.711   3.303
  414    HB2  SER  56           HB2      SER  56  14.213  11.062   3.686
  415    HB3  SER  56           HB1      SER  56  12.632  11.806   3.916
  416    HG   SER  56           HG       SER  56  13.467   9.500   5.339
  417    H    LEU  57           HN       LEU  57  12.360   8.469   0.990
  418    HA   LEU  57           HA       LEU  57  12.330  10.613  -0.969
  419    HB2  LEU  57           HB2      LEU  57  14.086   8.185  -1.118
  420    HB3  LEU  57           HB1      LEU  57  14.005   9.469  -2.305
  421    HG   LEU  57           HG       LEU  57  14.931   9.868   0.528
  422   HD11  LEU  57          HD11      LEU  57  16.578   9.404  -1.955
  423   HD12  LEU  57          HD12      LEU  57  16.409   8.293  -0.595
  424   HD13  LEU  57          HD13      LEU  57  17.208   9.850  -0.369
  425   HD21  LEU  57          HD21      LEU  57  14.144  11.879  -0.560
  426   HD22  LEU  57          HD22      LEU  57  15.167  11.556  -1.960
  427   HD23  LEU  57          HD23      LEU  57  15.900  11.932  -0.400
  428    H    THR  58           HN       THR  58  12.652   7.098  -0.933
  429    HA   THR  58           HA       THR  58  10.880   6.718  -3.098
  430    HB   THR  58           HB       THR  58  11.088   4.253  -2.257
  431    HG1  THR  58           HG1      THR  58  13.308   4.367  -1.047
  432   HG21  THR  58          HG21      THR  58  12.263   5.179  -4.203
  433   HG22  THR  58          HG22      THR  58  13.287   4.066  -3.296
  434   HG23  THR  58          HG23      THR  58  13.520   5.807  -3.139
  435    H    ALA  59           HN       ALA  59  10.551   6.282   0.396
  436    HA   ALA  59           HA       ALA  59   8.016   5.165   0.462
  437    HB1  ALA  59           HB1      ALA  59   9.508   5.488   2.437
  438    HB2  ALA  59           HB2      ALA  59   7.846   6.012   2.721
  439    HB3  ALA  59           HB3      ALA  59   9.109   7.206   2.410
  440    H    LEU  60           HN       LEU  60   9.089   8.430  -0.036
  441    HA   LEU  60           HA       LEU  60   6.626   9.730   0.328
  442    HB2  LEU  60           HB2      LEU  60   9.136  10.479  -1.153
  443    HB3  LEU  60           HB1      LEU  60   7.753  11.554  -1.048
  444    HG   LEU  60           HG       LEU  60   9.528  12.098   0.599
  445   HD11  LEU  60          HD11      LEU  60   8.087  12.298   2.527
  446   HD12  LEU  60          HD12      LEU  60   6.973  11.119   1.837
  447   HD13  LEU  60          HD13      LEU  60   7.202  12.682   1.051
  448   HD21  LEU  60          HD21      LEU  60   8.801   9.434   1.796
  449   HD22  LEU  60          HD22      LEU  60   9.824  10.657   2.552
  450   HD23  LEU  60          HD23      LEU  60  10.352   9.859   1.069
  451    H    GLU  61           HN       GLU  61   8.283   8.590  -2.620
  452    HA   GLU  61           HA       GLU  61   6.072   9.365  -4.267
  453    HB2  GLU  61           HB2      GLU  61   7.250   7.814  -5.967
  454    HB3  GLU  61           HB1      GLU  61   8.039   9.316  -5.489
  455    HG2  GLU  61           HG2      GLU  61   9.420   8.051  -3.903
  456    HG3  GLU  61           HG1      GLU  61   8.645   6.566  -4.443
  457    H    LEU  62           HN       LEU  62   6.995   6.436  -2.579
  458    HA   LEU  62           HA       LEU  62   5.031   4.739  -3.736
  459    HB2  LEU  62           HB2      LEU  62   6.792   3.802  -2.382
  460    HB3  LEU  62           HB1      LEU  62   6.263   4.728  -0.994
  461    HG   LEU  62           HG       LEU  62   4.160   3.482  -0.937
  462   HD11  LEU  62          HD11      LEU  62   3.886   3.003  -3.259
  463   HD12  LEU  62          HD12      LEU  62   3.921   1.486  -2.356
  464   HD13  LEU  62          HD13      LEU  62   5.338   2.004  -3.267
  465   HD21  LEU  62          HD21      LEU  62   5.042   1.440  -0.109
  466   HD22  LEU  62          HD22      LEU  62   6.195   2.725   0.266
  467   HD23  LEU  62          HD23      LEU  62   6.507   1.620  -1.073
  468    H    ARG  63           HN       ARG  63   5.057   6.710  -0.816
  469    HA   ARG  63           HA       ARG  63   2.467   6.305   0.090
  470    HB2  ARG  63           HB2      ARG  63   3.925   7.546   1.466
  471    HB3  ARG  63           HB1      ARG  63   4.406   8.610   0.152
  472    HG2  ARG  63           HG2      ARG  63   1.905   9.355   0.219
  473    HG3  ARG  63           HG1      ARG  63   1.972   8.702   1.859
  474    HD2  ARG  63           HD2      ARG  63   2.485  11.076   1.874
  475    HD3  ARG  63           HD1      ARG  63   3.896  10.132   2.338
  476    HE   ARG  63           HE       ARG  63   4.446  10.445  -0.203
  477   HH11  ARG  63          HH11      ARG  63   3.131  12.789   2.039
  478   HH12  ARG  63          HH12      ARG  63   3.757  14.157   1.177
  479   HH21  ARG  63          HH21      ARG  63   5.255  12.265  -1.361
  480   HH22  ARG  63          HH22      ARG  63   4.953  13.861  -0.752
  481    H    ASP  64           HN       ASP  64   3.841   8.610  -2.169
  482    HA   ASP  64           HA       ASP  64   1.594   9.968  -3.005
  483    HB2  ASP  64           HB2      ASP  64   4.099  10.316  -3.526
  484    HB3  ASP  64           HB1      ASP  64   3.819   9.205  -4.856
  485    H    HIS  65           HN       HIS  65   2.999   6.941  -4.158
  486    HA   HIS  65           HA       HIS  65   1.259   6.454  -6.296
  487    HB2  HIS  65           HB2      HIS  65   2.814   4.597  -4.537
  488    HB3  HIS  65           HB1      HIS  65   1.912   4.054  -5.932
  489    HD1  HIS  65           HD1      HIS  65   2.939   6.714  -7.623
  490    HD2  HIS  65           HD2      HIS  65   5.156   3.813  -5.681
  491    HE1  HIS  65           HE1      HIS  65   5.226   6.753  -8.692
  492    HE2  HIS  65           HE2      HIS  65   6.457   4.844  -7.656
  493    H    LEU  66           HN       LEU  66   1.052   5.494  -2.858
  494    HA   LEU  66           HA       LEU  66  -1.149   3.759  -3.220
  495    HB2  LEU  66           HB2      LEU  66   0.068   5.162  -0.894
  496    HB3  LEU  66           HB1      LEU  66  -1.465   4.348  -0.690
  497    HG   LEU  66           HG       LEU  66  -0.537   2.234  -0.926
  498   HD11  LEU  66          HD11      LEU  66   1.869   3.489  -2.235
  499   HD12  LEU  66          HD12      LEU  66   0.590   2.593  -3.055
  500   HD13  LEU  66          HD13      LEU  66   1.648   1.770  -1.910
  501   HD21  LEU  66          HD21      LEU  66   1.615   3.968   0.251
  502   HD22  LEU  66          HD22      LEU  66   1.514   2.215   0.437
  503   HD23  LEU  66          HD23      LEU  66   0.249   3.250   1.104
  504    H    GLN  67           HN       GLN  67  -0.927   7.162  -2.416
  505    HA   GLN  67           HA       GLN  67  -3.718   7.521  -1.897
  506    HB2  GLN  67           HB2      GLN  67  -1.894   9.705  -2.825
  507    HB3  GLN  67           HB1      GLN  67  -3.239   9.804  -1.698
  508    HG2  GLN  67           HG2      GLN  67  -2.026   8.900   0.029
  509    HG3  GLN  67           HG1      GLN  67  -0.885   8.128  -1.074
  510   HE21  GLN  67          HE21      GLN  67  -0.377  10.385  -2.685
  511   HE22  GLN  67          HE22      GLN  67   0.567  11.484  -1.758
  512    H    THR  68           HN       THR  68  -1.643   7.770  -4.699
  513    HA   THR  68           HA       THR  68  -3.558   8.802  -6.474
  514    HB   THR  68           HB       THR  68  -0.904   7.480  -6.584
  515    HG1  THR  68           HG1      THR  68  -0.900   9.679  -6.341
  516   HG21  THR  68          HG21      THR  68  -2.083   6.397  -8.416
  517   HG22  THR  68          HG22      THR  68  -0.863   7.512  -9.024
  518   HG23  THR  68          HG23      THR  68  -2.568   7.968  -9.054
  519    H    ALA  69           HN       ALA  69  -2.326   5.623  -5.786
  520    HA   ALA  69           HA       ALA  69  -3.902   4.071  -7.429
  521    HB1  ALA  69           HB1      ALA  69  -1.947   3.259  -6.289
  522    HB2  ALA  69           HB2      ALA  69  -3.341   2.248  -5.898
  523    HB3  ALA  69           HB3      ALA  69  -2.755   3.439  -4.735
  524    H    THR  70           HN       THR  70  -4.492   4.970  -4.029
  525    HA   THR  70           HA       THR  70  -7.009   3.510  -4.074
  526    HB   THR  70           HB       THR  70  -7.128   4.005  -1.679
  527    HG1  THR  70           HG1      THR  70  -4.618   5.306  -1.832
  528   HG21  THR  70          HG21      THR  70  -5.720   2.130  -2.478
  529   HG22  THR  70          HG22      THR  70  -5.141   2.828  -0.965
  530   HG23  THR  70          HG23      THR  70  -4.330   3.219  -2.481
  531    H    GLY  71           HN       GLY  71  -5.826   6.773  -3.968
  532    HA2  GLY  71           HA2      GLY  71  -6.979   8.715  -4.565
  533    HA3  GLY  71           HA1      GLY  71  -8.487   7.810  -4.523
  534    H    LEU  72           HN       LEU  72  -6.517   7.269  -1.864
  535    HA   LEU  72           HA       LEU  72  -8.260   8.885  -0.149
  536    HB2  LEU  72           HB2      LEU  72  -6.545   6.450   0.266
  537    HB3  LEU  72           HB1      LEU  72  -7.086   7.396   1.631
  538    HG   LEU  72           HG       LEU  72  -8.466   5.388   1.220
  539   HD11  LEU  72          HD11      LEU  72 -10.656   6.502   1.325
  540   HD12  LEU  72          HD12      LEU  72  -9.876   8.024   0.888
  541   HD13  LEU  72          HD13      LEU  72  -9.460   7.217   2.400
  542   HD21  LEU  72          HD21      LEU  72  -8.318   5.345  -1.224
  543   HD22  LEU  72          HD22      LEU  72  -9.336   6.779  -1.298
  544   HD23  LEU  72          HD23      LEU  72  -9.982   5.271  -0.649
  545    H    ASN  73           HN       ASN  73  -6.614   9.035   2.086
  546    HA   ASN  73           HA       ASN  73  -4.399  10.725   1.134
  547    HB2  ASN  73           HB2      ASN  73  -6.475  11.996   1.940
  548    HB3  ASN  73           HB1      ASN  73  -6.084  11.398   3.547
  549   HD21  ASN  73          HD21      ASN  73  -3.171  11.607   3.109
  550   HD22  ASN  73          HD22      ASN  73  -2.809  13.295   3.160
  551    H    LEU  74           HN       LEU  74  -2.760   9.390   1.627
  552    HA   LEU  74           HA       LEU  74  -2.717   8.040   4.184
  553    HB2  LEU  74           HB2      LEU  74  -0.983   7.830   1.735
  554    HB3  LEU  74           HB1      LEU  74  -0.646   6.965   3.232
  555    HG   LEU  74           HG       LEU  74  -3.095   6.082   2.927
  556   HD11  LEU  74          HD11      LEU  74  -3.612   7.532   0.992
  557   HD12  LEU  74          HD12      LEU  74  -3.788   5.816   0.628
  558   HD13  LEU  74          HD13      LEU  74  -2.363   6.699   0.065
  559   HD21  LEU  74          HD21      LEU  74  -2.153   4.254   1.473
  560   HD22  LEU  74          HD22      LEU  74  -1.291   4.595   2.971
  561   HD23  LEU  74          HD23      LEU  74  -0.657   5.185   1.433
  562    H    SER  75           HN       SER  75   0.319   8.028   4.269
  563    HA   SER  75           HA       SER  75   0.560  10.741   5.384
  564    HB2  SER  75           HB2      SER  75  -0.196   9.170   7.157
  565    HB3  SER  75           HB1      SER  75   1.260   8.211   6.893
  566    HG   SER  75           HG       SER  75   0.974  10.759   8.038
  567    H    SER  76           HN       SER  76   2.851  11.248   6.085
  568    HA   SER  76           HA       SER  76   4.582  10.813   3.889
  569    HB2  SER  76           HB2      SER  76   4.552  12.851   5.353
  570    HB3  SER  76           HB1      SER  76   5.326  11.894   6.612
  571    HG   SER  76           HG       SER  76   6.382  12.989   4.321
  572    H    THR  77           HN       THR  77   4.562   9.550   7.192
  573    HA   THR  77           HA       THR  77   6.801   7.760   6.532
  574    HB   THR  77           HB       THR  77   6.781   7.357   9.062
  575    HG1  THR  77           HG1      THR  77   5.420   8.492  10.243
  576   HG21  THR  77          HG21      THR  77   8.031   9.421   9.504
  577   HG22  THR  77          HG22      THR  77   7.383  10.126   8.023
  578   HG23  THR  77          HG23      THR  77   8.459   8.731   7.939
  579    H    LEU  78           HN       LEU  78   4.229   7.480   5.565
  580    HA   LEU  78           HA       LEU  78   2.346   5.931   6.770
  581    HB2  LEU  78           HB2      LEU  78   2.274   7.058   4.578
  582    HB3  LEU  78           HB1      LEU  78   3.339   5.843   3.933
  583    HG   LEU  78           HG       LEU  78   0.737   5.820   3.531
  584   HD11  LEU  78          HD11      LEU  78   2.512   3.442   3.930
  585   HD12  LEU  78          HD12      LEU  78   2.169   4.320   2.428
  586   HD13  LEU  78          HD13      LEU  78   0.905   3.359   3.205
  587   HD21  LEU  78          HD21      LEU  78  -0.292   4.119   5.041
  588   HD22  LEU  78          HD22      LEU  78  -0.008   5.699   5.764
  589   HD23  LEU  78          HD23      LEU  78   1.077   4.354   6.130
  590    H    ILE  79           HN       ILE  79   4.889   4.633   4.657
  591    HA   ILE  79           HA       ILE  79   4.320   1.925   5.416
  592    HB   ILE  79           HB       ILE  79   6.138   1.341   3.923
  593   HG12  ILE  79          HG12      ILE  79   6.731   4.284   4.015
  594   HG13  ILE  79          HG11      ILE  79   7.814   2.949   4.392
  595   HG21  ILE  79          HG21      ILE  79   4.439   3.584   2.862
  596   HG22  ILE  79          HG22      ILE  79   4.038   1.862   2.873
  597   HG23  ILE  79          HG23      ILE  79   5.372   2.454   1.881
  598   HD11  ILE  79          HD11      ILE  79   8.472   3.778   2.301
  599   HD12  ILE  79          HD12      ILE  79   6.807   3.850   1.726
  600   HD13  ILE  79          HD13      ILE  79   7.593   2.283   1.968
  601    H    PHE  80           HN       PHE  80   5.745   4.107   7.243
  602    HA   PHE  80           HA       PHE  80   7.737   2.218   8.281
  603    HB2  PHE  80           HB2      PHE  80   7.592   5.221   8.391
  604    HB3  PHE  80           HB1      PHE  80   8.706   4.275   9.359
  605    HD1  PHE  80           HD1      PHE  80   9.072   6.372   6.968
  606    HD2  PHE  80           HD2      PHE  80   9.344   2.143   7.325
  607    HE1  PHE  80           HE1      PHE  80  10.555   6.302   5.011
  608    HE2  PHE  80           HE2      PHE  80  10.826   2.046   5.366
  609    HZ   PHE  80           HZ       PHE  80  11.445   4.143   4.211
  610    H    ASP  81           HN       ASP  81   4.926   3.995   8.811
  611    HA   ASP  81           HA       ASP  81   4.807   3.501  11.647
  612    HB2  ASP  81           HB2      ASP  81   3.701   5.446  10.477
  613    HB3  ASP  81           HB1      ASP  81   2.639   4.297   9.727
  614    H    HIS  82           HN       HIS  82   3.633   2.333   8.634
  615    HA   HIS  82           HA       HIS  82   2.613  -0.119   9.866
  616    HB2  HIS  82           HB2      HIS  82   1.841   0.955   7.147
  617    HB3  HIS  82           HB1      HIS  82   1.010  -0.254   8.111
  618    HD1  HIS  82           HD1      HIS  82  -0.504   0.583  10.043
  619    HD2  HIS  82           HD2      HIS  82   1.393   3.621   7.931
  620    HE1  HIS  82           HE1      HIS  82  -1.550   2.727  10.833
  621    HE2  HIS  82           HE2      HIS  82  -0.236   4.536   9.703
  622    HA   PRO  83           HA       PRO  83   6.629  -0.950   8.397
  623    HB2  PRO  83           HB2      PRO  83   6.727  -3.614   9.050
  624    HB3  PRO  83           HB1      PRO  83   6.921  -2.298  10.213
  625    HG2  PRO  83           HG2      PRO  83   4.475  -3.912   9.568
  626    HG3  PRO  83           HG1      PRO  83   5.105  -3.417  11.154
  627    HD2  PRO  83           HD2      PRO  83   3.071  -2.109   9.992
  628    HD3  PRO  83           HD1      PRO  83   4.299  -1.249  10.928
  629    H    THR  84           HN       THR  84   4.067  -3.181   7.365
  630    HA   THR  84           HA       THR  84   5.749  -3.843   5.065
  631    HB   THR  84           HB       THR  84   4.668  -6.042   5.051
  632    HG1  THR  84           HG1      THR  84   3.654  -6.222   7.464
  633   HG21  THR  84          HG21      THR  84   6.786  -5.730   6.276
  634   HG22  THR  84          HG22      THR  84   5.773  -6.968   7.019
  635   HG23  THR  84          HG23      THR  84   5.875  -5.359   7.740
  636    HA   PRO  85           HA       PRO  85   2.463  -2.649   2.328
  637    HB2  PRO  85           HB2      PRO  85   2.819  -5.282   1.015
  638    HB3  PRO  85           HB1      PRO  85   2.930  -3.667   0.319
  639    HG2  PRO  85           HG2      PRO  85   5.107  -5.173   0.755
  640    HG3  PRO  85           HG1      PRO  85   5.131  -3.408   0.920
  641    HD2  PRO  85           HD2      PRO  85   5.093  -5.501   3.029
  642    HD3  PRO  85           HD1      PRO  85   5.865  -3.910   3.032
  643    H    HIS  86           HN       HIS  86   2.607  -5.517   4.101
  644    HA   HIS  86           HA       HIS  86  -0.109  -6.387   3.745
  645    HB2  HIS  86           HB2      HIS  86   1.212  -8.106   4.534
  646    HB3  HIS  86           HB1      HIS  86   2.202  -7.045   5.502
  647    HD1  HIS  86           HD1      HIS  86  -0.527  -9.449   5.743
  648    HD2  HIS  86           HD2      HIS  86   0.939  -6.292   8.016
  649    HE1  HIS  86           HE1      HIS  86  -1.465  -9.789   8.052
  650    HE2  HIS  86           HE2      HIS  86  -0.740  -7.750   9.338
  651    H    ALA  87           HN       ALA  87   1.710  -4.561   6.153
  652    HA   ALA  87           HA       ALA  87  -0.512  -4.050   7.871
  653    HB1  ALA  87           HB1      ALA  87   1.005  -2.605   9.085
  654    HB2  ALA  87           HB2      ALA  87   2.133  -2.609   7.730
  655    HB3  ALA  87           HB3      ALA  87   1.848  -4.091   8.645
  656    H    VAL  88           HN       VAL  88   0.840  -2.643   5.121
  657    HA   VAL  88           HA       VAL  88  -0.340  -0.035   5.513
  658    HB   VAL  88           HB       VAL  88   1.186  -1.279   3.249
  659   HG11  VAL  88          HG11      VAL  88   1.255   0.979   2.262
  660   HG12  VAL  88          HG12      VAL  88   0.097   1.509   3.483
  661   HG13  VAL  88          HG13      VAL  88  -0.363   0.279   2.305
  662   HG21  VAL  88          HG21      VAL  88   1.924   0.842   5.259
  663   HG22  VAL  88          HG22      VAL  88   2.928   0.340   3.898
  664   HG23  VAL  88          HG23      VAL  88   2.547  -0.811   5.180
  665    H    ALA  89           HN       ALA  89  -0.799  -2.836   3.403
  666    HA   ALA  89           HA       ALA  89  -2.913  -1.753   1.919
  667    HB1  ALA  89           HB1      ALA  89  -2.389  -4.639   2.604
  668    HB2  ALA  89           HB2      ALA  89  -1.774  -3.756   1.205
  669    HB3  ALA  89           HB3      ALA  89  -3.504  -4.060   1.361
  670    H    GLU  90           HN       GLU  90  -2.918  -3.567   5.021
  671    HA   GLU  90           HA       GLU  90  -5.785  -3.526   5.143
  672    HB2  GLU  90           HB2      GLU  90  -5.415  -4.151   7.553
  673    HB3  GLU  90           HB1      GLU  90  -4.692  -5.238   6.375
  674    HG2  GLU  90           HG2      GLU  90  -2.533  -4.225   6.727
  675    HG3  GLU  90           HG1      GLU  90  -3.229  -3.085   7.873
  676    H    HIS  91           HN       HIS  91  -3.215  -1.413   6.029
  677    HA   HIS  91           HA       HIS  91  -4.686   0.406   7.581
  678    HB2  HIS  91           HB2      HIS  91  -2.334   0.582   7.704
  679    HB3  HIS  91           HB1      HIS  91  -2.166   0.648   5.950
  680    HD1  HIS  91           HD1      HIS  91  -3.371   2.779   8.854
  681    HD2  HIS  91           HD2      HIS  91  -2.199   3.129   4.881
  682    HE1  HIS  91           HE1      HIS  91  -3.242   5.249   8.408
  683    HE2  HIS  91           HE2      HIS  91  -2.515   5.453   6.006
  684    H    LEU  92           HN       LEU  92  -4.510  -0.207   4.187
  685    HA   LEU  92           HA       LEU  92  -5.641   2.288   3.403
  686    HB2  LEU  92           HB2      LEU  92  -4.912  -0.254   2.043
  687    HB3  LEU  92           HB1      LEU  92  -6.126   0.760   1.269
  688    HG   LEU  92           HG       LEU  92  -4.635   2.494   0.883
  689   HD11  LEU  92          HD11      LEU  92  -3.720   2.955   2.989
  690   HD12  LEU  92          HD12      LEU  92  -2.334   2.507   1.992
  691   HD13  LEU  92          HD13      LEU  92  -3.013   1.345   3.127
  692   HD21  LEU  92          HD21      LEU  92  -2.646   1.532  -0.111
  693   HD22  LEU  92          HD22      LEU  92  -4.062   0.542  -0.461
  694   HD23  LEU  92          HD23      LEU  92  -2.914   0.032   0.776
  695    H    LEU  93           HN       LEU  93  -6.850  -0.531   4.762
  696    HA   LEU  93           HA       LEU  93  -9.547  -0.373   3.755
  697    HB2  LEU  93           HB2      LEU  93  -8.323  -1.832   6.071
  698    HB3  LEU  93           HB1      LEU  93 -10.047  -1.839   5.779
  699    HG   LEU  93           HG       LEU  93  -9.850  -3.185   3.885
  700   HD11  LEU  93          HD11      LEU  93  -7.714  -3.666   2.760
  701   HD12  LEU  93          HD12      LEU  93  -6.909  -2.509   3.832
  702   HD13  LEU  93          HD13      LEU  93  -8.140  -1.954   2.693
  703   HD21  LEU  93          HD21      LEU  93  -9.343  -4.361   5.961
  704   HD22  LEU  93          HD22      LEU  93  -7.626  -4.019   5.733
  705   HD23  LEU  93          HD23      LEU  93  -8.480  -5.062   4.593
  706    H    GLU  94           HN       GLU  94  -7.665   0.812   6.326
  707    HA   GLU  94           HA       GLU  94  -9.605   1.779   8.090
  708    HB2  GLU  94           HB2      GLU  94  -6.818   2.691   7.408
  709    HB3  GLU  94           HB1      GLU  94  -7.723   3.301   8.799
  710    HG2  GLU  94           HG2      GLU  94  -6.866   0.454   8.309
  711    HG3  GLU  94           HG1      GLU  94  -6.129   1.584   9.441
  712    H    GLN  95           HN       GLN  95  -8.348   2.965   5.069
  713    HA   GLN  95           HA       GLN  95  -9.320   5.653   5.394
  714    HB2  GLN  95           HB2      GLN  95  -8.424   4.358   2.835
  715    HB3  GLN  95           HB1      GLN  95  -8.251   6.036   3.335
  716    HG2  GLN  95           HG2      GLN  95  -6.834   3.766   4.685
  717    HG3  GLN  95           HG1      GLN  95  -6.152   4.658   3.337
  718   HE21  GLN  95          HE21      GLN  95  -5.328   4.354   6.114
  719   HE22  GLN  95          HE22      GLN  95  -5.186   5.954   6.755
  720    H    ILE  96           HN       ILE  96 -10.455   2.649   4.279
  721    HA   ILE  96           HA       ILE  96 -12.095   3.434   2.141
  722    HB   ILE  96           HB       ILE  96 -12.122   0.972   3.857
  723   HG12  ILE  96          HG12      ILE  96  -9.987   1.554   2.809
  724   HG13  ILE  96          HG11      ILE  96 -10.647   0.066   2.176
  725   HG21  ILE  96          HG21      ILE  96 -13.127   1.198   1.050
  726   HG22  ILE  96          HG22      ILE  96 -14.176   1.312   2.460
  727   HG23  ILE  96          HG23      ILE  96 -13.272  -0.170   2.153
  728   HD11  ILE  96          HD11      ILE  96 -10.847   2.752   0.835
  729   HD12  ILE  96          HD12      ILE  96 -11.358   1.203   0.166
  730   HD13  ILE  96          HD13      ILE  96  -9.644   1.519   0.454
  731    HA   PRO  97           HA       PRO  97 -15.440   5.280   4.134
  732    HB2  PRO  97           HB2      PRO  97 -17.219   5.276   2.149
  733    HB3  PRO  97           HB1      PRO  97 -15.693   6.160   2.012
  734    HG2  PRO  97           HG2      PRO  97 -16.360   3.420   0.997
  735    HG3  PRO  97           HG1      PRO  97 -15.633   4.772   0.121
  736    HD2  PRO  97           HD2      PRO  97 -14.150   2.794   1.161
  737    HD3  PRO  97           HD1      PRO  97 -13.586   4.460   1.109
  738    H    GLY  98           HN       GLY  98 -15.893   3.576   5.751
  739    HA2  GLY  98           HA2      GLY  98 -17.793   2.780   6.873
  740    HA3  GLY  98           HA1      GLY  98 -18.644   2.769   5.341
  741    H    ILE  99           HN       ILE  99 -17.823   1.153   3.753
  742    HA   ILE  99           HA       ILE  99 -18.266  -1.427   4.439
  743    HB   ILE  99           HB       ILE  99 -16.399  -1.819   2.518
  744   HG12  ILE  99          HG12      ILE  99 -17.523   0.901   1.881
  745   HG13  ILE  99          HG11      ILE  99 -15.987   0.727   2.712
  746   HG21  ILE  99          HG21      ILE  99 -18.717  -2.503   2.370
  747   HG22  ILE  99          HG22      ILE  99 -18.258  -1.633   0.905
  748   HG23  ILE  99          HG23      ILE  99 -19.223  -0.829   2.143
  749   HD11  ILE  99          HD11      ILE  99 -15.601   1.075   0.388
  750   HD12  ILE  99          HD12      ILE  99 -16.672  -0.273  -0.036
  751   HD13  ILE  99          HD13      ILE  99 -15.149  -0.585   0.809
  752    H    GLY 100           HN       GLY 100 -14.987  -0.439   3.764
  753    HA2  GLY 100           HA2      GLY 100 -13.004  -1.308   4.469
  754    HA3  GLY 100           HA1      GLY 100 -13.686  -0.904   6.037
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  -8.546  14.590   0.944
    2    H2   GLY   1           HT2      GLY   1  -8.712  15.467  -0.492
    3    H3   GLY   1           HT3      GLY   1  -8.502  13.791  -0.546
    4    HA2  GLY   1           HA1      GLY   1 -10.628  13.458   0.547
    5    HA3  GLY   1           HA2      GLY   1 -10.844  15.200   0.601
    6    H    SER   2           HN       SER   2  -9.840  12.863  -1.911
    7    HA   SER   2           HA       SER   2 -12.190  13.524  -3.469
    8    HB2  SER   2           HB2      SER   2 -10.849  14.102  -5.493
    9    HB3  SER   2           HB1      SER   2 -10.680  15.285  -4.198
   10    HG   SER   2           HG       SER   2  -8.730  13.969  -3.624
   11    H    THR   3           HN       THR   3 -11.957  12.230  -5.682
   12    HA   THR   3           HA       THR   3 -11.913  10.187  -6.666
   13    HB   THR   3           HB       THR   3  -9.333   9.714  -5.158
   14    HG1  THR   3           HG1      THR   3  -9.713  11.152  -7.598
   15   HG21  THR   3          HG21      THR   3 -10.290   8.832  -7.888
   16   HG22  THR   3          HG22      THR   3 -10.141   7.809  -6.457
   17   HG23  THR   3          HG23      THR   3  -8.699   8.500  -7.203
   18    H    ALA   4           HN       ALA   4 -10.137   8.290  -4.575
   19    HA   ALA   4           HA       ALA   4 -10.549   6.654  -3.090
   20    HB1  ALA   4           HB1      ALA   4 -12.292   6.910  -1.425
   21    HB2  ALA   4           HB2      ALA   4 -13.048   8.186  -2.378
   22    HB3  ALA   4           HB3      ALA   4 -11.454   8.442  -1.670
   23    H    THR   5           HN       THR   5 -13.724   7.505  -4.506
   24    HA   THR   5           HA       THR   5 -14.915   5.055  -4.599
   25    HB   THR   5           HB       THR   5 -15.041   6.999  -6.899
   26    HG1  THR   5           HG1      THR   5 -16.753   7.135  -4.657
   27   HG21  THR   5          HG21      THR   5 -16.253   4.894  -7.231
   28   HG22  THR   5          HG22      THR   5 -17.372   6.244  -7.042
   29   HG23  THR   5          HG23      THR   5 -17.095   5.133  -5.701
   30    H    LEU   6           HN       LEU   6 -12.285   6.154  -6.532
   31    HA   LEU   6           HA       LEU   6 -12.204   4.362  -8.615
   32    HB2  LEU   6           HB2      LEU   6 -10.616   6.099  -8.566
   33    HB3  LEU   6           HB1      LEU   6 -10.089   5.674  -6.950
   34    HG   LEU   6           HG       LEU   6  -8.991   3.655  -7.835
   35   HD11  LEU   6          HD11      LEU   6 -10.436   3.276  -9.770
   36   HD12  LEU   6          HD12      LEU   6  -8.738   3.357 -10.240
   37   HD13  LEU   6          HD13      LEU   6  -9.801   4.733 -10.534
   38   HD21  LEU   6          HD21      LEU   6  -7.156   4.798  -8.925
   39   HD22  LEU   6          HD22      LEU   6  -7.781   5.782  -7.598
   40   HD23  LEU   6          HD23      LEU   6  -8.190   6.184  -9.266
   41    H    LEU   7           HN       LEU   7 -10.426   3.959  -5.550
   42    HA   LEU   7           HA       LEU   7 -10.064   1.155  -6.110
   43    HB2  LEU   7           HB2      LEU   7  -8.730   3.082  -4.587
   44    HB3  LEU   7           HB1      LEU   7  -9.391   1.949  -3.420
   45    HG   LEU   7           HG       LEU   7  -7.077   1.386  -4.136
   46   HD11  LEU   7          HD11      LEU   7  -9.148  -0.660  -4.922
   47   HD12  LEU   7          HD12      LEU   7  -8.734  -0.249  -3.259
   48   HD13  LEU   7          HD13      LEU   7  -7.514  -0.968  -4.318
   49   HD21  LEU   7          HD21      LEU   7  -7.464   2.117  -6.528
   50   HD22  LEU   7          HD22      LEU   7  -8.339   0.602  -6.756
   51   HD23  LEU   7          HD23      LEU   7  -6.630   0.575  -6.320
   52    H    THR   8           HN       THR   8 -12.069   3.153  -4.148
   53    HA   THR   8           HA       THR   8 -12.984   1.353  -2.233
   54    HB   THR   8           HB       THR   8 -14.237   3.731  -3.543
   55    HG1  THR   8           HG1      THR   8 -12.528   4.207  -2.191
   56   HG21  THR   8          HG21      THR   8 -15.958   3.752  -1.814
   57   HG22  THR   8          HG22      THR   8 -15.336   2.237  -1.168
   58   HG23  THR   8          HG23      THR   8 -16.067   2.275  -2.770
   59    H    SER   9           HN       SER   9 -13.858   1.757  -5.578
   60    HA   SER   9           HA       SER   9 -16.197   0.229  -5.723
   61    HB2  SER   9           HB2      SER   9 -15.708   0.091  -8.081
   62    HB3  SER   9           HB1      SER   9 -15.140   1.654  -7.506
   63    HG   SER   9           HG       SER   9 -13.176   1.142  -7.999
   64    H    LYS  10           HN       LYS  10 -12.828  -0.606  -5.953
   65    HA   LYS  10           HA       LYS  10 -12.984  -3.357  -6.329
   66    HB2  LYS  10           HB2      LYS  10 -10.899  -1.879  -6.395
   67    HB3  LYS  10           HB1      LYS  10 -10.899  -1.986  -4.635
   68    HG2  LYS  10           HG2      LYS  10  -9.393  -3.614  -5.284
   69    HG3  LYS  10           HG1      LYS  10 -10.876  -4.512  -4.974
   70    HD2  LYS  10           HD2      LYS  10 -10.035  -3.588  -7.711
   71    HD3  LYS  10           HD1      LYS  10  -9.619  -5.172  -7.057
   72    HE2  LYS  10           HE2      LYS  10 -12.185  -5.396  -6.680
   73    HE3  LYS  10           HE1      LYS  10 -12.290  -4.079  -7.846
   74    HZ1  LYS  10           HZ1      LYS  10 -12.470  -6.173  -8.970
   75    HZ2  LYS  10           HZ2      LYS  10 -11.013  -6.712  -8.306
   76    HZ3  LYS  10           HZ3      LYS  10 -11.015  -5.433  -9.412
   77    H    LEU  11           HN       LEU  11 -12.454  -1.631  -3.272
   78    HA   LEU  11           HA       LEU  11 -12.453  -3.940  -1.683
   79    HB2  LEU  11           HB2      LEU  11 -13.162  -1.140  -0.834
   80    HB3  LEU  11           HB1      LEU  11 -12.777  -2.458   0.245
   81    HG   LEU  11           HG       LEU  11 -10.762  -1.399   0.219
   82   HD11  LEU  11          HD11      LEU  11 -10.526  -3.030  -2.298
   83   HD12  LEU  11          HD12      LEU  11 -10.485  -3.690  -0.658
   84   HD13  LEU  11          HD13      LEU  11  -9.220  -2.579  -1.195
   85   HD21  LEU  11          HD21      LEU  11 -11.607   0.324  -1.423
   86   HD22  LEU  11          HD22      LEU  11 -10.991  -0.728  -2.703
   87   HD23  LEU  11          HD23      LEU  11  -9.886  -0.050  -1.504
   88    H    ALA  12           HN       ALA  12 -15.048  -2.042  -2.909
   89    HA   ALA  12           HA       ALA  12 -17.142  -2.810  -1.243
   90    HB1  ALA  12           HB1      ALA  12 -17.362  -1.102  -2.961
   91    HB2  ALA  12           HB2      ALA  12 -18.587  -2.352  -3.180
   92    HB3  ALA  12           HB3      ALA  12 -17.160  -2.320  -4.221
   93    H    GLY  13           HN       GLY  13 -15.494  -4.540  -3.793
   94    HA2  GLY  13           HA2      GLY  13 -17.440  -6.695  -3.826
   95    HA3  GLY  13           HA1      GLY  13 -15.987  -6.577  -4.807
   96    H    LEU  14           HN       LEU  14 -14.758  -5.905  -1.939
   97    HA   LEU  14           HA       LEU  14 -14.107  -8.703  -1.402
   98    HB2  LEU  14           HB2      LEU  14 -12.706  -6.165  -0.703
   99    HB3  LEU  14           HB1      LEU  14 -12.235  -7.695  -0.066
  100    HG   LEU  14           HG       LEU  14 -10.773  -7.647  -1.740
  101   HD11  LEU  14          HD11      LEU  14 -11.533  -8.786  -3.736
  102   HD12  LEU  14          HD12      LEU  14 -13.210  -8.432  -3.309
  103   HD13  LEU  14          HD13      LEU  14 -12.243  -9.498  -2.281
  104   HD21  LEU  14          HD21      LEU  14 -11.236  -5.390  -2.309
  105   HD22  LEU  14          HD22      LEU  14 -12.686  -5.861  -3.196
  106   HD23  LEU  14          HD23      LEU  14 -11.096  -6.331  -3.796
  107    H    THR  15           HN       THR  15 -13.603  -9.220   0.769
  108    HA   THR  15           HA       THR  15 -15.214  -7.860   2.798
  109    HB   THR  15           HB       THR  15 -14.760  -9.807   4.179
  110    HG1  THR  15           HG1      THR  15 -13.420 -11.382   2.451
  111   HG21  THR  15          HG21      THR  15 -15.341 -10.614   1.328
  112   HG22  THR  15          HG22      THR  15 -16.528 -10.084   2.525
  113   HG23  THR  15          HG23      THR  15 -15.668 -11.609   2.750
  114    H    ALA  16           HN       ALA  16 -13.933  -7.457   4.910
  115    HA   ALA  16           HA       ALA  16 -11.913  -5.659   4.509
  116    HB1  ALA  16           HB1      ALA  16 -11.327  -5.908   6.847
  117    HB2  ALA  16           HB2      ALA  16 -12.125  -7.479   6.911
  118    HB3  ALA  16           HB3      ALA  16 -13.077  -6.018   6.660
  119    H    THR  17           HN       THR  17 -11.512  -9.131   5.095
  120    HA   THR  17           HA       THR  17  -8.718  -9.186   5.150
  121    HB   THR  17           HB       THR  17 -10.617 -11.368   4.275
  122    HG1  THR  17           HG1      THR  17 -11.180 -11.276   6.314
  123   HG21  THR  17          HG21      THR  17  -7.797 -11.524   5.334
  124   HG22  THR  17          HG22      THR  17  -8.284 -11.791   3.661
  125   HG23  THR  17          HG23      THR  17  -8.832 -12.893   4.926
  126    H    GLU  18           HN       GLU  18 -10.975  -9.623   2.410
  127    HA   GLU  18           HA       GLU  18  -8.900 -10.162   0.571
  128    HB2  GLU  18           HB2      GLU  18 -11.766  -9.356   0.161
  129    HB3  GLU  18           HB1      GLU  18 -10.686  -9.918  -1.094
  130    HG2  GLU  18           HG2      GLU  18 -10.491 -12.058   0.065
  131    HG3  GLU  18           HG1      GLU  18 -11.617 -11.473   1.286
  132    H    GLN  19           HN       GLN  19 -10.594  -7.335   1.680
  133    HA   GLN  19           HA       GLN  19  -9.663  -5.478  -0.204
  134    HB2  GLN  19           HB2      GLN  19 -10.288  -5.141   2.726
  135    HB3  GLN  19           HB1      GLN  19 -10.115  -3.824   1.586
  136    HG2  GLN  19           HG2      GLN  19 -12.005  -4.577   0.358
  137    HG3  GLN  19           HG1      GLN  19 -12.136  -6.013   1.343
  138   HE21  GLN  19          HE21      GLN  19 -14.166  -4.139   0.872
  139   HE22  GLN  19          HE22      GLN  19 -14.578  -3.422   2.399
  140    H    ARG  20           HN       ARG  20  -8.309  -6.691   2.832
  141    HA   ARG  20           HA       ARG  20  -5.873  -5.286   2.811
  142    HB2  ARG  20           HB2      ARG  20  -5.934  -8.209   3.506
  143    HB3  ARG  20           HB1      ARG  20  -5.008  -6.920   4.259
  144    HG2  ARG  20           HG2      ARG  20  -7.036  -6.052   5.254
  145    HG3  ARG  20           HG1      ARG  20  -7.981  -7.330   4.479
  146    HD2  ARG  20           HD2      ARG  20  -7.575  -7.948   6.761
  147    HD3  ARG  20           HD1      ARG  20  -6.616  -8.986   5.717
  148    HE   ARG  20           HE       ARG  20  -5.093  -6.761   6.605
  149   HH11  ARG  20          HH11      ARG  20  -6.391  -9.826   7.655
  150   HH12  ARG  20          HH12      ARG  20  -5.173 -10.085   8.863
  151   HH21  ARG  20          HH21      ARG  20  -3.485  -7.075   8.259
  152   HH22  ARG  20          HH22      ARG  20  -3.547  -8.533   9.208
  153    H    ALA  21           HN       ALA  21  -6.838  -8.299   1.300
  154    HA   ALA  21           HA       ALA  21  -4.342  -9.068   0.289
  155    HB1  ALA  21           HB1      ALA  21  -6.254 -10.584   0.559
  156    HB2  ALA  21           HB2      ALA  21  -5.557 -10.667  -1.059
  157    HB3  ALA  21           HB3      ALA  21  -7.061  -9.784  -0.790
  158    H    VAL  22           HN       VAL  22  -6.938  -7.242  -1.259
  159    HA   VAL  22           HA       VAL  22  -5.805  -7.362  -3.837
  160    HB   VAL  22           HB       VAL  22  -7.383  -5.488  -4.397
  161   HG11  VAL  22          HG11      VAL  22  -7.931  -7.921  -4.525
  162   HG12  VAL  22          HG12      VAL  22  -9.324  -6.876  -4.268
  163   HG13  VAL  22          HG13      VAL  22  -8.648  -7.787  -2.918
  164   HG21  VAL  22          HG21      VAL  22  -9.082  -4.925  -2.685
  165   HG22  VAL  22          HG22      VAL  22  -7.467  -4.361  -2.255
  166   HG23  VAL  22          HG23      VAL  22  -8.131  -5.805  -1.486
  167    H    THR  23           HN       THR  23  -5.617  -4.735  -1.385
  168    HA   THR  23           HA       THR  23  -3.683  -3.501  -3.165
  169    HB   THR  23           HB       THR  23  -5.031  -1.898  -2.272
  170    HG1  THR  23           HG1      THR  23  -2.522  -1.924  -0.997
  171   HG21  THR  23          HG21      THR  23  -5.852  -3.187  -0.311
  172   HG22  THR  23          HG22      THR  23  -5.487  -1.496   0.044
  173   HG23  THR  23          HG23      THR  23  -4.352  -2.759   0.509
  174    H    ARG  24           HN       ARG  24  -3.603  -5.720  -0.588
  175    HA   ARG  24           HA       ARG  24  -0.900  -5.327   0.163
  176    HB2  ARG  24           HB2      ARG  24  -2.271  -6.999   1.290
  177    HB3  ARG  24           HB1      ARG  24  -2.498  -7.872  -0.215
  178    HG2  ARG  24           HG2      ARG  24   0.137  -7.979  -0.129
  179    HG3  ARG  24           HG1      ARG  24  -0.160  -7.787   1.601
  180    HD2  ARG  24           HD2      ARG  24  -1.693  -9.711   1.521
  181    HD3  ARG  24           HD1      ARG  24  -1.328  -9.902  -0.194
  182    HE   ARG  24           HE       ARG  24   1.069  -9.941   1.266
  183   HH11  ARG  24          HH11      ARG  24  -1.777 -11.916   0.765
  184   HH12  ARG  24          HH12      ARG  24  -0.946 -13.407   1.070
  185   HH21  ARG  24          HH21      ARG  24   2.168 -11.881   1.636
  186   HH22  ARG  24          HH22      ARG  24   1.313 -13.390   1.532
  187    H    LYS  25           HN       LYS  25  -2.481  -6.125  -2.678
  188    HA   LYS  25           HA       LYS  25  -0.118  -7.014  -4.074
  189    HB2  LYS  25           HB2      LYS  25  -1.841  -8.266  -4.866
  190    HB3  LYS  25           HB1      LYS  25  -3.045  -7.084  -4.423
  191    HG2  LYS  25           HG2      LYS  25  -3.079  -7.395  -6.786
  192    HG3  LYS  25           HG1      LYS  25  -2.480  -5.781  -6.419
  193    HD2  LYS  25           HD2      LYS  25  -0.164  -6.630  -6.746
  194    HD3  LYS  25           HD1      LYS  25  -0.844  -8.188  -7.223
  195    HE2  LYS  25           HE2      LYS  25  -2.061  -7.056  -9.049
  196    HE3  LYS  25           HE1      LYS  25  -1.283  -5.541  -8.598
  197    HZ1  LYS  25           HZ1      LYS  25   0.090  -7.995  -9.551
  198    HZ2  LYS  25           HZ2      LYS  25   0.867  -6.578  -9.063
  199    HZ3  LYS  25           HZ3      LYS  25  -0.130  -6.568 -10.430
  200    H    LEU  26           HN       LEU  26  -2.403  -4.259  -3.857
  201    HA   LEU  26           HA       LEU  26  -1.250  -2.802  -5.989
  202    HB2  LEU  26           HB2      LEU  26  -3.517  -2.414  -5.357
  203    HB3  LEU  26           HB1      LEU  26  -3.049  -2.003  -3.725
  204    HG   LEU  26           HG       LEU  26  -3.760  -0.121  -5.290
  205   HD11  LEU  26          HD11      LEU  26  -2.412   1.416  -4.132
  206   HD12  LEU  26          HD12      LEU  26  -1.138   0.217  -3.907
  207   HD13  LEU  26          HD13      LEU  26  -2.675   0.036  -3.058
  208   HD21  LEU  26          HD21      LEU  26  -2.407  -0.786  -7.207
  209   HD22  LEU  26          HD22      LEU  26  -0.950  -0.459  -6.269
  210   HD23  LEU  26          HD23      LEU  26  -2.056   0.860  -6.673
  211    H    VAL  27           HN       VAL  27  -0.925  -2.324  -2.426
  212    HA   VAL  27           HA       VAL  27   0.899  -0.219  -2.604
  213    HB   VAL  27           HB       VAL  27  -0.053  -0.689  -0.439
  214   HG11  VAL  27          HG11      VAL  27  -0.388  -3.024  -0.475
  215   HG12  VAL  27          HG12      VAL  27   0.731  -2.698   0.853
  216   HG13  VAL  27          HG13      VAL  27   1.332  -3.339  -0.678
  217   HG21  VAL  27          HG21      VAL  27   2.913  -1.269  -0.384
  218   HG22  VAL  27          HG22      VAL  27   1.943  -0.687   0.972
  219   HG23  VAL  27          HG23      VAL  27   2.177   0.336  -0.446
  220    H    LEU  28           HN       LEU  28   1.278  -3.624  -2.711
  221    HA   LEU  28           HA       LEU  28   4.049  -3.899  -2.735
  222    HB2  LEU  28           HB2      LEU  28   1.951  -5.559  -2.734
  223    HB3  LEU  28           HB1      LEU  28   2.342  -5.629  -4.437
  224    HG   LEU  28           HG       LEU  28   4.489  -6.571  -3.987
  225   HD11  LEU  28          HD11      LEU  28   3.844  -5.974  -1.115
  226   HD12  LEU  28          HD12      LEU  28   5.149  -5.294  -2.093
  227   HD13  LEU  28          HD13      LEU  28   5.183  -7.000  -1.642
  228   HD21  LEU  28          HD21      LEU  28   3.798  -8.579  -2.624
  229   HD22  LEU  28          HD22      LEU  28   2.750  -8.191  -3.989
  230   HD23  LEU  28          HD23      LEU  28   2.255  -7.759  -2.350
  231    H    ASP  29           HN       ASP  29   1.715  -3.464  -5.304
  232    HA   ASP  29           HA       ASP  29   3.530  -3.682  -7.471
  233    HB2  ASP  29           HB2      ASP  29   0.997  -3.945  -7.546
  234    HB3  ASP  29           HB1      ASP  29   0.909  -2.193  -7.482
  235    H    GLN  30           HN       GLN  30   2.104  -0.976  -5.718
  236    HA   GLN  30           HA       GLN  30   3.281   1.113  -7.135
  237    HB2  GLN  30           HB2      GLN  30   2.656   0.984  -4.204
  238    HB3  GLN  30           HB1      GLN  30   2.812   2.438  -5.173
  239    HG2  GLN  30           HG2      GLN  30   0.653   0.351  -5.387
  240    HG3  GLN  30           HG1      GLN  30   0.507   1.998  -4.788
  241   HE21  GLN  30          HE21      GLN  30   0.867  -0.009  -7.587
  242   HE22  GLN  30          HE22      GLN  30   0.446   1.197  -8.757
  243    H    ALA  31           HN       ALA  31   4.330  -0.605  -4.253
  244    HA   ALA  31           HA       ALA  31   6.716   0.812  -3.766
  245    HB1  ALA  31           HB1      ALA  31   7.325  -1.090  -2.391
  246    HB2  ALA  31           HB2      ALA  31   6.103  -2.089  -3.190
  247    HB3  ALA  31           HB3      ALA  31   5.610  -0.729  -2.172
  248    H    ALA  32           HN       ALA  32   5.840  -1.739  -5.876
  249    HA   ALA  32           HA       ALA  32   8.429  -2.560  -6.662
  250    HB1  ALA  32           HB1      ALA  32   5.611  -2.907  -7.603
  251    HB2  ALA  32           HB2      ALA  32   6.827  -4.126  -7.163
  252    HB3  ALA  32           HB3      ALA  32   6.924  -3.305  -8.720
  253    H    SER  33           HN       SER  33   6.019  -0.316  -7.933
  254    HA   SER  33           HA       SER  33   7.392   0.460 -10.254
  255    HB2  SER  33           HB2      SER  33   5.045   0.933  -9.955
  256    HB3  SER  33           HB1      SER  33   5.374   1.881  -8.507
  257    HG   SER  33           HG       SER  33   5.363   2.648 -11.091
  258    H    VAL  34           HN       VAL  34   7.491   1.580  -6.936
  259    HA   VAL  34           HA       VAL  34   9.138   3.823  -7.255
  260    HB   VAL  34           HB       VAL  34   9.168   1.963  -4.896
  261   HG11  VAL  34          HG11      VAL  34  10.827   3.684  -4.781
  262   HG12  VAL  34          HG12      VAL  34   9.528   4.086  -3.656
  263   HG13  VAL  34          HG13      VAL  34   9.643   4.917  -5.207
  264   HG21  VAL  34          HG21      VAL  34   7.321   3.234  -3.990
  265   HG22  VAL  34          HG22      VAL  34   6.886   2.392  -5.471
  266   HG23  VAL  34          HG23      VAL  34   7.189   4.132  -5.500
  267    H    LEU  35           HN       LEU  35   9.837   0.586  -6.115
  268    HA   LEU  35           HA       LEU  35  12.555   0.985  -5.766
  269    HB2  LEU  35           HB2      LEU  35  10.592  -1.117  -5.607
  270    HB3  LEU  35           HB1      LEU  35  12.196  -1.719  -6.001
  271    HG   LEU  35           HG       LEU  35  12.996  -1.276  -3.906
  272   HD11  LEU  35          HD11      LEU  35  12.123   0.517  -2.421
  273   HD12  LEU  35          HD12      LEU  35  11.039   1.018  -3.726
  274   HD13  LEU  35          HD13      LEU  35  12.788   1.131  -3.934
  275   HD21  LEU  35          HD21      LEU  35  11.037  -1.473  -2.269
  276   HD22  LEU  35          HD22      LEU  35  11.283  -2.761  -3.447
  277   HD23  LEU  35          HD23      LEU  35  10.031  -1.543  -3.724
  278    H    GLY  36           HN       GLY  36  10.796  -0.154  -8.584
  279    HA2  GLY  36           HA2      GLY  36  12.186   0.329 -10.665
  280    HA3  GLY  36           HA1      GLY  36  13.385  -0.674  -9.867
  281    H    TYR  37           HN       TYR  37  10.157  -1.574  -9.407
  282    HA   TYR  37           HA       TYR  37  10.701  -4.011 -10.958
  283    HB2  TYR  37           HB2      TYR  37   8.713  -3.666  -8.726
  284    HB3  TYR  37           HB1      TYR  37   9.348  -5.162  -9.359
  285    HD1  TYR  37           HD1      TYR  37   9.200  -4.226  -6.482
  286    HD2  TYR  37           HD2      TYR  37  12.311  -4.034  -9.363
  287    HE1  TYR  37           HE1      TYR  37  10.845  -4.229  -4.684
  288    HE2  TYR  37           HE2      TYR  37  13.984  -4.020  -7.573
  289    HH   TYR  37           HH       TYR  37  13.195  -4.733  -4.307
  290    H    ALA  38           HN       ALA  38   8.948  -5.030 -12.030
  291    HA   ALA  38           HA       ALA  38   6.677  -3.267 -12.662
  292    HB1  ALA  38           HB1      ALA  38   8.108  -5.119 -14.560
  293    HB2  ALA  38           HB2      ALA  38   8.304  -3.367 -14.505
  294    HB3  ALA  38           HB3      ALA  38   6.747  -4.066 -14.950
  295    H    SER  39           HN       SER  39   7.522  -6.010 -11.143
  296    HA   SER  39           HA       SER  39   4.899  -7.182 -11.394
  297    HB2  SER  39           HB2      SER  39   7.375  -8.689 -12.257
  298    HB3  SER  39           HB1      SER  39   5.814  -9.448 -11.952
  299    HG   SER  39           HG       SER  39   5.562  -7.335 -13.627
  300    H    THR  40           HN       THR  40   6.397  -5.927  -9.313
  301    HA   THR  40           HA       THR  40   7.268  -6.176  -7.208
  302    HB   THR  40           HB       THR  40   5.807  -7.542  -5.719
  303    HG1  THR  40           HG1      THR  40   5.134  -9.240  -6.942
  304   HG21  THR  40          HG21      THR  40   3.729  -6.269  -6.188
  305   HG22  THR  40          HG22      THR  40   4.427  -5.765  -7.729
  306   HG23  THR  40          HG23      THR  40   5.178  -5.260  -6.213
  307    H    GLU  41           HN       GLU  41   9.017  -7.431  -8.711
  308    HA   GLU  41           HA       GLU  41   9.241 -10.196  -8.555
  309    HB2  GLU  41           HB2      GLU  41  11.633  -9.830  -9.192
  310    HB3  GLU  41           HB1      GLU  41  10.457  -9.033 -10.226
  311    HG2  GLU  41           HG2      GLU  41  10.877  -6.926  -8.974
  312    HG3  GLU  41           HG1      GLU  41  12.159  -7.760  -8.096
  313    H    SER  42           HN       SER  42  11.194  -7.857  -6.647
  314    HA   SER  42           HA       SER  42  11.779 -10.094  -4.842
  315    HB2  SER  42           HB2      SER  42  13.414  -7.591  -5.296
  316    HB3  SER  42           HB1      SER  42  13.872  -8.971  -4.297
  317    HG   SER  42           HG       SER  42  13.858 -10.252  -6.192
  318    H    LEU  43           HN       LEU  43   9.410  -8.579  -4.556
  319    HA   LEU  43           HA       LEU  43   9.931  -6.927  -2.210
  320    HB2  LEU  43           HB2      LEU  43   7.475  -7.418  -3.865
  321    HB3  LEU  43           HB1      LEU  43   7.448  -6.509  -2.367
  322    HG   LEU  43           HG       LEU  43   9.153  -5.760  -4.734
  323   HD11  LEU  43          HD11      LEU  43   6.826  -5.639  -5.337
  324   HD12  LEU  43          HD12      LEU  43   7.481  -4.015  -5.117
  325   HD13  LEU  43          HD13      LEU  43   6.464  -4.737  -3.868
  326   HD21  LEU  43          HD21      LEU  43   9.264  -3.607  -3.556
  327   HD22  LEU  43          HD22      LEU  43   9.961  -4.923  -2.612
  328   HD23  LEU  43          HD23      LEU  43   8.354  -4.310  -2.221
  329    H    ASP  44           HN       ASP  44   8.360  -7.174  -0.407
  330    HA   ASP  44           HA       ASP  44   7.335  -9.872  -0.035
  331    HB2  ASP  44           HB2      ASP  44   9.756  -9.422   1.025
  332    HB3  ASP  44           HB1      ASP  44   8.779  -8.673   2.278
  333    H    THR  45           HN       THR  45   5.595  -9.934   1.383
  334    HA   THR  45           HA       THR  45   4.558  -7.299   2.127
  335    HB   THR  45           HB       THR  45   2.406  -8.652   2.495
  336    HG1  THR  45           HG1      THR  45   3.650 -10.464   0.691
  337   HG21  THR  45          HG21      THR  45   3.612  -8.229  -0.224
  338   HG22  THR  45          HG22      THR  45   2.564  -7.135   0.681
  339   HG23  THR  45          HG23      THR  45   1.920  -8.647   0.044
  340    H    HIS  46           HN       HIS  46   6.141  -9.940   3.394
  341    HA   HIS  46           HA       HIS  46   5.009  -9.528   6.080
  342    HB2  HIS  46           HB2      HIS  46   6.838 -11.722   5.072
  343    HB3  HIS  46           HB1      HIS  46   6.189 -11.605   6.699
  344    HD1  HIS  46           HD1      HIS  46   4.228 -13.054   7.069
  345    HD2  HIS  46           HD2      HIS  46   4.551 -11.851   3.113
  346    HE1  HIS  46           HE1      HIS  46   2.385 -14.251   5.854
  347    HE2  HIS  46           HE2      HIS  46   2.808 -13.739   3.425
  348    H    GLU  47           HN       GLU  47   7.332  -8.284   4.192
  349    HA   GLU  47           HA       GLU  47   9.143  -7.860   6.456
  350    HB2  GLU  47           HB2      GLU  47  10.927  -8.475   5.263
  351    HB3  GLU  47           HB1      GLU  47   9.800  -9.161   4.109
  352    HG2  GLU  47           HG2      GLU  47   9.862  -7.053   2.828
  353    HG3  GLU  47           HG1      GLU  47  11.042  -6.419   3.983
  354    H    SER  48           HN       SER  48  10.134  -5.779   6.525
  355    HA   SER  48           HA       SER  48   8.052  -3.858   5.967
  356    HB2  SER  48           HB2      SER  48  10.621  -3.251   7.406
  357    HB3  SER  48           HB1      SER  48   9.015  -2.567   7.647
  358    HG   SER  48           HG       SER  48   9.605  -4.067   9.295
  359    H    PHE  49           HN       PHE  49   8.310  -1.933   4.912
  360    HA   PHE  49           HA       PHE  49   9.688  -1.864   2.522
  361    HB2  PHE  49           HB2      PHE  49   8.732   0.471   4.162
  362    HB3  PHE  49           HB1      PHE  49   9.195   0.553   2.468
  363    HD1  PHE  49           HD1      PHE  49   7.754  -0.323   0.747
  364    HD2  PHE  49           HD2      PHE  49   6.696  -0.615   4.852
  365    HE1  PHE  49           HE1      PHE  49   5.441  -0.868   0.113
  366    HE2  PHE  49           HE2      PHE  49   4.396  -1.156   4.226
  367    HZ   PHE  49           HZ       PHE  49   3.760  -1.284   1.864
  368    H    LYS  50           HN       LYS  50  10.718  -0.802   5.655
  369    HA   LYS  50           HA       LYS  50  13.057   0.473   5.257
  370    HB2  LYS  50           HB2      LYS  50  12.020  -0.432   7.399
  371    HB3  LYS  50           HB1      LYS  50  12.806  -1.951   7.024
  372    HG2  LYS  50           HG2      LYS  50  14.122  -0.767   8.610
  373    HG3  LYS  50           HG1      LYS  50  14.983  -0.813   7.075
  374    HD2  LYS  50           HD2      LYS  50  15.182   1.388   8.073
  375    HD3  LYS  50           HD1      LYS  50  14.209   1.480   6.606
  376    HE2  LYS  50           HE2      LYS  50  12.173   1.509   7.931
  377    HE3  LYS  50           HE1      LYS  50  13.115   1.336   9.411
  378    HZ1  LYS  50           HZ1      LYS  50  13.299   3.631   7.539
  379    HZ2  LYS  50           HZ2      LYS  50  14.111   3.471   9.010
  380    HZ3  LYS  50           HZ3      LYS  50  12.431   3.631   8.989
  381    H    ASP  51           HN       ASP  51  12.626  -3.021   5.134
  382    HA   ASP  51           HA       ASP  51  15.264  -3.588   4.240
  383    HB2  ASP  51           HB2      ASP  51  13.742  -5.200   5.433
  384    HB3  ASP  51           HB1      ASP  51  12.845  -5.355   3.930
  385    H    LEU  52           HN       LEU  52  12.289  -2.821   2.664
  386    HA   LEU  52           HA       LEU  52  12.949  -3.776   0.072
  387    HB2  LEU  52           HB2      LEU  52  10.872  -1.936   1.180
  388    HB3  LEU  52           HB1      LEU  52  11.058  -2.104  -0.538
  389    HG   LEU  52           HG       LEU  52  10.561  -4.514  -0.366
  390   HD11  LEU  52          HD11      LEU  52  10.178  -3.884   2.542
  391   HD12  LEU  52          HD12      LEU  52  11.378  -4.973   1.843
  392   HD13  LEU  52          HD13      LEU  52   9.661  -5.375   1.757
  393   HD21  LEU  52          HD21      LEU  52   8.549  -2.698   0.928
  394   HD22  LEU  52          HD22      LEU  52   8.207  -4.326   0.340
  395   HD23  LEU  52          HD23      LEU  52   8.705  -3.061  -0.793
  396    H    GLY  53           HN       GLY  53  13.779  -1.048   1.906
  397    HA2  GLY  53           HA2      GLY  53  15.738   0.127   1.258
  398    HA3  GLY  53           HA1      GLY  53  15.258  -0.038  -0.416
  399    H    PHE  54           HN       PHE  54  12.649   0.816   1.624
  400    HA   PHE  54           HA       PHE  54  12.500   3.344   0.333
  401    HB2  PHE  54           HB2      PHE  54  10.797   2.040   2.453
  402    HB3  PHE  54           HB1      PHE  54  10.472   3.648   1.805
  403    HD1  PHE  54           HD1      PHE  54   9.685   3.969  -0.404
  404    HD2  PHE  54           HD2      PHE  54  10.620   0.074   1.009
  405    HE1  PHE  54           HE1      PHE  54   8.589   3.012  -2.368
  406    HE2  PHE  54           HE2      PHE  54   9.525  -0.911  -0.947
  407    HZ   PHE  54           HZ       PHE  54   8.520   0.551  -2.673
  408    H    ASP  55           HN       ASP  55  12.250   5.393   1.348
  409    HA   ASP  55           HA       ASP  55  13.628   5.919   3.829
  410    HB2  ASP  55           HB2      ASP  55  15.376   5.450   1.917
  411    HB3  ASP  55           HB1      ASP  55  14.908   7.046   1.345
  412    H    SER  56           HN       SER  56  14.258   8.615   3.348
  413    HA   SER  56           HA       SER  56  11.623   9.785   3.242
  414    HB2  SER  56           HB2      SER  56  14.333  11.124   3.465
  415    HB3  SER  56           HB1      SER  56  12.773  11.885   3.778
  416    HG   SER  56           HG       SER  56  14.193  10.004   5.296
  417    H    LEU  57           HN       LEU  57  12.333   8.564   0.867
  418    HA   LEU  57           HA       LEU  57  12.203  10.720  -1.077
  419    HB2  LEU  57           HB2      LEU  57  14.003   8.332  -1.307
  420    HB3  LEU  57           HB1      LEU  57  13.869   9.640  -2.466
  421    HG   LEU  57           HG       LEU  57  14.857   9.998   0.353
  422   HD11  LEU  57          HD11      LEU  57  16.336   8.467  -0.804
  423   HD12  LEU  57          HD12      LEU  57  17.114  10.038  -0.609
  424   HD13  LEU  57          HD13      LEU  57  16.445   9.572  -2.174
  425   HD21  LEU  57          HD21      LEU  57  14.016  12.012  -0.693
  426   HD22  LEU  57          HD22      LEU  57  15.032  11.732  -2.107
  427   HD23  LEU  57          HD23      LEU  57  15.771  12.091  -0.547
  428    H    THR  58           HN       THR  58  12.609   7.215  -0.991
  429    HA   THR  58           HA       THR  58  10.831   6.760  -3.140
  430    HB   THR  58           HB       THR  58  11.112   4.310  -2.281
  431    HG1  THR  58           HG1      THR  58  13.285   4.398  -1.063
  432   HG21  THR  58          HG21      THR  58  13.510   5.907  -3.185
  433   HG22  THR  58          HG22      THR  58  12.256   5.255  -4.239
  434   HG23  THR  58          HG23      THR  58  13.304   4.161  -3.336
  435    H    ALA  59           HN       ALA  59  10.560   6.346   0.365
  436    HA   ALA  59           HA       ALA  59   8.046   5.186   0.476
  437    HB1  ALA  59           HB1      ALA  59   7.902   6.055   2.733
  438    HB2  ALA  59           HB2      ALA  59   9.145   7.259   2.386
  439    HB3  ALA  59           HB3      ALA  59   9.566   5.548   2.425
  440    H    LEU  60           HN       LEU  60   9.061   8.468  -0.020
  441    HA   LEU  60           HA       LEU  60   6.584   9.731   0.364
  442    HB2  LEU  60           HB2      LEU  60   9.076  10.509  -1.129
  443    HB3  LEU  60           HB1      LEU  60   7.688  11.574  -1.006
  444    HG   LEU  60           HG       LEU  60   9.464  12.128   0.628
  445   HD11  LEU  60          HD11      LEU  60   7.142  12.677   1.121
  446   HD12  LEU  60          HD12      LEU  60   8.049  12.281   2.581
  447   HD13  LEU  60          HD13      LEU  60   6.940  11.101   1.887
  448   HD21  LEU  60          HD21      LEU  60   9.813  10.676   2.564
  449   HD22  LEU  60          HD22      LEU  60  10.332   9.902   1.066
  450   HD23  LEU  60          HD23      LEU  60   8.800   9.441   1.812
  451    H    GLU  61           HN       GLU  61   8.224   8.623  -2.605
  452    HA   GLU  61           HA       GLU  61   5.982   9.390  -4.226
  453    HB2  GLU  61           HB2      GLU  61   7.170   7.878  -5.953
  454    HB3  GLU  61           HB1      GLU  61   7.942   9.385  -5.464
  455    HG2  GLU  61           HG2      GLU  61   9.352   8.124  -3.905
  456    HG3  GLU  61           HG1      GLU  61   8.594   6.632  -4.453
  457    H    LEU  62           HN       LEU  62   6.970   6.465  -2.571
  458    HA   LEU  62           HA       LEU  62   5.035   4.734  -3.721
  459    HB2  LEU  62           HB2      LEU  62   6.802   3.818  -2.371
  460    HB3  LEU  62           HB1      LEU  62   6.276   4.751  -0.986
  461    HG   LEU  62           HG       LEU  62   4.182   3.494  -0.906
  462   HD11  LEU  62          HD11      LEU  62   5.354   1.991  -3.224
  463   HD12  LEU  62          HD12      LEU  62   3.898   2.987  -3.224
  464   HD13  LEU  62          HD13      LEU  62   3.942   1.482  -2.299
  465   HD21  LEU  62          HD21      LEU  62   6.547   1.657  -1.030
  466   HD22  LEU  62          HD22      LEU  62   5.081   1.466  -0.065
  467   HD23  LEU  62          HD23      LEU  62   6.217   2.767   0.297
  468    H    ARG  63           HN       ARG  63   5.032   6.754  -0.838
  469    HA   ARG  63           HA       ARG  63   2.455   6.234   0.089
  470    HB2  ARG  63           HB2      ARG  63   3.882   7.469   1.495
  471    HB3  ARG  63           HB1      ARG  63   4.346   8.572   0.210
  472    HG2  ARG  63           HG2      ARG  63   1.813   9.245   0.285
  473    HG3  ARG  63           HG1      ARG  63   1.917   8.586   1.921
  474    HD2  ARG  63           HD2      ARG  63   2.351  11.012   1.839
  475    HD3  ARG  63           HD1      ARG  63   3.718  10.090   2.458
  476    HE   ARG  63           HE       ARG  63   4.405  10.294  -0.093
  477   HH11  ARG  63          HH11      ARG  63   3.123  12.716   2.080
  478   HH12  ARG  63          HH12      ARG  63   3.909  14.038   1.277
  479   HH21  ARG  63          HH21      ARG  63   5.426  12.034  -1.173
  480   HH22  ARG  63          HH22      ARG  63   5.207  13.649  -0.581
  481    H    ASP  64           HN       ASP  64   3.780   8.599  -2.146
  482    HA   ASP  64           HA       ASP  64   1.476   9.891  -2.960
  483    HB2  ASP  64           HB2      ASP  64   3.878  10.461  -3.499
  484    HB3  ASP  64           HB1      ASP  64   3.801   9.216  -4.735
  485    H    HIS  65           HN       HIS  65   2.968   6.909  -4.132
  486    HA   HIS  65           HA       HIS  65   1.229   6.390  -6.265
  487    HB2  HIS  65           HB2      HIS  65   2.814   4.556  -4.514
  488    HB3  HIS  65           HB1      HIS  65   1.914   4.002  -5.901
  489    HD1  HIS  65           HD1      HIS  65   2.899   6.632  -7.636
  490    HD2  HIS  65           HD2      HIS  65   5.182   3.823  -5.639
  491    HE1  HIS  65           HE1      HIS  65   5.186   6.712  -8.705
  492    HE2  HIS  65           HE2      HIS  65   6.568   5.081  -7.417
  493    H    LEU  66           HN       LEU  66   1.037   5.483  -2.818
  494    HA   LEU  66           HA       LEU  66  -1.163   3.733  -3.147
  495    HB2  LEU  66           HB2      LEU  66   0.057   5.167  -0.842
  496    HB3  LEU  66           HB1      LEU  66  -1.466   4.339  -0.626
  497    HG   LEU  66           HG       LEU  66  -0.524   2.243  -0.800
  498   HD11  LEU  66          HD11      LEU  66   0.501   2.532  -2.989
  499   HD12  LEU  66          HD12      LEU  66   1.608   1.739  -1.872
  500   HD13  LEU  66          HD13      LEU  66   1.819   3.447  -2.262
  501   HD21  LEU  66          HD21      LEU  66   1.590   2.261   0.467
  502   HD22  LEU  66          HD22      LEU  66   0.356   3.311   1.162
  503   HD23  LEU  66          HD23      LEU  66   1.682   4.007   0.229
  504    H    GLN  67           HN       GLN  67  -0.943   7.148  -2.361
  505    HA   GLN  67           HA       GLN  67  -3.741   7.500  -1.860
  506    HB2  GLN  67           HB2      GLN  67  -1.908   9.687  -2.771
  507    HB3  GLN  67           HB1      GLN  67  -3.271   9.788  -1.665
  508    HG2  GLN  67           HG2      GLN  67  -2.088   8.885   0.086
  509    HG3  GLN  67           HG1      GLN  67  -0.929   8.114  -1.003
  510   HE21  GLN  67          HE21      GLN  67  -0.410  10.393  -2.603
  511   HE22  GLN  67          HE22      GLN  67   0.529  11.479  -1.652
  512    H    THR  68           HN       THR  68  -1.635   7.765  -4.633
  513    HA   THR  68           HA       THR  68  -3.508   8.839  -6.420
  514    HB   THR  68           HB       THR  68  -0.900   7.405  -6.527
  515    HG1  THR  68           HG1      THR  68  -0.672   9.533  -6.118
  516   HG21  THR  68          HG21      THR  68  -2.152   6.584  -8.468
  517   HG22  THR  68          HG22      THR  68  -0.787   7.596  -8.933
  518   HG23  THR  68          HG23      THR  68  -2.427   8.247  -8.988
  519    H    ALA  69           HN       ALA  69  -2.312   5.636  -5.767
  520    HA   ALA  69           HA       ALA  69  -3.894   4.109  -7.429
  521    HB1  ALA  69           HB1      ALA  69  -2.800   3.436  -4.720
  522    HB2  ALA  69           HB2      ALA  69  -1.958   3.272  -6.260
  523    HB3  ALA  69           HB3      ALA  69  -3.369   2.269  -5.913
  524    H    THR  70           HN       THR  70  -4.496   4.967  -4.019
  525    HA   THR  70           HA       THR  70  -7.028   3.523  -4.107
  526    HB   THR  70           HB       THR  70  -7.140   3.929  -1.698
  527    HG1  THR  70           HG1      THR  70  -4.638   5.238  -1.780
  528   HG21  THR  70          HG21      THR  70  -5.707   2.093  -2.560
  529   HG22  THR  70          HG22      THR  70  -5.153   2.739  -1.015
  530   HG23  THR  70          HG23      THR  70  -4.329   3.196  -2.506
  531    H    GLY  71           HN       GLY  71  -5.817   6.771  -3.885
  532    HA2  GLY  71           HA2      GLY  71  -6.985   8.725  -4.451
  533    HA3  GLY  71           HA1      GLY  71  -8.498   7.833  -4.337
  534    H    LEU  72           HN       LEU  72  -6.568   7.100  -1.754
  535    HA   LEU  72           HA       LEU  72  -8.244   8.738  -0.011
  536    HB2  LEU  72           HB2      LEU  72  -6.632   6.229   0.363
  537    HB3  LEU  72           HB1      LEU  72  -7.197   7.149   1.740
  538    HG   LEU  72           HG       LEU  72  -8.642   5.220   1.210
  539   HD11  LEU  72          HD11      LEU  72 -10.767   6.384   1.321
  540   HD12  LEU  72          HD12      LEU  72  -9.993   7.878   0.790
  541   HD13  LEU  72          HD13      LEU  72  -9.571   7.170   2.350
  542   HD21  LEU  72          HD21      LEU  72 -10.088   5.240  -0.735
  543   HD22  LEU  72          HD22      LEU  72  -8.393   5.189  -1.212
  544   HD23  LEU  72          HD23      LEU  72  -9.292   6.698  -1.326
  545    H    ASN  73           HN       ASN  73  -6.673   8.843   2.258
  546    HA   ASN  73           HA       ASN  73  -4.523  10.619   1.323
  547    HB2  ASN  73           HB2      ASN  73  -6.561  11.834   2.124
  548    HB3  ASN  73           HB1      ASN  73  -6.301  11.121   3.711
  549   HD21  ASN  73          HD21      ASN  73  -5.108  13.372   1.351
  550   HD22  ASN  73          HD22      ASN  73  -4.030  14.217   2.410
  551    H    LEU  74           HN       LEU  74  -2.787   9.413   1.753
  552    HA   LEU  74           HA       LEU  74  -2.571   8.091   4.329
  553    HB2  LEU  74           HB2      LEU  74  -0.948   7.867   1.800
  554    HB3  LEU  74           HB1      LEU  74  -0.573   7.005   3.290
  555    HG   LEU  74           HG       LEU  74  -3.046   6.139   3.045
  556   HD11  LEU  74          HD11      LEU  74  -3.791   5.851   0.771
  557   HD12  LEU  74          HD12      LEU  74  -2.352   6.676   0.157
  558   HD13  LEU  74          HD13      LEU  74  -3.557   7.573   1.081
  559   HD21  LEU  74          HD21      LEU  74  -0.650   5.187   1.518
  560   HD22  LEU  74          HD22      LEU  74  -2.150   4.273   1.629
  561   HD23  LEU  74          HD23      LEU  74  -1.237   4.644   3.092
  562    H    SER  75           HN       SER  75   0.449   8.166   4.285
  563    HA   SER  75           HA       SER  75   0.735  10.956   5.152
  564    HB2  SER  75           HB2      SER  75  -0.131   9.771   7.103
  565    HB3  SER  75           HB1      SER  75   1.150   8.570   6.967
  566    HG   SER  75           HG       SER  75   2.252   9.848   8.196
  567    H    SER  76           HN       SER  76   3.023  11.440   5.901
  568    HA   SER  76           HA       SER  76   4.776  10.841   3.803
  569    HB2  SER  76           HB2      SER  76   5.431  11.944   6.538
  570    HB3  SER  76           HB1      SER  76   6.454  12.055   5.105
  571    HG   SER  76           HG       SER  76   5.402  13.841   4.768
  572    H    THR  77           HN       THR  77   4.682   9.571   7.112
  573    HA   THR  77           HA       THR  77   6.894   7.742   6.462
  574    HB   THR  77           HB       THR  77   6.961   7.363   8.956
  575    HG1  THR  77           HG1      THR  77   5.284   8.142   9.993
  576   HG21  THR  77          HG21      THR  77   8.083   9.501   9.428
  577   HG22  THR  77          HG22      THR  77   7.372  10.183   7.965
  578   HG23  THR  77          HG23      THR  77   8.531   8.859   7.848
  579    H    LEU  78           HN       LEU  78   4.280   7.497   5.525
  580    HA   LEU  78           HA       LEU  78   2.424   5.966   6.790
  581    HB2  LEU  78           HB2      LEU  78   2.288   7.054   4.582
  582    HB3  LEU  78           HB1      LEU  78   3.339   5.826   3.936
  583    HG   LEU  78           HG       LEU  78   0.716   5.787   3.631
  584   HD11  LEU  78          HD11      LEU  78   0.909   3.327   3.309
  585   HD12  LEU  78          HD12      LEU  78   2.542   3.437   3.969
  586   HD13  LEU  78          HD13      LEU  78   2.126   4.302   2.477
  587   HD21  LEU  78          HD21      LEU  78   1.222   4.587   6.308
  588   HD22  LEU  78          HD22      LEU  78  -0.051   3.932   5.272
  589   HD23  LEU  78          HD23      LEU  78  -0.096   5.626   5.758
  590    H    ILE  79           HN       ILE  79   4.976   4.666   4.691
  591    HA   ILE  79           HA       ILE  79   4.441   1.947   5.474
  592    HB   ILE  79           HB       ILE  79   6.245   1.379   3.971
  593   HG12  ILE  79          HG12      ILE  79   6.816   4.330   4.033
  594   HG13  ILE  79          HG11      ILE  79   7.914   3.006   4.409
  595   HG21  ILE  79          HG21      ILE  79   5.439   2.464   1.929
  596   HG22  ILE  79          HG22      ILE  79   4.522   3.608   2.912
  597   HG23  ILE  79          HG23      ILE  79   4.121   1.888   2.950
  598   HD11  ILE  79          HD11      ILE  79   7.684   2.316   2.001
  599   HD12  ILE  79          HD12      ILE  79   8.537   3.828   2.304
  600   HD13  ILE  79          HD13      ILE  79   6.865   3.862   1.742
  601    H    PHE  80           HN       PHE  80   5.866   4.227   7.212
  602    HA   PHE  80           HA       PHE  80   7.679   2.290   8.475
  603    HB2  PHE  80           HB2      PHE  80   7.823   5.314   8.497
  604    HB3  PHE  80           HB1      PHE  80   8.907   4.247   9.384
  605    HD1  PHE  80           HD1      PHE  80   9.132   6.340   6.876
  606    HD2  PHE  80           HD2      PHE  80   9.428   2.134   7.441
  607    HE1  PHE  80           HE1      PHE  80  10.536   6.170   4.866
  608    HE2  PHE  80           HE2      PHE  80  10.829   1.941   5.428
  609    HZ   PHE  80           HZ       PHE  80  11.394   3.974   4.141
  610    H    ASP  81           HN       ASP  81   4.876   4.041   8.567
  611    HA   ASP  81           HA       ASP  81   4.407   3.893  11.409
  612    HB2  ASP  81           HB2      ASP  81   3.372   5.564   9.648
  613    HB3  ASP  81           HB1      ASP  81   2.305   4.220   9.323
  614    H    HIS  82           HN       HIS  82   3.594   2.356   8.421
  615    HA   HIS  82           HA       HIS  82   2.634  -0.031   9.818
  616    HB2  HIS  82           HB2      HIS  82   1.836   0.911   7.053
  617    HB3  HIS  82           HB1      HIS  82   1.119  -0.399   7.981
  618    HD1  HIS  82           HD1      HIS  82  -0.446   0.250   9.946
  619    HD2  HIS  82           HD2      HIS  82   1.010   3.472   7.760
  620    HE1  HIS  82           HE1      HIS  82  -1.728   2.245  10.765
  621    HE2  HIS  82           HE2      HIS  82  -0.674   4.206   9.593
  622    HA   PRO  83           HA       PRO  83   6.626  -1.071   8.478
  623    HB2  PRO  83           HB2      PRO  83   6.530  -3.765   9.028
  624    HB3  PRO  83           HB1      PRO  83   6.762  -2.508  10.249
  625    HG2  PRO  83           HG2      PRO  83   4.226  -3.909   9.435
  626    HG3  PRO  83           HG1      PRO  83   4.835  -3.550  11.067
  627    HD2  PRO  83           HD2      PRO  83   2.962  -2.011   9.956
  628    HD3  PRO  83           HD1      PRO  83   4.266  -1.293  10.911
  629    H    THR  84           HN       THR  84   4.046  -3.221   7.326
  630    HA   THR  84           HA       THR  84   5.738  -3.825   5.018
  631    HB   THR  84           HB       THR  84   4.684  -6.025   4.944
  632    HG1  THR  84           HG1      THR  84   3.505  -6.513   7.069
  633   HG21  THR  84          HG21      THR  84   5.773  -5.432   7.698
  634   HG22  THR  84          HG22      THR  84   6.759  -5.690   6.260
  635   HG23  THR  84          HG23      THR  84   5.754  -7.000   6.888
  636    HA   PRO  85           HA       PRO  85   2.459  -2.597   2.286
  637    HB2  PRO  85           HB2      PRO  85   2.766  -5.238   0.976
  638    HB3  PRO  85           HB1      PRO  85   2.897  -3.626   0.274
  639    HG2  PRO  85           HG2      PRO  85   5.053  -5.164   0.698
  640    HG3  PRO  85           HG1      PRO  85   5.108  -3.400   0.858
  641    HD2  PRO  85           HD2      PRO  85   5.051  -5.489   2.968
  642    HD3  PRO  85           HD1      PRO  85   5.846  -3.909   2.968
  643    H    HIS  86           HN       HIS  86   2.563  -5.482   4.048
  644    HA   HIS  86           HA       HIS  86  -0.177  -6.280   3.677
  645    HB2  HIS  86           HB2      HIS  86   1.155  -8.044   4.367
  646    HB3  HIS  86           HB1      HIS  86   2.103  -7.050   5.449
  647    HD1  HIS  86           HD1      HIS  86  -0.625  -9.466   5.411
  648    HD2  HIS  86           HD2      HIS  86   0.693  -6.411   7.917
  649    HE1  HIS  86           HE1      HIS  86  -1.672  -9.936   7.649
  650    HE2  HIS  86           HE2      HIS  86  -0.971  -8.008   9.112
  651    H    ALA  87           HN       ALA  87   1.697  -4.540   6.089
  652    HA   ALA  87           HA       ALA  87  -0.502  -4.014   7.845
  653    HB1  ALA  87           HB1      ALA  87   1.068  -2.617   9.056
  654    HB2  ALA  87           HB2      ALA  87   2.190  -2.660   7.695
  655    HB3  ALA  87           HB3      ALA  87   1.850  -4.133   8.609
  656    H    VAL  88           HN       VAL  88   0.783  -2.646   5.060
  657    HA   VAL  88           HA       VAL  88  -0.361  -0.014   5.474
  658    HB   VAL  88           HB       VAL  88   1.113  -1.271   3.182
  659   HG11  VAL  88          HG11      VAL  88   1.182   1.000   2.202
  660   HG12  VAL  88          HG12      VAL  88   0.025   1.516   3.431
  661   HG13  VAL  88          HG13      VAL  88  -0.431   0.288   2.251
  662   HG21  VAL  88          HG21      VAL  88   2.889   0.316   3.778
  663   HG22  VAL  88          HG22      VAL  88   2.512  -0.795   5.095
  664   HG23  VAL  88          HG23      VAL  88   1.917   0.869   5.144
  665    H    ALA  89           HN       ALA  89  -0.832  -2.799   3.351
  666    HA   ALA  89           HA       ALA  89  -2.998  -1.761   1.932
  667    HB1  ALA  89           HB1      ALA  89  -3.592  -4.108   1.457
  668    HB2  ALA  89           HB2      ALA  89  -2.369  -4.622   2.621
  669    HB3  ALA  89           HB3      ALA  89  -1.894  -3.740   1.169
  670    H    GLU  90           HN       GLU  90  -2.922  -3.510   5.073
  671    HA   GLU  90           HA       GLU  90  -5.776  -3.536   5.298
  672    HB2  GLU  90           HB2      GLU  90  -5.311  -3.988   7.723
  673    HB3  GLU  90           HB1      GLU  90  -4.533  -5.109   6.611
  674    HG2  GLU  90           HG2      GLU  90  -2.441  -3.980   6.856
  675    HG3  GLU  90           HG1      GLU  90  -3.181  -2.731   7.849
  676    H    HIS  91           HN       HIS  91  -3.223  -1.335   6.115
  677    HA   HIS  91           HA       HIS  91  -4.691   0.512   7.601
  678    HB2  HIS  91           HB2      HIS  91  -2.347   0.711   7.699
  679    HB3  HIS  91           HB1      HIS  91  -2.190   0.723   5.941
  680    HD1  HIS  91           HD1      HIS  91  -3.494   2.950   8.751
  681    HD2  HIS  91           HD2      HIS  91  -2.129   3.155   4.833
  682    HE1  HIS  91           HE1      HIS  91  -3.351   5.405   8.219
  683    HE2  HIS  91           HE2      HIS  91  -2.380   5.517   5.900
  684    H    LEU  92           HN       LEU  92  -4.566  -0.176   4.219
  685    HA   LEU  92           HA       LEU  92  -5.720   2.300   3.403
  686    HB2  LEU  92           HB2      LEU  92  -4.961  -0.250   2.091
  687    HB3  LEU  92           HB1      LEU  92  -6.206   0.716   1.304
  688    HG   LEU  92           HG       LEU  92  -4.752   2.501   0.903
  689   HD11  LEU  92          HD11      LEU  92  -3.752   2.963   2.961
  690   HD12  LEU  92          HD12      LEU  92  -2.402   2.484   1.929
  691   HD13  LEU  92          HD13      LEU  92  -3.068   1.344   3.094
  692   HD21  LEU  92          HD21      LEU  92  -2.774   1.535  -0.140
  693   HD22  LEU  92          HD22      LEU  92  -4.222   0.589  -0.489
  694   HD23  LEU  92          HD23      LEU  92  -3.066   0.022   0.716
  695    H    LEU  93           HN       LEU  93  -6.907  -0.478   4.859
  696    HA   LEU  93           HA       LEU  93  -9.624  -0.346   3.898
  697    HB2  LEU  93           HB2      LEU  93  -8.364  -1.685   6.268
  698    HB3  LEU  93           HB1      LEU  93 -10.092  -1.704   6.001
  699    HG   LEU  93           HG       LEU  93  -9.919  -3.144   4.173
  700   HD11  LEU  93          HD11      LEU  93  -7.789  -3.703   3.071
  701   HD12  LEU  93          HD12      LEU  93  -6.973  -2.500   4.077
  702   HD13  LEU  93          HD13      LEU  93  -8.201  -1.995   2.913
  703   HD21  LEU  93          HD21      LEU  93  -7.667  -3.929   6.008
  704   HD22  LEU  93          HD22      LEU  93  -8.643  -5.005   5.000
  705   HD23  LEU  93          HD23      LEU  93  -9.382  -4.157   6.358
  706    H    GLU  94           HN       GLU  94  -7.702   0.877   6.446
  707    HA   GLU  94           HA       GLU  94  -9.577   1.921   8.216
  708    HB2  GLU  94           HB2      GLU  94  -6.811   2.772   7.397
  709    HB3  GLU  94           HB1      GLU  94  -7.670   3.525   8.744
  710    HG2  GLU  94           HG2      GLU  94  -7.039   0.590   8.549
  711    HG3  GLU  94           HG1      GLU  94  -6.033   1.768   9.388
  712    H    GLN  95           HN       GLN  95  -8.478   3.001   5.122
  713    HA   GLN  95           HA       GLN  95  -9.459   5.692   5.361
  714    HB2  GLN  95           HB2      GLN  95  -8.649   4.292   2.835
  715    HB3  GLN  95           HB1      GLN  95  -8.436   5.983   3.271
  716    HG2  GLN  95           HG2      GLN  95  -7.000   3.733   4.641
  717    HG3  GLN  95           HG1      GLN  95  -6.354   4.585   3.245
  718   HE21  GLN  95          HE21      GLN  95  -5.486   4.344   6.049
  719   HE22  GLN  95          HE22      GLN  95  -5.290   5.969   6.610
  720    H    ILE  96           HN       ILE  96 -10.673   2.644   4.441
  721    HA   ILE  96           HA       ILE  96 -12.371   3.454   2.306
  722    HB   ILE  96           HB       ILE  96 -12.216   0.896   3.873
  723   HG12  ILE  96          HG12      ILE  96 -10.125   1.682   2.864
  724   HG13  ILE  96          HG11      ILE  96 -10.685   0.183   2.159
  725   HG21  ILE  96          HG21      ILE  96 -13.261  -0.214   2.053
  726   HG22  ILE  96          HG22      ILE  96 -13.257   1.256   1.083
  727   HG23  ILE  96          HG23      ILE  96 -14.294   1.142   2.508
  728   HD11  ILE  96          HD11      ILE  96 -11.131   2.898   0.943
  729   HD12  ILE  96          HD12      ILE  96 -11.437   1.330   0.195
  730   HD13  ILE  96          HD13      ILE  96  -9.779   1.838   0.533
  731    HA   PRO  97           HA       PRO  97 -15.869   4.794   4.506
  732    HB2  PRO  97           HB2      PRO  97 -17.679   4.750   2.551
  733    HB3  PRO  97           HB1      PRO  97 -16.264   5.809   2.470
  734    HG2  PRO  97           HG2      PRO  97 -16.651   3.111   1.228
  735    HG3  PRO  97           HG1      PRO  97 -16.088   4.601   0.466
  736    HD2  PRO  97           HD2      PRO  97 -14.390   2.707   1.327
  737    HD3  PRO  97           HD1      PRO  97 -13.994   4.422   1.385
  738    H    GLY  98           HN       GLY  98 -15.980   2.841   5.936
  739    HA2  GLY  98           HA2      GLY  98 -17.554   1.588   7.087
  740    HA3  GLY  98           HA1      GLY  98 -18.665   1.807   5.749
  741    H    ILE  99           HN       ILE  99 -17.605   0.653   3.665
  742    HA   ILE  99           HA       ILE  99 -17.920  -2.097   3.999
  743    HB   ILE  99           HB       ILE  99 -16.468  -2.080   1.758
  744   HG12  ILE  99          HG12      ILE  99 -17.643   0.634   1.506
  745   HG13  ILE  99          HG11      ILE  99 -16.147   0.493   2.422
  746   HG21  ILE  99          HG21      ILE  99 -18.797  -2.732   1.916
  747   HG22  ILE  99          HG22      ILE  99 -18.539  -1.686   0.520
  748   HG23  ILE  99          HG23      ILE  99 -19.284  -1.038   1.982
  749   HD11  ILE  99          HD11      ILE  99 -15.146  -0.653   0.456
  750   HD12  ILE  99          HD12      ILE  99 -15.592   1.037   0.198
  751   HD13  ILE  99          HD13      ILE  99 -16.614  -0.256  -0.447
  752    H    GLY 100           HN       GLY 100 -15.075  -0.112   4.287
  753    HA2  GLY 100           HA2      GLY 100 -13.443  -2.537   4.605
  754    HA3  GLY 100           HA1      GLY 100 -12.825  -1.005   3.999
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -12.882  12.201   1.268
    2    H2   GLY   1           HT2      GLY   1 -11.314  12.218   1.895
    3    H3   GLY   1           HT3      GLY   1 -11.736  11.094   0.704
    4    HA2  GLY   1           HA1      GLY   1 -11.586  14.034   0.358
    5    HA3  GLY   1           HA2      GLY   1 -10.434  12.861  -0.265
    6    H    SER   2           HN       SER   2 -10.828  13.601  -2.398
    7    HA   SER   2           HA       SER   2 -13.506  13.458  -3.460
    8    HB2  SER   2           HB2      SER   2 -11.968  15.211  -4.224
    9    HB3  SER   2           HB1      SER   2 -10.860  13.985  -4.835
   10    HG   SER   2           HG       SER   2 -12.158  14.801  -6.504
   11    H    THR   3           HN       THR   3 -10.442  11.916  -4.439
   12    HA   THR   3           HA       THR   3 -11.770   9.976  -6.039
   13    HB   THR   3           HB       THR   3  -8.920   9.866  -5.043
   14    HG1  THR   3           HG1      THR   3  -8.411  11.089  -6.888
   15   HG21  THR   3          HG21      THR   3  -8.512   8.626  -7.104
   16   HG22  THR   3          HG22      THR   3 -10.207   8.787  -7.555
   17   HG23  THR   3          HG23      THR   3  -9.758   7.827  -6.146
   18    H    ALA   4           HN       ALA   4 -12.458   7.998  -5.541
   19    HA   ALA   4           HA       ALA   4 -11.359   6.384  -3.464
   20    HB1  ALA   4           HB1      ALA   4 -12.733   7.902  -2.072
   21    HB2  ALA   4           HB2      ALA   4 -13.318   6.239  -2.021
   22    HB3  ALA   4           HB3      ALA   4 -14.160   7.441  -3.002
   23    H    THR   5           HN       THR   5 -14.293   7.007  -5.372
   24    HA   THR   5           HA       THR   5 -15.275   4.495  -5.786
   25    HB   THR   5           HB       THR   5 -15.011   6.543  -7.986
   26    HG1  THR   5           HG1      THR   5 -16.353   7.771  -6.898
   27   HG21  THR   5          HG21      THR   5 -15.952   4.372  -8.664
   28   HG22  THR   5          HG22      THR   5 -17.166   5.649  -8.727
   29   HG23  THR   5          HG23      THR   5 -17.161   4.502  -7.387
   30    H    LEU   6           HN       LEU   6 -12.370   5.821  -7.061
   31    HA   LEU   6           HA       LEU   6 -11.738   4.036  -9.076
   32    HB2  LEU   6           HB2      LEU   6 -10.368   5.949  -8.716
   33    HB3  LEU   6           HB1      LEU   6 -10.046   5.484  -7.058
   34    HG   LEU   6           HG       LEU   6  -8.656   3.638  -7.805
   35   HD11  LEU   6          HD11      LEU   6  -9.829   3.103  -9.887
   36   HD12  LEU   6          HD12      LEU   6  -8.106   3.349 -10.170
   37   HD13  LEU   6          HD13      LEU   6  -9.260   4.611 -10.600
   38   HD21  LEU   6          HD21      LEU   6  -6.825   4.942  -8.706
   39   HD22  LEU   6          HD22      LEU   6  -7.694   5.883  -7.490
   40   HD23  LEU   6          HD23      LEU   6  -7.942   6.214  -9.203
   41    H    LEU   7           HN       LEU   7 -10.446   3.810  -5.755
   42    HA   LEU   7           HA       LEU   7  -9.898   1.009  -6.194
   43    HB2  LEU   7           HB2      LEU   7  -8.830   3.034  -4.573
   44    HB3  LEU   7           HB1      LEU   7  -9.536   1.859  -3.474
   45    HG   LEU   7           HG       LEU   7  -7.141   1.416  -3.953
   46   HD11  LEU   7          HD11      LEU   7  -7.443  -0.964  -4.227
   47   HD12  LEU   7          HD12      LEU   7  -9.047  -0.709  -4.927
   48   HD13  LEU   7          HD13      LEU   7  -8.751  -0.310  -3.235
   49   HD21  LEU   7          HD21      LEU   7  -7.269   2.136  -6.359
   50   HD22  LEU   7          HD22      LEU   7  -8.104   0.618  -6.696
   51   HD23  LEU   7          HD23      LEU   7  -6.450   0.597  -6.086
   52    H    THR   8           HN       THR   8 -12.153   2.948  -4.430
   53    HA   THR   8           HA       THR   8 -13.154   1.088  -2.607
   54    HB   THR   8           HB       THR   8 -14.365   3.476  -3.944
   55    HG1  THR   8           HG1      THR   8 -12.823   3.967  -2.425
   56   HG21  THR   8          HG21      THR   8 -15.643   1.809  -1.777
   57   HG22  THR   8          HG22      THR   8 -16.242   2.011  -3.421
   58   HG23  THR   8          HG23      THR   8 -16.214   3.386  -2.316
   59    H    SER   9           HN       SER   9 -13.850   1.544  -6.005
   60    HA   SER   9           HA       SER   9 -16.125  -0.129  -6.159
   61    HB2  SER   9           HB2      SER   9 -15.689   1.408  -7.944
   62    HB3  SER   9           HB1      SER   9 -14.080   0.744  -8.213
   63    HG   SER   9           HG       SER   9 -16.610  -0.343  -8.849
   64    H    LYS  10           HN       LYS  10 -12.697  -0.727  -6.049
   65    HA   LYS  10           HA       LYS  10 -12.792  -3.491  -6.735
   66    HB2  LYS  10           HB2      LYS  10 -10.736  -1.839  -6.543
   67    HB3  LYS  10           HB1      LYS  10 -10.760  -2.315  -4.851
   68    HG2  LYS  10           HG2      LYS  10  -9.765  -3.756  -7.188
   69    HG3  LYS  10           HG1      LYS  10  -9.345  -3.917  -5.492
   70    HD2  LYS  10           HD2      LYS  10 -10.292  -5.947  -5.811
   71    HD3  LYS  10           HD1      LYS  10 -11.744  -5.033  -5.409
   72    HE2  LYS  10           HE2      LYS  10 -12.357  -6.243  -7.288
   73    HE3  LYS  10           HE1      LYS  10 -11.954  -4.656  -7.936
   74    HZ1  LYS  10           HZ1      LYS  10 -10.148  -7.011  -7.939
   75    HZ2  LYS  10           HZ2      LYS  10  -9.789  -5.486  -8.579
   76    HZ3  LYS  10           HZ3      LYS  10 -11.008  -6.428  -9.273
   77    H    LEU  11           HN       LEU  11 -12.414  -1.834  -3.607
   78    HA   LEU  11           HA       LEU  11 -12.484  -4.151  -2.047
   79    HB2  LEU  11           HB2      LEU  11 -13.313  -1.380  -1.215
   80    HB3  LEU  11           HB1      LEU  11 -12.965  -2.702  -0.130
   81    HG   LEU  11           HG       LEU  11 -10.984  -1.578  -0.022
   82   HD11  LEU  11          HD11      LEU  11 -10.557  -3.236  -2.495
   83   HD12  LEU  11          HD12      LEU  11 -10.601  -3.869  -0.846
   84   HD13  LEU  11          HD13      LEU  11  -9.327  -2.740  -1.325
   85   HD21  LEU  11          HD21      LEU  11 -11.765   0.102  -1.754
   86   HD22  LEU  11          HD22      LEU  11 -11.011  -0.949  -2.963
   87   HD23  LEU  11          HD23      LEU  11 -10.031  -0.217  -1.687
   88    H    ALA  12           HN       ALA  12 -15.053  -2.241  -3.348
   89    HA   ALA  12           HA       ALA  12 -17.234  -3.051  -1.862
   90    HB1  ALA  12           HB1      ALA  12 -18.551  -2.638  -3.886
   91    HB2  ALA  12           HB2      ALA  12 -17.075  -2.671  -4.855
   92    HB3  ALA  12           HB3      ALA  12 -17.323  -1.391  -3.664
   93    H    GLY  13           HN       GLY  13 -15.389  -4.806  -4.251
   94    HA2  GLY  13           HA2      GLY  13 -17.315  -6.972  -4.415
   95    HA3  GLY  13           HA1      GLY  13 -15.794  -6.840  -5.289
   96    H    LEU  14           HN       LEU  14 -14.829  -6.165  -2.296
   97    HA   LEU  14           HA       LEU  14 -14.178  -8.975  -1.751
   98    HB2  LEU  14           HB2      LEU  14 -12.765  -6.442  -1.062
   99    HB3  LEU  14           HB1      LEU  14 -12.309  -7.970  -0.410
  100    HG   LEU  14           HG       LEU  14 -10.837  -7.948  -2.077
  101   HD11  LEU  14          HD11      LEU  14 -12.325  -9.780  -2.639
  102   HD12  LEU  14          HD12      LEU  14 -11.597  -9.069  -4.085
  103   HD13  LEU  14          HD13      LEU  14 -13.273  -8.698  -3.665
  104   HD21  LEU  14          HD21      LEU  14 -11.305  -5.673  -2.629
  105   HD22  LEU  14          HD22      LEU  14 -12.721  -6.155  -3.565
  106   HD23  LEU  14          HD23      LEU  14 -11.106  -6.612  -4.109
  107    H    THR  15           HN       THR  15 -13.654  -9.436   0.459
  108    HA   THR  15           HA       THR  15 -15.285  -8.032   2.445
  109    HB   THR  15           HB       THR  15 -14.936  -9.983   3.840
  110    HG1  THR  15           HG1      THR  15 -13.594 -11.733   2.949
  111   HG21  THR  15          HG21      THR  15 -16.647 -10.216   2.099
  112   HG22  THR  15          HG22      THR  15 -15.865 -11.764   2.416
  113   HG23  THR  15          HG23      THR  15 -15.428 -10.830   0.980
  114    H    ALA  16           HN       ALA  16 -13.981  -7.777   4.630
  115    HA   ALA  16           HA       ALA  16 -11.955  -5.952   4.218
  116    HB1  ALA  16           HB1      ALA  16 -11.387  -6.215   6.576
  117    HB2  ALA  16           HB2      ALA  16 -12.282  -7.734   6.632
  118    HB3  ALA  16           HB3      ALA  16 -13.135  -6.219   6.346
  119    H    THR  17           HN       THR  17 -11.683  -9.430   4.515
  120    HA   THR  17           HA       THR  17  -8.835  -9.425   4.734
  121    HB   THR  17           HB       THR  17 -10.786 -11.668   4.191
  122    HG1  THR  17           HG1      THR  17 -11.121 -11.337   6.262
  123   HG21  THR  17          HG21      THR  17  -8.553 -12.189   3.349
  124   HG22  THR  17          HG22      THR  17  -8.957 -13.175   4.756
  125   HG23  THR  17          HG23      THR  17  -7.866 -11.798   4.924
  126    H    GLU  18           HN       GLU  18 -11.118  -9.816   2.017
  127    HA   GLU  18           HA       GLU  18  -8.969 -10.363   0.218
  128    HB2  GLU  18           HB2      GLU  18 -11.835  -9.617  -0.257
  129    HB3  GLU  18           HB1      GLU  18 -10.705 -10.177  -1.469
  130    HG2  GLU  18           HG2      GLU  18 -10.520 -12.301  -0.305
  131    HG3  GLU  18           HG1      GLU  18 -11.644 -11.719   0.917
  132    H    GLN  19           HN       GLN  19 -10.721  -7.593   1.368
  133    HA   GLN  19           HA       GLN  19  -9.857  -5.701  -0.521
  134    HB2  GLN  19           HB2      GLN  19 -10.573  -5.418   2.391
  135    HB3  GLN  19           HB1      GLN  19 -10.385  -4.069   1.282
  136    HG2  GLN  19           HG2      GLN  19 -12.211  -4.836  -0.035
  137    HG3  GLN  19           HG1      GLN  19 -12.335  -6.305   0.909
  138   HE21  GLN  19          HE21      GLN  19 -14.370  -4.401   0.383
  139   HE22  GLN  19          HE22      GLN  19 -14.877  -3.772   1.915
  140    H    ARG  20           HN       ARG  20  -8.564  -6.667   2.628
  141    HA   ARG  20           HA       ARG  20  -6.249  -5.102   2.548
  142    HB2  ARG  20           HB2      ARG  20  -5.402  -6.489   4.260
  143    HB3  ARG  20           HB1      ARG  20  -7.135  -6.346   4.493
  144    HG2  ARG  20           HG2      ARG  20  -7.461  -8.445   3.369
  145    HG3  ARG  20           HG1      ARG  20  -5.711  -8.610   3.241
  146    HD2  ARG  20           HD2      ARG  20  -7.283  -8.425   5.795
  147    HD3  ARG  20           HD1      ARG  20  -6.547  -9.888   5.148
  148    HE   ARG  20           HE       ARG  20  -4.439  -8.243   5.357
  149   HH11  ARG  20          HH11      ARG  20  -6.975  -9.085   7.618
  150   HH12  ARG  20          HH12      ARG  20  -5.976  -8.866   9.018
  151   HH21  ARG  20          HH21      ARG  20  -3.134  -7.911   7.194
  152   HH22  ARG  20          HH22      ARG  20  -3.788  -8.181   8.775
  153    H    ALA  21           HN       ALA  21  -7.067  -8.129   1.129
  154    HA   ALA  21           HA       ALA  21  -4.460  -8.911   0.347
  155    HB1  ALA  21           HB1      ALA  21  -6.324 -10.485   0.567
  156    HB2  ALA  21           HB2      ALA  21  -5.549 -10.588  -1.015
  157    HB3  ALA  21           HB3      ALA  21  -7.093  -9.751  -0.840
  158    H    VAL  22           HN       VAL  22  -7.026  -7.203  -1.397
  159    HA   VAL  22           HA       VAL  22  -5.748  -7.387  -3.907
  160    HB   VAL  22           HB       VAL  22  -7.284  -5.514  -4.621
  161   HG11  VAL  22          HG11      VAL  22  -7.817  -7.946  -4.786
  162   HG12  VAL  22          HG12      VAL  22  -9.227  -6.896  -4.653
  163   HG13  VAL  22          HG13      VAL  22  -8.669  -7.809  -3.244
  164   HG21  VAL  22          HG21      VAL  22  -8.287  -5.811  -1.789
  165   HG22  VAL  22          HG22      VAL  22  -9.114  -4.934  -3.077
  166   HG23  VAL  22          HG23      VAL  22  -7.545  -4.377  -2.498
  167    H    THR  23           HN       THR  23  -5.665  -4.759  -1.475
  168    HA   THR  23           HA       THR  23  -3.715  -3.470  -3.198
  169    HB   THR  23           HB       THR  23  -5.129  -1.927  -2.273
  170    HG1  THR  23           HG1      THR  23  -3.146  -1.286  -0.543
  171   HG21  THR  23          HG21      THR  23  -4.382  -2.810   0.483
  172   HG22  THR  23          HG22      THR  23  -5.890  -3.246  -0.315
  173   HG23  THR  23          HG23      THR  23  -5.544  -1.555   0.063
  174    H    ARG  24           HN       ARG  24  -3.660  -5.717  -0.631
  175    HA   ARG  24           HA       ARG  24  -0.969  -5.303   0.148
  176    HB2  ARG  24           HB2      ARG  24  -2.364  -6.977   1.255
  177    HB3  ARG  24           HB1      ARG  24  -2.522  -7.870  -0.247
  178    HG2  ARG  24           HG2      ARG  24   0.109  -7.918  -0.073
  179    HG3  ARG  24           HG1      ARG  24  -0.252  -7.724   1.645
  180    HD2  ARG  24           HD2      ARG  24  -1.776  -9.655   1.497
  181    HD3  ARG  24           HD1      ARG  24  -1.307  -9.855  -0.188
  182    HE   ARG  24           HE       ARG  24   1.055 -10.035   0.942
  183   HH11  ARG  24          HH11      ARG  24  -1.982 -11.422   1.979
  184   HH12  ARG  24          HH12      ARG  24  -1.243 -12.806   2.717
  185   HH21  ARG  24          HH21      ARG  24   2.033 -11.842   1.919
  186   HH22  ARG  24          HH22      ARG  24   1.042 -13.039   2.697
  187    H    LYS  25           HN       LYS  25  -2.513  -6.123  -2.722
  188    HA   LYS  25           HA       LYS  25  -0.092  -6.941  -4.061
  189    HB2  LYS  25           HB2      LYS  25  -1.763  -8.227  -4.914
  190    HB3  LYS  25           HB1      LYS  25  -3.005  -7.063  -4.529
  191    HG2  LYS  25           HG2      LYS  25  -2.865  -7.427  -6.912
  192    HG3  LYS  25           HG1      LYS  25  -2.443  -5.771  -6.491
  193    HD2  LYS  25           HD2      LYS  25  -0.040  -6.398  -6.669
  194    HD3  LYS  25           HD1      LYS  25  -0.537  -8.006  -7.202
  195    HE2  LYS  25           HE2      LYS  25  -1.614  -7.071  -9.149
  196    HE3  LYS  25           HE1      LYS  25  -1.277  -5.435  -8.592
  197    HZ1  LYS  25           HZ1      LYS  25   0.252  -6.325 -10.339
  198    HZ2  LYS  25           HZ2      LYS  25   0.860  -7.400  -9.184
  199    HZ3  LYS  25           HZ3      LYS  25   1.019  -5.729  -8.957
  200    H    LEU  26           HN       LEU  26  -2.429  -4.224  -3.859
  201    HA   LEU  26           HA       LEU  26  -1.261  -2.744  -5.963
  202    HB2  LEU  26           HB2      LEU  26  -3.539  -2.371  -5.357
  203    HB3  LEU  26           HB1      LEU  26  -3.089  -1.951  -3.721
  204    HG   LEU  26           HG       LEU  26  -3.777  -0.077  -5.313
  205   HD11  LEU  26          HD11      LEU  26  -2.719   0.067  -3.058
  206   HD12  LEU  26          HD12      LEU  26  -2.477   1.459  -4.120
  207   HD13  LEU  26          HD13      LEU  26  -1.179   0.286  -3.891
  208   HD21  LEU  26          HD21      LEU  26  -0.958  -0.465  -6.250
  209   HD22  LEU  26          HD22      LEU  26  -2.006   0.902  -6.643
  210   HD23  LEU  26          HD23      LEU  26  -2.413  -0.719  -7.211
  211    H    VAL  27           HN       VAL  27  -0.991  -2.261  -2.390
  212    HA   VAL  27           HA       VAL  27   0.834  -0.158  -2.529
  213    HB   VAL  27           HB       VAL  27  -0.125  -0.669  -0.375
  214   HG11  VAL  27          HG11      VAL  27   0.634  -2.700   0.882
  215   HG12  VAL  27          HG12      VAL  27   1.282  -3.311  -0.643
  216   HG13  VAL  27          HG13      VAL  27  -0.445  -3.015  -0.477
  217   HG21  VAL  27          HG21      VAL  27   2.840  -1.251  -0.310
  218   HG22  VAL  27          HG22      VAL  27   1.860  -0.681   1.043
  219   HG23  VAL  27          HG23      VAL  27   2.108   0.356  -0.363
  220    H    LEU  28           HN       LEU  28   1.220  -3.555  -2.658
  221    HA   LEU  28           HA       LEU  28   3.989  -3.835  -2.668
  222    HB2  LEU  28           HB2      LEU  28   1.904  -5.495  -2.665
  223    HB3  LEU  28           HB1      LEU  28   2.265  -5.546  -4.374
  224    HG   LEU  28           HG       LEU  28   4.434  -6.472  -3.963
  225   HD11  LEU  28          HD11      LEU  28   5.133  -6.963  -1.630
  226   HD12  LEU  28          HD12      LEU  28   3.785  -5.956  -1.077
  227   HD13  LEU  28          HD13      LEU  28   5.085  -5.246  -2.034
  228   HD21  LEU  28          HD21      LEU  28   2.216  -7.724  -2.353
  229   HD22  LEU  28          HD22      LEU  28   3.760  -8.526  -2.672
  230   HD23  LEU  28          HD23      LEU  28   2.694  -8.099  -4.013
  231    H    ASP  29           HN       ASP  29   1.676  -3.424  -5.258
  232    HA   ASP  29           HA       ASP  29   3.511  -3.683  -7.401
  233    HB2  ASP  29           HB2      ASP  29   0.968  -3.947  -7.453
  234    HB3  ASP  29           HB1      ASP  29   0.896  -2.191  -7.492
  235    H    GLN  30           HN       GLN  30   2.081  -0.949  -5.699
  236    HA   GLN  30           HA       GLN  30   3.267   1.112  -7.151
  237    HB2  GLN  30           HB2      GLN  30   2.638   1.001  -4.224
  238    HB3  GLN  30           HB1      GLN  30   2.831   2.456  -5.187
  239    HG2  GLN  30           HG2      GLN  30   0.636   0.408  -5.422
  240    HG3  GLN  30           HG1      GLN  30   0.514   2.064  -4.840
  241   HE21  GLN  30          HE21      GLN  30   0.867   0.020  -7.604
  242   HE22  GLN  30          HE22      GLN  30   0.522   1.221  -8.802
  243    H    ALA  31           HN       ALA  31   4.312  -0.583  -4.257
  244    HA   ALA  31           HA       ALA  31   6.707   0.822  -3.785
  245    HB1  ALA  31           HB1      ALA  31   6.052  -2.064  -3.183
  246    HB2  ALA  31           HB2      ALA  31   5.591  -0.687  -2.174
  247    HB3  ALA  31           HB3      ALA  31   7.297  -1.083  -2.398
  248    H    ALA  32           HN       ALA  32   5.814  -1.754  -5.859
  249    HA   ALA  32           HA       ALA  32   8.394  -2.616  -6.616
  250    HB1  ALA  32           HB1      ALA  32   6.775  -4.164  -7.105
  251    HB2  ALA  32           HB2      ALA  32   6.896  -3.372  -8.679
  252    HB3  ALA  32           HB3      ALA  32   5.581  -2.941  -7.572
  253    H    SER  33           HN       SER  33   6.029  -0.368  -7.968
  254    HA   SER  33           HA       SER  33   7.453   0.355 -10.275
  255    HB2  SER  33           HB2      SER  33   5.132   0.915 -10.057
  256    HB3  SER  33           HB1      SER  33   5.431   1.820  -8.571
  257    HG   SER  33           HG       SER  33   6.246   2.481 -11.213
  258    H    VAL  34           HN       VAL  34   7.508   1.547  -6.981
  259    HA   VAL  34           HA       VAL  34   9.155   3.786  -7.292
  260    HB   VAL  34           HB       VAL  34   9.158   1.940  -4.919
  261   HG11  VAL  34          HG11      VAL  34   9.488   4.088  -3.692
  262   HG12  VAL  34          HG12      VAL  34   9.667   4.883  -5.256
  263   HG13  VAL  34          HG13      VAL  34  10.815   3.640  -4.763
  264   HG21  VAL  34          HG21      VAL  34   7.187   4.104  -5.562
  265   HG22  VAL  34          HG22      VAL  34   7.307   3.226  -4.037
  266   HG23  VAL  34          HG23      VAL  34   6.885   2.367  -5.513
  267    H    LEU  35           HN       LEU  35   9.829   0.547  -6.152
  268    HA   LEU  35           HA       LEU  35  12.558   0.936  -5.795
  269    HB2  LEU  35           HB2      LEU  35  10.579  -1.150  -5.598
  270    HB3  LEU  35           HB1      LEU  35  12.177  -1.768  -5.986
  271    HG   LEU  35           HG       LEU  35  12.990  -1.289  -3.900
  272   HD11  LEU  35          HD11      LEU  35  12.124   0.522  -2.440
  273   HD12  LEU  35          HD12      LEU  35  11.020   0.997  -3.739
  274   HD13  LEU  35          HD13      LEU  35  12.766   1.120  -3.969
  275   HD21  LEU  35          HD21      LEU  35  11.024  -1.456  -2.262
  276   HD22  LEU  35          HD22      LEU  35  11.289  -2.769  -3.407
  277   HD23  LEU  35          HD23      LEU  35  10.030  -1.569  -3.720
  278    H    GLY  36           HN       GLY  36  10.770  -0.263  -8.582
  279    HA2  GLY  36           HA2      GLY  36  12.157   0.165 -10.681
  280    HA3  GLY  36           HA1      GLY  36  13.359  -0.812  -9.855
  281    H    TYR  37           HN       TYR  37  10.135  -1.708  -9.376
  282    HA   TYR  37           HA       TYR  37  10.706  -4.193 -10.833
  283    HB2  TYR  37           HB2      TYR  37   8.690  -3.760  -8.636
  284    HB3  TYR  37           HB1      TYR  37   9.315  -5.286  -9.225
  285    HD1  TYR  37           HD1      TYR  37   9.240  -4.299  -6.314
  286    HD2  TYR  37           HD2      TYR  37  12.218  -4.193  -9.331
  287    HE1  TYR  37           HE1      TYR  37  10.971  -4.260  -4.581
  288    HE2  TYR  37           HE2      TYR  37  13.959  -4.134  -7.632
  289    HH   TYR  37           HH       TYR  37  14.258  -3.551  -5.278
  290    H    ALA  38           HN       ALA  38   8.779  -5.343 -11.686
  291    HA   ALA  38           HA       ALA  38   6.703  -3.476 -12.633
  292    HB1  ALA  38           HB1      ALA  38   6.833  -4.418 -14.856
  293    HB2  ALA  38           HB2      ALA  38   8.093  -5.537 -14.334
  294    HB3  ALA  38           HB3      ALA  38   8.415  -3.803 -14.377
  295    H    SER  39           HN       SER  39   7.355  -6.246 -10.984
  296    HA   SER  39           HA       SER  39   4.644  -7.207 -11.255
  297    HB2  SER  39           HB2      SER  39   5.837  -8.349 -13.101
  298    HB3  SER  39           HB1      SER  39   6.998  -8.990 -11.944
  299    HG   SER  39           HG       SER  39   5.323 -10.169 -10.980
  300    H    THR  40           HN       THR  40   6.336  -5.996  -9.247
  301    HA   THR  40           HA       THR  40   7.112  -6.182  -7.120
  302    HB   THR  40           HB       THR  40   5.665  -7.453  -5.568
  303    HG1  THR  40           HG1      THR  40   5.064  -8.842  -7.786
  304   HG21  THR  40          HG21      THR  40   5.015  -5.217  -6.176
  305   HG22  THR  40          HG22      THR  40   3.567  -6.226  -6.116
  306   HG23  THR  40          HG23      THR  40   4.281  -5.799  -7.672
  307    H    GLU  41           HN       GLU  41   8.579  -7.704  -8.895
  308    HA   GLU  41           HA       GLU  41   8.829 -10.414  -8.266
  309    HB2  GLU  41           HB2      GLU  41  11.085 -10.181  -9.420
  310    HB3  GLU  41           HB1      GLU  41   9.659  -9.731 -10.342
  311    HG2  GLU  41           HG2      GLU  41  11.019  -7.570  -8.854
  312    HG3  GLU  41           HG1      GLU  41  11.855  -8.236 -10.256
  313    H    SER  42           HN       SER  42  10.543  -7.629  -6.902
  314    HA   SER  42           HA       SER  42  11.994  -9.524  -5.186
  315    HB2  SER  42           HB2      SER  42  12.907  -6.744  -5.942
  316    HB3  SER  42           HB1      SER  42  13.846  -7.993  -5.121
  317    HG   SER  42           HG       SER  42  14.117  -7.670  -7.515
  318    H    LEU  43           HN       LEU  43   9.401  -8.530  -4.584
  319    HA   LEU  43           HA       LEU  43   9.972  -6.824  -2.268
  320    HB2  LEU  43           HB2      LEU  43   7.457  -7.365  -3.807
  321    HB3  LEU  43           HB1      LEU  43   7.488  -6.467  -2.299
  322    HG   LEU  43           HG       LEU  43   9.068  -5.659  -4.730
  323   HD11  LEU  43          HD11      LEU  43   6.706  -5.632  -5.247
  324   HD12  LEU  43          HD12      LEU  43   7.339  -3.992  -5.100
  325   HD13  LEU  43          HD13      LEU  43   6.384  -4.691  -3.793
  326   HD21  LEU  43          HD21      LEU  43   9.899  -4.811  -2.621
  327   HD22  LEU  43          HD22      LEU  43   8.287  -4.225  -2.207
  328   HD23  LEU  43          HD23      LEU  43   9.163  -3.515  -3.562
  329    H    ASP  44           HN       ASP  44   8.318  -7.157  -0.491
  330    HA   ASP  44           HA       ASP  44   7.380  -9.875  -0.122
  331    HB2  ASP  44           HB2      ASP  44   9.816  -9.353   0.938
  332    HB3  ASP  44           HB1      ASP  44   8.794  -8.718   2.217
  333    H    THR  45           HN       THR  45   5.603  -9.925   1.274
  334    HA   THR  45           HA       THR  45   4.634  -7.293   2.107
  335    HB   THR  45           HB       THR  45   2.479  -8.595   2.553
  336    HG1  THR  45           HG1      THR  45   3.406 -10.469   0.681
  337   HG21  THR  45          HG21      THR  45   1.862  -8.569   0.164
  338   HG22  THR  45          HG22      THR  45   3.561  -8.331  -0.245
  339   HG23  THR  45          HG23      THR  45   2.694  -7.106   0.679
  340    H    HIS  46           HN       HIS  46   6.236  -9.948   3.322
  341    HA   HIS  46           HA       HIS  46   5.107  -9.634   6.014
  342    HB2  HIS  46           HB2      HIS  46   7.100 -11.679   5.001
  343    HB3  HIS  46           HB1      HIS  46   6.367 -11.656   6.594
  344    HD1  HIS  46           HD1      HIS  46   4.675 -13.444   6.760
  345    HD2  HIS  46           HD2      HIS  46   4.756 -11.728   2.987
  346    HE1  HIS  46           HE1      HIS  46   2.943 -14.681   5.425
  347    HE2  HIS  46           HE2      HIS  46   3.161 -13.765   3.090
  348    H    GLU  47           HN       GLU  47   7.463  -8.326   4.129
  349    HA   GLU  47           HA       GLU  47   9.230  -7.848   6.424
  350    HB2  GLU  47           HB2      GLU  47  11.038  -8.383   5.221
  351    HB3  GLU  47           HB1      GLU  47   9.925  -9.136   4.098
  352    HG2  GLU  47           HG2      GLU  47   9.871  -7.011   2.809
  353    HG3  GLU  47           HG1      GLU  47  11.108  -6.374   3.903
  354    H    SER  48           HN       SER  48  10.191  -5.733   6.498
  355    HA   SER  48           HA       SER  48   8.071  -3.848   5.921
  356    HB2  SER  48           HB2      SER  48  10.614  -3.215   7.399
  357    HB3  SER  48           HB1      SER  48   9.015  -2.499   7.582
  358    HG   SER  48           HG       SER  48   8.431  -4.803   8.205
  359    H    PHE  49           HN       PHE  49   8.297  -1.924   4.864
  360    HA   PHE  49           HA       PHE  49   9.670  -1.830   2.484
  361    HB2  PHE  49           HB2      PHE  49   8.711   0.501   4.134
  362    HB3  PHE  49           HB1      PHE  49   9.163   0.586   2.437
  363    HD1  PHE  49           HD1      PHE  49   7.724  -0.322   0.726
  364    HD2  PHE  49           HD2      PHE  49   6.681  -0.569   4.836
  365    HE1  PHE  49           HE1      PHE  49   5.408  -0.869   0.104
  366    HE2  PHE  49           HE2      PHE  49   4.377  -1.112   4.225
  367    HZ   PHE  49           HZ       PHE  49   3.732  -1.263   1.865
  368    H    LYS  50           HN       LYS  50  10.727  -0.746   5.607
  369    HA   LYS  50           HA       LYS  50  13.042   0.567   5.151
  370    HB2  LYS  50           HB2      LYS  50  12.025  -0.305   7.329
  371    HB3  LYS  50           HB1      LYS  50  12.888  -1.796   6.999
  372    HG2  LYS  50           HG2      LYS  50  14.108  -0.405   8.551
  373    HG3  LYS  50           HG1      LYS  50  15.003  -0.618   7.050
  374    HD2  LYS  50           HD2      LYS  50  15.163   1.686   7.805
  375    HD3  LYS  50           HD1      LYS  50  14.241   1.603   6.305
  376    HE2  LYS  50           HE2      LYS  50  13.179   3.133   7.858
  377    HE3  LYS  50           HE1      LYS  50  12.154   1.724   7.600
  378    HZ1  LYS  50           HZ1      LYS  50  13.913   2.202   9.943
  379    HZ2  LYS  50           HZ2      LYS  50  12.988   0.811   9.694
  380    HZ3  LYS  50           HZ3      LYS  50  12.224   2.300   9.923
  381    H    ASP  51           HN       ASP  51  12.648  -2.934   5.131
  382    HA   ASP  51           HA       ASP  51  15.289  -3.478   4.232
  383    HB2  ASP  51           HB2      ASP  51  13.782  -5.065   5.495
  384    HB3  ASP  51           HB1      ASP  51  12.923  -5.313   3.981
  385    H    LEU  52           HN       LEU  52  12.286  -2.815   2.659
  386    HA   LEU  52           HA       LEU  52  12.941  -3.802   0.082
  387    HB2  LEU  52           HB2      LEU  52  10.882  -1.920   1.156
  388    HB3  LEU  52           HB1      LEU  52  11.067  -2.118  -0.559
  389    HG   LEU  52           HG       LEU  52  10.528  -4.508  -0.360
  390   HD11  LEU  52          HD11      LEU  52   9.635  -5.342   1.777
  391   HD12  LEU  52          HD12      LEU  52  10.188  -3.856   2.548
  392   HD13  LEU  52          HD13      LEU  52  11.357  -4.970   1.838
  393   HD21  LEU  52          HD21      LEU  52   8.185  -4.287   0.331
  394   HD22  LEU  52          HD22      LEU  52   8.696  -2.996  -0.763
  395   HD23  LEU  52          HD23      LEU  52   8.542  -2.681   0.966
  396    H    GLY  53           HN       GLY  53  13.766  -1.035   1.877
  397    HA2  GLY  53           HA2      GLY  53  15.730   0.138   1.210
  398    HA3  GLY  53           HA1      GLY  53  15.229  -0.028  -0.459
  399    H    PHE  54           HN       PHE  54  12.616   0.803   1.565
  400    HA   PHE  54           HA       PHE  54  12.498   3.367   0.338
  401    HB2  PHE  54           HB2      PHE  54  10.738   2.039   2.401
  402    HB3  PHE  54           HB1      PHE  54  10.435   3.643   1.744
  403    HD1  PHE  54           HD1      PHE  54   9.645   3.949  -0.487
  404    HD2  PHE  54           HD2      PHE  54  10.604   0.085   0.984
  405    HE1  PHE  54           HE1      PHE  54   8.476   2.949  -2.391
  406    HE2  PHE  54           HE2      PHE  54   9.453  -0.939  -0.910
  407    HZ   PHE  54           HZ       PHE  54   8.484   0.541  -2.716
  408    H    ASP  55           HN       ASP  55  12.183   5.376   1.460
  409    HA   ASP  55           HA       ASP  55  13.250   5.824   4.056
  410    HB2  ASP  55           HB2      ASP  55  15.308   5.287   2.548
  411    HB3  ASP  55           HB1      ASP  55  15.002   6.868   1.836
  412    H    SER  56           HN       SER  56  14.210   8.480   3.511
  413    HA   SER  56           HA       SER  56  11.687   9.829   3.264
  414    HB2  SER  56           HB2      SER  56  13.160  11.883   3.587
  415    HB3  SER  56           HB1      SER  56  13.208  10.688   4.883
  416    HG   SER  56           HG       SER  56  15.149   9.876   3.953
  417    H    LEU  57           HN       LEU  57  12.425   8.472   0.929
  418    HA   LEU  57           HA       LEU  57  12.401  10.601  -1.048
  419    HB2  LEU  57           HB2      LEU  57  14.098   8.134  -1.235
  420    HB3  LEU  57           HB1      LEU  57  14.039   9.437  -2.403
  421    HG   LEU  57           HG       LEU  57  15.018   9.769   0.423
  422   HD11  LEU  57          HD11      LEU  57  17.282   9.684  -0.513
  423   HD12  LEU  57          HD12      LEU  57  16.610   9.250  -2.084
  424   HD13  LEU  57          HD13      LEU  57  16.427   8.155  -0.714
  425   HD21  LEU  57          HD21      LEU  57  14.289  11.817  -0.650
  426   HD22  LEU  57          HD22      LEU  57  15.306  11.472  -2.050
  427   HD23  LEU  57          HD23      LEU  57  16.045  11.807  -0.484
  428    H    THR  58           HN       THR  58  12.672   7.089  -0.974
  429    HA   THR  58           HA       THR  58  10.874   6.720  -3.127
  430    HB   THR  58           HB       THR  58  11.098   4.255  -2.310
  431    HG1  THR  58           HG1      THR  58  13.421   4.610  -1.114
  432   HG21  THR  58          HG21      THR  58  12.266   5.194  -4.248
  433   HG22  THR  58          HG22      THR  58  13.305   4.090  -3.347
  434   HG23  THR  58          HG23      THR  58  13.517   5.833  -3.185
  435    H    ALA  59           HN       ALA  59  10.598   6.278   0.376
  436    HA   ALA  59           HA       ALA  59   8.065   5.157   0.465
  437    HB1  ALA  59           HB1      ALA  59   7.922   5.985   2.733
  438    HB2  ALA  59           HB2      ALA  59   9.173   7.189   2.413
  439    HB3  ALA  59           HB3      ALA  59   9.586   5.476   2.426
  440    H    LEU  60           HN       LEU  60   9.139   8.432  -0.015
  441    HA   LEU  60           HA       LEU  60   6.670   9.724   0.370
  442    HB2  LEU  60           HB2      LEU  60   9.150  10.490  -1.153
  443    HB3  LEU  60           HB1      LEU  60   7.770  11.562  -0.993
  444    HG   LEU  60           HG       LEU  60   9.560  12.110   0.616
  445   HD11  LEU  60          HD11      LEU  60   7.101  11.001   1.939
  446   HD12  LEU  60          HD12      LEU  60   7.234  12.592   1.189
  447   HD13  LEU  60          HD13      LEU  60   8.201  12.199   2.612
  448   HD21  LEU  60          HD21      LEU  60   8.988   9.377   1.738
  449   HD22  LEU  60          HD22      LEU  60   9.975  10.615   2.515
  450   HD23  LEU  60          HD23      LEU  60  10.495   9.906   0.986
  451    H    GLU  61           HN       GLU  61   8.297   8.605  -2.601
  452    HA   GLU  61           HA       GLU  61   6.067   9.384  -4.229
  453    HB2  GLU  61           HB2      GLU  61   7.230   7.828  -5.940
  454    HB3  GLU  61           HB1      GLU  61   8.037   9.321  -5.462
  455    HG2  GLU  61           HG2      GLU  61   9.401   8.033  -3.874
  456    HG3  GLU  61           HG1      GLU  61   8.618   6.558  -4.433
  457    H    LEU  62           HN       LEU  62   6.992   6.455  -2.544
  458    HA   LEU  62           HA       LEU  62   5.015   4.767  -3.694
  459    HB2  LEU  62           HB2      LEU  62   6.792   3.816  -2.379
  460    HB3  LEU  62           HB1      LEU  62   6.286   4.727  -0.971
  461    HG   LEU  62           HG       LEU  62   4.177   3.486  -0.910
  462   HD11  LEU  62          HD11      LEU  62   5.341   2.009  -3.248
  463   HD12  LEU  62          HD12      LEU  62   3.896   3.020  -3.239
  464   HD13  LEU  62          HD13      LEU  62   3.921   1.502  -2.336
  465   HD21  LEU  62          HD21      LEU  62   6.523   1.626  -1.072
  466   HD22  LEU  62          HD22      LEU  62   5.063   1.444  -0.095
  467   HD23  LEU  62          HD23      LEU  62   6.221   2.725   0.273
  468    H    ARG  63           HN       ARG  63   5.079   6.735  -0.769
  469    HA   ARG  63           HA       ARG  63   2.487   6.292   0.148
  470    HB2  ARG  63           HB2      ARG  63   3.981   7.455   1.564
  471    HB3  ARG  63           HB1      ARG  63   4.437   8.593   0.309
  472    HG2  ARG  63           HG2      ARG  63   1.636   8.596   1.323
  473    HG3  ARG  63           HG1      ARG  63   2.914   9.320   2.297
  474    HD2  ARG  63           HD2      ARG  63   2.148  10.063  -0.524
  475    HD3  ARG  63           HD1      ARG  63   1.846  11.005   0.929
  476    HE   ARG  63           HE       ARG  63   4.567  10.453  -0.085
  477   HH11  ARG  63          HH11      ARG  63   2.199  12.602   1.355
  478   HH12  ARG  63          HH12      ARG  63   3.225  13.995   1.267
  479   HH21  ARG  63          HH21      ARG  63   5.904  12.314  -0.224
  480   HH22  ARG  63          HH22      ARG  63   5.332  13.829   0.397
  481    H    ASP  64           HN       ASP  64   3.852   8.606  -2.123
  482    HA   ASP  64           HA       ASP  64   1.547   9.944  -2.881
  483    HB2  ASP  64           HB2      ASP  64   4.053  10.342  -3.471
  484    HB3  ASP  64           HB1      ASP  64   3.692   9.320  -4.857
  485    H    HIS  65           HN       HIS  65   2.975   6.945  -4.061
  486    HA   HIS  65           HA       HIS  65   1.239   6.462  -6.205
  487    HB2  HIS  65           HB2      HIS  65   2.802   4.600  -4.457
  488    HB3  HIS  65           HB1      HIS  65   1.887   4.057  -5.842
  489    HD1  HIS  65           HD1      HIS  65   2.896   6.708  -7.554
  490    HD2  HIS  65           HD2      HIS  65   5.139   3.824  -5.614
  491    HE1  HIS  65           HE1      HIS  65   5.171   6.734  -8.659
  492    HE2  HIS  65           HE2      HIS  65   6.464   4.913  -7.540
  493    H    LEU  66           HN       LEU  66   1.009   5.504  -2.768
  494    HA   LEU  66           HA       LEU  66  -1.161   3.735  -3.151
  495    HB2  LEU  66           HB2      LEU  66  -0.025   5.177  -0.804
  496    HB3  LEU  66           HB1      LEU  66  -1.520   4.290  -0.633
  497    HG   LEU  66           HG       LEU  66  -0.492   2.237  -0.783
  498   HD11  LEU  66          HD11      LEU  66   1.667   1.813  -1.845
  499   HD12  LEU  66          HD12      LEU  66   1.803   3.525  -2.249
  500   HD13  LEU  66          HD13      LEU  66   0.527   2.546  -2.971
  501   HD21  LEU  66          HD21      LEU  66   1.653   4.076   0.243
  502   HD22  LEU  66          HD22      LEU  66   1.617   2.329   0.483
  503   HD23  LEU  66          HD23      LEU  66   0.351   3.342   1.177
  504    H    GLN  67           HN       GLN  67  -0.994   7.144  -2.416
  505    HA   GLN  67           HA       GLN  67  -3.804   7.479  -1.949
  506    HB2  GLN  67           HB2      GLN  67  -1.912   9.647  -2.797
  507    HB3  GLN  67           HB1      GLN  67  -3.339   9.781  -1.774
  508    HG2  GLN  67           HG2      GLN  67  -2.289   8.823   0.042
  509    HG3  GLN  67           HG1      GLN  67  -1.051   8.079  -0.977
  510   HE21  GLN  67          HE21      GLN  67  -0.419  10.356  -2.491
  511   HE22  GLN  67          HE22      GLN  67   0.415  11.453  -1.468
  512    H    THR  68           HN       THR  68  -1.631   7.810  -4.680
  513    HA   THR  68           HA       THR  68  -3.477   8.826  -6.512
  514    HB   THR  68           HB       THR  68  -0.861   7.419  -6.530
  515    HG1  THR  68           HG1      THR  68  -0.599   9.545  -6.331
  516   HG21  THR  68          HG21      THR  68  -0.739   7.505  -8.978
  517   HG22  THR  68          HG22      THR  68  -2.434   7.987  -9.039
  518   HG23  THR  68          HG23      THR  68  -1.990   6.398  -8.417
  519    H    ALA  69           HN       ALA  69  -2.314   5.633  -5.778
  520    HA   ALA  69           HA       ALA  69  -3.880   4.087  -7.425
  521    HB1  ALA  69           HB1      ALA  69  -1.954   3.277  -6.223
  522    HB2  ALA  69           HB2      ALA  69  -3.364   2.273  -5.873
  523    HB3  ALA  69           HB3      ALA  69  -2.811   3.466  -4.695
  524    H    THR  70           HN       THR  70  -4.545   5.004  -4.041
  525    HA   THR  70           HA       THR  70  -7.087   3.572  -4.173
  526    HB   THR  70           HB       THR  70  -7.228   3.956  -1.765
  527    HG1  THR  70           HG1      THR  70  -4.710   5.255  -1.843
  528   HG21  THR  70          HG21      THR  70  -5.821   2.101  -2.601
  529   HG22  THR  70          HG22      THR  70  -5.254   2.742  -1.059
  530   HG23  THR  70          HG23      THR  70  -4.423   3.181  -2.553
  531    H    GLY  71           HN       GLY  71  -5.843   6.806  -3.900
  532    HA2  GLY  71           HA2      GLY  71  -7.003   8.774  -4.453
  533    HA3  GLY  71           HA1      GLY  71  -8.524   7.898  -4.305
  534    H    LEU  72           HN       LEU  72  -6.676   7.045  -1.757
  535    HA   LEU  72           HA       LEU  72  -8.326   8.691  -0.004
  536    HB2  LEU  72           HB2      LEU  72  -6.777   6.142   0.328
  537    HB3  LEU  72           HB1      LEU  72  -7.330   7.039   1.726
  538    HG   LEU  72           HG       LEU  72  -8.815   5.149   1.111
  539   HD11  LEU  72          HD11      LEU  72  -9.714   7.023   2.357
  540   HD12  LEU  72          HD12      LEU  72 -10.920   6.370   1.251
  541   HD13  LEU  72          HD13      LEU  72 -10.080   7.870   0.854
  542   HD21  LEU  72          HD21      LEU  72 -10.270   5.313  -0.831
  543   HD22  LEU  72          HD22      LEU  72  -8.578   5.215  -1.309
  544   HD23  LEU  72          HD23      LEU  72  -9.418   6.764  -1.358
  545    H    ASN  73           HN       ASN  73  -6.828   8.773   2.301
  546    HA   ASN  73           HA       ASN  73  -4.749  10.661   1.414
  547    HB2  ASN  73           HB2      ASN  73  -6.808  11.746   2.297
  548    HB3  ASN  73           HB1      ASN  73  -6.548  10.925   3.831
  549   HD21  ASN  73          HD21      ASN  73  -3.960  12.245   1.859
  550   HD22  ASN  73          HD22      ASN  73  -3.534  13.513   2.950
  551    H    LEU  74           HN       LEU  74  -2.966   9.410   1.716
  552    HA   LEU  74           HA       LEU  74  -2.588   8.154   4.313
  553    HB2  LEU  74           HB2      LEU  74  -1.045   7.848   1.743
  554    HB3  LEU  74           HB1      LEU  74  -0.673   7.016   3.244
  555    HG   LEU  74           HG       LEU  74  -3.151   6.166   3.032
  556   HD11  LEU  74          HD11      LEU  74  -3.877   5.817   0.745
  557   HD12  LEU  74          HD12      LEU  74  -2.459   6.679   0.138
  558   HD13  LEU  74          HD13      LEU  74  -3.693   7.546   1.052
  559   HD21  LEU  74          HD21      LEU  74  -2.275   4.265   1.660
  560   HD22  LEU  74          HD22      LEU  74  -1.336   4.671   3.094
  561   HD23  LEU  74          HD23      LEU  74  -0.774   5.172   1.499
  562    H    SER  75           HN       SER  75   0.406   8.236   4.139
  563    HA   SER  75           HA       SER  75   0.749  11.058   4.845
  564    HB2  SER  75           HB2      SER  75  -0.169   9.992   6.859
  565    HB3  SER  75           HB1      SER  75   1.131   8.805   6.828
  566    HG   SER  75           HG       SER  75   1.787  10.350   8.235
  567    H    SER  76           HN       SER  76   3.055  11.584   5.438
  568    HA   SER  76           HA       SER  76   4.743  10.661   3.407
  569    HB2  SER  76           HB2      SER  76   5.521  12.070   5.967
  570    HB3  SER  76           HB1      SER  76   6.494  11.975   4.498
  571    HG   SER  76           HG       SER  76   5.350  13.521   3.656
  572    H    THR  77           HN       THR  77   4.592   9.719   6.817
  573    HA   THR  77           HA       THR  77   6.806   7.822   6.410
  574    HB   THR  77           HB       THR  77   6.543   7.627   8.994
  575    HG1  THR  77           HG1      THR  77   4.769   8.789   9.481
  576   HG21  THR  77          HG21      THR  77   8.011   9.586   9.298
  577   HG22  THR  77          HG22      THR  77   7.588  10.129   7.673
  578   HG23  THR  77          HG23      THR  77   8.468   8.618   7.894
  579    H    LEU  78           HN       LEU  78   4.210   7.527   5.389
  580    HA   LEU  78           HA       LEU  78   2.344   6.046   6.741
  581    HB2  LEU  78           HB2      LEU  78   2.180   7.085   4.506
  582    HB3  LEU  78           HB1      LEU  78   3.206   5.828   3.875
  583    HG   LEU  78           HG       LEU  78   0.589   5.803   3.609
  584   HD11  LEU  78          HD11      LEU  78   0.749   3.341   3.362
  585   HD12  LEU  78          HD12      LEU  78   2.381   3.440   4.027
  586   HD13  LEU  78          HD13      LEU  78   1.988   4.269   2.506
  587   HD21  LEU  78          HD21      LEU  78   1.099   4.686   6.325
  588   HD22  LEU  78          HD22      LEU  78  -0.198   4.030   5.320
  589   HD23  LEU  78          HD23      LEU  78  -0.202   5.740   5.755
  590    H    ILE  79           HN       ILE  79   4.854   4.695   4.610
  591    HA   ILE  79           HA       ILE  79   4.299   1.993   5.407
  592    HB   ILE  79           HB       ILE  79   6.124   1.400   3.946
  593   HG12  ILE  79          HG12      ILE  79   6.734   4.345   3.991
  594   HG13  ILE  79          HG11      ILE  79   7.796   3.017   4.448
  595   HG21  ILE  79          HG21      ILE  79   4.040   1.934   2.868
  596   HG22  ILE  79          HG22      ILE  79   5.395   2.494   1.884
  597   HG23  ILE  79          HG23      ILE  79   4.462   3.650   2.841
  598   HD11  ILE  79          HD11      ILE  79   8.520   3.778   2.351
  599   HD12  ILE  79          HD12      ILE  79   6.874   3.815   1.722
  600   HD13  ILE  79          HD13      ILE  79   7.662   2.266   2.051
  601    H    PHE  80           HN       PHE  80   5.713   4.258   7.180
  602    HA   PHE  80           HA       PHE  80   7.544   2.320   8.411
  603    HB2  PHE  80           HB2      PHE  80   7.673   5.343   8.436
  604    HB3  PHE  80           HB1      PHE  80   8.753   4.287   9.339
  605    HD1  PHE  80           HD1      PHE  80   9.033   6.377   6.859
  606    HD2  PHE  80           HD2      PHE  80   9.262   2.156   7.378
  607    HE1  PHE  80           HE1      PHE  80  10.539   6.236   4.919
  608    HE2  PHE  80           HE2      PHE  80  10.759   1.999   5.437
  609    HZ   PHE  80           HZ       PHE  80  11.305   4.006   4.132
  610    H    ASP  81           HN       ASP  81   4.740   4.145   8.607
  611    HA   ASP  81           HA       ASP  81   4.356   3.865  11.446
  612    HB2  ASP  81           HB2      ASP  81   3.195   5.546   9.739
  613    HB3  ASP  81           HB1      ASP  81   2.119   4.183   9.517
  614    H    HIS  82           HN       HIS  82   3.563   2.358   8.453
  615    HA   HIS  82           HA       HIS  82   2.613  -0.053   9.818
  616    HB2  HIS  82           HB2      HIS  82   1.796   0.907   7.069
  617    HB3  HIS  82           HB1      HIS  82   1.077  -0.395   8.003
  618    HD1  HIS  82           HD1      HIS  82  -0.467   0.287  10.003
  619    HD2  HIS  82           HD2      HIS  82   0.966   3.463   7.730
  620    HE1  HIS  82           HE1      HIS  82  -1.757   2.299  10.769
  621    HE2  HIS  82           HE2      HIS  82  -0.697   4.235   9.563
  622    HA   PRO  83           HA       PRO  83   6.630  -0.900   8.385
  623    HB2  PRO  83           HB2      PRO  83   6.723  -3.565   9.061
  624    HB3  PRO  83           HB1      PRO  83   6.935  -2.237  10.209
  625    HG2  PRO  83           HG2      PRO  83   4.481  -3.850   9.605
  626    HG3  PRO  83           HG1      PRO  83   5.114  -3.319  11.177
  627    HD2  PRO  83           HD2      PRO  83   3.076  -2.039   9.987
  628    HD3  PRO  83           HD1      PRO  83   4.302  -1.159  10.906
  629    H    THR  84           HN       THR  84   4.077  -3.145   7.341
  630    HA   THR  84           HA       THR  84   5.759  -3.785   5.031
  631    HB   THR  84           HB       THR  84   4.700  -5.988   4.992
  632    HG1  THR  84           HG1      THR  84   3.650  -6.236   7.367
  633   HG21  THR  84          HG21      THR  84   6.802  -5.683   6.244
  634   HG22  THR  84          HG22      THR  84   5.789  -6.944   6.951
  635   HG23  THR  84          HG23      THR  84   5.870  -5.349   7.704
  636    HA   PRO  85           HA       PRO  85   2.442  -2.596   2.327
  637    HB2  PRO  85           HB2      PRO  85   2.758  -5.221   1.000
  638    HB3  PRO  85           HB1      PRO  85   2.884  -3.603   0.313
  639    HG2  PRO  85           HG2      PRO  85   5.046  -5.148   0.721
  640    HG3  PRO  85           HG1      PRO  85   5.097  -3.382   0.881
  641    HD2  PRO  85           HD2      PRO  85   5.056  -5.471   2.993
  642    HD3  PRO  85           HD1      PRO  85   5.850  -3.889   2.986
  643    H    HIS  86           HN       HIS  86   2.599  -5.463   4.105
  644    HA   HIS  86           HA       HIS  86  -0.118  -6.333   3.760
  645    HB2  HIS  86           HB2      HIS  86   1.176  -8.077   4.502
  646    HB3  HIS  86           HB1      HIS  86   2.225  -7.042   5.440
  647    HD1  HIS  86           HD1      HIS  86  -0.443  -9.470   5.810
  648    HD2  HIS  86           HD2      HIS  86   1.000  -6.241   7.994
  649    HE1  HIS  86           HE1      HIS  86  -1.310  -9.795   8.145
  650    HE2  HIS  86           HE2      HIS  86  -0.274  -7.931   9.487
  651    H    ALA  87           HN       ALA  87   1.719  -4.499   6.118
  652    HA   ALA  87           HA       ALA  87  -0.486  -4.003   7.870
  653    HB1  ALA  87           HB1      ALA  87   1.847  -4.065   8.660
  654    HB2  ALA  87           HB2      ALA  87   1.057  -2.539   9.052
  655    HB3  ALA  87           HB3      ALA  87   2.191  -2.621   7.704
  656    H    VAL  88           HN       VAL  88   0.783  -2.632   5.073
  657    HA   VAL  88           HA       VAL  88  -0.395  -0.012   5.478
  658    HB   VAL  88           HB       VAL  88   1.101  -1.259   3.192
  659   HG11  VAL  88          HG11      VAL  88  -0.023   1.511   3.441
  660   HG12  VAL  88          HG12      VAL  88  -0.441   0.283   2.246
  661   HG13  VAL  88          HG13      VAL  88   1.160   1.025   2.226
  662   HG21  VAL  88          HG21      VAL  88   2.864   0.344   3.795
  663   HG22  VAL  88          HG22      VAL  88   2.494  -0.777   5.107
  664   HG23  VAL  88          HG23      VAL  88   1.883   0.882   5.160
  665    H    ALA  89           HN       ALA  89  -0.831  -2.822   3.373
  666    HA   ALA  89           HA       ALA  89  -2.985  -1.782   1.922
  667    HB1  ALA  89           HB1      ALA  89  -1.840  -3.737   1.149
  668    HB2  ALA  89           HB2      ALA  89  -3.540  -4.129   1.400
  669    HB3  ALA  89           HB3      ALA  89  -2.329  -4.646   2.580
  670    H    GLU  90           HN       GLU  90  -2.906  -3.533   5.056
  671    HA   GLU  90           HA       GLU  90  -5.775  -3.591   5.212
  672    HB2  GLU  90           HB2      GLU  90  -5.375  -4.168   7.607
  673    HB3  GLU  90           HB1      GLU  90  -4.540  -5.221   6.469
  674    HG2  GLU  90           HG2      GLU  90  -2.472  -4.125   6.863
  675    HG3  GLU  90           HG1      GLU  90  -3.247  -2.877   7.831
  676    H    HIS  91           HN       HIS  91  -3.232  -1.409   6.113
  677    HA   HIS  91           HA       HIS  91  -4.729   0.402   7.622
  678    HB2  HIS  91           HB2      HIS  91  -2.380   0.617   7.721
  679    HB3  HIS  91           HB1      HIS  91  -2.233   0.691   5.961
  680    HD1  HIS  91           HD1      HIS  91  -3.632   2.784   8.831
  681    HD2  HIS  91           HD2      HIS  91  -2.209   3.163   4.945
  682    HE1  HIS  91           HE1      HIS  91  -3.540   5.259   8.391
  683    HE2  HIS  91           HE2      HIS  91  -2.523   5.479   6.098
  684    H    LEU  92           HN       LEU  92  -4.579  -0.245   4.240
  685    HA   LEU  92           HA       LEU  92  -5.730   2.236   3.442
  686    HB2  LEU  92           HB2      LEU  92  -4.956  -0.295   2.115
  687    HB3  LEU  92           HB1      LEU  92  -6.229   0.644   1.341
  688    HG   LEU  92           HG       LEU  92  -4.819   2.454   0.919
  689   HD11  LEU  92          HD11      LEU  92  -3.814   2.962   2.957
  690   HD12  LEU  92          HD12      LEU  92  -2.455   2.473   1.938
  691   HD13  LEU  92          HD13      LEU  92  -3.119   1.348   3.120
  692   HD21  LEU  92          HD21      LEU  92  -4.248   0.530  -0.455
  693   HD22  LEU  92          HD22      LEU  92  -3.056   0.028   0.745
  694   HD23  LEU  92          HD23      LEU  92  -2.836   1.538  -0.141
  695    H    LEU  93           HN       LEU  93  -6.917  -0.564   4.873
  696    HA   LEU  93           HA       LEU  93  -9.624  -0.434   3.893
  697    HB2  LEU  93           HB2      LEU  93  -8.382  -1.806   6.254
  698    HB3  LEU  93           HB1      LEU  93 -10.108  -1.827   5.969
  699    HG   LEU  93           HG       LEU  93  -9.914  -3.246   4.130
  700   HD11  LEU  93          HD11      LEU  93  -8.216  -2.047   2.886
  701   HD12  LEU  93          HD12      LEU  93  -7.788  -3.755   3.004
  702   HD13  LEU  93          HD13      LEU  93  -6.977  -2.564   4.031
  703   HD21  LEU  93          HD21      LEU  93  -9.367  -4.320   6.271
  704   HD22  LEU  93          HD22      LEU  93  -7.655  -4.019   5.963
  705   HD23  LEU  93          HD23      LEU  93  -8.568  -5.099   4.905
  706    H    GLU  94           HN       GLU  94  -7.735   0.829   6.453
  707    HA   GLU  94           HA       GLU  94  -9.651   1.897   8.175
  708    HB2  GLU  94           HB2      GLU  94  -6.879   2.727   7.371
  709    HB3  GLU  94           HB1      GLU  94  -7.781   3.620   8.598
  710    HG2  GLU  94           HG2      GLU  94  -7.007   0.710   8.712
  711    HG3  GLU  94           HG1      GLU  94  -6.223   2.027   9.583
  712    H    GLN  95           HN       GLN  95  -8.497   2.908   5.065
  713    HA   GLN  95           HA       GLN  95  -9.541   5.584   5.231
  714    HB2  GLN  95           HB2      GLN  95  -8.602   4.191   2.747
  715    HB3  GLN  95           HB1      GLN  95  -8.435   5.884   3.190
  716    HG2  GLN  95           HG2      GLN  95  -7.017   3.662   4.618
  717    HG3  GLN  95           HG1      GLN  95  -6.332   4.522   3.249
  718   HE21  GLN  95          HE21      GLN  95  -5.551   4.296   6.064
  719   HE22  GLN  95          HE22      GLN  95  -5.402   5.920   6.640
  720    H    ILE  96           HN       ILE  96 -10.580   2.481   4.237
  721    HA   ILE  96           HA       ILE  96 -12.233   3.208   2.057
  722    HB   ILE  96           HB       ILE  96 -12.118   0.700   3.708
  723   HG12  ILE  96          HG12      ILE  96 -10.007   1.479   2.688
  724   HG13  ILE  96          HG11      ILE  96 -10.540  -0.070   2.084
  725   HG21  ILE  96          HG21      ILE  96 -13.106   0.965   0.893
  726   HG22  ILE  96          HG22      ILE  96 -14.168   0.931   2.299
  727   HG23  ILE  96          HG23      ILE  96 -13.153  -0.462   1.927
  728   HD11  ILE  96          HD11      ILE  96  -9.629   1.516   0.372
  729   HD12  ILE  96          HD12      ILE  96 -11.050   2.528   0.662
  730   HD13  ILE  96          HD13      ILE  96 -11.244   0.895   0.023
  731    HA   PRO  97           HA       PRO  97 -15.778   4.649   4.102
  732    HB2  PRO  97           HB2      PRO  97 -17.502   4.579   2.069
  733    HB3  PRO  97           HB1      PRO  97 -16.078   5.630   2.032
  734    HG2  PRO  97           HG2      PRO  97 -16.429   2.909   0.824
  735    HG3  PRO  97           HG1      PRO  97 -15.823   4.381   0.057
  736    HD2  PRO  97           HD2      PRO  97 -14.175   2.497   1.023
  737    HD3  PRO  97           HD1      PRO  97 -13.774   4.213   1.082
  738    H    GLY  98           HN       GLY  98 -15.913   2.654   5.523
  739    HA2  GLY  98           HA2      GLY  98 -17.523   1.428   6.652
  740    HA3  GLY  98           HA1      GLY  98 -18.624   1.700   5.315
  741    H    ILE  99           HN       ILE  99 -17.501   0.554   3.214
  742    HA   ILE  99           HA       ILE  99 -18.006  -2.172   3.478
  743    HB   ILE  99           HB       ILE  99 -16.475  -2.214   1.297
  744   HG12  ILE  99          HG12      ILE  99 -17.417   0.587   1.055
  745   HG13  ILE  99          HG11      ILE  99 -15.992   0.318   2.050
  746   HG21  ILE  99          HG21      ILE  99 -18.841  -2.686   1.317
  747   HG22  ILE  99          HG22      ILE  99 -18.469  -1.577  -0.002
  748   HG23  ILE  99          HG23      ILE  99 -19.213  -0.970   1.477
  749   HD11  ILE  99          HD11      ILE  99 -16.329  -0.416  -0.845
  750   HD12  ILE  99          HD12      ILE  99 -14.925  -0.819   0.152
  751   HD13  ILE  99          HD13      ILE  99 -15.321   0.872  -0.169
  752    H    GLY 100           HN       GLY 100 -15.054  -0.407   3.963
  753    HA2  GLY 100           HA2      GLY 100 -13.539  -2.912   4.106
  754    HA3  GLY 100           HA1      GLY 100 -12.847  -1.311   3.874
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  -6.860  15.686  -1.285
    2    H2   GLY   1           HT2      GLY   1  -7.806  15.657  -2.686
    3    H3   GLY   1           HT3      GLY   1  -6.138  15.881  -2.800
    4    HA2  GLY   1           HA1      GLY   1  -6.702  13.638  -3.421
    5    HA3  GLY   1           HA2      GLY   1  -5.746  13.660  -1.947
    6    H    SER   2           HN       SER   2  -9.059  13.469  -3.177
    7    HA   SER   2           HA       SER   2  -9.677  11.537  -1.113
    8    HB2  SER   2           HB2      SER   2 -10.189  13.787  -0.098
    9    HB3  SER   2           HB1      SER   2 -11.391  14.021  -1.366
   10    HG   SER   2           HG       SER   2 -12.689  12.639  -0.419
   11    H    THR   3           HN       THR   3  -9.389  11.046  -3.739
   12    HA   THR   3           HA       THR   3 -11.840  11.088  -5.184
   13    HB   THR   3           HB       THR   3  -9.288   9.524  -5.464
   14    HG1  THR   3           HG1      THR   3  -9.128  10.775  -7.351
   15   HG21  THR   3          HG21      THR   3 -11.056   7.992  -6.123
   16   HG22  THR   3          HG22      THR   3 -10.166   8.552  -7.546
   17   HG23  THR   3          HG23      THR   3 -11.755   9.225  -7.180
   18    H    ALA   4           HN       ALA   4 -10.101   8.343  -3.782
   19    HA   ALA   4           HA       ALA   4 -10.711   6.463  -2.741
   20    HB1  ALA   4           HB1      ALA   4 -11.881   7.961  -1.192
   21    HB2  ALA   4           HB2      ALA   4 -12.713   6.416  -1.369
   22    HB3  ALA   4           HB3      ALA   4 -13.330   7.849  -2.191
   23    H    THR   5           HN       THR   5 -13.640   7.535  -4.473
   24    HA   THR   5           HA       THR   5 -14.894   5.183  -4.962
   25    HB   THR   5           HB       THR   5 -14.602   7.288  -7.097
   26    HG1  THR   5           HG1      THR   5 -15.821   8.602  -5.898
   27   HG21  THR   5          HG21      THR   5 -16.926   5.535  -6.284
   28   HG22  THR   5          HG22      THR   5 -15.897   5.281  -7.692
   29   HG23  THR   5          HG23      THR   5 -16.921   6.713  -7.597
   30    H    LEU   6           HN       LEU   6 -12.005   6.259  -6.577
   31    HA   LEU   6           HA       LEU   6 -11.896   4.505  -8.717
   32    HB2  LEU   6           HB2      LEU   6 -10.280   6.209  -8.605
   33    HB3  LEU   6           HB1      LEU   6  -9.825   5.777  -6.967
   34    HG   LEU   6           HG       LEU   6  -8.730   3.747  -7.793
   35   HD11  LEU   6          HD11      LEU   6  -8.427   3.397 -10.188
   36   HD12  LEU   6          HD12      LEU   6  -9.462   4.782 -10.532
   37   HD13  LEU   6          HD13      LEU   6 -10.135   3.351  -9.751
   38   HD21  LEU   6          HD21      LEU   6  -7.849   6.228  -9.266
   39   HD22  LEU   6          HD22      LEU   6  -6.846   4.837  -8.853
   40   HD23  LEU   6          HD23      LEU   6  -7.498   5.867  -7.576
   41    H    LEU   7           HN       LEU   7 -10.389   4.057  -5.524
   42    HA   LEU   7           HA       LEU   7 -10.040   1.233  -6.078
   43    HB2  LEU   7           HB2      LEU   7  -8.714   3.136  -4.493
   44    HB3  LEU   7           HB1      LEU   7  -9.438   1.995  -3.373
   45    HG   LEU   7           HG       LEU   7  -7.119   1.388  -3.993
   46   HD11  LEU   7          HD11      LEU   7  -8.852  -0.235  -3.267
   47   HD12  LEU   7          HD12      LEU   7  -7.596  -0.943  -4.287
   48   HD13  LEU   7          HD13      LEU   7  -9.188  -0.578  -4.965
   49   HD21  LEU   7          HD21      LEU   7  -8.270   0.763  -6.708
   50   HD22  LEU   7          HD22      LEU   7  -6.592   0.609  -6.186
   51   HD23  LEU   7          HD23      LEU   7  -7.321   2.207  -6.363
   52    H    THR   8           HN       THR   8 -12.034   3.334  -4.211
   53    HA   THR   8           HA       THR   8 -13.083   1.558  -2.332
   54    HB   THR   8           HB       THR   8 -14.138   4.041  -3.619
   55    HG1  THR   8           HG1      THR   8 -12.399   3.761  -1.852
   56   HG21  THR   8          HG21      THR   8 -15.503   2.473  -1.428
   57   HG22  THR   8          HG22      THR   8 -16.120   2.720  -3.061
   58   HG23  THR   8          HG23      THR   8 -15.958   4.090  -1.963
   59    H    SER   9           HN       SER   9 -13.953   2.098  -5.695
   60    HA   SER   9           HA       SER   9 -16.283   0.495  -5.723
   61    HB2  SER   9           HB2      SER   9 -14.374   1.487  -7.823
   62    HB3  SER   9           HB1      SER   9 -15.708   0.404  -8.250
   63    HG   SER   9           HG       SER   9 -17.012   2.064  -7.018
   64    H    LYS  10           HN       LYS  10 -12.914  -0.238  -5.705
   65    HA   LYS  10           HA       LYS  10 -13.113  -2.986  -6.496
   66    HB2  LYS  10           HB2      LYS  10 -10.966  -1.668  -6.528
   67    HB3  LYS  10           HB1      LYS  10 -11.022  -1.631  -4.768
   68    HG2  LYS  10           HG2      LYS  10  -9.486  -3.313  -5.398
   69    HG3  LYS  10           HG1      LYS  10 -10.928  -4.113  -4.781
   70    HD2  LYS  10           HD2      LYS  10 -10.941  -3.652  -7.674
   71    HD3  LYS  10           HD1      LYS  10  -9.671  -4.742  -7.117
   72    HE2  LYS  10           HE2      LYS  10 -11.352  -6.107  -5.976
   73    HE3  LYS  10           HE1      LYS  10 -12.618  -5.020  -6.535
   74    HZ1  LYS  10           HZ1      LYS  10 -10.866  -6.721  -8.227
   75    HZ2  LYS  10           HZ2      LYS  10 -11.976  -5.595  -8.832
   76    HZ3  LYS  10           HZ3      LYS  10 -12.522  -6.932  -7.953
   77    H    LEU  11           HN       LEU  11 -12.595  -1.372  -3.379
   78    HA   LEU  11           HA       LEU  11 -12.648  -3.716  -1.841
   79    HB2  LEU  11           HB2      LEU  11 -13.279  -0.916  -0.935
   80    HB3  LEU  11           HB1      LEU  11 -12.935  -2.265   0.118
   81    HG   LEU  11           HG       LEU  11 -10.885  -1.297   0.126
   82   HD11  LEU  11          HD11      LEU  11 -10.661  -3.539  -0.874
   83   HD12  LEU  11          HD12      LEU  11  -9.377  -2.429  -1.366
   84   HD13  LEU  11          HD13      LEU  11 -10.704  -2.795  -2.477
   85   HD21  LEU  11          HD21      LEU  11 -11.709   0.525  -1.432
   86   HD22  LEU  11          HD22      LEU  11 -11.084  -0.467  -2.755
   87   HD23  LEU  11          HD23      LEU  11  -9.990   0.137  -1.506
   88    H    ALA  12           HN       ALA  12 -15.214  -1.698  -2.983
   89    HA   ALA  12           HA       ALA  12 -17.298  -2.492  -1.307
   90    HB1  ALA  12           HB1      ALA  12 -17.394  -1.870  -4.259
   91    HB2  ALA  12           HB2      ALA  12 -17.512  -0.698  -2.946
   92    HB3  ALA  12           HB3      ALA  12 -18.781  -1.903  -3.169
   93    H    GLY  13           HN       GLY  13 -15.671  -4.160  -3.874
   94    HA2  GLY  13           HA2      GLY  13 -17.655  -6.280  -4.018
   95    HA3  GLY  13           HA1      GLY  13 -16.186  -6.148  -4.973
   96    H    LEU  14           HN       LEU  14 -14.995  -5.600  -2.048
   97    HA   LEU  14           HA       LEU  14 -14.398  -8.429  -1.599
   98    HB2  LEU  14           HB2      LEU  14 -12.936  -5.938  -0.838
   99    HB3  LEU  14           HB1      LEU  14 -12.510  -7.495  -0.222
  100    HG   LEU  14           HG       LEU  14 -11.039  -7.457  -1.889
  101   HD11  LEU  14          HD11      LEU  14 -11.828  -8.550  -3.905
  102   HD12  LEU  14          HD12      LEU  14 -13.494  -8.166  -3.464
  103   HD13  LEU  14          HD13      LEU  14 -12.544  -9.266  -2.456
  104   HD21  LEU  14          HD21      LEU  14 -11.328  -6.116  -3.938
  105   HD22  LEU  14          HD22      LEU  14 -11.426  -5.186  -2.442
  106   HD23  LEU  14          HD23      LEU  14 -12.898  -5.597  -3.324
  107    H    THR  15           HN       THR  15 -13.823  -8.934   0.627
  108    HA   THR  15           HA       THR  15 -15.443  -7.547   2.633
  109    HB   THR  15           HB       THR  15 -15.032  -9.473   4.042
  110    HG1  THR  15           HG1      THR  15 -13.671 -11.210   3.113
  111   HG21  THR  15          HG21      THR  15 -15.929 -11.307   2.652
  112   HG22  THR  15          HG22      THR  15 -15.564 -10.366   1.202
  113   HG23  THR  15          HG23      THR  15 -16.772  -9.786   2.350
  114    H    ALA  16           HN       ALA  16 -14.144  -7.140   4.740
  115    HA   ALA  16           HA       ALA  16 -12.107  -5.363   4.269
  116    HB1  ALA  16           HB1      ALA  16 -11.518  -5.565   6.630
  117    HB2  ALA  16           HB2      ALA  16 -12.422  -7.076   6.737
  118    HB3  ALA  16           HB3      ALA  16 -13.268  -5.564   6.416
  119    H    THR  17           HN       THR  17 -11.818  -8.832   4.809
  120    HA   THR  17           HA       THR  17  -9.011  -8.947   4.960
  121    HB   THR  17           HB       THR  17 -10.964 -11.088   4.110
  122    HG1  THR  17           HG1      THR  17 -11.554 -10.676   6.147
  123   HG21  THR  17          HG21      THR  17  -9.214 -12.639   4.859
  124   HG22  THR  17          HG22      THR  17  -8.141 -11.271   5.154
  125   HG23  THR  17          HG23      THR  17  -8.676 -11.634   3.513
  126    H    GLU  18           HN       GLU  18 -11.236  -9.437   2.195
  127    HA   GLU  18           HA       GLU  18  -9.147  -9.961   0.378
  128    HB2  GLU  18           HB2      GLU  18 -12.023  -9.190  -0.007
  129    HB3  GLU  18           HB1      GLU  18 -10.941  -9.609  -1.317
  130    HG2  GLU  18           HG2      GLU  18 -10.607 -11.812  -0.200
  131    HG3  GLU  18           HG1      GLU  18 -11.897 -11.362   0.910
  132    H    GLN  19           HN       GLN  19 -10.784  -7.111   1.509
  133    HA   GLN  19           HA       GLN  19  -9.828  -5.266  -0.385
  134    HB2  GLN  19           HB2      GLN  19 -10.410  -4.884   2.549
  135    HB3  GLN  19           HB1      GLN  19 -10.256  -3.596   1.372
  136    HG2  GLN  19           HG2      GLN  19 -12.171  -4.372   0.197
  137    HG3  GLN  19           HG1      GLN  19 -12.285  -5.785   1.220
  138   HE21  GLN  19          HE21      GLN  19 -14.322  -3.917   0.743
  139   HE22  GLN  19          HE22      GLN  19 -14.713  -3.173   2.261
  140    H    ARG  20           HN       ARG  20  -8.468  -6.619   2.551
  141    HA   ARG  20           HA       ARG  20  -5.997  -5.250   2.512
  142    HB2  ARG  20           HB2      ARG  20  -6.194  -8.159   3.244
  143    HB3  ARG  20           HB1      ARG  20  -5.152  -6.921   3.933
  144    HG2  ARG  20           HG2      ARG  20  -7.172  -5.854   4.872
  145    HG3  ARG  20           HG1      ARG  20  -8.118  -7.241   4.305
  146    HD2  ARG  20           HD2      ARG  20  -6.788  -8.712   5.699
  147    HD3  ARG  20           HD1      ARG  20  -5.762  -7.373   6.204
  148    HE   ARG  20           HE       ARG  20  -8.639  -7.526   6.843
  149   HH11  ARG  20          HH11      ARG  20  -5.324  -6.889   7.797
  150   HH12  ARG  20          HH12      ARG  20  -5.760  -6.334   9.380
  151   HH21  ARG  20          HH21      ARG  20  -9.201  -6.800   8.923
  152   HH22  ARG  20          HH22      ARG  20  -7.958  -6.274  10.016
  153    H    ALA  21           HN       ALA  21  -7.037  -8.287   1.084
  154    HA   ALA  21           HA       ALA  21  -4.590  -9.112   0.031
  155    HB1  ALA  21           HB1      ALA  21  -6.555 -10.561   0.308
  156    HB2  ALA  21           HB2      ALA  21  -5.859 -10.669  -1.310
  157    HB3  ALA  21           HB3      ALA  21  -7.330  -9.733  -1.044
  158    H    VAL  22           HN       VAL  22  -7.054  -7.046  -1.387
  159    HA   VAL  22           HA       VAL  22  -5.971  -7.190  -4.010
  160    HB   VAL  22           HB       VAL  22  -7.467  -5.226  -4.498
  161   HG11  VAL  22          HG11      VAL  22  -9.494  -6.510  -4.368
  162   HG12  VAL  22          HG12      VAL  22  -8.815  -7.531  -3.099
  163   HG13  VAL  22          HG13      VAL  22  -8.154  -7.597  -4.733
  164   HG21  VAL  22          HG21      VAL  22  -9.134  -4.645  -2.758
  165   HG22  VAL  22          HG22      VAL  22  -7.494  -4.158  -2.333
  166   HG23  VAL  22          HG23      VAL  22  -8.206  -5.595  -1.593
  167    H    THR  23           HN       THR  23  -5.648  -4.693  -1.441
  168    HA   THR  23           HA       THR  23  -3.678  -3.466  -3.183
  169    HB   THR  23           HB       THR  23  -4.981  -1.838  -2.255
  170    HG1  THR  23           HG1      THR  23  -3.016  -1.317  -0.474
  171   HG21  THR  23          HG21      THR  23  -5.860  -3.136  -0.334
  172   HG22  THR  23          HG22      THR  23  -5.416  -1.477   0.076
  173   HG23  THR  23          HG23      THR  23  -4.344  -2.807   0.502
  174    H    ARG  24           HN       ARG  24  -3.655  -5.724  -0.616
  175    HA   ARG  24           HA       ARG  24  -0.920  -5.386   0.086
  176    HB2  ARG  24           HB2      ARG  24  -2.384  -6.960   1.291
  177    HB3  ARG  24           HB1      ARG  24  -2.554  -7.928  -0.162
  178    HG2  ARG  24           HG2      ARG  24   0.127  -7.901   0.087
  179    HG3  ARG  24           HG1      ARG  24  -0.356  -7.799   1.781
  180    HD2  ARG  24           HD2      ARG  24  -1.709  -9.793   1.541
  181    HD3  ARG  24           HD1      ARG  24  -1.337  -9.861  -0.180
  182    HE   ARG  24           HE       ARG  24   1.033  -9.896   1.373
  183   HH11  ARG  24          HH11      ARG  24  -1.636 -11.933   0.403
  184   HH12  ARG  24          HH12      ARG  24  -0.720 -13.401   0.527
  185   HH21  ARG  24          HH21      ARG  24   2.246 -11.810   1.511
  186   HH22  ARG  24          HH22      ARG  24   1.495 -13.336   1.140
  187    H    LYS  25           HN       LYS  25  -2.515  -6.001  -2.717
  188    HA   LYS  25           HA       LYS  25  -0.236  -7.084  -4.131
  189    HB2  LYS  25           HB2      LYS  25  -2.115  -8.304  -4.708
  190    HB3  LYS  25           HB1      LYS  25  -3.194  -6.944  -4.500
  191    HG2  LYS  25           HG2      LYS  25  -3.119  -7.608  -6.802
  192    HG3  LYS  25           HG1      LYS  25  -2.422  -6.006  -6.590
  193    HD2  LYS  25           HD2      LYS  25  -0.184  -6.917  -6.751
  194    HD3  LYS  25           HD1      LYS  25  -0.824  -8.559  -6.797
  195    HE2  LYS  25           HE2      LYS  25  -0.241  -7.918  -9.027
  196    HE3  LYS  25           HE1      LYS  25  -1.997  -7.976  -8.910
  197    HZ1  LYS  25           HZ1      LYS  25  -2.018  -5.569  -8.673
  198    HZ2  LYS  25           HZ2      LYS  25  -1.261  -6.025 -10.111
  199    HZ3  LYS  25           HZ3      LYS  25  -0.332  -5.522  -8.794
  200    H    LEU  26           HN       LEU  26  -2.423  -4.265  -3.850
  201    HA   LEU  26           HA       LEU  26  -1.263  -2.811  -5.995
  202    HB2  LEU  26           HB2      LEU  26  -3.535  -2.408  -5.342
  203    HB3  LEU  26           HB1      LEU  26  -3.039  -1.990  -3.721
  204    HG   LEU  26           HG       LEU  26  -3.743  -0.116  -5.311
  205   HD11  LEU  26          HD11      LEU  26  -2.396   1.413  -4.139
  206   HD12  LEU  26          HD12      LEU  26  -1.132   0.206  -3.897
  207   HD13  LEU  26          HD13      LEU  26  -2.680   0.036  -3.064
  208   HD21  LEU  26          HD21      LEU  26  -0.917  -0.470  -6.245
  209   HD22  LEU  26          HD22      LEU  26  -2.017   0.844  -6.679
  210   HD23  LEU  26          HD23      LEU  26  -2.358  -0.807  -7.202
  211    H    VAL  27           HN       VAL  27  -0.942  -2.346  -2.425
  212    HA   VAL  27           HA       VAL  27   0.906  -0.257  -2.612
  213    HB   VAL  27           HB       VAL  27  -0.046  -0.692  -0.442
  214   HG11  VAL  27          HG11      VAL  27   1.306  -3.369  -0.632
  215   HG12  VAL  27          HG12      VAL  27  -0.418  -3.036  -0.485
  216   HG13  VAL  27          HG13      VAL  27   0.664  -2.701   0.869
  217   HG21  VAL  27          HG21      VAL  27   2.200   0.286  -0.452
  218   HG22  VAL  27          HG22      VAL  27   2.907  -1.333  -0.394
  219   HG23  VAL  27          HG23      VAL  27   1.955  -0.733   0.967
  220    H    LEU  28           HN       LEU  28   1.243  -3.664  -2.729
  221    HA   LEU  28           HA       LEU  28   4.008  -3.973  -2.764
  222    HB2  LEU  28           HB2      LEU  28   1.885  -5.609  -2.786
  223    HB3  LEU  28           HB1      LEU  28   2.281  -5.662  -4.487
  224    HG   LEU  28           HG       LEU  28   4.414  -6.635  -4.045
  225   HD11  LEU  28          HD11      LEU  28   5.110  -5.401  -2.149
  226   HD12  LEU  28          HD12      LEU  28   5.080  -7.104  -1.683
  227   HD13  LEU  28          HD13      LEU  28   3.775  -6.021  -1.178
  228   HD21  LEU  28          HD21      LEU  28   3.705  -8.653  -2.699
  229   HD22  LEU  28          HD22      LEU  28   2.662  -8.243  -4.064
  230   HD23  LEU  28          HD23      LEU  28   2.168  -7.821  -2.422
  231    H    ASP  29           HN       ASP  29   1.675  -3.501  -5.333
  232    HA   ASP  29           HA       ASP  29   3.470  -3.687  -7.515
  233    HB2  ASP  29           HB2      ASP  29   0.953  -3.924  -7.596
  234    HB3  ASP  29           HB1      ASP  29   0.860  -2.182  -7.422
  235    H    GLN  30           HN       GLN  30   2.088  -1.000  -5.701
  236    HA   GLN  30           HA       GLN  30   3.260   1.103  -7.098
  237    HB2  GLN  30           HB2      GLN  30   2.625   0.913  -4.175
  238    HB3  GLN  30           HB1      GLN  30   2.826   2.396  -5.095
  239    HG2  GLN  30           HG2      GLN  30   0.637   0.357  -5.400
  240    HG3  GLN  30           HG1      GLN  30   0.508   1.996  -4.782
  241   HE21  GLN  30          HE21      GLN  30   0.884   0.021  -7.596
  242   HE22  GLN  30          HE22      GLN  30   0.551   1.252  -8.765
  243    H    ALA  31           HN       ALA  31   4.336  -0.640  -4.245
  244    HA   ALA  31           HA       ALA  31   6.719   0.779  -3.767
  245    HB1  ALA  31           HB1      ALA  31   7.358  -1.127  -2.428
  246    HB2  ALA  31           HB2      ALA  31   6.159  -2.141  -3.243
  247    HB3  ALA  31           HB3      ALA  31   5.634  -0.813  -2.199
  248    H    ALA  32           HN       ALA  32   5.844  -1.790  -5.867
  249    HA   ALA  32           HA       ALA  32   8.415  -2.537  -6.746
  250    HB1  ALA  32           HB1      ALA  32   6.791  -4.106  -7.214
  251    HB2  ALA  32           HB2      ALA  32   6.896  -3.294  -8.779
  252    HB3  ALA  32           HB3      ALA  32   5.583  -2.889  -7.660
  253    H    SER  33           HN       SER  33   5.959  -0.292  -7.956
  254    HA   SER  33           HA       SER  33   7.257   0.554 -10.281
  255    HB2  SER  33           HB2      SER  33   4.982   1.141 -10.027
  256    HB3  SER  33           HB1      SER  33   5.248   1.805  -8.415
  257    HG   SER  33           HG       SER  33   5.694   2.944 -10.929
  258    H    VAL  34           HN       VAL  34   7.480   1.615  -6.957
  259    HA   VAL  34           HA       VAL  34   9.144   3.840  -7.303
  260    HB   VAL  34           HB       VAL  34   9.181   1.981  -4.940
  261   HG11  VAL  34          HG11      VAL  34   9.565   4.108  -3.706
  262   HG12  VAL  34          HG12      VAL  34   9.665   4.938  -5.258
  263   HG13  VAL  34          HG13      VAL  34  10.851   3.701  -4.842
  264   HG21  VAL  34          HG21      VAL  34   6.897   2.422  -5.485
  265   HG22  VAL  34          HG22      VAL  34   7.209   4.158  -5.541
  266   HG23  VAL  34          HG23      VAL  34   7.353   3.278  -4.020
  267    H    LEU  35           HN       LEU  35   9.841   0.618  -6.114
  268    HA   LEU  35           HA       LEU  35  12.552   0.988  -5.795
  269    HB2  LEU  35           HB2      LEU  35  10.580  -1.111  -5.659
  270    HB3  LEU  35           HB1      LEU  35  12.181  -1.714  -6.064
  271    HG   LEU  35           HG       LEU  35  12.988  -1.298  -3.965
  272   HD11  LEU  35          HD11      LEU  35  11.031   0.993  -3.752
  273   HD12  LEU  35          HD12      LEU  35  12.782   1.109  -3.958
  274   HD13  LEU  35          HD13      LEU  35  12.113   0.475  -2.455
  275   HD21  LEU  35          HD21      LEU  35  11.251  -2.789  -3.550
  276   HD22  LEU  35          HD22      LEU  35  10.021  -1.541  -3.754
  277   HD23  LEU  35          HD23      LEU  35  11.057  -1.539  -2.317
  278    H    GLY  36           HN       GLY  36  10.783  -0.096  -8.635
  279    HA2  GLY  36           HA2      GLY  36  12.185   0.399 -10.700
  280    HA3  GLY  36           HA1      GLY  36  13.378  -0.617  -9.906
  281    H    TYR  37           HN       TYR  37  10.179  -1.556  -9.418
  282    HA   TYR  37           HA       TYR  37  10.773  -3.976 -10.959
  283    HB2  TYR  37           HB2      TYR  37   8.700  -3.605  -8.809
  284    HB3  TYR  37           HB1      TYR  37   9.338  -5.110  -9.421
  285    HD1  TYR  37           HD1      TYR  37   9.178  -4.292  -6.491
  286    HD2  TYR  37           HD2      TYR  37  12.249  -3.935  -9.398
  287    HE1  TYR  37           HE1      TYR  37  10.851  -4.299  -4.701
  288    HE2  TYR  37           HE2      TYR  37  13.934  -3.915  -7.634
  289    HH   TYR  37           HH       TYR  37  13.268  -4.793  -4.420
  290    H    ALA  38           HN       ALA  38   8.953  -5.089 -11.932
  291    HA   ALA  38           HA       ALA  38   6.746  -3.321 -12.743
  292    HB1  ALA  38           HB1      ALA  38   6.890  -4.164 -15.004
  293    HB2  ALA  38           HB2      ALA  38   8.214  -5.238 -14.547
  294    HB3  ALA  38           HB3      ALA  38   8.450  -3.489 -14.528
  295    H    SER  39           HN       SER  39   7.567  -6.032 -11.140
  296    HA   SER  39           HA       SER  39   4.989  -7.277 -11.502
  297    HB2  SER  39           HB2      SER  39   6.352  -8.248 -13.325
  298    HB3  SER  39           HB1      SER  39   7.543  -8.779 -12.147
  299    HG   SER  39           HG       SER  39   5.701 -10.249 -12.969
  300    H    THR  40           HN       THR  40   6.507  -5.939  -9.397
  301    HA   THR  40           HA       THR  40   7.244  -6.136  -7.240
  302    HB   THR  40           HB       THR  40   5.757  -7.549  -5.794
  303    HG1  THR  40           HG1      THR  40   5.292  -8.829  -8.057
  304   HG21  THR  40          HG21      THR  40   5.158  -5.252  -6.278
  305   HG22  THR  40          HG22      THR  40   3.704  -6.254  -6.287
  306   HG23  THR  40          HG23      THR  40   4.430  -5.739  -7.811
  307    H    GLU  41           HN       GLU  41   9.050  -7.365  -8.671
  308    HA   GLU  41           HA       GLU  41   9.365 -10.116  -8.487
  309    HB2  GLU  41           HB2      GLU  41  11.788  -9.629  -9.004
  310    HB3  GLU  41           HB1      GLU  41  10.613  -8.945 -10.117
  311    HG2  GLU  41           HG2      GLU  41  10.813  -6.789  -8.855
  312    HG3  GLU  41           HG1      GLU  41  12.150  -7.515  -7.967
  313    H    SER  42           HN       SER  42  11.289  -7.754  -6.599
  314    HA   SER  42           HA       SER  42  11.900  -9.949  -4.761
  315    HB2  SER  42           HB2      SER  42  13.843  -8.339  -4.158
  316    HB3  SER  42           HB1      SER  42  13.906  -9.187  -5.705
  317    HG   SER  42           HG       SER  42  14.136  -6.662  -5.431
  318    H    LEU  43           HN       LEU  43   9.471  -8.545  -4.479
  319    HA   LEU  43           HA       LEU  43   9.915  -6.844  -2.153
  320    HB2  LEU  43           HB2      LEU  43   7.490  -7.440  -3.822
  321    HB3  LEU  43           HB1      LEU  43   7.426  -6.497  -2.343
  322    HG   LEU  43           HG       LEU  43   9.125  -5.760  -4.721
  323   HD11  LEU  43          HD11      LEU  43   6.791  -5.697  -5.319
  324   HD12  LEU  43          HD12      LEU  43   7.434  -4.062  -5.158
  325   HD13  LEU  43          HD13      LEU  43   6.427  -4.747  -3.879
  326   HD21  LEU  43          HD21      LEU  43   9.187  -3.579  -3.584
  327   HD22  LEU  43          HD22      LEU  43   9.924  -4.861  -2.623
  328   HD23  LEU  43          HD23      LEU  43   8.304  -4.283  -2.231
  329    H    ASP  44           HN       ASP  44   8.398  -7.110  -0.341
  330    HA   ASP  44           HA       ASP  44   7.469  -9.834   0.119
  331    HB2  ASP  44           HB2      ASP  44   9.896  -9.302   1.092
  332    HB3  ASP  44           HB1      ASP  44   8.954  -8.502   2.339
  333    H    THR  45           HN       THR  45   5.589  -9.842   1.250
  334    HA   THR  45           HA       THR  45   4.569  -7.260   2.138
  335    HB   THR  45           HB       THR  45   2.453  -8.655   2.543
  336    HG1  THR  45           HG1      THR  45   3.754 -10.450   0.756
  337   HG21  THR  45          HG21      THR  45   1.902  -8.662   0.112
  338   HG22  THR  45          HG22      THR  45   3.582  -8.228  -0.209
  339   HG23  THR  45          HG23      THR  45   2.550  -7.141   0.720
  340    H    HIS  46           HN       HIS  46   6.234  -9.857   3.347
  341    HA   HIS  46           HA       HIS  46   5.097  -9.587   6.043
  342    HB2  HIS  46           HB2      HIS  46   6.940 -11.672   4.850
  343    HB3  HIS  46           HB1      HIS  46   6.473 -11.628   6.539
  344    HD1  HIS  46           HD1      HIS  46   4.787 -13.344   6.987
  345    HD2  HIS  46           HD2      HIS  46   4.291 -11.649   3.231
  346    HE1  HIS  46           HE1      HIS  46   2.800 -14.510   5.984
  347    HE2  HIS  46           HE2      HIS  46   2.674 -13.638   3.627
  348    H    GLU  47           HN       GLU  47   7.425  -8.199   4.210
  349    HA   GLU  47           HA       GLU  47   9.189  -7.781   6.522
  350    HB2  GLU  47           HB2      GLU  47  11.025  -8.274   5.333
  351    HB3  GLU  47           HB1      GLU  47   9.933  -9.029   4.186
  352    HG2  GLU  47           HG2      GLU  47   9.848  -6.864   2.945
  353    HG3  GLU  47           HG1      GLU  47  11.087  -6.257   4.046
  354    H    SER  48           HN       SER  48  10.144  -5.647   6.623
  355    HA   SER  48           HA       SER  48   8.038  -3.761   6.014
  356    HB2  SER  48           HB2      SER  48  10.592  -3.133   7.478
  357    HB3  SER  48           HB1      SER  48   9.003  -2.390   7.650
  358    HG   SER  48           HG       SER  48   9.818  -4.054   9.272
  359    H    PHE  49           HN       PHE  49   8.283  -1.849   4.918
  360    HA   PHE  49           HA       PHE  49   9.650  -1.850   2.517
  361    HB2  PHE  49           HB2      PHE  49   8.696   0.529   4.093
  362    HB3  PHE  49           HB1      PHE  49   9.153   0.562   2.395
  363    HD1  PHE  49           HD1      PHE  49   7.720  -0.285   0.717
  364    HD2  PHE  49           HD2      PHE  49   6.672  -0.633   4.817
  365    HE1  PHE  49           HE1      PHE  49   5.447  -0.926   0.076
  366    HE2  PHE  49           HE2      PHE  49   4.384  -1.278   4.181
  367    HZ   PHE  49           HZ       PHE  49   3.727  -1.307   1.869
  368    H    LYS  50           HN       LYS  50  10.695  -0.622   5.598
  369    HA   LYS  50           HA       LYS  50  13.039   0.620   5.128
  370    HB2  LYS  50           HB2      LYS  50  12.086  -0.207   7.327
  371    HB3  LYS  50           HB1      LYS  50  12.850  -1.743   6.980
  372    HG2  LYS  50           HG2      LYS  50  14.612   0.583   6.794
  373    HG3  LYS  50           HG1      LYS  50  13.998   0.219   8.397
  374    HD2  LYS  50           HD2      LYS  50  15.739  -1.188   8.519
  375    HD3  LYS  50           HD1      LYS  50  14.746  -2.233   7.498
  376    HE2  LYS  50           HE2      LYS  50  16.954  -2.017   6.538
  377    HE3  LYS  50           HE1      LYS  50  15.746  -1.235   5.520
  378    HZ1  LYS  50           HZ1      LYS  50  17.723   0.123   5.728
  379    HZ2  LYS  50           HZ2      LYS  50  17.555   0.163   7.406
  380    HZ3  LYS  50           HZ3      LYS  50  16.395   0.898   6.423
  381    H    ASP  51           HN       ASP  51  12.640  -2.870   5.192
  382    HA   ASP  51           HA       ASP  51  15.261  -3.411   4.286
  383    HB2  ASP  51           HB2      ASP  51  13.704  -4.950   5.605
  384    HB3  ASP  51           HB1      ASP  51  12.936  -5.311   4.066
  385    H    LEU  52           HN       LEU  52  12.273  -2.747   2.691
  386    HA   LEU  52           HA       LEU  52  12.921  -3.806   0.128
  387    HB2  LEU  52           HB2      LEU  52  10.866  -1.898   1.165
  388    HB3  LEU  52           HB1      LEU  52  11.057  -2.128  -0.546
  389    HG   LEU  52           HG       LEU  52  10.523  -4.523  -0.289
  390   HD11  LEU  52          HD11      LEU  52   9.541  -5.250   1.862
  391   HD12  LEU  52          HD12      LEU  52  10.142  -3.759   2.586
  392   HD13  LEU  52          HD13      LEU  52  11.275  -4.942   1.933
  393   HD21  LEU  52          HD21      LEU  52   8.529  -2.619   0.899
  394   HD22  LEU  52          HD22      LEU  52   8.162  -4.253   0.350
  395   HD23  LEU  52          HD23      LEU  52   8.714  -3.034  -0.807
  396    H    GLY  53           HN       GLY  53  13.797  -1.040   1.878
  397    HA2  GLY  53           HA2      GLY  53  15.757   0.108   1.170
  398    HA3  GLY  53           HA1      GLY  53  15.230  -0.067  -0.490
  399    H    PHE  54           HN       PHE  54  12.638   0.814   1.540
  400    HA   PHE  54           HA       PHE  54  12.523   3.351   0.275
  401    HB2  PHE  54           HB2      PHE  54  10.780   2.060   2.373
  402    HB3  PHE  54           HB1      PHE  54  10.482   3.665   1.715
  403    HD1  PHE  54           HD1      PHE  54   9.712   3.983  -0.496
  404    HD2  PHE  54           HD2      PHE  54  10.612   0.091   0.941
  405    HE1  PHE  54           HE1      PHE  54   8.620   3.022  -2.456
  406    HE2  PHE  54           HE2      PHE  54   9.518  -0.899  -1.014
  407    HZ   PHE  54           HZ       PHE  54   8.534   0.566  -2.749
  408    H    ASP  55           HN       ASP  55  12.190   5.370   1.346
  409    HA   ASP  55           HA       ASP  55  13.481   5.884   3.861
  410    HB2  ASP  55           HB2      ASP  55  15.194   7.409   2.758
  411    HB3  ASP  55           HB1      ASP  55  15.518   5.681   2.654
  412    H    SER  56           HN       SER  56  14.138   8.572   3.418
  413    HA   SER  56           HA       SER  56  11.525   9.761   3.303
  414    HB2  SER  56           HB2      SER  56  14.207  11.143   3.534
  415    HB3  SER  56           HB1      SER  56  12.631  11.801   3.971
  416    HG   SER  56           HG       SER  56  12.688   9.685   5.361
  417    H    LEU  57           HN       LEU  57  12.465   8.562   0.883
  418    HA   LEU  57           HA       LEU  57  12.110  10.778  -0.975
  419    HB2  LEU  57           HB2      LEU  57  14.051   8.514  -1.315
  420    HB3  LEU  57           HB1      LEU  57  13.773   9.805  -2.466
  421    HG   LEU  57           HG       LEU  57  14.857  10.222   0.311
  422   HD11  LEU  57          HD11      LEU  57  16.342  10.005  -2.305
  423   HD12  LEU  57          HD12      LEU  57  16.392   8.846  -0.975
  424   HD13  LEU  57          HD13      LEU  57  17.047  10.471  -0.756
  425   HD21  LEU  57          HD21      LEU  57  14.738  12.007  -2.117
  426   HD22  LEU  57          HD22      LEU  57  15.541  12.404  -0.597
  427   HD23  LEU  57          HD23      LEU  57  13.793  12.177  -0.637
  428    H    THR  58           HN       THR  58  12.611   7.270  -0.931
  429    HA   THR  58           HA       THR  58  10.857   6.797  -3.120
  430    HB   THR  58           HB       THR  58  11.124   4.354  -2.315
  431    HG1  THR  58           HG1      THR  58  13.221   5.558  -0.794
  432   HG21  THR  58          HG21      THR  58  13.377   4.232  -3.262
  433   HG22  THR  58          HG22      THR  58  13.539   5.982  -3.097
  434   HG23  THR  58          HG23      THR  58  12.339   5.307  -4.199
  435    H    ALA  59           HN       ALA  59  10.557   6.272   0.382
  436    HA   ALA  59           HA       ALA  59   8.043   5.119   0.436
  437    HB1  ALA  59           HB1      ALA  59   9.127   7.138   2.409
  438    HB2  ALA  59           HB2      ALA  59   9.539   5.427   2.405
  439    HB3  ALA  59           HB3      ALA  59   7.876   5.931   2.713
  440    H    LEU  60           HN       LEU  60   9.060   8.396   0.008
  441    HA   LEU  60           HA       LEU  60   6.595   9.675   0.409
  442    HB2  LEU  60           HB2      LEU  60   9.089  10.451  -1.081
  443    HB3  LEU  60           HB1      LEU  60   7.710  11.526  -0.936
  444    HG   LEU  60           HG       LEU  60   9.506  12.023   0.708
  445   HD11  LEU  60          HD11      LEU  60   6.946  11.035   1.923
  446   HD12  LEU  60          HD12      LEU  60   7.194  12.618   1.183
  447   HD13  LEU  60          HD13      LEU  60   8.071  12.177   2.648
  448   HD21  LEU  60          HD21      LEU  60  10.334   9.780   1.139
  449   HD22  LEU  60          HD22      LEU  60   8.777   9.328   1.838
  450   HD23  LEU  60          HD23      LEU  60   9.787  10.531   2.639
  451    H    GLU  61           HN       GLU  61   8.218   8.566  -2.565
  452    HA   GLU  61           HA       GLU  61   5.978   9.367  -4.177
  453    HB2  GLU  61           HB2      GLU  61   7.158   7.896  -5.932
  454    HB3  GLU  61           HB1      GLU  61   7.943   9.383  -5.409
  455    HG2  GLU  61           HG2      GLU  61   9.347   8.076  -3.885
  456    HG3  GLU  61           HG1      GLU  61   8.576   6.603  -4.467
  457    H    LEU  62           HN       LEU  62   6.963   6.454  -2.525
  458    HA   LEU  62           HA       LEU  62   5.039   4.723  -3.702
  459    HB2  LEU  62           HB2      LEU  62   6.818   3.796  -2.377
  460    HB3  LEU  62           HB1      LEU  62   6.298   4.705  -0.973
  461    HG   LEU  62           HG       LEU  62   4.213   3.435  -0.895
  462   HD11  LEU  62          HD11      LEU  62   3.916   2.972  -3.225
  463   HD12  LEU  62          HD12      LEU  62   3.963   1.453  -2.326
  464   HD13  LEU  62          HD13      LEU  62   5.368   1.977  -3.250
  465   HD21  LEU  62          HD21      LEU  62   6.246   2.686   0.283
  466   HD22  LEU  62          HD22      LEU  62   6.598   1.625  -1.083
  467   HD23  LEU  62          HD23      LEU  62   5.135   1.379  -0.125
  468    H    ARG  63           HN       ARG  63   5.045   6.685  -0.774
  469    HA   ARG  63           HA       ARG  63   2.470   6.190   0.156
  470    HB2  ARG  63           HB2      ARG  63   3.914   7.436   1.545
  471    HB3  ARG  63           HB1      ARG  63   4.367   8.529   0.246
  472    HG2  ARG  63           HG2      ARG  63   1.802   9.165   0.362
  473    HG3  ARG  63           HG1      ARG  63   1.996   8.588   2.019
  474    HD2  ARG  63           HD2      ARG  63   2.388  11.002   1.841
  475    HD3  ARG  63           HD1      ARG  63   3.830  10.137   2.368
  476    HE   ARG  63           HE       ARG  63   4.431  10.281  -0.143
  477   HH11  ARG  63          HH11      ARG  63   2.769  12.742   1.714
  478   HH12  ARG  63          HH12      ARG  63   3.326  14.047   0.716
  479   HH21  ARG  63          HH21      ARG  63   5.149  12.007  -1.467
  480   HH22  ARG  63          HH22      ARG  63   4.664  13.629  -1.091
  481    H    ASP  64           HN       ASP  64   3.792   8.551  -2.064
  482    HA   ASP  64           HA       ASP  64   1.508   9.857  -2.897
  483    HB2  ASP  64           HB2      ASP  64   3.911  10.422  -3.389
  484    HB3  ASP  64           HB1      ASP  64   3.874   9.164  -4.613
  485    H    HIS  65           HN       HIS  65   3.005   6.882  -4.084
  486    HA   HIS  65           HA       HIS  65   1.270   6.396  -6.231
  487    HB2  HIS  65           HB2      HIS  65   2.869   4.547  -4.509
  488    HB3  HIS  65           HB1      HIS  65   1.948   3.997  -5.887
  489    HD1  HIS  65           HD1      HIS  65   2.901   6.645  -7.624
  490    HD2  HIS  65           HD2      HIS  65   5.215   3.819  -5.682
  491    HE1  HIS  65           HE1      HIS  65   5.172   6.722  -8.732
  492    HE2  HIS  65           HE2      HIS  65   6.469   4.865  -7.685
  493    H    LEU  66           HN       LEU  66   1.073   5.474  -2.791
  494    HA   LEU  66           HA       LEU  66  -1.142   3.741  -3.131
  495    HB2  LEU  66           HB2      LEU  66   0.086   5.162  -0.817
  496    HB3  LEU  66           HB1      LEU  66  -1.443   4.343  -0.610
  497    HG   LEU  66           HG       LEU  66  -0.513   2.240  -0.786
  498   HD11  LEU  66          HD11      LEU  66   1.633   1.733  -1.841
  499   HD12  LEU  66          HD12      LEU  66   1.835   3.439  -2.241
  500   HD13  LEU  66          HD13      LEU  66   0.523   2.512  -2.965
  501   HD21  LEU  66          HD21      LEU  66   0.363   3.298   1.185
  502   HD22  LEU  66          HD22      LEU  66   1.699   3.984   0.262
  503   HD23  LEU  66          HD23      LEU  66   1.592   2.238   0.494
  504    H    GLN  67           HN       GLN  67  -0.867   7.150  -2.340
  505    HA   GLN  67           HA       GLN  67  -3.655   7.574  -1.877
  506    HB2  GLN  67           HB2      GLN  67  -1.749   9.695  -2.805
  507    HB3  GLN  67           HB1      GLN  67  -3.131   9.862  -1.731
  508    HG2  GLN  67           HG2      GLN  67  -2.015   8.932   0.062
  509    HG3  GLN  67           HG1      GLN  67  -0.840   8.143  -0.993
  510   HE21  GLN  67          HE21      GLN  67  -0.267  10.425  -2.584
  511   HE22  GLN  67          HE22      GLN  67   0.671  11.490  -1.615
  512    H    THR  68           HN       THR  68  -1.519   7.797  -4.644
  513    HA   THR  68           HA       THR  68  -3.368   8.840  -6.466
  514    HB   THR  68           HB       THR  68  -0.782   7.370  -6.524
  515    HG1  THR  68           HG1      THR  68  -0.738   9.602  -6.164
  516   HG21  THR  68          HG21      THR  68  -1.984   6.449  -8.425
  517   HG22  THR  68          HG22      THR  68  -0.679   7.504  -8.962
  518   HG23  THR  68          HG23      THR  68  -2.348   8.074  -9.005
  519    H    ALA  69           HN       ALA  69  -2.254   5.632  -5.716
  520    HA   ALA  69           HA       ALA  69  -3.851   4.102  -7.360
  521    HB1  ALA  69           HB1      ALA  69  -1.927   3.271  -6.148
  522    HB2  ALA  69           HB2      ALA  69  -3.354   2.279  -5.827
  523    HB3  ALA  69           HB3      ALA  69  -2.801   3.453  -4.628
  524    H    THR  70           HN       THR  70  -4.464   5.055  -3.976
  525    HA   THR  70           HA       THR  70  -7.020   3.663  -4.057
  526    HB   THR  70           HB       THR  70  -7.140   4.120  -1.656
  527    HG1  THR  70           HG1      THR  70  -4.598   5.365  -1.790
  528   HG21  THR  70          HG21      THR  70  -4.356   3.276  -2.448
  529   HG22  THR  70          HG22      THR  70  -5.771   2.220  -2.473
  530   HG23  THR  70          HG23      THR  70  -5.189   2.878  -0.945
  531    H    GLY  71           HN       GLY  71  -5.743   6.889  -3.876
  532    HA2  GLY  71           HA2      GLY  71  -6.851   8.864  -4.463
  533    HA3  GLY  71           HA1      GLY  71  -8.387   8.009  -4.383
  534    H    LEU  72           HN       LEU  72  -6.420   7.339  -1.766
  535    HA   LEU  72           HA       LEU  72  -8.099   8.998  -0.028
  536    HB2  LEU  72           HB2      LEU  72  -6.535   6.458   0.359
  537    HB3  LEU  72           HB1      LEU  72  -7.059   7.405   1.734
  538    HG   LEU  72           HG       LEU  72  -8.537   5.481   1.231
  539   HD11  LEU  72          HD11      LEU  72  -9.405   7.402   2.434
  540   HD12  LEU  72          HD12      LEU  72 -10.643   6.676   1.412
  541   HD13  LEU  72          HD13      LEU  72  -9.849   8.172   0.909
  542   HD21  LEU  72          HD21      LEU  72  -8.358   5.484  -1.200
  543   HD22  LEU  72          HD22      LEU  72  -9.246   7.002  -1.264
  544   HD23  LEU  72          HD23      LEU  72 -10.037   5.543  -0.669
  545    H    ASN  73           HN       ASN  73  -6.525   9.058   2.238
  546    HA   ASN  73           HA       ASN  73  -4.348  10.820   1.341
  547    HB2  ASN  73           HB2      ASN  73  -6.341  12.075   2.122
  548    HB3  ASN  73           HB1      ASN  73  -6.202  11.279   3.685
  549   HD21  ASN  73          HD21      ASN  73  -5.927  13.250   4.740
  550   HD22  ASN  73          HD22      ASN  73  -4.439  14.127   4.657
  551    H    LEU  74           HN       LEU  74  -2.641   9.516   1.760
  552    HA   LEU  74           HA       LEU  74  -2.518   8.127   4.299
  553    HB2  LEU  74           HB2      LEU  74  -0.872   7.921   1.795
  554    HB3  LEU  74           HB1      LEU  74  -0.507   7.037   3.269
  555    HG   LEU  74           HG       LEU  74  -2.991   6.208   3.020
  556   HD11  LEU  74          HD11      LEU  74  -2.286   6.787   0.145
  557   HD12  LEU  74          HD12      LEU  74  -3.490   7.670   1.083
  558   HD13  LEU  74          HD13      LEU  74  -3.730   5.958   0.738
  559   HD21  LEU  74          HD21      LEU  74  -0.619   5.244   1.463
  560   HD22  LEU  74          HD22      LEU  74  -2.127   4.347   1.590
  561   HD23  LEU  74          HD23      LEU  74  -1.189   4.696   3.041
  562    H    SER  75           HN       SER  75   0.483   8.052   4.319
  563    HA   SER  75           HA       SER  75   0.796  10.701   5.578
  564    HB2  SER  75           HB2      SER  75   0.108   9.118   7.299
  565    HB3  SER  75           HB1      SER  75   1.393   8.008   6.828
  566    HG   SER  75           HG       SER  75   1.779   9.438   8.705
  567    H    SER  76           HN       SER  76   3.028  11.283   6.106
  568    HA   SER  76           HA       SER  76   4.754  10.809   3.896
  569    HB2  SER  76           HB2      SER  76   5.401  12.173   6.515
  570    HB3  SER  76           HB1      SER  76   6.274  12.348   4.994
  571    HG   SER  76           HG       SER  76   4.334  13.842   5.807
  572    H    THR  77           HN       THR  77   4.537   9.487   7.110
  573    HA   THR  77           HA       THR  77   6.870   7.770   6.539
  574    HB   THR  77           HB       THR  77   6.761   7.312   9.064
  575    HG1  THR  77           HG1      THR  77   5.233   8.334  10.103
  576   HG21  THR  77          HG21      THR  77   8.061   9.358   9.565
  577   HG22  THR  77          HG22      THR  77   7.541  10.026   8.017
  578   HG23  THR  77          HG23      THR  77   8.549   8.581   8.058
  579    H    LEU  78           HN       LEU  78   4.322   7.480   5.496
  580    HA   LEU  78           HA       LEU  78   2.417   5.988   6.750
  581    HB2  LEU  78           HB2      LEU  78   2.348   7.059   4.513
  582    HB3  LEU  78           HB1      LEU  78   3.348   5.769   3.904
  583    HG   LEU  78           HG       LEU  78   0.735   5.818   3.587
  584   HD11  LEU  78          HD11      LEU  78   2.464   3.417   4.037
  585   HD12  LEU  78          HD12      LEU  78   2.086   4.231   2.507
  586   HD13  LEU  78          HD13      LEU  78   0.830   3.340   3.377
  587   HD21  LEU  78          HD21      LEU  78   1.169   4.636   6.295
  588   HD22  LEU  78          HD22      LEU  78  -0.171   4.109   5.273
  589   HD23  LEU  78          HD23      LEU  78  -0.048   5.799   5.760
  590    H    ILE  79           HN       ILE  79   4.927   4.627   4.646
  591    HA   ILE  79           HA       ILE  79   4.358   1.927   5.447
  592    HB   ILE  79           HB       ILE  79   6.158   1.325   3.952
  593   HG12  ILE  79          HG12      ILE  79   6.784   4.264   4.009
  594   HG13  ILE  79          HG11      ILE  79   7.851   2.921   4.409
  595   HG21  ILE  79          HG21      ILE  79   4.481   3.578   2.875
  596   HG22  ILE  79          HG22      ILE  79   4.060   1.861   2.901
  597   HG23  ILE  79          HG23      ILE  79   5.399   2.431   1.899
  598   HD11  ILE  79          HD11      ILE  79   8.530   3.695   2.309
  599   HD12  ILE  79          HD12      ILE  79   6.868   3.802   1.729
  600   HD13  ILE  79          HD13      ILE  79   7.613   2.219   1.993
  601    H    PHE  80           HN       PHE  80   5.804   4.178   7.197
  602    HA   PHE  80           HA       PHE  80   7.635   2.234   8.423
  603    HB2  PHE  80           HB2      PHE  80   7.791   5.257   8.457
  604    HB3  PHE  80           HB1      PHE  80   8.889   4.177   9.314
  605    HD1  PHE  80           HD1      PHE  80   8.975   6.279   6.766
  606    HD2  PHE  80           HD2      PHE  80   9.458   2.097   7.401
  607    HE1  PHE  80           HE1      PHE  80  10.421   6.158   4.781
  608    HE2  PHE  80           HE2      PHE  80  10.895   1.961   5.412
  609    HZ   PHE  80           HZ       PHE  80  11.283   3.944   4.033
  610    H    ASP  81           HN       ASP  81   4.855   4.046   8.586
  611    HA   ASP  81           HA       ASP  81   4.449   3.904  11.436
  612    HB2  ASP  81           HB2      ASP  81   3.376   5.525   9.597
  613    HB3  ASP  81           HB1      ASP  81   2.247   4.196   9.466
  614    H    HIS  82           HN       HIS  82   3.560   2.363   8.480
  615    HA   HIS  82           HA       HIS  82   2.584  -0.009   9.888
  616    HB2  HIS  82           HB2      HIS  82   1.751   0.936   7.133
  617    HB3  HIS  82           HB1      HIS  82   1.008  -0.327   8.099
  618    HD1  HIS  82           HD1      HIS  82  -0.447   0.446  10.149
  619    HD2  HIS  82           HD2      HIS  82   0.979   3.525   7.747
  620    HE1  HIS  82           HE1      HIS  82  -1.666   2.510  10.907
  621    HE2  HIS  82           HE2      HIS  82  -0.586   4.390   9.626
  622    HA   PRO  83           HA       PRO  83   6.576  -0.978   8.494
  623    HB2  PRO  83           HB2      PRO  83   6.551  -3.675   9.048
  624    HB3  PRO  83           HB1      PRO  83   6.792  -2.410  10.257
  625    HG2  PRO  83           HG2      PRO  83   4.279  -3.877   9.526
  626    HG3  PRO  83           HG1      PRO  83   4.909  -3.469  11.137
  627    HD2  PRO  83           HD2      PRO  83   2.961  -2.013  10.021
  628    HD3  PRO  83           HD1      PRO  83   4.246  -1.240  10.957
  629    H    THR  84           HN       THR  84   4.028  -3.182   7.344
  630    HA   THR  84           HA       THR  84   5.749  -3.776   5.050
  631    HB   THR  84           HB       THR  84   4.779  -5.997   4.998
  632    HG1  THR  84           HG1      THR  84   3.582  -6.127   7.373
  633   HG21  THR  84          HG21      THR  84   6.779  -5.579   6.423
  634   HG22  THR  84          HG22      THR  84   5.785  -6.919   6.999
  635   HG23  THR  84          HG23      THR  84   5.703  -5.348   7.802
  636    HA   PRO  85           HA       PRO  85   2.445  -2.642   2.309
  637    HB2  PRO  85           HB2      PRO  85   2.788  -5.265   0.985
  638    HB3  PRO  85           HB1      PRO  85   2.919  -3.646   0.299
  639    HG2  PRO  85           HG2      PRO  85   5.075  -5.198   0.741
  640    HG3  PRO  85           HG1      PRO  85   5.130  -3.433   0.877
  641    HD2  PRO  85           HD2      PRO  85   5.081  -5.491   3.014
  642    HD3  PRO  85           HD1      PRO  85   5.856  -3.901   2.997
  643    H    HIS  86           HN       HIS  86   2.583  -5.484   4.125
  644    HA   HIS  86           HA       HIS  86  -0.150  -6.310   3.727
  645    HB2  HIS  86           HB2      HIS  86   1.141  -8.074   4.477
  646    HB3  HIS  86           HB1      HIS  86   2.114  -7.060   5.518
  647    HD1  HIS  86           HD1      HIS  86  -0.767  -9.342   5.560
  648    HD2  HIS  86           HD2      HIS  86   0.810  -6.366   8.001
  649    HE1  HIS  86           HE1      HIS  86  -1.804  -9.707   7.823
  650    HE2  HIS  86           HE2      HIS  86  -0.675  -8.032   9.329
  651    H    ALA  87           HN       ALA  87   1.690  -4.555   6.158
  652    HA   ALA  87           HA       ALA  87  -0.526  -4.023   7.877
  653    HB1  ALA  87           HB1      ALA  87   2.151  -2.638   7.737
  654    HB2  ALA  87           HB2      ALA  87   1.821  -4.106   8.663
  655    HB3  ALA  87           HB3      ALA  87   1.019  -2.595   9.090
  656    H    VAL  88           HN       VAL  88   0.808  -2.647   5.109
  657    HA   VAL  88           HA       VAL  88  -0.358  -0.026   5.487
  658    HB   VAL  88           HB       VAL  88   1.158  -1.294   3.231
  659   HG11  VAL  88          HG11      VAL  88   0.056   1.492   3.424
  660   HG12  VAL  88          HG12      VAL  88  -0.395   0.244   2.263
  661   HG13  VAL  88          HG13      VAL  88   1.219   0.953   2.214
  662   HG21  VAL  88          HG21      VAL  88   2.519  -0.784   5.155
  663   HG22  VAL  88          HG22      VAL  88   1.897   0.871   5.190
  664   HG23  VAL  88          HG23      VAL  88   2.900   0.331   3.843
  665    H    ALA  89           HN       ALA  89  -0.831  -2.855   3.431
  666    HA   ALA  89           HA       ALA  89  -2.945  -1.781   1.934
  667    HB1  ALA  89           HB1      ALA  89  -3.545  -4.128   1.436
  668    HB2  ALA  89           HB2      ALA  89  -2.333  -4.650   2.610
  669    HB3  ALA  89           HB3      ALA  89  -1.845  -3.757   1.168
  670    H    GLU  90           HN       GLU  90  -2.932  -3.527   5.069
  671    HA   GLU  90           HA       GLU  90  -5.800  -3.509   5.209
  672    HB2  GLU  90           HB2      GLU  90  -5.455  -4.071   7.608
  673    HB3  GLU  90           HB1      GLU  90  -4.612  -5.151   6.505
  674    HG2  GLU  90           HG2      GLU  90  -2.531  -4.124   6.955
  675    HG3  GLU  90           HG1      GLU  90  -3.298  -2.818   7.856
  676    H    HIS  91           HN       HIS  91  -3.224  -1.365   6.074
  677    HA   HIS  91           HA       HIS  91  -4.679   0.481   7.590
  678    HB2  HIS  91           HB2      HIS  91  -2.317   0.629   7.666
  679    HB3  HIS  91           HB1      HIS  91  -2.188   0.710   5.908
  680    HD1  HIS  91           HD1      HIS  91  -3.451   2.815   8.818
  681    HD2  HIS  91           HD2      HIS  91  -2.142   3.188   4.894
  682    HE1  HIS  91           HE1      HIS  91  -3.295   5.288   8.397
  683    HE2  HIS  91           HE2      HIS  91  -2.669   5.496   5.969
  684    H    LEU  92           HN       LEU  92  -4.497  -0.158   4.198
  685    HA   LEU  92           HA       LEU  92  -5.625   2.325   3.388
  686    HB2  LEU  92           HB2      LEU  92  -4.857  -0.219   2.079
  687    HB3  LEU  92           HB1      LEU  92  -6.106   0.734   1.282
  688    HG   LEU  92           HG       LEU  92  -4.669   2.529   0.881
  689   HD11  LEU  92          HD11      LEU  92  -2.331   2.556   1.925
  690   HD12  LEU  92          HD12      LEU  92  -2.986   1.410   3.094
  691   HD13  LEU  92          HD13      LEU  92  -3.694   3.021   2.940
  692   HD21  LEU  92          HD21      LEU  92  -2.953   0.067   0.721
  693   HD22  LEU  92          HD22      LEU  92  -2.668   1.580  -0.140
  694   HD23  LEU  92          HD23      LEU  92  -4.102   0.617  -0.499
  695    H    LEU  93           HN       LEU  93  -6.867  -0.359   4.887
  696    HA   LEU  93           HA       LEU  93  -9.569  -0.238   3.862
  697    HB2  LEU  93           HB2      LEU  93  -8.351  -1.553   6.266
  698    HB3  LEU  93           HB1      LEU  93 -10.080  -1.537   6.001
  699    HG   LEU  93           HG       LEU  93  -9.936  -3.001   4.183
  700   HD11  LEU  93          HD11      LEU  93  -8.181  -1.949   2.913
  701   HD12  LEU  93          HD12      LEU  93  -7.781  -3.653   3.146
  702   HD13  LEU  93          HD13      LEU  93  -6.978  -2.414   4.117
  703   HD21  LEU  93          HD21      LEU  93  -8.778  -4.892   5.071
  704   HD22  LEU  93          HD22      LEU  93  -9.438  -3.965   6.419
  705   HD23  LEU  93          HD23      LEU  93  -7.719  -3.852   6.028
  706    H    GLU  94           HN       GLU  94  -7.675   1.021   6.410
  707    HA   GLU  94           HA       GLU  94  -9.645   2.048   8.115
  708    HB2  GLU  94           HB2      GLU  94  -6.804   2.839   7.530
  709    HB3  GLU  94           HB1      GLU  94  -7.727   3.488   8.892
  710    HG2  GLU  94           HG2      GLU  94  -6.860   0.646   8.415
  711    HG3  GLU  94           HG1      GLU  94  -6.343   1.727   9.705
  712    H    GLN  95           HN       GLN  95  -8.345   3.134   5.111
  713    HA   GLN  95           HA       GLN  95  -9.272   5.844   5.325
  714    HB2  GLN  95           HB2      GLN  95  -8.459   4.415   2.813
  715    HB3  GLN  95           HB1      GLN  95  -8.222   6.105   3.241
  716    HG2  GLN  95           HG2      GLN  95  -6.847   3.834   4.636
  717    HG3  GLN  95           HG1      GLN  95  -6.166   4.683   3.258
  718   HE21  GLN  95          HE21      GLN  95  -5.346   4.415   6.071
  719   HE22  GLN  95          HE22      GLN  95  -5.131   6.031   6.645
  720    H    ILE  96           HN       ILE  96 -10.524   2.814   4.388
  721    HA   ILE  96           HA       ILE  96 -12.199   3.633   2.255
  722    HB   ILE  96           HB       ILE  96 -12.151   1.116   3.895
  723   HG12  ILE  96          HG12      ILE  96 -10.033   1.780   2.856
  724   HG13  ILE  96          HG11      ILE  96 -10.662   0.292   2.191
  725   HG21  ILE  96          HG21      ILE  96 -14.219   1.437   2.524
  726   HG22  ILE  96          HG22      ILE  96 -13.268   0.005   2.136
  727   HG23  ILE  96          HG23      ILE  96 -13.179   1.425   1.098
  728   HD11  ILE  96          HD11      ILE  96 -10.977   2.996   0.912
  729   HD12  ILE  96          HD12      ILE  96 -11.387   1.431   0.206
  730   HD13  ILE  96          HD13      ILE  96  -9.699   1.845   0.513
  731    HA   PRO  97           HA       PRO  97 -15.648   5.180   4.396
  732    HB2  PRO  97           HB2      PRO  97 -17.428   5.185   2.415
  733    HB3  PRO  97           HB1      PRO  97 -15.965   6.177   2.334
  734    HG2  PRO  97           HG2      PRO  97 -16.461   3.476   1.137
  735    HG3  PRO  97           HG1      PRO  97 -15.818   4.923   0.355
  736    HD2  PRO  97           HD2      PRO  97 -14.225   2.967   1.277
  737    HD3  PRO  97           HD1      PRO  97 -13.748   4.662   1.306
  738    H    GLY  98           HN       GLY  98 -15.846   3.218   5.841
  739    HA2  GLY  98           HA2      GLY  98 -17.515   2.084   6.988
  740    HA3  GLY  98           HA1      GLY  98 -18.581   2.319   5.616
  741    H    ILE  99           HN       ILE  99 -17.517   1.064   3.590
  742    HA   ILE  99           HA       ILE  99 -17.988  -1.650   3.969
  743    HB   ILE  99           HB       ILE  99 -16.449  -1.751   1.775
  744   HG12  ILE  99          HG12      ILE  99 -17.492   1.027   1.509
  745   HG13  ILE  99          HG11      ILE  99 -15.996   0.795   2.403
  746   HG21  ILE  99          HG21      ILE  99 -18.471  -1.258   0.468
  747   HG22  ILE  99          HG22      ILE  99 -19.222  -0.579   1.911
  748   HG23  ILE  99          HG23      ILE  99 -18.812  -2.293   1.855
  749   HD11  ILE  99          HD11      ILE  99 -15.503   1.347   0.135
  750   HD12  ILE  99          HD12      ILE  99 -16.522   0.026  -0.455
  751   HD13  ILE  99          HD13      ILE  99 -15.039  -0.330   0.441
  752    H    GLY 100           HN       GLY 100 -14.998   0.158   4.207
  753    HA2  GLY 100           HA2      GLY 100 -13.577  -2.346   4.824
  754    HA3  GLY 100           HA1      GLY 100 -12.827  -0.963   4.029